*HEADER    HORMONE                                 08-MAR-10   2KV4              
*TITLE     EGF                                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EPIDERMAL GROWTH FACTOR;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: EGF;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ORIGAMI B (DE3);                           
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET-32A                                    
*KEYWDS    EPITHERMAL GROWTH FACTOR, EGF-LIKE DOMAIN, HORMONE                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.W.HUANG, S.K.MOHAN, C.YU                                            
*REVDAT   1   23-FEB-11 2KV4    0                                                


! PHI:
assign (resid 1 and name C)
       (resid 2 and name N)
       (resid 2 and name CA)
       (resid 2 and name C)
       1 -95.17 29.13 2
assign (resid 6 and name C)
       (resid 7 and name N)
       (resid 7 and name CA)
       (resid 7 and name C)
       1 -60.89 5.49 2
assign (resid 7 and name C)
       (resid 8 and name N)
       (resid 8 and name CA)
       (resid 8 and name C)
       1 -62.71 5.86 2
assign (resid 8 and name C)
       (resid 9 and name N)
       (resid 9 and name CA)
       (resid 9 and name C)
       1 -70.91 9.79 2
assign (resid 10 and name C)
       (resid 11 and name N)
       (resid 11 and name CA)
       (resid 11 and name C)
       1 -63.36 14.28 2
assign (resid 13 and name C)
       (resid 14 and name N)
       (resid 14 and name CA)
       (resid 14 and name C)
       1 -137.56 16.86 2
assign (resid 14 and name C)
       (resid 15 and name N)
       (resid 15 and name CA)
       (resid 15 and name C)
       1 -93.94 22.35 2
assign (resid 16 and name C)
       (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       1 -72.19 15.03 2
assign (resid 18 and name C)
       (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       1 -123.39 15.41 2
assign (resid 19 and name C)
       (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       1 -114.27 8.16 2
assign (resid 20 and name C)
       (resid 21 and name N)
       (resid 21 and name CA)
       (resid 21 and name C)
       1 -123.69 14.18 2
assign (resid 21 and name C)
       (resid 22 and name N)
       (resid 22 and name CA)
       (resid 22 and name C)
       1 -103.59 17.66 2
assign (resid 22 and name C)
       (resid 23 and name N)
       (resid 23 and name CA)
       (resid 23 and name C)
       1 -99.53 18.64 2
assign (resid 23 and name C)
       (resid 24 and name N)
       (resid 24 and name CA)
       (resid 24 and name C)
       1 -58.74 7.21 2
assign (resid 24 and name C)
       (resid 25 and name N)
       (resid 25 and name CA)
       (resid 25 and name C)
       1 -70.08 8.17 2
assign (resid 25 and name C)
       (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       1 -95.55 15.29 2
assign (resid 27 and name C)
       (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       1 -127.51 19.33 2
assign (resid 28 and name C)
       (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       1 -106.58 25.9 2
assign (resid 29 and name C)
       (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       1 -119.37 12.03 2
assign (resid 30 and name C)
       (resid 31 and name N)
       (resid 31 and name CA)
       (resid 31 and name C)
       1 -123.72 12.32 2
assign (resid 31 and name C)
       (resid 32 and name N)
       (resid 32 and name CA)
       (resid 32 and name C)
       1 -103.54 17.08 2
assign (resid 32 and name C)
       (resid 33 and name N)
       (resid 33 and name CA)
       (resid 33 and name C)
       1 -122.79 13.38 2
assign (resid 33 and name C)
       (resid 34 and name N)
       (resid 34 and name CA)
       (resid 34 and name C)
       1 -87.64 25.44 2
assign (resid 34 and name C)
       (resid 35 and name N)
       (resid 35 and name CA)
       (resid 35 and name C)
       1 -85.59 18.46 2
assign (resid 36 and name C)
       (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       1 -110.7 22.21 2
assign (resid 37 and name C)
       (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       1 -134.99 15.84 2
assign (resid 38 and name C)
       (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       1 -102.04 29.98 2
assign (resid 39 and name C)
       (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       1 -70.26 9.12 2
assign (resid 40 and name C)
       (resid 41 and name N)
       (resid 41 and name CA)
       (resid 41 and name C)
       1 -100.29 16.33 2
assign (resid 41 and name C)
       (resid 42 and name N)
       (resid 42 and name CA)
       (resid 42 and name C)
       1 -129.94 18.13 2
assign (resid 42 and name C)
       (resid 43 and name N)
       (resid 43 and name CA)
       (resid 43 and name C)
       1 -82.68 14.06 2
assign (resid 43 and name C)
       (resid 44 and name N)
       (resid 44 and name CA)
       (resid 44 and name C)
       1 -100.46 25.1 2
assign (resid 44 and name C)
       (resid 45 and name N)
       (resid 45 and name CA)
       (resid 45 and name C)
       1 -99.13 26.1 2
assign (resid 45 and name C)
       (resid 46 and name N)
       (resid 46 and name CA)
       (resid 46 and name C)
       1 -78.01 19.54 2
assign (resid 46 and name C)
       (resid 47 and name N)
       (resid 47 and name CA)
       (resid 47 and name C)
       1 -59.97 4.86 2
assign (resid 47 and name C)
       (resid 48 and name N)
       (resid 48 and name CA)
       (resid 48 and name C)
       1 -65.28 11.41 2
assign (resid 48 and name C)
       (resid 49 and name N)
       (resid 49 and name CA)
       (resid 49 and name C)
       1 -61.07 5.35 2
assign (resid 49 and name C)
       (resid 50 and name N)
       (resid 50 and name CA)
       (resid 50 and name C)
       1 -69.68 12.08 2
assign (resid 50 and name C)
       (resid 51 and name N)
       (resid 51 and name CA)
       (resid 51 and name C)
       1 -69.55 9.91 2  
! PSI
assign (resid 2 and name N)
       (resid 2 and name CA)
       (resid 2 and name C)
       (resid 3 and name N)
       1 139.56 17.94 2
assign (resid 7 and name N)
       (resid 7 and name CA)
       (resid 7 and name C)
       (resid 8 and name N)
       1 143.3 7.25 2
assign (resid 8 and name N)
       (resid 8 and name CA)
       (resid 8 and name C)
       (resid 9 and name N)
       1 -29.84 8.83 2
assign (resid 9 and name N)
       (resid 9 and name CA)
       (resid 9 and name C)
       (resid 10 and name N)
       1 -22.74 17.39 2
assign (resid 11 and name N)
       (resid 11 and name CA)
       (resid 11 and name C)
       (resid 12 and name N)
       1 132.43 5.98 2
assign (resid 14 and name N)
       (resid 14 and name CA)
       (resid 14 and name C)
       (resid 15 and name N)
       1 141.56 13.47 2
assign (resid 15 and name N)
       (resid 15 and name CA)
       (resid 15 and name C)
       (resid 16 and name N)
       1 132.00 28.89 2
assign (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       (resid 18 and name N)
       1 -10.93 19.33 2
assign (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       (resid 20 and name N)
       1 124.84 9.12 2
assign (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       (resid 21 and name N)
       1 122.2 5.67 2
assign (resid 21 and name N)
       (resid 21 and name CA)
       (resid 21 and name C)
       (resid 22 and name N)
       1 127.12 12.95 2
assign (resid 22 and name N)
       (resid 22 and name CA)
       (resid 22 and name C)
       (resid 23 and name N)
       1 120.93 8.84 2
assign (resid 23 and name N)
       (resid 23 and name CA)
       (resid 23 and name C)
       (resid 24 and name N)
       1 111.08 20.28 2
assign (resid 24 and name N)
       (resid 24 and name CA)
       (resid 24 and name C)
       (resid 25 and name N)
       1 -32.83 12.45 2
assign (resid 25 and name N)
       (resid 25 and name CA)
       (resid 25 and name C)
       (resid 26 and name N)
       1 -24.58 14.04 2
assign (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       (resid 27 and name N)
       1 -2.53 15.66 2
assign (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       (resid 29 and name N)
       1 145.59 17.9 2
assign (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       (resid 30 and name N)
       1 125.13 10.84 2
assign (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       (resid 31 and name N)
       1 142.55 10.94 2
assign (resid 31 and name N)
       (resid 31 and name CA)
       (resid 31 and name C)
       (resid 32 and name N)
       1 128.96 9.58 2
assign (resid 32 and name N)
       (resid 32 and name CA)
       (resid 32 and name C)
       (resid 33 and name N)
       1 121.56 8.11 2
assign (resid 33 and name N)
       (resid 33 and name CA)
       (resid 33 and name C)
       (resid 34 and name N)
       1 133.47 12.76 2
assign (resid 34 and name N)
       (resid 34 and name CA)
       (resid 34 and name C)
       (resid 35 and name N)
       1 137.33 9.05 2
assign (resid 35 and name N)
       (resid 35 and name CA)
       (resid 35 and name C)
       (resid 36 and name N)
       1 125.64 13.44 2
assign (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       (resid 38 and name N)
       1 137.22 9.02 2
assign (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       (resid 39 and name N)
       1 153.83 13.15 2
assign (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       (resid 40 and name N)
       1 125.29 16.33 2
assign (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       (resid 41 and name N)
       1 -23.54 9.34 2
assign (resid 41 and name N)
       (resid 41 and name CA)
       (resid 41 and name C)
       (resid 42 and name N)
       1 -11.88 29.46 2
assign (resid 42 and name N)
       (resid 42 and name CA)
       (resid 42 and name C)
       (resid 43 and name N)
       1 161.59 11.56 2
assign (resid 43 and name N)
       (resid 43 and name CA)
       (resid 43 and name C)
       (resid 44 and name N)
       1 135.1 13.12 2
assign (resid 44 and name N)
       (resid 44 and name CA)
       (resid 44 and name C)
       (resid 45 and name N)
       1 133.36 17.07 2
assign (resid 45 and name N)
       (resid 45 and name CA)
       (resid 45 and name C)
       (resid 46 and name N)
       1 124.93 13.09 2
assign (resid 46 and name N)
       (resid 46 and name CA)
       (resid 46 and name C)
       (resid 47 and name N)
       1 115.56 20.08 2
assign (resid 47 and name N)
       (resid 47 and name CA)
       (resid 47 and name C)
       (resid 48 and name N)
       1 -33.92 10.13 2
assign (resid 48 and name N)
       (resid 48 and name CA)
       (resid 48 and name C)
       (resid 49 and name N)
       1 -32.04 21.5 2
assign (resid 49 and name N)
       (resid 49 and name CA)
       (resid 49 and name C)
       (resid 50 and name N)
       1 -42.55 6.25 2
assign (resid 50 and name N)
       (resid 50 and name CA)
       (resid 50 and name C)
       (resid 51 and name N)
       1 -34.09 9.42 2
assign (resid 51 and name N)
       (resid 51 and name CA)
       (resid 51 and name C)
       (resid 52 and name N)
       1 -36.76 10.43 2

 ASSI {   10}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      1.700     1.700     4.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.42832E-01 ppm1      8.741 ppm2      4.947 CV     1
 ASSI {   14}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      1.900     1.900     4.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.38698E-01 ppm1      7.658 ppm2      8.567 CV     1
 ASSI {   24}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      2.000     2.000     4.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.27697E-01 ppm1      8.582 ppm2      4.827 CV     1
 ASSI {   31}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     2.200     3.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.22080E-01 ppm1      8.473 ppm2      4.067 CV     1
 ASSI {   35}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.100     2.100     3.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.19349E-01 ppm1      8.507 ppm2      8.735 CV     1
 ASSI {   40}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      1.900     0.400     0.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17008E-01 ppm1      8.584 ppm2      4.128 CV     1
 ASSI {   42}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.300     2.300     3.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.16306E-01 ppm1      9.148 ppm2      2.983 CV     1
 ASSI {   46}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      1.900     0.400     0.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.15526E-01 ppm1      8.620 ppm2      5.065 CV     1
 ASSI {   49}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      1.800     0.400     0.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.12562E-01 ppm1      7.392 ppm2      1.187 CV     1
 ASSI {   50}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.100     2.100     3.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.12249E-01 ppm1      8.507 ppm2      3.782 CV     1
 ASSI {   53}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.000     0.500     0.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11781E-01 ppm1      8.199 ppm2      4.505 CV     1
 ASSI {   58}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     2.300     3.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.92845E-02 ppm1      8.581 ppm2      2.760 CV     1
 ASSI {   71}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.300     2.300     3.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.74355E-02 ppm1      8.506 ppm2      4.646 CV     1
 ASSI {   74}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.65071E-02 ppm1      8.267 ppm2      2.224 CV     1
 ASSI {   76}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.60156E-02 ppm1      8.581 ppm2      3.854 CV     1
 ASSI {   77}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.59920E-02 ppm1      8.266 ppm2      1.199 CV     1
 ASSI {   84}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.50791E-02 ppm1      9.237 ppm2      2.318 CV     1
 ASSI {   85}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.49620E-02 ppm1      8.201 ppm2      2.198 CV     1
 ASSI {   90}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.43067E-02 ppm1      7.335 ppm2      4.132 CV     1
 ASSI {   93}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.600     0.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.41742E-02 ppm1      8.508 ppm2      2.176 CV     1
 ASSI {   95}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.000     3.000     3.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.41272E-02 ppm1      6.351 ppm2      2.222 CV     1
 ASSI {   96}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     3.000     3.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.40883E-02 ppm1      7.140 ppm2      4.918 CV     1
 ASSI {   97}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.39869E-02 ppm1      7.334 ppm2      1.401 CV     1
 ASSI {   99}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.200     0.600     0.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.37294E-02 ppm1      8.203 ppm2      2.005 CV     1
 ASSI {  100}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.37138E-02 ppm1      8.582 ppm2      7.932 CV     1
 ASSI {  105}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.600     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.34173E-02 ppm1      6.347 ppm2      1.137 CV     1
 ASSI {  110}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.30272E-02 ppm1      8.653 ppm2      2.463 CV     1
 ASSI {  112}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.300     1.300     1.300 peak   112 spectrum    1 weight  0.10000E+01 volume  0.29492E-02 ppm1      8.046 ppm2      1.465 CV     1
 ASSI {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.29024E-02 ppm1      8.507 ppm2      4.180 CV     1
 ASSI {  120}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.26449E-02 ppm1      7.360 ppm2      1.452 CV     1
 ASSI {  132}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.400     0.700     0.700 peak   132 spectrum    1 weight  0.10000E+01 volume  0.24420E-02 ppm1      6.649 ppm2      1.095 CV     1
 ASSI {  134}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     2.900     3.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      7.140 ppm2      2.171 CV     1
 ASSI {  137}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.23406E-02 ppm1      8.423 ppm2      2.465 CV     1
 ASSI {  139}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.23328E-02 ppm1      7.139 ppm2      4.105 CV     1
 ASSI {  145}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.22002E-02 ppm1      7.139 ppm2      2.763 CV     1
 ASSI {  146}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     2.800     3.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.21924E-02 ppm1      7.334 ppm2      3.866 CV     1
 ASSI {  147}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.000     1.100     1.100 peak   147 spectrum    1 weight  0.10000E+01 volume  0.21534E-02 ppm1      8.651 ppm2      1.860 CV     1
 ASSI {  149}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      2.600     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.20910E-02 ppm1      8.102 ppm2      1.546 CV     1
 OR {  149}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  153}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.20130E-02 ppm1      7.678 ppm2      6.314 CV     1
 ASSI {  160}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.500     1.600     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.19739E-02 ppm1      8.420 ppm2      1.085 CV     1
 ASSI {  161}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.19583E-02 ppm1      8.649 ppm2      2.761 CV     1
 ASSI {  162}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.19583E-02 ppm1      7.647 ppm2      4.062 CV     1
 ASSI {  165}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     2.900     3.100 peak   165 spectrum    1 weight  0.10000E+01 volume  0.19427E-02 ppm1      7.912 ppm2      2.591 CV     1
 ASSI {  169}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.900     2.900     3.100 peak   169 spectrum    1 weight  0.10000E+01 volume  0.18335E-02 ppm1      8.745 ppm2      1.235 CV     1
 ASSI {  172}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      7.139 ppm2      2.483 CV     1
 ASSI {  177}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.900     1.100     1.100 peak   177 spectrum    1 weight  0.10000E+01 volume  0.17555E-02 ppm1      7.678 ppm2      1.128 CV     1
 ASSI {  178}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.17087E-02 ppm1      8.583 ppm2      9.152 CV     1
 ASSI {  179}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.100     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.17087E-02 ppm1      8.323 ppm2      2.452 CV     1
 ASSI {  181}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.16852E-02 ppm1      8.045 ppm2      3.920 CV     1
 ASSI {  186}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 48   and name HE2 ))
      2.800     2.800     3.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.16619E-02 ppm1      8.775 ppm2      2.556 CV     1
 ASSI {  188}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.16463E-02 ppm1      7.357 ppm2      2.925 CV     1
 ASSI {  189}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16463E-02 ppm1      8.050 ppm2      1.420 CV     1
 ASSI {  196}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.200     2.200     3.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.15916E-02 ppm1      7.335 ppm2      1.185 CV     1
 ASSI {  207}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 48   and name HE2 ))
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.15136E-02 ppm1      9.148 ppm2      2.542 CV     1
 ASSI {  208}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.14824E-02 ppm1      7.139 ppm2      8.638 CV     1
 ASSI {  209}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.100     1.200     1.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.14824E-02 ppm1      7.667 ppm2      1.418 CV     1
 ASSI {  217}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.14278E-02 ppm1      6.651 ppm2      3.815 CV     1
 ASSI {  218}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.14278E-02 ppm1      8.740 ppm2      5.101 CV     1
 ASSI {  219}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.300     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.14200E-02 ppm1      7.909 ppm2      8.844 CV     1
 ASSI {  220}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.400     3.400     2.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.14200E-02 ppm1      8.049 ppm2      1.996 CV     1
 ASSI {  224}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.13810E-02 ppm1      7.908 ppm2      1.917 CV     1
 ASSI {  236}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.13420E-02 ppm1      7.679 ppm2      1.391 CV     1
 ASSI {  241}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.000     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.13342E-02 ppm1      8.652 ppm2      1.535 CV     1
 ASSI {  242}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.13186E-02 ppm1      7.909 ppm2      9.143 CV     1
 ASSI {  244}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.400     0.700     0.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.13030E-02 ppm1      8.046 ppm2      1.171 CV     1
 ASSI {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.800     3.800     2.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.13030E-02 ppm1      7.678 ppm2      2.224 CV     1
 ASSI {  246}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.900     1.900     1.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.12951E-02 ppm1      9.340 ppm2      2.423 CV     1
 ASSI {  253}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.400     1.500     1.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12639E-02 ppm1      8.137 ppm2      2.549 CV     1
 ASSI {  257}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.12406E-02 ppm1      8.510 ppm2      2.467 CV     1
 ASSI {  258}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   258 spectrum    1 weight  0.10000E+01 volume  0.12406E-02 ppm1      7.360 ppm2      3.948 CV     1
 ASSI {  262}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      9.617 ppm2      3.853 CV     1
 ASSI {  263}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      8.276 ppm2      3.218 CV     1
 ASSI {  264}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.12171E-02 ppm1      9.374 ppm2      2.842 CV     1
 ASSI {  267}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      6.650 ppm2      8.428 CV     1
 ASSI {  268}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA1 ))
      3.300     1.400     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      8.052 ppm2      3.709 CV     1
 ASSI {  269}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.11859E-02 ppm1      7.647 ppm2      3.830 CV     1
 ASSI {  273}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      7.915 ppm2      3.848 CV     1
 ASSI {  278}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.11313E-02 ppm1      7.911 ppm2      2.831 CV     1
 ASSI {  279}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.600     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.11313E-02 ppm1      6.651 ppm2      4.263 CV     1
 ASSI {  281}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      6.650 ppm2      8.278 CV     1
 ASSI {  284}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.11001E-02 ppm1      7.908 ppm2      7.651 CV     1
 ASSI {  287}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.600     1.700     1.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10845E-02 ppm1      8.647 ppm2      1.292 CV     1
 ASSI {  289}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.400     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.10767E-02 ppm1      9.205 ppm2      4.345 CV     1
 ASSI {  291}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.000     1.100     1.100 peak   291 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      7.646 ppm2      2.693 CV     1
 ASSI {  293}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10611E-02 ppm1      8.660 ppm2      2.213 CV     1
 ASSI {  294}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      6.651 ppm2      2.972 CV     1
 ASSI {  299}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.10455E-02 ppm1      7.877 ppm2      1.435 CV     1
 ASSI {  304}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      3.900     1.900     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      7.878 ppm2      3.721 CV     1
 ASSI {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   305 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      9.377 ppm2      4.904 CV     1
 ASSI {  306}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      3.200     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      8.171 ppm2      1.267 CV     1
 ASSI {  309}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.400     1.400     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.10221E-02 ppm1      9.236 ppm2      1.877 CV     1
 ASSI {  312}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      8.855 ppm2      4.918 CV     1
 ASSI {  313}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      7.647 ppm2      2.065 CV     1
 ASSI {  314}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      9.616 ppm2      1.645 CV     1
 ASSI {  316}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      8.745 ppm2      2.655 CV     1
 ASSI {  318}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.99867E-03 ppm1      7.680 ppm2      6.645 CV     1
 ASSI {  319}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.99085E-03 ppm1      7.678 ppm2      2.966 CV     1
 ASSI {  322}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.100     2.100     1.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.99085E-03 ppm1      7.646 ppm2      2.988 CV     1
 ASSI {  323}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.98307E-03 ppm1      7.909 ppm2      3.812 CV     1
 ASSI {  325}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.96747E-03 ppm1      9.616 ppm2      1.246 CV     1
 ASSI {  328}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.95965E-03 ppm1      6.650 ppm2      4.524 CV     1
 ASSI {  331}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      4.000     2.000     2.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.95965E-03 ppm1      8.618 ppm2      1.354 CV     1
 ASSI {  333}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      3.600     1.600     1.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.95187E-03 ppm1      9.146 ppm2      1.254 CV     1
 ASSI {  334}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.95187E-03 ppm1      8.263 ppm2      3.899 CV     1
 ASSI {  335}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.95187E-03 ppm1      8.079 ppm2      3.353 CV     1
 ASSI {  336}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.93627E-03 ppm1      7.914 ppm2      2.134 CV     1
 ASSI {  340}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak   340 spectrum    1 weight  0.10000E+01 volume  0.92845E-03 ppm1      8.267 ppm2      2.458 CV     1
 ASSI {  343}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.900     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.92063E-03 ppm1      9.145 ppm2      1.945 CV     1
 ASSI {  344}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.900     1.900     1.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.92063E-03 ppm1      7.666 ppm2      1.990 CV     1
 ASSI {  346}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      3.300     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.91285E-03 ppm1      7.906 ppm2      1.247 CV     1
 ASSI {  348}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   348 spectrum    1 weight  0.10000E+01 volume  0.90503E-03 ppm1      8.653 ppm2      4.345 CV     1
 ASSI {  349}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.400     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.89725E-03 ppm1      8.047 ppm2      3.151 CV     1
 ASSI {  350}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     3.400     2.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.88943E-03 ppm1      9.374 ppm2      3.177 CV     1
 ASSI {  352}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.88165E-03 ppm1      7.906 ppm2      9.372 CV     1
 ASSI {  354}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.700     1.700     1.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.87383E-03 ppm1      7.614 ppm2      2.476 CV     1
 ASSI {  361}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.85044E-03 ppm1      9.238 ppm2      4.940 CV     1
 ASSI {  362}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.500     2.500     3.500 peak   362 spectrum    1 weight  0.10000E+01 volume  0.85044E-03 ppm1      7.647 ppm2      2.421 CV     1
 ASSI {  363}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     3.200     2.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.85044E-03 ppm1      8.171 ppm2      5.285 CV     1
 ASSI {  365}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.400     1.400 peak   365 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      6.339 ppm2      3.214 CV     1
 ASSI {  366}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      8.326 ppm2      3.827 CV     1
 ASSI {  368}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.600     1.700     1.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      9.617 ppm2      7.640 CV     1
 ASSI {  369}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      8.507 ppm2      7.617 CV     1
 ASSI {  370}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.83484E-03 ppm1      8.776 ppm2      3.154 CV     1
 ASSI {  371}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 48   and name HE2 ))
      4.000     2.000     2.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.83484E-03 ppm1      8.618 ppm2      2.519 CV     1
 ASSI {  376}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.80360E-03 ppm1      8.327 ppm2      4.647 CV     1
 ASSI {  378}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.80360E-03 ppm1      7.916 ppm2      2.480 CV     1
 ASSI {  379}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      3.600     1.700     1.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.79582E-03 ppm1      7.646 ppm2      1.242 CV     1
 ASSI {  382}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 18   and name HA1 ))
      3.200     1.300     1.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.78800E-03 ppm1      8.775 ppm2      4.177 CV     1
 ASSI {  383}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.78800E-03 ppm1      8.659 ppm2      6.315 CV     1
 ASSI {  389}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   389 spectrum    1 weight  0.10000E+01 volume  0.75368E-03 ppm1      8.646 ppm2      7.909 CV     1
 ASSI {  390}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.75291E-03 ppm1      6.650 ppm2      2.220 CV     1
 ASSI {  396}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.500     2.500     3.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.73418E-03 ppm1      7.572 ppm2      2.974 CV     1
 ASSI {  398}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.72405E-03 ppm1      7.879 ppm2      3.928 CV     1
 ASSI {  400}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.72247E-03 ppm1      8.050 ppm2      9.150 CV     1
 ASSI {  401}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     3.300     2.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.70764E-03 ppm1      9.204 ppm2      1.863 CV     1
 ASSI {  402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak   402 spectrum    1 weight  0.10000E+01 volume  0.70298E-03 ppm1      9.145 ppm2      4.133 CV     1
 ASSI {  403}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak   403 spectrum    1 weight  0.10000E+01 volume  0.69593E-03 ppm1      7.140 ppm2      1.307 CV     1
 ASSI {  404}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.900     1.900     1.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.69204E-03 ppm1      8.852 ppm2      1.864 CV     1
 ASSI {  405}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.68815E-03 ppm1      8.484 ppm2      7.617 CV     1
 ASSI {  407}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.200     2.200     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.68345E-03 ppm1      8.774 ppm2      2.836 CV     1
 ASSI {  408}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.200     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.67956E-03 ppm1      9.377 ppm2      1.871 CV     1
 ASSI {  412}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.000     2.000     2.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.67721E-03 ppm1      7.395 ppm2      2.009 CV     1
 ASSI {  413}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.500     1.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.67178E-03 ppm1      7.907 ppm2      9.358 CV     1
 ASSI {  415}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.66943E-03 ppm1      7.648 ppm2      8.320 CV     1
 ASSI {  416}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     1.600     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.66866E-03 ppm1      8.485 ppm2      2.495 CV     1
 ASSI {  417}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.66396E-03 ppm1      8.653 ppm2      8.275 CV     1
 ASSI {  419}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.66007E-03 ppm1      8.771 ppm2      8.572 CV     1
 ASSI {  420}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.65849E-03 ppm1      8.428 ppm2      9.205 CV     1
 ASSI {  422}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.65614E-03 ppm1      8.652 ppm2      4.633 CV     1
 ASSI {  424}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.65383E-03 ppm1      8.581 ppm2      9.620 CV     1
 ASSI {  425}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     2.300     1.700 peak   425 spectrum    1 weight  0.10000E+01 volume  0.65071E-03 ppm1      7.903 ppm2      7.147 CV     1
 ASSI {  426}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.300     2.300     1.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.65071E-03 ppm1      6.352 ppm2      2.968 CV     1
 ASSI {  427}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.300     1.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.65071E-03 ppm1      8.049 ppm2      3.342 CV     1
 ASSI {  428}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.200     2.300     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.64836E-03 ppm1      8.617 ppm2      1.255 CV     1
 ASSI {  429}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.64836E-03 ppm1      9.615 ppm2      8.336 CV     1
 ASSI {  432}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      5.000     3.100     1.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.64054E-03 ppm1      7.645 ppm2      8.568 CV     1
 ASSI {  434}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.63665E-03 ppm1      9.329 ppm2      3.818 CV     1
 ASSI {  435}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.400     1.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.63588E-03 ppm1      7.394 ppm2      8.058 CV     1
 ASSI {  437}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.500     3.500     2.500 peak   437 spectrum    1 weight  0.10000E+01 volume  0.63511E-03 ppm1      8.201 ppm2      4.308 CV     1
 ASSI {  438}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     1.900     1.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.63430E-03 ppm1      8.653 ppm2      3.854 CV     1
 ASSI {  439}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   439 spectrum    1 weight  0.10000E+01 volume  0.63430E-03 ppm1      9.242 ppm2      4.776 CV     1
 ASSI {  447}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.400     1.400 peak   447 spectrum    1 weight  0.10000E+01 volume  0.60622E-03 ppm1      8.428 ppm2      4.963 CV     1
 ASSI {  453}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.59296E-03 ppm1      7.676 ppm2      8.274 CV     1
 ASSI {  454}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.59219E-03 ppm1      6.350 ppm2      1.835 CV     1
 ASSI {  455}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   455 spectrum    1 weight  0.10000E+01 volume  0.59138E-03 ppm1      7.646 ppm2      4.654 CV     1
 ASSI {  459}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.58749E-03 ppm1      8.327 ppm2      4.033 CV     1
 ASSI {  464}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.57890E-03 ppm1      6.346 ppm2      6.650 CV     1
 ASSI {  466}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.800     1.800     1.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.56488E-03 ppm1      8.078 ppm2      1.419 CV     1
 ASSI {  468}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     1.800     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.55941E-03 ppm1      8.053 ppm2      1.996 CV     1
 ASSI {  469}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak   469 spectrum    1 weight  0.10000E+01 volume  0.55240E-03 ppm1      8.660 ppm2      8.280 CV     1
 ASSI {  474}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.500     1.500     1.500 peak   474 spectrum    1 weight  0.10000E+01 volume  0.54146E-03 ppm1      8.050 ppm2      1.825 CV     1
 ASSI {  475}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.200     1.200 peak   475 spectrum    1 weight  0.10000E+01 volume  0.53992E-03 ppm1      8.047 ppm2      5.275 CV     1
 ASSI {  476}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.700     2.700     3.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.53834E-03 ppm1      8.773 ppm2      1.884 CV     1
 ASSI {  479}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.800     1.800     1.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.53210E-03 ppm1      9.613 ppm2      3.003 CV     1
 ASSI {  480}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.400     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.53210E-03 ppm1      8.774 ppm2      4.633 CV     1
 ASSI {  488}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.800     1.800     1.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.50791E-03 ppm1      8.650 ppm2      1.979 CV     1
 ASSI {  493}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.49308E-03 ppm1      8.772 ppm2      9.375 CV     1
 ASSI {  497}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      4.000     2.000     2.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.48996E-03 ppm1      7.906 ppm2      2.994 CV     1
 ASSI {  498}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.48372E-03 ppm1      8.649 ppm2      8.480 CV     1
 ASSI {  499}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.400     2.400     1.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.47047E-03 ppm1      7.649 ppm2      1.651 CV     1
 ASSI {  501}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      4.300     2.300     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.46893E-03 ppm1      7.655 ppm2      4.837 CV     1
 ASSI {  502}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.600     1.600     1.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.46734E-03 ppm1      7.916 ppm2      3.307 CV     1
 ASSI {  505}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.46268E-03 ppm1      9.204 ppm2      8.715 CV     1
 ASSI {  508}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   508 spectrum    1 weight  0.10000E+01 volume  0.45174E-03 ppm1      8.105 ppm2      3.968 CV     1
 ASSI {  511}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.800     1.800     1.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.44862E-03 ppm1      6.655 ppm2      4.965 CV     1
 ASSI {  514}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.43768E-03 ppm1      8.046 ppm2      4.406 CV     1
 ASSI {  515}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      4.200     2.200     1.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.42990E-03 ppm1      7.678 ppm2      4.560 CV     1
 ASSI {  517}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      4.500     2.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.42755E-03 ppm1      9.143 ppm2      3.817 CV     1
 ASSI {  518}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.100     2.100     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.41977E-03 ppm1      8.650 ppm2      2.164 CV     1
 ASSI {  519}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.600     1.600     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.41896E-03 ppm1      8.659 ppm2      3.218 CV     1
 ASSI {  523}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.100     2.100     1.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.41665E-03 ppm1      8.744 ppm2      9.366 CV     1
 ASSI {  524}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.40025E-03 ppm1      7.877 ppm2      8.247 CV     1
 ASSI {  525}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.39791E-03 ppm1      7.682 ppm2      8.664 CV     1
 ASSI {  528}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      2.800     2.800     3.200 peak   528 spectrum    1 weight  0.10000E+01 volume  0.39713E-03 ppm1      7.576 ppm2      1.187 CV     1
 ASSI {  529}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.400     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.39479E-03 ppm1      7.879 ppm2      2.002 CV     1
 ASSI {  534}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA1 ))
      3.400     1.500     1.500 peak   534 spectrum    1 weight  0.10000E+01 volume  0.37216E-03 ppm1      8.080 ppm2      3.707 CV     1
 ASSI {  540}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak   540 spectrum    1 weight  0.10000E+01 volume  0.36670E-03 ppm1      8.859 ppm2      9.225 CV     1
 ASSI {  545}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      3.700     1.700     1.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.35032E-03 ppm1      8.326 ppm2      2.674 CV     1
 ASSI {  546}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.34641E-03 ppm1      9.614 ppm2      7.917 CV     1
 ASSI {  548}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.34251E-03 ppm1      6.651 ppm2      1.837 CV     1
 ASSI {  550}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.33783E-03 ppm1      7.137 ppm2      4.625 CV     1
 ASSI {  551}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.33783E-03 ppm1      8.053 ppm2      4.139 CV     1
 ASSI {  552}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      3.800     1.800     1.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.33549E-03 ppm1      8.651 ppm2      1.230 CV     1
 ASSI {  558}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.700     2.800     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30975E-03 ppm1      8.657 ppm2      4.247 CV     1
 ASSI {  560}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.28790E-03 ppm1      6.655 ppm2      2.470 CV     1
 ASSI {  561}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      5.000     3.200     1.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.28244E-03 ppm1      8.046 ppm2      2.954 CV     1
 ASSI {  564}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      4.500     2.500     1.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.27932E-03 ppm1      9.617 ppm2      4.818 CV     1
 ASSI {  565}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     3.000     3.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.27697E-03 ppm1      6.652 ppm2      3.208 CV     1
 ASSI {  568}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.100     2.100     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.25747E-03 ppm1      7.650 ppm2      3.326 CV     1
 ASSI {  570}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.800     2.900     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.25747E-03 ppm1      7.911 ppm2      3.372 CV     1
 ASSI {  571}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.25201E-03 ppm1      6.349 ppm2      8.280 CV     1
 ASSI {  575}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     2.000     2.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.23250E-03 ppm1      8.325 ppm2      7.902 CV     1
 ASSI {  577}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     3.200     2.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.17633E-03 ppm1      9.615 ppm2      4.648 CV     1
 ASSI {  584}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     6.000     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.18803E-05 ppm1      7.138 ppm2      3.725 CV     1
 ASSI {  585}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      6.000     6.000     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.12483E-05 ppm1      8.476 ppm2      1.992 CV     1
 ASSI {   17}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.000     0.500     0.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.16205E-01 ppm1      3.897 ppm2      1.427 CV     1
 ASSI {   22}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.000     2.000     4.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.14260E-01 ppm1      3.827 ppm2      7.624 CV     1
 ASSI {   23}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13435E-01 ppm1      2.099 ppm2      2.423 CV     1
 ASSI {   25}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     2.500     3.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12374E-01 ppm1      2.099 ppm2      4.065 CV     1
 ASSI {   27}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.000     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10783E-01 ppm1      4.974 ppm2      9.203 CV     1
 ASSI {   29}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     2.300     3.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10665E-01 ppm1      1.443 ppm2      3.982 CV     1
 ASSI {   40}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.200     2.200     3.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.88387E-02 ppm1      1.846 ppm2      4.017 CV     1
 ASSI {   41}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     2.200     3.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.87800E-02 ppm1      2.596 ppm2      8.448 CV     1
 ASSI {   43}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.600     2.600     3.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.86621E-02 ppm1      3.843 ppm2      1.159 CV     1
 ASSI {   47}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.200     0.600     0.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.81904E-02 ppm1      3.725 ppm2      8.651 CV     1
 ASSI {   52}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     2.500     3.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.77783E-02 ppm1      3.863 ppm2      8.476 CV     1
 ASSI {   55}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.200     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.71299E-02 ppm1      3.827 ppm2      2.839 CV     1
 ASSI {   63}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HG2 ))
      2.500     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.63049E-02 ppm1      2.072 ppm2      2.422 CV     1
 ASSI {   68}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.000     0.500     0.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.60694E-02 ppm1      1.403 ppm2      1.107 CV     1
 ASSI {   73}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.58219E-02 ppm1      4.777 ppm2      1.907 CV     1
 ASSI {   75}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.56508E-02 ppm1      4.180 ppm2      2.485 CV     1
 ASSI {   76}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.300     0.700     0.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.56038E-02 ppm1      4.558 ppm2      8.216 CV     1
 ASSI {   77}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.55508E-02 ppm1      1.443 ppm2      7.392 CV     1
 ASSI {   80}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.53445E-02 ppm1      4.148 ppm2      1.401 CV     1
 ASSI {   82}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.52679E-02 ppm1      4.342 ppm2      2.485 CV     1
 ASSI {   85}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.52148E-02 ppm1      3.725 ppm2      8.476 CV     1
 ASSI {   86}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.52092E-02 ppm1      2.596 ppm2      4.976 CV     1
 ASSI {   91}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.100     0.500     0.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.48201E-02 ppm1      1.280 ppm2      8.499 CV     1
 ASSI {   93}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.300     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.46609E-02 ppm1      1.535 ppm2      1.113 CV     1
 ASSI {   96}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.45312E-02 ppm1      4.338 ppm2      8.274 CV     1
 ASSI {   98}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.45077E-02 ppm1      4.558 ppm2      8.135 CV     1
 ASSI {   99}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     3.000     3.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.44781E-02 ppm1      2.102 ppm2      9.338 CV     1
 ASSI {  104}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.43545E-02 ppm1      3.820 ppm2      7.680 CV     1
 ASSI {  105}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG2 ))
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.43367E-02 ppm1      2.363 ppm2      1.361 CV     1
 ASSI {  106}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     3.100     2.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.43075E-02 ppm1      1.436 ppm2      3.883 CV     1
 ASSI {  110}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.42192E-02 ppm1      4.340 ppm2      2.853 CV     1
 ASSI {  112}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      1.600     0.300     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.41779E-02 ppm1      4.708 ppm2      3.843 CV     1
 ASSI {  114}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.41426E-02 ppm1      1.159 ppm2      2.099 CV     1
 ASSI {  116}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.41304E-02 ppm1      4.149 ppm2      1.416 CV     1
 ASSI {  120}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.40717E-02 ppm1      4.730 ppm2      9.200 CV     1
 ASSI {  121}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      2.700     2.700     3.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.40481E-02 ppm1      3.726 ppm2      1.996 CV     1
 ASSI {  124}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.39008E-02 ppm1      4.261 ppm2      1.307 CV     1
 ASSI {  125}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG2 ))
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.38713E-02 ppm1      1.525 ppm2      1.110 CV     1
 ASSI {  127}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.300     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.38419E-02 ppm1      2.955 ppm2      7.392 CV     1
 ASSI {  129}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.36887E-02 ppm1      3.998 ppm2      2.959 CV     1
 ASSI {  131}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.36651E-02 ppm1      3.925 ppm2      3.039 CV     1
 ASSI {  136}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.35355E-02 ppm1      2.351 ppm2      1.902 CV     1
 ASSI {  137}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.35355E-02 ppm1      4.001 ppm2      7.393 CV     1
 ASSI {  138}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.35355E-02 ppm1      4.898 ppm2      8.767 CV     1
 ASSI {  140}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.34884E-02 ppm1      3.929 ppm2      7.661 CV     1
 ASSI {  141}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     3.300     2.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.34471E-02 ppm1      4.831 ppm2      3.827 CV     1
 ASSI {  142}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.34412E-02 ppm1      4.076 ppm2      8.663 CV     1
 ASSI {  143}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.34294E-02 ppm1      1.586 ppm2      8.102 CV     1
 ASSI {  144}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      4.338 ppm2      3.126 CV     1
 ASSI {  149}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.30346E-02 ppm1      5.103 ppm2      9.381 CV     1
 ASSI {  150}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.30111E-02 ppm1      3.862 ppm2      8.642 CV     1
 ASSI {  156}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.29521E-02 ppm1      3.866 ppm2      8.291 CV     1
 ASSI {  157}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.29463E-02 ppm1      4.730 ppm2      8.753 CV     1
 ASSI {  163}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.27636E-02 ppm1      2.839 ppm2      7.622 CV     1
 ASSI {  164}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.27223E-02 ppm1      4.776 ppm2      8.647 CV     1
 ASSI {  168}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.26693E-02 ppm1      1.403 ppm2      7.392 CV     1
 ASSI {  169}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     3.100     2.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.26575E-02 ppm1      2.570 ppm2      7.867 CV     1
 ASSI {  173}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.200     0.600     0.600 peak   173 spectrum    1 weight  0.10000E+01 volume  0.25868E-02 ppm1      3.338 ppm2      3.841 CV     1
 ASSI {  174}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.25809E-02 ppm1      4.148 ppm2      8.174 CV     1
 ASSI {  177}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.25338E-02 ppm1      4.184 ppm2      8.868 CV     1
 ASSI {  180}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1      2.539 ppm2      8.211 CV     1
 ASSI {  181}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24513E-02 ppm1      4.065 ppm2      2.072 CV     1
 ASSI {  182}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23864E-02 ppm1      1.208 ppm2      3.890 CV     1
 ASSI {  183}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.23806E-02 ppm1      1.283 ppm2      1.939 CV     1
 ASSI {  185}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.23570E-02 ppm1      4.708 ppm2      7.910 CV     1
 ASSI {  187}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.23217E-02 ppm1      4.529 ppm2      8.439 CV     1
 ASSI {  188}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.23040E-02 ppm1      2.797 ppm2      4.065 CV     1
 ASSI {  190}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.21920E-02 ppm1      3.729 ppm2      8.477 CV     1
 ASSI {  191}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.21861E-02 ppm1      4.342 ppm2      7.870 CV     1
 ASSI {  193}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.21566E-02 ppm1      2.104 ppm2      8.333 CV     1
 ASSI {  194}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.21390E-02 ppm1      2.988 ppm2      3.827 CV     1
 ASSI {  199}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.100     1.100 peak   199 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      2.072 ppm2      9.329 CV     1
 ASSI {  201}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.20683E-02 ppm1      3.929 ppm2      2.011 CV     1
 ASSI {  207}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.20152E-02 ppm1      1.868 ppm2      3.236 CV     1
 ASSI {  213}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      4.417 ppm2      8.102 CV     1
 ASSI {  217}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.18797E-02 ppm1      3.726 ppm2      2.157 CV     1
 ASSI {  221}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      1.281 ppm2      7.915 CV     1
 ASSI {  223}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.18267E-02 ppm1      2.958 ppm2      3.925 CV     1
 ASSI {  225}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.17972E-02 ppm1      1.846 ppm2      7.576 CV     1
 ASSI {  228}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      1.579 ppm2      8.102 CV     1
 ASSI {  229}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.400     1.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      1.362 ppm2      4.148 CV     1
 ASSI {  230}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.17560E-02 ppm1      5.289 ppm2      9.145 CV     1
 ASSI {  232}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      4.180 ppm2      7.913 CV     1
 ASSI {  234}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      1.867 ppm2      8.291 CV     1
 ASSI {  244}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.16440E-02 ppm1      4.311 ppm2      8.247 CV     1
 ASSI {  249}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     3.100     2.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15851E-02 ppm1      4.340 ppm2      1.851 CV     1
 ASSI {  250}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.15556E-02 ppm1      1.374 ppm2      7.912 CV     1
 ASSI {  253}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.15144E-02 ppm1      3.095 ppm2      8.868 CV     1
 ASSI {  254}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.15026E-02 ppm1      1.846 ppm2      7.394 CV     1
 ASSI {  255}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.000     1.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.15026E-02 ppm1      4.977 ppm2      2.474 CV     1
 ASSI {  263}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.13847E-02 ppm1      4.529 ppm2      1.536 CV     1
 OR {  263}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
 ASSI {  272}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      4.619 ppm2      8.562 CV     1
 ASSI {  273}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.12964E-02 ppm1      1.535 ppm2      6.657 CV     1
 ASSI {  274}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.12904E-02 ppm1      4.896 ppm2      2.865 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12787E-02 ppm1      4.311 ppm2      1.988 CV     1
 ASSI {  277}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.200     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.12492E-02 ppm1      4.340 ppm2      2.206 CV     1
 ASSI {  281}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.12374E-02 ppm1      4.264 ppm2      7.686 CV     1
 ASSI {  283}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      4.708 ppm2      1.939 CV     1
 ASSI {  286}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.300     2.300     3.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.12080E-02 ppm1      2.099 ppm2      2.607 CV     1
 ASSI {  289}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.11608E-02 ppm1      2.020 ppm2      7.577 CV     1
 ASSI {  290}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.11549E-02 ppm1      4.166 ppm2      7.903 CV     1
 ASSI {  293}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     0.900     0.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      3.355 ppm2      7.665 CV     1
 ASSI {  295}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   295 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      5.289 ppm2      2.835 CV     1
 ASSI {  296}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      3.900     1.900     1.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11313E-02 ppm1      3.929 ppm2      1.434 CV     1
 ASSI {  297}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11255E-02 ppm1      3.926 ppm2      7.577 CV     1
 ASSI {  299}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      2.020 ppm2      4.018 CV     1
 ASSI {  306}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      1.887 ppm2      7.908 CV     1
 ASSI {  308}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.10665E-02 ppm1      2.005 ppm2      8.560 CV     1
 ASSI {  309}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   309 spectrum    1 weight  0.10000E+01 volume  0.10606E-02 ppm1      1.427 ppm2      8.247 CV     1
 ASSI {  311}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 19   and name HB  ))
      3.700     1.700     1.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      2.862 ppm2      1.884 CV     1
 ASSI {  313}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   313 spectrum    1 weight  0.10000E+01 volume  0.10371E-02 ppm1      4.185 ppm2      7.906 CV     1
 ASSI {  316}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10253E-02 ppm1      3.729 ppm2      7.625 CV     1
 ASSI {  318}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.10194E-02 ppm1      5.076 ppm2      3.017 CV     1
 ASSI {  333}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.700     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.96638E-03 ppm1      3.358 ppm2      1.434 CV     1
 ASSI {  337}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100 peak   337 spectrum    1 weight  0.10000E+01 volume  0.94871E-03 ppm1      4.264 ppm2      6.363 CV     1
 ASSI {  338}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   338 spectrum    1 weight  0.10000E+01 volume  0.94279E-03 ppm1      3.929 ppm2      8.558 CV     1
 ASSI {  339}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.94279E-03 ppm1      4.261 ppm2      1.098 CV     1
 ASSI {  346}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.93100E-03 ppm1      4.618 ppm2      3.165 CV     1
 ASSI {  349}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.92513E-03 ppm1      3.238 ppm2      2.202 CV     1
 ASSI {  352}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      3.100     1.200     1.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.91333E-03 ppm1      4.529 ppm2      1.110 CV     1
 ASSI {  356}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.89567E-03 ppm1      1.403 ppm2      4.261 CV     1
 ASSI {  360}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.87208E-03 ppm1      1.283 ppm2      8.765 CV     1
 ASSI {  363}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.84262E-03 ppm1      2.835 ppm2      9.149 CV     1
 ASSI {  374}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
      3.300     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.78958E-03 ppm1      4.182 ppm2      1.886 CV     1
 ASSI {  377}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.78370E-03 ppm1      4.149 ppm2      5.286 CV     1
 ASSI {  379}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.300     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.76012E-03 ppm1      4.557 ppm2      2.591 CV     1
 ASSI {  380}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   380 spectrum    1 weight  0.10000E+01 volume  0.76012E-03 ppm1      4.708 ppm2      9.148 CV     1
 ASSI {  383}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.73658E-03 ppm1      4.675 ppm2      2.095 CV     1
 ASSI {  389}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.71887E-03 ppm1      4.936 ppm2      3.136 CV     1
 ASSI {  393}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.70712E-03 ppm1      4.067 ppm2      9.337 CV     1
 ASSI {  396}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.70120E-03 ppm1      1.197 ppm2      3.891 CV     1
 ASSI {  397}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      4.100     2.100     1.900 peak   397 spectrum    1 weight  0.10000E+01 volume  0.70120E-03 ppm1      3.240 ppm2      7.691 CV     1
 ASSI {  409}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG2 ))
      3.800     1.800     1.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.65407E-03 ppm1      4.065 ppm2      2.426 CV     1
 ASSI {  412}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak   412 spectrum    1 weight  0.10000E+01 volume  0.63049E-03 ppm1      1.403 ppm2      6.366 CV     1
 ASSI {  422}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.200     1.200 peak   422 spectrum    1 weight  0.10000E+01 volume  0.57218E-03 ppm1      3.927 ppm2      9.632 CV     1
 ASSI {  429}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.55625E-03 ppm1      1.613 ppm2      3.867 CV     1
 ASSI {  430}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.55447E-03 ppm1      4.167 ppm2      7.136 CV     1
 ASSI {  431}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   431 spectrum    1 weight  0.10000E+01 volume  0.55155E-03 ppm1      3.929 ppm2      3.356 CV     1
 ASSI {  434}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   434 spectrum    1 weight  0.10000E+01 volume  0.54742E-03 ppm1      3.168 ppm2      8.562 CV     1
 ASSI {  435}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.54563E-03 ppm1      4.827 ppm2      7.922 CV     1
 ASSI {  450}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HD2 ))
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.41953E-03 ppm1      1.159 ppm2      2.698 CV     1
 ASSI {  453}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.40599E-03 ppm1      1.535 ppm2      8.452 CV     1
 ASSI {  454}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.600     2.700     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.40187E-03 ppm1      2.835 ppm2      7.631 CV     1
 ASSI {  464}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.900     1.900     1.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.25868E-03 ppm1      4.342 ppm2      2.570 CV     1
 ASSI {  471}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.19917E-03 ppm1      4.831 ppm2      9.340 CV     1
 ASSI {  486}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.11373E-03 ppm1      1.586 ppm2      8.046 CV     1
 ASSI {  493}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.800     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.29816E-04 ppm1      1.610 ppm2      6.657 CV     1
 ASSI {  494}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG  ))
      6.000     4.700     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.22274E-04 ppm1      3.897 ppm2      1.577 CV     1
 ASSI {  498}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.12256E-04 ppm1      2.834 ppm2      8.512 CV     1
 ASSI {  504}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     6.000     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.33116E-05 ppm1      1.586 ppm2      3.982 CV     1
 ASSI {  505}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.30052E-05 ppm1      1.867 ppm2      8.661 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           H1       ASN   1  13.519  -8.867   4.793
    2    H2   ASN   1           H2       ASN   1  13.811  -9.635   6.281
    3    H3   ASN   1           H3       ASN   1  15.007  -9.634   5.081
    4    HA   ASN   1           HA       ASN   1  15.500  -8.064   6.849
    5    HB2  ASN   1           HB2      ASN   1  14.808  -6.735   4.219
    6    HB3  ASN   1           HB3      ASN   1  15.918  -6.103   5.427
    7   HD21  ASN   1          HD21      ASN   1  17.662  -6.067   4.037
    8   HD22  ASN   1          HD22      ASN   1  18.436  -7.502   3.460
    9    H    SER   2           HN       SER   2  12.363  -7.739   5.377
   10    HA   SER   2           HA       SER   2  10.506  -6.587   5.847
   11    HB2  SER   2           HB2      SER   2   9.981  -6.036   8.207
   12    HB3  SER   2           HB3      SER   2  10.539  -7.691   8.014
   13    HG   SER   2           HG       SER   2  12.683  -6.271   8.501
   14    H    ASP   3           HN       ASP   3  12.096  -5.245   4.431
   15    HA   ASP   3           HA       ASP   3  12.961  -2.775   5.685
   16    HB2  ASP   3           HB2      ASP   3  14.276  -4.023   3.916
   17    HB3  ASP   3           HB3      ASP   3  13.047  -3.533   2.758
   18    H    SER   4           HN       SER   4  11.403  -1.390   6.143
   19    HA   SER   4           HA       SER   4   9.603  -0.553   3.969
   20    HB2  SER   4           HB2      SER   4   8.786  -0.838   6.875
   21    HB3  SER   4           HB3      SER   4   7.748  -0.388   5.523
   22    HG   SER   4           HG       SER   4   9.001  -2.720   5.026
   23    H    GLU   5           HN       GLU   5  12.130   0.508   4.931
   24    HA   GLU   5           HA       GLU   5  11.343   2.804   6.548
   25    HB2  GLU   5           HB2      GLU   5  13.341   1.372   7.164
   26    HB3  GLU   5           HB3      GLU   5  14.150   2.042   5.751
   27    HG2  GLU   5           HG2      GLU   5  13.792   4.308   6.690
   28    HG3  GLU   5           HG3      GLU   5  13.138   3.558   8.143
   29    H    CYS   6           HN       CYS   6  10.226   3.879   4.817
   30    HA   CYS   6           HA       CYS   6  12.163   5.699   3.620
   31    HB2  CYS   6           HB2      CYS   6  11.063   5.835   1.504
   32    HB3  CYS   6           HB3      CYS   6  11.321   4.128   1.823
   33    HA   PRO   7           HA       PRO   7   9.479   7.252   7.021
   34    HB2  PRO   7           HB2      PRO   7  11.060   9.654   6.200
   35    HB3  PRO   7           HB3      PRO   7  10.622   9.098   7.819
   36    HG2  PRO   7           HG2      PRO   7  13.049   8.621   6.754
   37    HG3  PRO   7           HG3      PRO   7  12.254   7.482   7.853
   38    HD2  PRO   7           HD2      PRO   7  12.790   7.223   4.985
   39    HD3  PRO   7           HD3      PRO   7  12.347   5.975   6.164
   40    H    LEU   8           HN       LEU   8  10.009  10.198   5.280
   41    HA   LEU   8           HA       LEU   8   7.181  10.706   5.313
   42    HB2  LEU   8           HB2      LEU   8   9.465  12.352   4.238
   43    HB3  LEU   8           HB3      LEU   8   7.819  12.906   4.448
   44    HG   LEU   8           HG       LEU   8   9.670  12.034   6.669
   45   HD11  LEU   8          HD11      LEU   8   9.658  14.395   7.305
   46   HD12  LEU   8          HD12      LEU   8  10.344  14.157   5.698
   47   HD13  LEU   8          HD13      LEU   8   8.700  14.774   5.874
   48   HD21  LEU   8          HD21      LEU   8   7.336  11.542   7.175
   49   HD22  LEU   8          HD22      LEU   8   7.926  12.877   8.167
   50   HD23  LEU   8          HD23      LEU   8   6.889  13.201   6.777
   51    H    SER   9           HN       SER   9   8.947   8.978   3.310
   52    HA   SER   9           HA       SER   9   7.922  10.024   0.798
   53    HB2  SER   9           HB2      SER   9   9.951   7.828   1.276
   54    HB3  SER   9           HB3      SER   9   9.554   8.573  -0.273
   55    HG   SER   9           HG       SER   9  10.286  10.590   0.654
   56    H    HIS  10           HN       HIS  10   7.548   7.410   3.060
   57    HA   HIS  10           HA       HIS  10   6.425   5.524   1.262
   58    HB2  HIS  10           HB2      HIS  10   5.959   4.199   3.122
   59    HB3  HIS  10           HB3      HIS  10   7.288   5.181   3.706
   60    HD1  HIS  10           HD1      HIS  10   6.029   7.595   4.933
   61    HD2  HIS  10           HD2      HIS  10   4.256   3.844   5.133
   62    HE1  HIS  10           HE1      HIS  10   4.451   7.694   6.876
   63    HE2  HIS  10           HE2      HIS  10   3.226   5.493   6.824
   64    H    ASP  11           HN       ASP  11   5.196   8.193   3.041
   65    HA   ASP  11           HA       ASP  11   2.443   7.664   2.247
   66    HB2  ASP  11           HB2      ASP  11   1.931   9.493   3.797
   67    HB3  ASP  11           HB3      ASP  11   2.978   8.283   4.549
   68    H    GLY  12           HN       GLY  12   5.121   9.057   1.007
   69    HA2  GLY  12           HA1      GLY  12   3.773  11.351  -0.222
   70    HA3  GLY  12           HA2      GLY  12   5.508  11.050  -0.231
   71    H    TYR  13           HN       TYR  13   5.579   8.429  -1.054
   72    HA   TYR  13           HA       TYR  13   5.398   8.585  -3.831
   73    HB2  TYR  13           HB2      TYR  13   5.704   6.370  -1.907
   74    HB3  TYR  13           HB3      TYR  13   5.363   5.964  -3.577
   75    HD1  TYR  13           HD2      TYR  13   6.991   6.783  -5.357
   76    HD2  TYR  13           HD1      TYR  13   7.875   6.917  -1.196
   77    HE1  TYR  13           HE2      TYR  13   9.392   6.952  -5.874
   78    HE2  TYR  13           HE1      TYR  13  10.272   7.086  -1.704
   79    HH   TYR  13           HH       TYR  13  11.469   7.792  -4.783
   80    H    CYS  14           HN       CYS  14   2.986   7.857  -1.491
   81    HA   CYS  14           HA       CYS  14   1.175   6.992  -3.625
   82    HB2  CYS  14           HB2      CYS  14   1.579   5.857  -0.885
   83    HB3  CYS  14           HB3      CYS  14   0.065   5.604  -1.764
   84    H    LEU  15           HN       LEU  15  -1.032   6.812  -1.483
   85    HA   LEU  15           HA       LEU  15  -1.702   9.625  -2.022
   86    HB2  LEU  15           HB2      LEU  15  -3.570   7.267  -2.096
   87    HB3  LEU  15           HB3      LEU  15  -3.966   8.926  -2.508
   88    HG   LEU  15           HG       LEU  15  -2.064   7.128  -4.007
   89   HD11  LEU  15          HD11      LEU  15  -4.396   6.519  -4.315
   90   HD12  LEU  15          HD12      LEU  15  -4.796   8.189  -4.717
   91   HD13  LEU  15          HD13      LEU  15  -3.750   7.252  -5.784
   92   HD21  LEU  15          HD21      LEU  15  -1.339   9.464  -4.073
   93   HD22  LEU  15          HD22      LEU  15  -1.945   8.939  -5.644
   94   HD23  LEU  15          HD23      LEU  15  -2.947   9.953  -4.606
   95    H    HIS  16           HN       HIS  16  -3.470   7.122  -0.204
   96    HA   HIS  16           HA       HIS  16  -4.162   9.327   1.611
   97    HB2  HIS  16           HB2      HIS  16  -5.797   7.107   0.476
   98    HB3  HIS  16           HB3      HIS  16  -6.243   7.791   2.038
   99    HD1  HIS  16           HD1      HIS  16  -7.653   9.824   1.976
  100    HD2  HIS  16           HD2      HIS  16  -5.689   9.188  -1.630
  101    HE1  HIS  16           HE1      HIS  16  -8.534  11.578   0.409
  102    HE2  HIS  16           HE2      HIS  16  -7.138  11.333  -1.673
  103    H    ASP  17           HN       ASP  17  -1.961   7.582   1.851
  104    HA   ASP  17           HA       ASP  17  -1.731   7.585   4.543
  105    HB2  ASP  17           HB2      ASP  17  -3.447   5.686   4.448
  106    HB3  ASP  17           HB3      ASP  17  -2.178   4.717   3.699
  107    H    GLY  18           HN       GLY  18  -1.054   5.513   1.773
  108    HA2  GLY  18           HA1      GLY  18   0.894   4.803   0.819
  109    HA3  GLY  18           HA2      GLY  18   1.586   6.301   1.411
  110    H    VAL  19           HN       VAL  19   2.134   3.173   1.309
  111    HA   VAL  19           HA       VAL  19   3.954   3.230   3.567
  112    HB   VAL  19           HB       VAL  19   1.909   1.009   3.246
  113   HG11  VAL  19          HG11      VAL  19   3.029  -0.096   5.114
  114   HG12  VAL  19          HG12      VAL  19   4.114   0.085   3.735
  115   HG13  VAL  19          HG13      VAL  19   4.265   1.161   5.123
  116   HG21  VAL  19          HG21      VAL  19   1.031   2.913   4.472
  117   HG22  VAL  19          HG22      VAL  19   1.294   1.552   5.563
  118   HG23  VAL  19          HG23      VAL  19   2.433   2.898   5.540
  119    H    CYS  20           HN       CYS  20   5.891   2.290   2.966
  120    HA   CYS  20           HA       CYS  20   5.898   0.931   0.360
  121    HB2  CYS  20           HB2      CYS  20   8.215   1.675   0.101
  122    HB3  CYS  20           HB3      CYS  20   7.154   3.046   0.384
  123    H    MET  21           HN       MET  21   6.020  -1.229   0.578
  124    HA   MET  21           HA       MET  21   8.117  -2.357   2.208
  125    HB2  MET  21           HB2      MET  21   6.518  -3.762   3.541
  126    HB3  MET  21           HB3      MET  21   6.527  -2.061   3.951
  127    HG2  MET  21           HG2      MET  21   4.477  -1.702   2.756
  128    HG3  MET  21           HG3      MET  21   4.498  -3.357   2.150
  129    HE1  MET  21           HE1      MET  21   3.801  -5.476   5.320
  130    HE2  MET  21           HE2      MET  21   4.002  -5.474   3.566
  131    HE3  MET  21           HE3      MET  21   5.366  -5.079   4.610
  132    H    TYR  22           HN       TYR  22   8.950  -3.576   0.596
  133    HA   TYR  22           HA       TYR  22   8.001  -6.124   0.285
  134    HB2  TYR  22           HB2      TYR  22   6.329  -4.880  -1.210
  135    HB3  TYR  22           HB3      TYR  22   7.677  -4.713  -2.320
  136    HD1  TYR  22           HD1      TYR  22   7.591  -7.752  -0.362
  137    HD2  TYR  22           HD2      TYR  22   6.257  -5.942  -3.976
  138    HE1  TYR  22           HE1      TYR  22   7.101  -9.976  -1.290
  139    HE2  TYR  22           HE2      TYR  22   5.770  -8.162  -4.914
  140    HH   TYR  22           HH       TYR  22   5.709 -10.994  -3.017
  141    H    ILE  23           HN       ILE  23   9.901  -3.564  -1.011
  142    HA   ILE  23           HA       ILE  23  11.789  -4.288  -2.600
  143    HB   ILE  23           HB       ILE  23  13.484  -3.321  -0.735
  144   HG12  ILE  23          HG12      ILE  23  10.681  -2.499   0.053
  145   HG13  ILE  23          HG13      ILE  23  11.860  -3.337   1.063
  146   HG21  ILE  23          HG21      ILE  23  11.496  -1.747  -2.352
  147   HG22  ILE  23          HG22      ILE  23  12.975  -1.105  -1.637
  148   HG23  ILE  23          HG23      ILE  23  13.067  -2.335  -2.899
  149   HD11  ILE  23          HD11      ILE  23  13.274  -1.330   1.029
  150   HD12  ILE  23          HD12      ILE  23  12.067  -0.505   0.043
  151   HD13  ILE  23          HD13      ILE  23  11.671  -1.001   1.688
  152    H    GLU  24           HN       GLU  24  13.285  -4.657   0.384
  153    HA   GLU  24           HA       GLU  24  14.165  -6.346   1.630
  154    HB2  GLU  24           HB2      GLU  24  12.416  -7.774  -0.272
  155    HB3  GLU  24           HB3      GLU  24  13.371  -8.676   0.909
  156    HG2  GLU  24           HG2      GLU  24  11.389  -6.506   1.551
  157    HG3  GLU  24           HG3      GLU  24  11.037  -8.242   1.639
  158    H    ALA  25           HN       ALA  25  15.464  -5.143  -0.482
  159    HA   ALA  25           HA       ALA  25  17.286  -5.258  -1.817
  160    HB1  ALA  25           HB1      ALA  25  18.832  -7.155  -1.613
  161    HB2  ALA  25           HB2      ALA  25  18.357  -6.528  -0.034
  162    HB3  ALA  25           HB3      ALA  25  17.638  -8.017  -0.643
  163    H    LEU  26           HN       LEU  26  14.507  -6.503  -2.378
  164    HA   LEU  26           HA       LEU  26  15.304  -7.895  -4.774
  165    HB2  LEU  26           HB2      LEU  26  12.613  -7.955  -3.462
  166    HB3  LEU  26           HB3      LEU  26  13.088  -8.876  -4.875
  167    HG   LEU  26           HG       LEU  26  14.206  -9.231  -2.094
  168   HD11  LEU  26          HD11      LEU  26  13.009 -11.355  -2.125
  169   HD12  LEU  26          HD12      LEU  26  11.899  -9.995  -2.298
  170   HD13  LEU  26          HD13      LEU  26  12.336 -10.962  -3.708
  171   HD21  LEU  26          HD21      LEU  26  14.699 -10.814  -4.614
  172   HD22  LEU  26          HD22      LEU  26  15.847  -9.718  -3.844
  173   HD23  LEU  26          HD23      LEU  26  15.331 -11.185  -3.009
  174    H    ASP  27           HN       ASP  27  14.363  -5.068  -3.548
  175    HA   ASP  27           HA       ASP  27  13.917  -3.060  -4.523
  176    HB2  ASP  27           HB2      ASP  27  15.593  -3.865  -6.227
  177    HB3  ASP  27           HB3      ASP  27  14.243  -4.458  -7.188
  178    H    LYS  28           HN       LYS  28  11.970  -4.784  -3.718
  179    HA   LYS  28           HA       LYS  28   9.836  -4.589  -5.718
  180    HB2  LYS  28           HB2      LYS  28   9.775  -5.851  -2.971
  181    HB3  LYS  28           HB3      LYS  28   8.579  -6.043  -4.250
  182    HG2  LYS  28           HG2      LYS  28  11.434  -7.020  -4.353
  183    HG3  LYS  28           HG3      LYS  28   9.989  -8.009  -4.089
  184    HD2  LYS  28           HD2      LYS  28  10.637  -6.417  -6.568
  185    HD3  LYS  28           HD3      LYS  28  10.673  -8.174  -6.408
  186    HE2  LYS  28           HE2      LYS  28   8.317  -8.282  -6.127
  187    HE3  LYS  28           HE3      LYS  28   8.192  -6.533  -5.942
  188    HZ1  LYS  28           HZ1      LYS  28   8.832  -8.055  -8.403
  189    HZ2  LYS  28           HZ2      LYS  28   9.029  -6.375  -8.278
  190    HZ3  LYS  28           HZ3      LYS  28   7.489  -7.058  -8.116
  191    H    TYR  29           HN       TYR  29   7.628  -3.941  -4.818
  192    HA   TYR  29           HA       TYR  29   7.656  -2.101  -2.643
  193    HB2  TYR  29           HB2      TYR  29   6.977  -0.105  -3.962
  194    HB3  TYR  29           HB3      TYR  29   8.629  -0.612  -4.271
  195    HD1  TYR  29           HD2      TYR  29   9.126  -1.857  -6.430
  196    HD2  TYR  29           HD1      TYR  29   5.408   0.081  -5.705
  197    HE1  TYR  29           HE2      TYR  29   8.655  -1.869  -8.843
  198    HE2  TYR  29           HE1      TYR  29   4.932   0.080  -8.116
  199    HH   TYR  29           HH       TYR  29   6.847  -1.704 -10.375
  200    H    ALA  30           HN       ALA  30   5.974  -3.068  -1.735
  201    HA   ALA  30           HA       ALA  30   3.428  -2.916  -3.178
  202    HB1  ALA  30           HB1      ALA  30   3.833  -5.073  -2.104
  203    HB2  ALA  30           HB2      ALA  30   4.107  -4.268  -0.559
  204    HB3  ALA  30           HB3      ALA  30   2.507  -4.231  -1.302
  205    H    CYS  31           HN       CYS  31   2.130  -1.243  -2.722
  206    HA   CYS  31           HA       CYS  31   2.896   0.407  -0.436
  207    HB2  CYS  31           HB2      CYS  31   3.439   1.447  -2.673
  208    HB3  CYS  31           HB3      CYS  31   1.703   1.492  -2.988
  209    H    ASN  32           HN       ASN  32   1.484   0.291   1.021
  210    HA   ASN  32           HA       ASN  32  -1.284  -0.299   0.276
  211    HB2  ASN  32           HB2      ASN  32  -0.476  -2.313   1.115
  212    HB3  ASN  32           HB3      ASN  32   0.554  -1.521   2.294
  213   HD21  ASN  32          HD21      ASN  32  -0.226  -2.737   4.006
  214   HD22  ASN  32          HD22      ASN  32  -1.819  -2.546   4.642
  215    H    CYS  33           HN       CYS  33  -2.239   1.539   0.557
  216    HA   CYS  33           HA       CYS  33  -1.571   3.454   2.537
  217    HB2  CYS  33           HB2      CYS  33  -3.818   3.151   0.572
  218    HB3  CYS  33           HB3      CYS  33  -3.815   4.463   1.745
  219    H    VAL  34           HN       VAL  34  -4.805   2.053   2.054
  220    HA   VAL  34           HA       VAL  34  -5.115   1.543   4.882
  221    HB   VAL  34           HB       VAL  34  -5.358   4.090   4.401
  222   HG11  VAL  34          HG11      VAL  34  -6.714   3.943   2.418
  223   HG12  VAL  34          HG12      VAL  34  -7.987   3.107   3.308
  224   HG13  VAL  34          HG13      VAL  34  -7.599   4.784   3.689
  225   HG21  VAL  34          HG21      VAL  34  -7.206   4.283   6.034
  226   HG22  VAL  34          HG22      VAL  34  -7.525   2.558   5.847
  227   HG23  VAL  34          HG23      VAL  34  -5.988   3.102   6.518
  228    H    VAL  35           HN       VAL  35  -7.267   0.572   5.316
  229    HA   VAL  35           HA       VAL  35  -8.128  -1.044   3.140
  230    HB   VAL  35           HB       VAL  35  -9.782  -2.010   4.629
  231   HG11  VAL  35          HG11      VAL  35  -7.509  -2.803   4.831
  232   HG12  VAL  35          HG12      VAL  35  -7.132  -1.527   5.991
  233   HG13  VAL  35          HG13      VAL  35  -8.279  -2.796   6.418
  234   HG21  VAL  35          HG21      VAL  35 -10.044  -1.231   6.954
  235   HG22  VAL  35          HG22      VAL  35  -8.980   0.135   6.618
  236   HG23  VAL  35          HG23      VAL  35 -10.541   0.009   5.804
  237    H    GLY  36           HN       GLY  36  -8.641   0.445   1.589
  238    HA2  GLY  36           HA1      GLY  36 -11.196   1.208   1.065
  239    HA3  GLY  36           HA2      GLY  36 -10.559   2.544   2.025
  240    H    TYR  37           HN       TYR  37  -7.851   1.720   0.882
  241    HA   TYR  37           HA       TYR  37  -8.151   2.469  -1.931
  242    HB2  TYR  37           HB2      TYR  37  -6.211   3.766   0.003
  243    HB3  TYR  37           HB3      TYR  37  -6.171   3.973  -1.740
  244    HD1  TYR  37           HD2      TYR  37  -8.001   4.781   1.337
  245    HD2  TYR  37           HD1      TYR  37  -7.719   5.441  -2.853
  246    HE1  TYR  37           HE2      TYR  37  -9.505   6.709   1.547
  247    HE2  TYR  37           HE1      TYR  37  -9.221   7.379  -2.652
  248    HH   TYR  37           HH       TYR  37 -10.069   8.735   0.391
  249    H    ILE  38           HN       ILE  38  -7.483   0.463  -2.730
  250    HA   ILE  38           HA       ILE  38  -4.612   0.135  -2.566
  251    HB   ILE  38           HB       ILE  38  -5.897  -1.414  -0.868
  252   HG12  ILE  38          HG12      ILE  38  -3.487  -1.315  -1.180
  253   HG13  ILE  38          HG13      ILE  38  -4.025  -2.975  -0.965
  254   HG21  ILE  38          HG21      ILE  38  -6.257  -3.672  -1.734
  255   HG22  ILE  38          HG22      ILE  38  -7.368  -2.502  -2.443
  256   HG23  ILE  38          HG23      ILE  38  -5.984  -3.078  -3.371
  257   HD11  ILE  38          HD11      ILE  38  -3.823  -3.353  -3.365
  258   HD12  ILE  38          HD12      ILE  38  -3.300  -1.683  -3.584
  259   HD13  ILE  38          HD13      ILE  38  -2.299  -2.806  -2.665
  260    H    GLY  39           HN       GLY  39  -3.962   0.237  -4.605
  261    HA2  GLY  39           HA1      GLY  39  -4.797  -1.717  -6.490
  262    HA3  GLY  39           HA2      GLY  39  -5.430  -0.125  -6.906
  263    H    GLU  40           HN       GLU  40  -2.696  -2.179  -6.947
  264    HA   GLU  40           HA       GLU  40  -0.644  -2.003  -7.909
  265    HB2  GLU  40           HB2      GLU  40  -1.739  -0.661  -9.690
  266    HB3  GLU  40           HB3      GLU  40  -1.499   0.788  -8.724
  267    HG2  GLU  40           HG2      GLU  40   0.966   0.307  -8.811
  268    HG3  GLU  40           HG3      GLU  40   0.601  -0.935 -10.005
  269    H    ARG  41           HN       ARG  41  -1.659   1.028  -6.443
  270    HA   ARG  41           HA       ARG  41   0.401   0.881  -4.435
  271    HB2  ARG  41           HB2      ARG  41   1.127   3.276  -5.087
  272    HB3  ARG  41           HB3      ARG  41   1.739   1.908  -6.012
  273    HG2  ARG  41           HG2      ARG  41   1.181   3.416  -7.666
  274    HG3  ARG  41           HG3      ARG  41  -0.231   2.361  -7.588
  275    HD2  ARG  41           HD2      ARG  41  -1.427   3.983  -6.270
  276    HD3  ARG  41           HD3      ARG  41  -0.006   5.033  -6.223
  277    HE   ARG  41           HE       ARG  41  -0.847   4.405  -8.893
  278   HH11  ARG  41          HH12      ARG  41  -1.323   6.570  -6.191
  279   HH12  ARG  41          HH11      ARG  41  -2.006   7.839  -7.167
  280   HH21  ARG  41          HH22      ARG  41  -1.757   6.055 -10.165
  281   HH22  ARG  41          HH21      ARG  41  -2.278   7.533  -9.419
  282    H    CYS  42           HN       CYS  42  -2.163   0.570  -4.150
  283    HA   CYS  42           HA       CYS  42  -3.946   1.090  -2.961
  284    HB2  CYS  42           HB2      CYS  42  -3.716   2.686  -1.052
  285    HB3  CYS  42           HB3      CYS  42  -2.572   1.359  -1.084
  286    H    GLN  43           HN       GLN  43  -5.427   1.716  -4.441
  287    HA   GLN  43           HA       GLN  43  -6.365   4.383  -4.153
  288    HB2  GLN  43           HB2      GLN  43  -6.143   5.107  -6.490
  289    HB3  GLN  43           HB3      GLN  43  -4.580   4.887  -5.716
  290    HG2  GLN  43           HG2      GLN  43  -4.259   2.787  -6.850
  291    HG3  GLN  43           HG3      GLN  43  -5.878   2.878  -7.543
  292   HE21  GLN  43          HE21      GLN  43  -5.688   5.734  -8.065
  293   HE22  GLN  43          HE22      GLN  43  -4.624   5.918  -9.417
  294    H    TYR  44           HN       TYR  44  -7.041   1.293  -4.393
  295    HA   TYR  44           HA       TYR  44  -9.624   1.806  -5.664
  296    HB2  TYR  44           HB2      TYR  44  -7.713  -0.442  -6.265
  297    HB3  TYR  44           HB3      TYR  44  -9.442  -0.624  -6.519
  298    HD1  TYR  44           HD1      TYR  44 -10.570   0.658  -8.292
  299    HD2  TYR  44           HD2      TYR  44  -6.356   0.846  -7.754
  300    HE1  TYR  44           HE1      TYR  44 -10.326   1.561 -10.567
  301    HE2  TYR  44           HE2      TYR  44  -6.101   1.757 -10.018
  302    HH   TYR  44           HH       TYR  44  -8.775   2.826 -11.901
  303    H    ARG  45           HN       ARG  45 -10.865   1.709  -3.845
  304    HA   ARG  45           HA       ARG  45 -12.419   0.390  -2.777
  305    HB2  ARG  45           HB2      ARG  45 -10.658  -1.817  -3.795
  306    HB3  ARG  45           HB3      ARG  45 -12.268  -2.047  -3.099
  307    HG2  ARG  45           HG2      ARG  45 -13.261  -1.579  -5.044
  308    HG3  ARG  45           HG3      ARG  45 -12.237  -0.162  -5.317
  309    HD2  ARG  45           HD2      ARG  45 -10.510  -1.441  -6.262
  310    HD3  ARG  45           HD3      ARG  45 -11.188  -2.953  -5.641
  311    HE   ARG  45           HE       ARG  45 -11.927  -1.598  -8.071
  312   HH11  ARG  45          HH12      ARG  45 -13.116  -3.727  -5.542
  313   HH12  ARG  45          HH11      ARG  45 -14.188  -4.588  -6.604
  314   HH21  ARG  45          HH22      ARG  45 -13.351  -2.740  -9.461
  315   HH22  ARG  45          HH21      ARG  45 -14.303  -4.055  -8.811
  316    H    ASP  46           HN       ASP  46 -12.575  -1.397  -1.146
  317    HA   ASP  46           HA       ASP  46 -10.306  -1.294   0.709
  318    HB2  ASP  46           HB2      ASP  46 -12.085  -1.726   2.511
  319    HB3  ASP  46           HB3      ASP  46 -11.983  -0.109   1.839
  320    H    LEU  47           HN       LEU  47 -10.300  -2.971  -1.276
  321    HA   LEU  47           HA       LEU  47 -11.373  -5.480  -1.145
  322    HB2  LEU  47           HB2      LEU  47  -8.503  -4.814  -1.801
  323    HB3  LEU  47           HB3      LEU  47  -9.395  -6.221  -2.345
  324    HG   LEU  47           HG       LEU  47 -10.002  -3.368  -3.137
  325   HD11  LEU  47          HD11      LEU  47  -9.102  -4.012  -5.321
  326   HD12  LEU  47          HD12      LEU  47  -7.880  -4.124  -4.054
  327   HD13  LEU  47          HD13      LEU  47  -8.649  -5.587  -4.669
  328   HD21  LEU  47          HD21      LEU  47 -11.979  -4.776  -3.163
  329   HD22  LEU  47          HD22      LEU  47 -11.465  -4.412  -4.810
  330   HD23  LEU  47          HD23      LEU  47 -11.126  -5.995  -4.110
  331    H    LYS  48           HN       LYS  48  -8.594  -4.218   0.573
  332    HA   LYS  48           HA       LYS  48  -7.471  -6.589   1.465
  333    HB2  LYS  48           HB2      LYS  48  -6.486  -5.067   3.279
  334    HB3  LYS  48           HB3      LYS  48  -6.140  -4.673   1.600
  335    HG2  LYS  48           HG2      LYS  48  -8.556  -3.416   2.631
  336    HG3  LYS  48           HG3      LYS  48  -7.082  -2.936   3.476
  337    HD2  LYS  48           HD2      LYS  48  -7.408  -2.870   0.479
  338    HD3  LYS  48           HD3      LYS  48  -7.711  -1.486   1.532
  339    HE2  LYS  48           HE2      LYS  48  -5.107  -2.935   1.090
  340    HE3  LYS  48           HE3      LYS  48  -5.504  -1.264   0.657
  341    HZ1  LYS  48           HZ1      LYS  48  -5.291  -2.361   3.420
  342    HZ2  LYS  48           HZ2      LYS  48  -5.715  -0.768   3.026
  343    HZ3  LYS  48           HZ3      LYS  48  -4.168  -1.346   2.659
  344    H    TRP  49           HN       TRP  49  -9.764  -4.471   3.194
  345    HA   TRP  49           HA       TRP  49  -9.929  -6.484   5.299
  346    HB2  TRP  49           HB2      TRP  49  -9.456  -4.247   6.068
  347    HB3  TRP  49           HB3      TRP  49 -10.855  -3.611   5.207
  348    HD1  TRP  49           HD1      TRP  49 -10.376  -6.415   7.877
  349    HE1  TRP  49           HE1      TRP  49 -12.210  -6.117   9.658
  350    HE3  TRP  49           HE3      TRP  49 -12.744  -2.322   5.930
  351    HZ2  TRP  49           HZ2      TRP  49 -14.368  -4.373  10.171
  352    HZ3  TRP  49           HZ3      TRP  49 -14.685  -1.403   7.129
  353    HH2  TRP  49           HH2      TRP  49 -15.480  -2.409   9.205
  354    H    TRP  50           HN       TRP  50 -12.138  -4.474   3.313
  355    HA   TRP  50           HA       TRP  50 -14.319  -6.068   4.439
  356    HB2  TRP  50           HB2      TRP  50 -14.368  -3.598   4.693
  357    HB3  TRP  50           HB3      TRP  50 -14.516  -3.459   2.944
  358    HD1  TRP  50           HD1      TRP  50 -16.469  -4.887   5.958
  359    HE1  TRP  50           HE1      TRP  50 -18.977  -4.861   5.377
  360    HE3  TRP  50           HE3      TRP  50 -16.149  -3.312   1.105
  361    HZ2  TRP  50           HZ2      TRP  50 -20.600  -4.250   3.141
  362    HZ3  TRP  50           HZ3      TRP  50 -18.222  -3.034  -0.187
  363    HH2  TRP  50           HH2      TRP  50 -20.404  -3.494   0.812
  364    H    GLU  51           HN       GLU  51 -13.191  -4.901   1.256
  365    HA   GLU  51           HA       GLU  51 -15.512  -5.837  -0.070
  366    HB2  GLU  51           HB2      GLU  51 -12.846  -4.892  -1.093
  367    HB3  GLU  51           HB3      GLU  51 -14.118  -5.461  -2.173
  368    HG2  GLU  51           HG2      GLU  51 -15.557  -3.716  -0.863
  369    HG3  GLU  51           HG3      GLU  51 -13.970  -3.035  -0.485
  370    H    LEU  52           HN       LEU  52 -12.201  -7.119   0.076
  371    HA   LEU  52           HA       LEU  52 -13.176  -9.496  -1.347
  372    HB2  LEU  52           HB2      LEU  52 -10.357  -8.777  -0.602
  373    HB3  LEU  52           HB3      LEU  52 -10.856 -10.077  -1.677
  374    HG   LEU  52           HG       LEU  52 -11.035  -7.120  -2.131
  375   HD11  LEU  52          HD11      LEU  52  -9.597  -7.639  -4.066
  376   HD12  LEU  52          HD12      LEU  52  -8.850  -8.115  -2.541
  377   HD13  LEU  52          HD13      LEU  52  -9.577  -9.336  -3.587
  378   HD21  LEU  52          HD21      LEU  52 -12.063  -7.645  -4.304
  379   HD22  LEU  52          HD22      LEU  52 -12.139  -9.348  -3.855
  380   HD23  LEU  52          HD23      LEU  52 -13.082  -8.155  -2.958
  381    H    ARG  53           HN       ARG  53 -11.797  -8.455   1.665
  382    HA   ARG  53           HA       ARG  53 -11.499 -11.250   2.509
  383    HB2  ARG  53           HB2      ARG  53  -9.802  -9.350   2.955
  384    HB3  ARG  53           HB3      ARG  53 -10.900  -8.880   4.246
  385    HG2  ARG  53           HG2      ARG  53 -10.613 -11.545   4.720
  386    HG3  ARG  53           HG3      ARG  53  -9.018 -11.115   4.092
  387    HD2  ARG  53           HD2      ARG  53  -9.031 -10.861   6.494
  388    HD3  ARG  53           HD3      ARG  53  -8.915  -9.269   5.737
  389    HE   ARG  53           HE       ARG  53 -11.554  -9.488   6.079
  390   HH11  ARG  53          HH12      ARG  53  -8.926 -10.195   8.277
  391   HH12  ARG  53          HH11      ARG  53  -9.823  -9.766   9.701
  392   HH21  ARG  53          HH22      ARG  53 -12.765  -8.977   7.941
  393   HH22  ARG  53          HH21      ARG  53 -12.020  -9.080   9.511
  Start of MODEL    2
    1    H1   ASN   1           H1       ASN   1  19.285  -1.960   1.904
    2    H2   ASN   1           H2       ASN   1  19.130  -1.575   0.258
    3    H3   ASN   1           H3       ASN   1  18.273  -2.886   0.911
    4    HA   ASN   1           HA       ASN   1  17.892  -0.063   1.719
    5    HB2  ASN   1           HB2      ASN   1  16.157  -1.794  -0.061
    6    HB3  ASN   1           HB3      ASN   1  15.742  -0.183   0.510
    7   HD21  ASN   1          HD21      ASN   1  16.833   1.609  -0.349
    8   HD22  ASN   1          HD22      ASN   1  17.693   1.502  -1.852
    9    H    SER   2           HN       SER   2  16.023  -3.076   1.451
   10    HA   SER   2           HA       SER   2  14.603  -4.137   2.815
   11    HB2  SER   2           HB2      SER   2  15.320  -4.488   5.176
   12    HB3  SER   2           HB3      SER   2  16.581  -4.831   3.997
   13    HG   SER   2           HG       SER   2  16.755  -2.262   4.737
   14    H    ASP   3           HN       ASP   3  13.052  -2.537   2.237
   15    HA   ASP   3           HA       ASP   3  11.386  -1.042   2.645
   16    HB2  ASP   3           HB2      ASP   3  11.620  -2.241   5.411
   17    HB3  ASP   3           HB3      ASP   3  10.229  -1.355   4.797
   18    H    SER   4           HN       SER   4  13.893   0.221   2.784
   19    HA   SER   4           HA       SER   4  13.788   1.934   5.139
   20    HB2  SER   4           HB2      SER   4  15.970   2.801   4.274
   21    HB3  SER   4           HB3      SER   4  15.969   1.065   4.584
   22    HG   SER   4           HG       SER   4  15.961   2.454   2.124
   23    H    GLU   5           HN       GLU   5  13.476   2.121   1.639
   24    HA   GLU   5           HA       GLU   5  13.365   4.989   1.558
   25    HB2  GLU   5           HB2      GLU   5  12.371   3.158  -0.618
   26    HB3  GLU   5           HB3      GLU   5  13.068   4.762  -0.775
   27    HG2  GLU   5           HG2      GLU   5  14.525   2.232  -0.048
   28    HG3  GLU   5           HG3      GLU   5  14.617   3.105  -1.576
   29    H    CYS   6           HN       CYS   6  11.661   5.333   3.126
   30    HA   CYS   6           HA       CYS   6   9.095   4.149   2.487
   31    HB2  CYS   6           HB2      CYS   6  10.293   4.504   4.869
   32    HB3  CYS   6           HB3      CYS   6   9.277   5.945   4.819
   33    HA   PRO   7           HA       PRO   7   7.615   8.680   2.534
   34    HB2  PRO   7           HB2      PRO   7   9.979  10.403   2.282
   35    HB3  PRO   7           HB3      PRO   7   8.638  10.493   3.424
   36    HG2  PRO   7           HG2      PRO   7  11.103   9.732   4.185
   37    HG3  PRO   7           HG3      PRO   7   9.637   9.058   4.923
   38    HD2  PRO   7           HD2      PRO   7  11.417   7.869   2.822
   39    HD3  PRO   7           HD3      PRO   7  10.682   7.093   4.242
   40    H    LEU   8           HN       LEU   8  10.592   9.570   0.777
   41    HA   LEU   8           HA       LEU   8   9.172  10.727  -1.320
   42    HB2  LEU   8           HB2      LEU   8  11.515  11.219  -0.760
   43    HB3  LEU   8           HB3      LEU   8  11.986   9.641  -1.360
   44    HG   LEU   8           HG       LEU   8  11.181  10.312  -3.621
   45   HD11  LEU   8          HD11      LEU   8  10.807  12.698  -4.060
   46   HD12  LEU   8          HD12      LEU   8   9.592  12.036  -2.963
   47   HD13  LEU   8          HD13      LEU   8  10.906  13.025  -2.329
   48   HD21  LEU   8          HD21      LEU   8  13.285  12.088  -2.394
   49   HD22  LEU   8          HD22      LEU   8  13.541  10.458  -3.015
   50   HD23  LEU   8          HD23      LEU   8  13.081  11.759  -4.113
   51    H    SER   9           HN       SER   9   9.869   7.430  -0.787
   52    HA   SER   9           HA       SER   9   9.559   6.757  -3.604
   53    HB2  SER   9           HB2      SER   9  11.412   5.682  -2.396
   54    HB3  SER   9           HB3      SER   9  10.269   5.005  -1.239
   55    HG   SER   9           HG       SER   9  10.574   4.394  -3.981
   56    H    HIS  10           HN       HIS  10   8.095   5.975  -0.422
   57    HA   HIS  10           HA       HIS  10   5.989   4.613  -1.941
   58    HB2  HIS  10           HB2      HIS  10   7.163   4.014   0.726
   59    HB3  HIS  10           HB3      HIS  10   5.479   3.583   0.425
   60    HD1  HIS  10           HD1      HIS  10   5.273   1.250  -0.340
   61    HD2  HIS  10           HD2      HIS  10   8.788   3.009  -1.694
   62    HE1  HIS  10           HE1      HIS  10   6.416  -0.505  -1.732
   63    HE2  HIS  10           HE2      HIS  10   8.450   0.640  -2.676
   64    H    ASP  11           HN       ASP  11   6.228   6.317   1.173
   65    HA   ASP  11           HA       ASP  11   3.627   7.153   1.446
   66    HB2  ASP  11           HB2      ASP  11   5.304   7.529   3.149
   67    HB3  ASP  11           HB3      ASP  11   6.176   8.640   2.102
   68    H    GLY  12           HN       GLY  12   5.990   8.303  -0.810
   69    HA2  GLY  12           HA1      GLY  12   4.423  10.645  -1.547
   70    HA3  GLY  12           HA2      GLY  12   5.982  10.183  -2.213
   71    H    TYR  13           HN       TYR  13   4.931   7.402  -2.615
   72    HA   TYR  13           HA       TYR  13   3.717   7.870  -5.223
   73    HB2  TYR  13           HB2      TYR  13   5.631   6.255  -4.812
   74    HB3  TYR  13           HB3      TYR  13   4.488   5.244  -3.942
   75    HD1  TYR  13           HD2      TYR  13   4.404   7.061  -7.216
   76    HD2  TYR  13           HD1      TYR  13   3.912   3.379  -5.146
   77    HE1  TYR  13           HE2      TYR  13   3.805   5.959  -9.331
   78    HE2  TYR  13           HE1      TYR  13   3.309   2.265  -7.253
   79    HH   TYR  13           HH       TYR  13   2.492   2.759  -9.437
   80    H    CYS  14           HN       CYS  14   2.972   6.591  -2.086
   81    HA   CYS  14           HA       CYS  14   0.347   5.649  -2.909
   82    HB2  CYS  14           HB2      CYS  14   1.698   5.603  -0.189
   83    HB3  CYS  14           HB3      CYS  14   0.240   4.718  -0.657
   84    H    LEU  15           HN       LEU  15  -1.376   6.305  -0.898
   85    HA   LEU  15           HA       LEU  15  -1.389   9.218  -1.284
   86    HB2  LEU  15           HB2      LEU  15  -3.788   7.425  -1.554
   87    HB3  LEU  15           HB3      LEU  15  -3.726   9.151  -1.853
   88    HG   LEU  15           HG       LEU  15  -2.327   7.020  -3.456
   89   HD11  LEU  15          HD11      LEU  15  -4.686   8.796  -4.098
   90   HD12  LEU  15          HD12      LEU  15  -3.889   7.707  -5.234
   91   HD13  LEU  15          HD13      LEU  15  -4.732   7.053  -3.831
   92   HD21  LEU  15          HD21      LEU  15  -1.752   8.848  -4.996
   93   HD22  LEU  15          HD22      LEU  15  -2.447  10.011  -3.868
   94   HD23  LEU  15          HD23      LEU  15  -1.021   9.081  -3.408
   95    H    HIS  16           HN       HIS  16  -3.425   6.790   0.422
   96    HA   HIS  16           HA       HIS  16  -4.013   9.044   2.230
   97    HB2  HIS  16           HB2      HIS  16  -5.680   6.915   1.097
   98    HB3  HIS  16           HB3      HIS  16  -5.965   7.234   2.808
   99    HD1  HIS  16           HD1      HIS  16  -6.625   9.737   3.426
  100    HD2  HIS  16           HD2      HIS  16  -6.741   8.784  -0.623
  101    HE1  HIS  16           HE1      HIS  16  -7.970  11.558   2.338
  102    HE2  HIS  16           HE2      HIS  16  -7.823  11.082  -0.131
  103    H    ASP  17           HN       ASP  17  -1.763   7.302   2.459
  104    HA   ASP  17           HA       ASP  17  -1.459   7.183   5.148
  105    HB2  ASP  17           HB2      ASP  17  -3.287   5.428   5.065
  106    HB3  ASP  17           HB3      ASP  17  -2.153   4.395   4.197
  107    H    GLY  18           HN       GLY  18  -0.910   5.177   2.291
  108    HA2  GLY  18           HA1      GLY  18   0.984   4.247   1.405
  109    HA3  GLY  18           HA2      GLY  18   1.663   5.837   1.712
  110    H    VAL  19           HN       VAL  19   1.985   2.597   2.218
  111    HA   VAL  19           HA       VAL  19   3.933   3.023   4.387
  112    HB   VAL  19           HB       VAL  19   2.025   0.687   4.118
  113   HG11  VAL  19          HG11      VAL  19   4.253  -0.175   4.656
  114   HG12  VAL  19          HG12      VAL  19   4.373   0.960   6.000
  115   HG13  VAL  19          HG13      VAL  19   3.166  -0.326   6.037
  116   HG21  VAL  19          HG21      VAL  19   1.356   1.307   6.380
  117   HG22  VAL  19          HG22      VAL  19   2.523   2.630   6.372
  118   HG23  VAL  19          HG23      VAL  19   1.148   2.660   5.269
  119    H    CYS  20           HN       CYS  20   5.831   1.730   4.275
  120    HA   CYS  20           HA       CYS  20   6.415   1.003   1.490
  121    HB2  CYS  20           HB2      CYS  20   8.782   1.476   2.129
  122    HB3  CYS  20           HB3      CYS  20   7.720   2.868   2.320
  123    H    MET  21           HN       MET  21   6.776  -1.070   0.995
  124    HA   MET  21           HA       MET  21   8.549  -2.636   2.641
  125    HB2  MET  21           HB2      MET  21   6.985  -4.587   2.763
  126    HB3  MET  21           HB3      MET  21   6.507  -3.219   3.757
  127    HG2  MET  21           HG2      MET  21   4.957  -2.541   1.916
  128    HG3  MET  21           HG3      MET  21   5.333  -4.071   1.128
  129    HE1  MET  21           HE1      MET  21   3.730  -2.325   4.241
  130    HE2  MET  21           HE2      MET  21   3.242  -3.706   5.224
  131    HE3  MET  21           HE3      MET  21   4.954  -3.357   4.984
  132    H    TYR  22           HN       TYR  22   9.363  -4.526   1.504
  133    HA   TYR  22           HA       TYR  22   9.537  -6.083  -0.086
  134    HB2  TYR  22           HB2      TYR  22   7.560  -4.363  -1.452
  135    HB3  TYR  22           HB3      TYR  22   8.412  -5.607  -2.358
  136    HD1  TYR  22           HD1      TYR  22   6.901  -5.494   1.067
  137    HD2  TYR  22           HD2      TYR  22   7.041  -7.458  -2.704
  138    HE1  TYR  22           HE1      TYR  22   5.326  -7.185   1.899
  139    HE2  TYR  22           HE2      TYR  22   5.458  -9.151  -1.880
  140    HH   TYR  22           HH       TYR  22   4.866 -10.077   0.575
  141    H    ILE  23           HN       ILE  23   9.938  -2.766  -0.412
  142    HA   ILE  23           HA       ILE  23  12.005  -2.772  -2.351
  143    HB   ILE  23           HB       ILE  23  12.589  -0.529  -1.362
  144   HG12  ILE  23          HG12      ILE  23  10.278  -1.283   0.417
  145   HG13  ILE  23          HG13      ILE  23  11.907  -0.860   0.907
  146   HG21  ILE  23          HG21      ILE  23   9.728  -0.999  -2.170
  147   HG22  ILE  23          HG22      ILE  23  10.557   0.556  -2.196
  148   HG23  ILE  23          HG23      ILE  23  11.089  -0.747  -3.261
  149   HD11  ILE  23          HD11      ILE  23  10.355   0.937   1.371
  150   HD12  ILE  23          HD12      ILE  23  11.552   1.428   0.175
  151   HD13  ILE  23          HD13      ILE  23   9.915   1.016  -0.336
  152    H    GLU  24           HN       GLU  24  12.851  -4.807  -1.137
  153    HA   GLU  24           HA       GLU  24  14.748  -4.092   0.999
  154    HB2  GLU  24           HB2      GLU  24  13.748  -6.755   0.032
  155    HB3  GLU  24           HB3      GLU  24  14.790  -6.503   1.433
  156    HG2  GLU  24           HG2      GLU  24  13.069  -5.369   2.609
  157    HG3  GLU  24           HG3      GLU  24  12.047  -5.295   1.173
  158    H    ALA  25           HN       ALA  25  15.210  -3.490  -1.764
  159    HA   ALA  25           HA       ALA  25  16.905  -3.478  -3.268
  160    HB1  ALA  25           HB1      ALA  25  19.030  -4.589  -2.793
  161    HB2  ALA  25           HB2      ALA  25  18.479  -3.638  -1.415
  162    HB3  ALA  25           HB3      ALA  25  18.302  -5.391  -1.401
  163    H    LEU  26           HN       LEU  26  14.792  -5.739  -2.735
  164    HA   LEU  26           HA       LEU  26  15.713  -7.533  -4.821
  165    HB2  LEU  26           HB2      LEU  26  13.291  -7.700  -3.037
  166    HB3  LEU  26           HB3      LEU  26  13.702  -8.868  -4.278
  167    HG   LEU  26           HG       LEU  26  15.285  -8.307  -1.768
  168   HD11  LEU  26          HD11      LEU  26  13.646 -10.688  -2.624
  169   HD12  LEU  26          HD12      LEU  26  14.640 -10.597  -1.171
  170   HD13  LEU  26          HD13      LEU  26  13.239  -9.541  -1.348
  171   HD21  LEU  26          HD21      LEU  26  16.692 -10.182  -2.468
  172   HD22  LEU  26          HD22      LEU  26  15.791 -10.299  -3.980
  173   HD23  LEU  26          HD23      LEU  26  16.756  -8.863  -3.637
  174    H    ASP  27           HN       ASP  27  14.351  -4.711  -4.357
  175    HA   ASP  27           HA       ASP  27  13.153  -3.261  -5.586
  176    HB2  ASP  27           HB2      ASP  27  14.393  -5.086  -7.516
  177    HB3  ASP  27           HB3      ASP  27  13.007  -4.188  -8.146
  178    H    LYS  28           HN       LYS  28  11.806  -5.016  -4.096
  179    HA   LYS  28           HA       LYS  28   9.495  -5.805  -5.696
  180    HB2  LYS  28           HB2      LYS  28   9.872  -6.140  -2.681
  181    HB3  LYS  28           HB3      LYS  28   8.697  -6.957  -3.739
  182    HG2  LYS  28           HG2      LYS  28  11.686  -7.361  -3.758
  183    HG3  LYS  28           HG3      LYS  28  10.458  -8.498  -3.187
  184    HD2  LYS  28           HD2      LYS  28  10.835  -7.544  -6.028
  185    HD3  LYS  28           HD3      LYS  28  11.232  -9.142  -5.400
  186    HE2  LYS  28           HE2      LYS  28   8.452  -7.977  -5.398
  187    HE3  LYS  28           HE3      LYS  28   9.084  -9.009  -6.679
  188    HZ1  LYS  28           HZ1      LYS  28   7.761 -10.199  -4.992
  189    HZ2  LYS  28           HZ2      LYS  28   8.931  -9.814  -3.825
  190    HZ3  LYS  28           HZ3      LYS  28   9.337 -10.793  -5.149
  191    H    TYR  29           HN       TYR  29   7.344  -5.138  -4.939
  192    HA   TYR  29           HA       TYR  29   7.392  -2.443  -3.794
  193    HB2  TYR  29           HB2      TYR  29   6.176  -3.206  -6.456
  194    HB3  TYR  29           HB3      TYR  29   5.829  -1.700  -5.619
  195    HD1  TYR  29           HD2      TYR  29   8.354  -3.586  -7.506
  196    HD2  TYR  29           HD1      TYR  29   7.466   0.082  -5.535
  197    HE1  TYR  29           HE2      TYR  29  10.296  -2.539  -8.588
  198    HE2  TYR  29           HE1      TYR  29   9.406   1.135  -6.616
  199    HH   TYR  29           HH       TYR  29  11.213  -0.463  -9.124
  200    H    ALA  30           HN       ALA  30   6.274  -3.003  -1.971
  201    HA   ALA  30           HA       ALA  30   3.416  -3.335  -2.555
  202    HB1  ALA  30           HB1      ALA  30   4.816  -4.571  -0.190
  203    HB2  ALA  30           HB2      ALA  30   3.090  -4.650  -0.545
  204    HB3  ALA  30           HB3      ALA  30   4.247  -5.446  -1.613
  205    H    CYS  31           HN       CYS  31   2.048  -2.123  -1.294
  206    HA   CYS  31           HA       CYS  31   3.226  -0.292   0.633
  207    HB2  CYS  31           HB2      CYS  31   3.257   0.903  -1.520
  208    HB3  CYS  31           HB3      CYS  31   1.538   0.583  -1.727
  209    H    ASN  32           HN       ASN  32   1.736   0.473   2.140
  210    HA   ASN  32           HA       ASN  32  -0.892  -0.852   2.013
  211    HB2  ASN  32           HB2      ASN  32   0.722  -1.887   3.639
  212    HB3  ASN  32           HB3      ASN  32   0.730  -0.361   4.517
  213   HD21  ASN  32          HD21      ASN  32  -0.995  -3.251   3.824
  214   HD22  ASN  32          HD22      ASN  32  -2.286  -3.006   4.953
  215    H    CYS  33           HN       CYS  33  -2.140   0.831   1.423
  216    HA   CYS  33           HA       CYS  33  -1.815   3.384   2.683
  217    HB2  CYS  33           HB2      CYS  33  -2.231   3.084   0.283
  218    HB3  CYS  33           HB3      CYS  33  -3.792   2.378   0.651
  219    H    VAL  34           HN       VAL  34  -5.094   2.477   1.991
  220    HA   VAL  34           HA       VAL  34  -5.641   2.045   4.831
  221    HB   VAL  34           HB       VAL  34  -5.790   4.501   4.340
  222   HG11  VAL  34          HG11      VAL  34  -6.577   4.392   2.051
  223   HG12  VAL  34          HG12      VAL  34  -8.100   3.691   2.597
  224   HG13  VAL  34          HG13      VAL  34  -7.678   5.344   3.047
  225   HG21  VAL  34          HG21      VAL  34  -8.354   3.131   5.123
  226   HG22  VAL  34          HG22      VAL  34  -7.025   3.562   6.200
  227   HG23  VAL  34          HG23      VAL  34  -7.979   4.827   5.423
  228    H    VAL  35           HN       VAL  35  -7.568   0.878   5.178
  229    HA   VAL  35           HA       VAL  35  -8.496  -0.680   3.040
  230    HB   VAL  35           HB       VAL  35 -10.203  -1.554   4.515
  231   HG11  VAL  35          HG11      VAL  35  -8.779  -2.300   6.377
  232   HG12  VAL  35          HG12      VAL  35  -7.944  -2.364   4.824
  233   HG13  VAL  35          HG13      VAL  35  -7.598  -1.060   5.958
  234   HG21  VAL  35          HG21      VAL  35  -9.439   0.663   6.439
  235   HG22  VAL  35          HG22      VAL  35 -10.974   0.513   5.586
  236   HG23  VAL  35          HG23      VAL  35 -10.522  -0.681   6.801
  237    H    GLY  36           HN       GLY  36  -9.106   0.455   1.371
  238    HA2  GLY  36           HA1      GLY  36 -11.547   1.231   0.715
  239    HA3  GLY  36           HA2      GLY  36 -10.993   2.648   1.606
  240    H    TYR  37           HN       TYR  37  -8.176   2.083   0.727
  241    HA   TYR  37           HA       TYR  37  -8.347   2.483  -2.167
  242    HB2  TYR  37           HB2      TYR  37  -6.878   4.357  -0.294
  243    HB3  TYR  37           HB3      TYR  37  -6.727   4.366  -2.046
  244    HD1  TYR  37           HD1      TYR  37  -8.552   5.212  -3.439
  245    HD2  TYR  37           HD2      TYR  37  -8.811   5.281   0.807
  246    HE1  TYR  37           HE1      TYR  37 -10.420   6.802  -3.582
  247    HE2  TYR  37           HE2      TYR  37 -10.680   6.871   0.673
  248    HH   TYR  37           HH       TYR  37 -12.347   7.492  -2.207
  249    H    ILE  38           HN       ILE  38  -7.253   0.528  -2.591
  250    HA   ILE  38           HA       ILE  38  -4.413   0.955  -2.340
  251    HB   ILE  38           HB       ILE  38  -5.524  -0.643  -0.396
  252   HG12  ILE  38          HG12      ILE  38  -3.319   0.468  -0.386
  253   HG13  ILE  38          HG13      ILE  38  -3.222  -1.200   0.165
  254   HG21  ILE  38          HG21      ILE  38  -4.321  -2.461  -2.478
  255   HG22  ILE  38          HG22      ILE  38  -4.734  -2.919  -0.826
  256   HG23  ILE  38          HG23      ILE  38  -6.006  -2.447  -1.952
  257   HD11  ILE  38          HD11      ILE  38  -2.387  -1.864  -2.035
  258   HD12  ILE  38          HD12      ILE  38  -2.464  -0.183  -2.565
  259   HD13  ILE  38          HD13      ILE  38  -1.357  -0.652  -1.272
  260    H    GLY  39           HN       GLY  39  -3.498   0.505  -4.144
  261    HA2  GLY  39           HA1      GLY  39  -3.961  -1.939  -5.537
  262    HA3  GLY  39           HA2      GLY  39  -4.586  -0.550  -6.425
  263    H    GLU  40           HN       GLU  40  -1.848  -2.342  -5.603
  264    HA   GLU  40           HA       GLU  40   0.321  -2.249  -6.165
  265    HB2  GLU  40           HB2      GLU  40  -0.311  -1.481  -8.384
  266    HB3  GLU  40           HB3      GLU  40  -0.494   0.162  -7.783
  267    HG2  GLU  40           HG2      GLU  40   1.944   0.125  -7.214
  268    HG3  GLU  40           HG3      GLU  40   2.049  -1.415  -8.068
  269    H    ARG  41           HN       ARG  41  -1.159   0.767  -5.329
  270    HA   ARG  41           HA       ARG  41   0.998   1.305  -3.466
  271    HB2  ARG  41           HB2      ARG  41   0.744   3.770  -4.314
  272    HB3  ARG  41           HB3      ARG  41   1.739   2.612  -5.191
  273    HG2  ARG  41           HG2      ARG  41   0.607   3.187  -7.007
  274    HG3  ARG  41           HG3      ARG  41  -0.736   2.272  -6.335
  275    HD2  ARG  41           HD2      ARG  41  -1.743   4.277  -6.797
  276    HD3  ARG  41           HD3      ARG  41  -1.276   4.513  -5.114
  277    HE   ARG  41           HE       ARG  41   0.323   6.059  -5.776
  278   HH11  ARG  41          HH12      ARG  41  -1.086   4.511  -8.597
  279   HH12  ARG  41          HH11      ARG  41  -0.500   5.713  -9.707
  280   HH21  ARG  41          HH22      ARG  41   1.097   7.642  -7.243
  281   HH22  ARG  41          HH21      ARG  41   0.759   7.468  -8.944
  282    H    CYS  42           HN       CYS  42  -2.220   2.105  -4.561
  283    HA   CYS  42           HA       CYS  42  -3.753   2.155  -2.406
  284    HB2  CYS  42           HB2      CYS  42  -2.244   3.435  -1.027
  285    HB3  CYS  42           HB3      CYS  42  -2.028   4.645  -2.286
  286    H    GLN  43           HN       GLN  43  -5.133   2.030  -4.391
  287    HA   GLN  43           HA       GLN  43  -6.798   4.233  -4.295
  288    HB2  GLN  43           HB2      GLN  43  -6.528   5.366  -6.425
  289    HB3  GLN  43           HB3      GLN  43  -5.057   5.466  -5.453
  290    HG2  GLN  43           HG2      GLN  43  -3.890   4.026  -6.842
  291    HG3  GLN  43           HG3      GLN  43  -5.358   3.355  -7.552
  292   HE21  GLN  43          HE21      GLN  43  -3.187   6.094  -7.521
  293   HE22  GLN  43          HE22      GLN  43  -3.709   6.761  -9.030
  294    H    TYR  44           HN       TYR  44  -6.662   1.231  -4.661
  295    HA   TYR  44           HA       TYR  44  -8.784   1.219  -6.668
  296    HB2  TYR  44           HB2      TYR  44  -6.569  -0.826  -6.469
  297    HB3  TYR  44           HB3      TYR  44  -8.019  -1.024  -7.451
  298    HD1  TYR  44           HD1      TYR  44  -8.480   0.893  -9.182
  299    HD2  TYR  44           HD2      TYR  44  -4.681   0.134  -7.431
  300    HE1  TYR  44           HE1      TYR  44  -7.393   2.061 -11.051
  301    HE2  TYR  44           HE2      TYR  44  -3.582   1.305  -9.293
  302    HH   TYR  44           HH       TYR  44  -5.324   3.181 -11.585
  303    H    ARG  45           HN       ARG  45 -10.167   1.423  -4.967
  304    HA   ARG  45           HA       ARG  45 -11.833   0.541  -3.688
  305    HB2  ARG  45           HB2      ARG  45 -10.787  -2.170  -4.443
  306    HB3  ARG  45           HB3      ARG  45 -12.440  -1.726  -4.026
  307    HG2  ARG  45           HG2      ARG  45 -12.838  -1.630  -6.213
  308    HG3  ARG  45           HG3      ARG  45 -11.861  -0.158  -6.233
  309    HD2  ARG  45           HD2      ARG  45 -11.065  -1.743  -7.910
  310    HD3  ARG  45           HD3      ARG  45  -9.842  -1.489  -6.644
  311    HE   ARG  45           HE       ARG  45 -11.381  -3.676  -5.869
  312   HH11  ARG  45          HH12      ARG  45  -9.268  -2.879  -8.562
  313   HH12  ARG  45          HH11      ARG  45  -8.764  -4.525  -8.799
  314   HH21  ARG  45          HH22      ARG  45 -10.721  -5.826  -6.194
  315   HH22  ARG  45          HH21      ARG  45  -9.572  -6.195  -7.454
  316    H    ASP  46           HN       ASP  46 -11.831  -1.953  -2.322
  317    HA   ASP  46           HA       ASP  46  -9.719  -1.552  -0.330
  318    HB2  ASP  46           HB2      ASP  46 -11.783  -0.416   0.467
  319    HB3  ASP  46           HB3      ASP  46 -12.647  -1.946   0.337
  320    H    LEU  47           HN       LEU  47  -9.041  -3.348  -1.775
  321    HA   LEU  47           HA       LEU  47 -10.353  -5.834  -1.651
  322    HB2  LEU  47           HB2      LEU  47  -8.285  -6.749  -2.585
  323    HB3  LEU  47           HB3      LEU  47  -8.808  -5.301  -3.421
  324    HG   LEU  47           HG       LEU  47  -7.086  -4.085  -1.902
  325   HD11  LEU  47          HD11      LEU  47  -5.137  -5.461  -1.335
  326   HD12  LEU  47          HD12      LEU  47  -6.570  -5.946  -0.428
  327   HD13  LEU  47          HD13      LEU  47  -6.029  -6.908  -1.805
  328   HD21  LEU  47          HD21      LEU  47  -6.947  -4.307  -4.332
  329   HD22  LEU  47          HD22      LEU  47  -5.360  -4.459  -3.574
  330   HD23  LEU  47          HD23      LEU  47  -6.207  -5.898  -4.144
  331    H    LYS  48           HN       LYS  48  -8.903  -4.200   0.859
  332    HA   LYS  48           HA       LYS  48  -7.912  -6.647   2.086
  333    HB2  LYS  48           HB2      LYS  48  -7.149  -5.051   3.953
  334    HB3  LYS  48           HB3      LYS  48  -6.259  -5.106   2.444
  335    HG2  LYS  48           HG2      LYS  48  -8.402  -3.077   2.755
  336    HG3  LYS  48           HG3      LYS  48  -6.884  -2.849   3.621
  337    HD2  LYS  48           HD2      LYS  48  -5.863  -3.403   1.243
  338    HD3  LYS  48           HD3      LYS  48  -7.437  -2.811   0.701
  339    HE2  LYS  48           HE2      LYS  48  -5.942  -0.936   0.740
  340    HE3  LYS  48           HE3      LYS  48  -7.057  -0.777   2.101
  341    HZ1  LYS  48           HZ1      LYS  48  -4.229  -1.675   2.187
  342    HZ2  LYS  48           HZ2      LYS  48  -5.288  -1.844   3.497
  343    HZ3  LYS  48           HZ3      LYS  48  -4.906  -0.302   2.918
  344    H    TRP  49           HN       TRP  49 -10.056  -3.945   3.086
  345    HA   TRP  49           HA       TRP  49 -11.045  -5.757   5.167
  346    HB2  TRP  49           HB2      TRP  49 -10.315  -3.593   5.957
  347    HB3  TRP  49           HB3      TRP  49 -11.396  -2.779   4.834
  348    HD1  TRP  49           HD1      TRP  49 -13.642  -2.057   5.826
  349    HE1  TRP  49           HE1      TRP  49 -15.031  -2.682   7.905
  350    HE3  TRP  49           HE3      TRP  49 -10.752  -5.883   7.612
  351    HZ2  TRP  49           HZ2      TRP  49 -14.913  -4.558  10.013
  352    HZ3  TRP  49           HZ3      TRP  49 -11.462  -7.037   9.663
  353    HH2  TRP  49           HH2      TRP  49 -13.498  -6.387  10.838
  354    H    TRP  50           HN       TRP  50 -12.290  -3.768   2.504
  355    HA   TRP  50           HA       TRP  50 -15.006  -4.381   3.367
  356    HB2  TRP  50           HB2      TRP  50 -14.158  -2.056   2.739
  357    HB3  TRP  50           HB3      TRP  50 -14.221  -2.607   1.070
  358    HD1  TRP  50           HD1      TRP  50 -16.402  -2.024  -0.122
  359    HE1  TRP  50           HE1      TRP  50 -18.822  -1.501   0.592
  360    HE3  TRP  50           HE3      TRP  50 -15.937  -2.786   4.912
  361    HZ2  TRP  50           HZ2      TRP  50 -20.326  -1.433   2.980
  362    HZ3  TRP  50           HZ3      TRP  50 -17.914  -2.474   6.340
  363    HH2  TRP  50           HH2      TRP  50 -20.064  -1.810   5.392
  364    H    GLU  51           HN       GLU  51 -13.033  -4.725   0.431
  365    HA   GLU  51           HA       GLU  51 -15.250  -5.850  -1.008
  366    HB2  GLU  51           HB2      GLU  51 -12.359  -5.410  -1.741
  367    HB3  GLU  51           HB3      GLU  51 -13.528  -6.156  -2.831
  368    HG2  GLU  51           HG2      GLU  51 -14.852  -3.926  -2.167
  369    HG3  GLU  51           HG3      GLU  51 -13.183  -3.368  -1.987
  370    H    LEU  52           HN       LEU  52 -12.047  -7.110  -0.071
  371    HA   LEU  52           HA       LEU  52 -13.033  -9.791  -0.701
  372    HB2  LEU  52           HB2      LEU  52 -10.228  -9.004   0.023
  373    HB3  LEU  52           HB3      LEU  52 -10.757 -10.489  -0.746
  374    HG   LEU  52           HG       LEU  52 -10.791  -7.732  -1.965
  375   HD11  LEU  52          HD11      LEU  52  -9.097  -8.652  -3.479
  376   HD12  LEU  52          HD12      LEU  52  -8.558  -8.726  -1.803
  377   HD13  LEU  52          HD13      LEU  52  -9.141 -10.184  -2.608
  378   HD21  LEU  52          HD21      LEU  52 -11.607 -10.391  -3.156
  379   HD22  LEU  52          HD22      LEU  52 -12.695  -9.070  -2.733
  380   HD23  LEU  52          HD23      LEU  52 -11.512  -8.858  -4.023
  381    H    ARG  53           HN       ARG  53 -11.703  -7.888   1.891
  382    HA   ARG  53           HA       ARG  53 -11.468  -8.219   4.130
  383    HB2  ARG  53           HB2      ARG  53 -13.901  -8.495   4.037
  384    HB3  ARG  53           HB3      ARG  53 -13.708 -10.207   3.690
  385    HG2  ARG  53           HG2      ARG  53 -12.624 -10.480   5.902
  386    HG3  ARG  53           HG3      ARG  53 -12.976  -8.781   6.239
  387    HD2  ARG  53           HD2      ARG  53 -15.346  -9.189   6.039
  388    HD3  ARG  53           HD3      ARG  53 -15.053 -10.856   5.548
  389    HE   ARG  53           HE       ARG  53 -13.946 -10.236   8.119
  390   HH11  ARG  53          HH12      ARG  53 -16.826 -11.229   6.402
  391   HH12  ARG  53          HH11      ARG  53 -17.567 -11.962   7.795
  392   HH21  ARG  53          HH22      ARG  53 -14.897 -11.216   9.961
  393   HH22  ARG  53          HH21      ARG  53 -16.464 -11.952   9.818
  Start of MODEL    3
    1    H1   ASN   1           H1       ASN   1  15.772  -7.045   4.766
    2    H2   ASN   1           H2       ASN   1  14.656  -5.817   4.430
    3    H3   ASN   1           H3       ASN   1  16.190  -5.784   3.706
    4    HA   ASN   1           HA       ASN   1  14.591  -6.507   2.106
    5    HB2  ASN   1           HB2      ASN   1  16.397  -8.684   3.172
    6    HB3  ASN   1           HB3      ASN   1  15.501  -8.839   1.664
    7   HD21  ASN   1          HD21      ASN   1  18.406  -8.734   2.243
    8   HD22  ASN   1          HD22      ASN   1  19.021  -7.448   1.253
    9    H    SER   2           HN       SER   2  12.990  -8.010   1.444
   10    HA   SER   2           HA       SER   2  11.105  -9.238   1.657
   11    HB2  SER   2           HB2      SER   2  12.349 -10.347   4.188
   12    HB3  SER   2           HB3      SER   2  11.097 -11.099   3.199
   13    HG   SER   2           HG       SER   2  12.603 -11.871   1.951
   14    H    ASP   3           HN       ASP   3  10.077  -7.176   2.020
   15    HA   ASP   3           HA       ASP   3   8.698  -5.707   3.087
   16    HB2  ASP   3           HB2      ASP   3   8.217  -8.283   4.505
   17    HB3  ASP   3           HB3      ASP   3   7.414  -6.829   5.083
   18    H    SER   4           HN       SER   4  10.683  -4.529   3.797
   19    HA   SER   4           HA       SER   4  10.704  -4.345   6.700
   20    HB2  SER   4           HB2      SER   4  13.190  -4.378   6.753
   21    HB3  SER   4           HB3      SER   4  12.495  -5.916   6.243
   22    HG   SER   4           HG       SER   4  13.790  -3.940   4.687
   23    H    GLU   5           HN       GLU   5  10.987  -2.360   7.464
   24    HA   GLU   5           HA       GLU   5  11.160  -0.105   7.562
   25    HB2  GLU   5           HB2      GLU   5  13.522  -0.960   7.597
   26    HB3  GLU   5           HB3      GLU   5  13.631  -0.525   5.896
   27    HG2  GLU   5           HG2      GLU   5  13.111   1.812   6.494
   28    HG3  GLU   5           HG3      GLU   5  13.111   1.345   8.194
   29    H    CYS   6           HN       CYS   6  12.848  -0.011   4.511
   30    HA   CYS   6           HA       CYS   6  12.463   1.028   2.536
   31    HB2  CYS   6           HB2      CYS   6  10.327  -0.140   2.381
   32    HB3  CYS   6           HB3      CYS   6   9.564   1.061   3.413
   33    HA   PRO   7           HA       PRO   7  12.997   5.169   4.032
   34    HB2  PRO   7           HB2      PRO   7  13.738   6.313   1.697
   35    HB3  PRO   7           HB3      PRO   7  14.811   5.247   2.610
   36    HG2  PRO   7           HG2      PRO   7  13.123   4.639   0.218
   37    HG3  PRO   7           HG3      PRO   7  14.787   4.141   0.567
   38    HD2  PRO   7           HD2      PRO   7  12.640   2.515   0.934
   39    HD3  PRO   7           HD3      PRO   7  14.115   2.402   1.916
   40    H    LEU   8           HN       LEU   8  12.022   7.204   3.875
   41    HA   LEU   8           HA       LEU   8   9.242   7.089   3.504
   42    HB2  LEU   8           HB2      LEU   8  10.560   8.513   5.088
   43    HB3  LEU   8           HB3      LEU   8  10.907   9.578   3.747
   44    HG   LEU   8           HG       LEU   8   8.493  10.013   3.476
   45   HD11  LEU   8          HD11      LEU   8   8.221   8.327   5.959
   46   HD12  LEU   8          HD12      LEU   8   6.940   9.299   5.233
   47   HD13  LEU   8          HD13      LEU   8   7.618   7.929   4.350
   48   HD21  LEU   8          HD21      LEU   8   9.824  11.522   4.832
   49   HD22  LEU   8          HD22      LEU   8   8.202  11.355   5.505
   50   HD23  LEU   8          HD23      LEU   8   9.556  10.509   6.252
   51    H    SER   9           HN       SER   9  11.405   7.299   1.093
   52    HA   SER   9           HA       SER   9  10.367   9.441  -0.471
   53    HB2  SER   9           HB2      SER   9  12.057   7.106  -1.395
   54    HB3  SER   9           HB3      SER   9  11.894   8.681  -2.173
   55    HG   SER   9           HG       SER   9  12.859   9.597  -0.270
   56    H    HIS  10           HN       HIS  10   9.751   6.072   0.002
   57    HA   HIS  10           HA       HIS  10   7.979   6.003  -2.306
   58    HB2  HIS  10           HB2      HIS  10   8.678   3.744  -0.425
   59    HB3  HIS  10           HB3      HIS  10   7.812   3.603  -1.951
   60    HD1  HIS  10           HD1      HIS  10   9.263   4.163  -4.150
   61    HD2  HIS  10           HD2      HIS  10  11.391   3.578  -0.620
   62    HE1  HIS  10           HE1      HIS  10  11.653   3.775  -4.846
   63    HE2  HIS  10           HE2      HIS  10  12.935   3.483  -2.690
   64    H    ASP  11           HN       ASP  11   7.900   5.338   1.163
   65    HA   ASP  11           HA       ASP  11   5.214   5.081   1.639
   66    HB2  ASP  11           HB2      ASP  11   7.019   4.854   3.340
   67    HB3  ASP  11           HB3      ASP  11   7.209   6.602   3.336
   68    H    GLY  12           HN       GLY  12   7.117   8.075   1.551
   69    HA2  GLY  12           HA1      GLY  12   4.902   9.819   1.861
   70    HA3  GLY  12           HA2      GLY  12   6.506  10.267   1.295
   71    H    TYR  13           HN       TYR  13   6.311   8.199  -0.885
   72    HA   TYR  13           HA       TYR  13   5.048   9.863  -2.850
   73    HB2  TYR  13           HB2      TYR  13   7.007   8.424  -3.361
   74    HB3  TYR  13           HB3      TYR  13   5.995   7.001  -3.135
   75    HD1  TYR  13           HD2      TYR  13   6.227  10.118  -5.182
   76    HD2  TYR  13           HD1      TYR  13   4.872   6.089  -4.948
   77    HE1  TYR  13           HE2      TYR  13   5.559  10.208  -7.548
   78    HE2  TYR  13           HE1      TYR  13   4.204   6.172  -7.310
   79    HH   TYR  13           HH       TYR  13   5.190   8.638  -9.411
   80    H    CYS  14           HN       CYS  14   4.096   7.095  -0.965
   81    HA   CYS  14           HA       CYS  14   1.790   6.317  -2.350
   82    HB2  CYS  14           HB2      CYS  14   2.560   6.173   0.563
   83    HB3  CYS  14           HB3      CYS  14   1.037   5.526  -0.036
   84    H    LEU  15           HN       LEU  15  -0.491   6.702  -1.659
   85    HA   LEU  15           HA       LEU  15  -0.742   9.623  -1.591
   86    HB2  LEU  15           HB2      LEU  15  -2.792   7.673  -2.597
   87    HB3  LEU  15           HB3      LEU  15  -2.701   9.397  -2.905
   88    HG   LEU  15           HG       LEU  15  -0.736   7.360  -3.914
   89   HD11  LEU  15          HD11      LEU  15  -1.781   7.742  -6.094
   90   HD12  LEU  15          HD12      LEU  15  -2.938   7.094  -4.931
   91   HD13  LEU  15          HD13      LEU  15  -2.965   8.810  -5.338
   92   HD21  LEU  15          HD21      LEU  15  -1.056  10.297  -4.535
   93   HD22  LEU  15          HD22      LEU  15   0.257   9.565  -3.613
   94   HD23  LEU  15          HD23      LEU  15   0.073   9.197  -5.328
   95    H    HIS  16           HN       HIS  16  -3.203   7.143  -1.029
   96    HA   HIS  16           HA       HIS  16  -4.304   8.942   0.968
   97    HB2  HIS  16           HB2      HIS  16  -5.448   6.484  -0.358
   98    HB3  HIS  16           HB3      HIS  16  -6.300   7.425   0.862
   99    HD1  HIS  16           HD1      HIS  16  -6.831   9.976   0.171
  100    HD2  HIS  16           HD2      HIS  16  -5.659   7.437  -2.913
  101    HE1  HIS  16           HE1      HIS  16  -7.490  11.139  -1.962
  102    HE2  HIS  16           HE2      HIS  16  -6.756   9.602  -3.819
  103    H    ASP  17           HN       ASP  17  -2.151   8.076   2.030
  104    HA   ASP  17           HA       ASP  17  -1.633   7.647   4.223
  105    HB2  ASP  17           HB2      ASP  17  -4.083   7.458   4.700
  106    HB3  ASP  17           HB3      ASP  17  -3.973   5.752   4.290
  107    H    GLY  18           HN       GLY  18  -1.275   5.993   1.608
  108    HA2  GLY  18           HA1      GLY  18  -0.522   3.449   2.078
  109    HA3  GLY  18           HA2      GLY  18   0.293   4.513   0.956
  110    H    VAL  19           HN       VAL  19   1.730   2.706   1.787
  111    HA   VAL  19           HA       VAL  19   3.737   3.638   3.586
  112    HB   VAL  19           HB       VAL  19   1.791   1.477   4.417
  113   HG11  VAL  19          HG11      VAL  19   3.378   0.670   6.098
  114   HG12  VAL  19          HG12      VAL  19   4.007   0.421   4.469
  115   HG13  VAL  19          HG13      VAL  19   4.617   1.749   5.457
  116   HG21  VAL  19          HG21      VAL  19   3.088   3.739   5.924
  117   HG22  VAL  19          HG22      VAL  19   1.422   3.674   5.348
  118   HG23  VAL  19          HG23      VAL  19   1.964   2.568   6.612
  119    H    CYS  20           HN       CYS  20   5.655   2.186   3.285
  120    HA   CYS  20           HA       CYS  20   5.245   0.495   0.913
  121    HB2  CYS  20           HB2      CYS  20   7.389   1.275   0.024
  122    HB3  CYS  20           HB3      CYS  20   6.267   2.613   0.235
  123    H    MET  21           HN       MET  21   5.942  -1.504   1.115
  124    HA   MET  21           HA       MET  21   8.448  -2.082   2.339
  125    HB2  MET  21           HB2      MET  21   7.631  -3.563   4.109
  126    HB3  MET  21           HB3      MET  21   7.108  -1.913   4.369
  127    HG2  MET  21           HG2      MET  21   4.892  -2.458   3.554
  128    HG3  MET  21           HG3      MET  21   5.408  -4.108   3.212
  129    HE1  MET  21           HE1      MET  21   4.761  -1.431   5.998
  130    HE2  MET  21           HE2      MET  21   5.126  -2.334   7.467
  131    HE3  MET  21           HE3      MET  21   6.421  -1.919   6.344
  132    H    TYR  22           HN       TYR  22   9.136  -3.273   0.594
  133    HA   TYR  22           HA       TYR  22   8.270  -5.983   0.765
  134    HB2  TYR  22           HB2      TYR  22   7.213  -4.502  -1.330
  135    HB3  TYR  22           HB3      TYR  22   8.543  -5.414  -2.034
  136    HD1  TYR  22           HD1      TYR  22   5.557  -5.853   0.134
  137    HD2  TYR  22           HD2      TYR  22   8.188  -7.631  -2.690
  138    HE1  TYR  22           HE1      TYR  22   4.114  -7.836   0.059
  139    HE2  TYR  22           HE2      TYR  22   6.752  -9.625  -2.775
  140    HH   TYR  22           HH       TYR  22   3.609  -9.674  -1.509
  141    H    ILE  23           HN       ILE  23  10.244  -3.731  -0.962
  142    HA   ILE  23           HA       ILE  23  12.337  -4.425  -2.024
  143    HB   ILE  23           HB       ILE  23  13.972  -3.370  -0.420
  144   HG12  ILE  23          HG12      ILE  23  11.459  -2.851   1.189
  145   HG13  ILE  23          HG13      ILE  23  12.758  -3.942   1.667
  146   HG21  ILE  23          HG21      ILE  23  11.470  -1.854  -1.144
  147   HG22  ILE  23          HG22      ILE  23  13.028  -1.134  -0.738
  148   HG23  ILE  23          HG23      ILE  23  12.866  -2.129  -2.185
  149   HD11  ILE  23          HD11      ILE  23  13.031  -0.973   1.248
  150   HD12  ILE  23          HD12      ILE  23  12.915  -1.795   2.805
  151   HD13  ILE  23          HD13      ILE  23  14.309  -2.074   1.762
  152    H    GLU  24           HN       GLU  24  12.392  -6.642  -2.150
  153    HA   GLU  24           HA       GLU  24  13.540  -8.202   0.028
  154    HB2  GLU  24           HB2      GLU  24  12.402  -8.826  -2.674
  155    HB3  GLU  24           HB3      GLU  24  13.097 -10.067  -1.636
  156    HG2  GLU  24           HG2      GLU  24  11.381  -9.805  -0.041
  157    HG3  GLU  24           HG3      GLU  24  10.824  -8.296  -0.777
  158    H    ALA  25           HN       ALA  25  15.087  -6.197  -1.423
  159    HA   ALA  25           HA       ALA  25  17.107  -5.851  -2.396
  160    HB1  ALA  25           HB1      ALA  25  18.721  -7.653  -2.651
  161    HB2  ALA  25           HB2      ALA  25  17.979  -7.718  -1.054
  162    HB3  ALA  25           HB3      ALA  25  17.472  -8.850  -2.307
  163    H    LEU  26           HN       LEU  26  14.506  -6.820  -3.631
  164    HA   LEU  26           HA       LEU  26  15.481  -7.236  -6.363
  165    HB2  LEU  26           HB2      LEU  26  12.811  -8.007  -5.191
  166    HB3  LEU  26           HB3      LEU  26  13.313  -8.269  -6.849
  167    HG   LEU  26           HG       LEU  26  14.639  -9.543  -4.457
  168   HD11  LEU  26          HD11      LEU  26  12.640 -10.681  -6.402
  169   HD12  LEU  26          HD12      LEU  26  13.487 -11.579  -5.143
  170   HD13  LEU  26          HD13      LEU  26  12.342 -10.316  -4.703
  171   HD21  LEU  26          HD21      LEU  26  15.669 -10.996  -6.127
  172   HD22  LEU  26          HD22      LEU  26  14.878 -10.083  -7.413
  173   HD23  LEU  26          HD23      LEU  26  16.094  -9.305  -6.402
  174    H    ASP  27           HN       ASP  27  14.449  -5.038  -4.308
  175    HA   ASP  27           HA       ASP  27  13.727  -2.905  -4.498
  176    HB2  ASP  27           HB2      ASP  27  15.174  -3.190  -6.661
  177    HB3  ASP  27           HB3      ASP  27  13.618  -3.123  -7.483
  178    H    LYS  28           HN       LYS  28  11.904  -4.468  -3.765
  179    HA   LYS  28           HA       LYS  28   9.562  -4.324  -5.523
  180    HB2  LYS  28           HB2      LYS  28   9.814  -5.732  -2.861
  181    HB3  LYS  28           HB3      LYS  28   8.566  -5.965  -4.076
  182    HG2  LYS  28           HG2      LYS  28  11.444  -6.581  -4.656
  183    HG3  LYS  28           HG3      LYS  28  10.368  -7.754  -3.894
  184    HD2  LYS  28           HD2      LYS  28   9.744  -6.393  -6.511
  185    HD3  LYS  28           HD3      LYS  28  10.591  -7.937  -6.402
  186    HE2  LYS  28           HE2      LYS  28   7.872  -7.417  -5.205
  187    HE3  LYS  28           HE3      LYS  28   8.124  -8.116  -6.803
  188    HZ1  LYS  28           HZ1      LYS  28   9.086  -9.294  -4.238
  189    HZ2  LYS  28           HZ2      LYS  28   9.281  -9.969  -5.785
  190    HZ3  LYS  28           HZ3      LYS  28   7.732  -9.816  -5.122
  191    H    TYR  29           HN       TYR  29   7.581  -3.521  -4.738
  192    HA   TYR  29           HA       TYR  29   7.679  -1.799  -2.378
  193    HB2  TYR  29           HB2      TYR  29   6.506  -0.831  -4.986
  194    HB3  TYR  29           HB3      TYR  29   6.743   0.088  -3.513
  195    HD1  TYR  29           HD2      TYR  29   9.498  -0.423  -2.832
  196    HD2  TYR  29           HD1      TYR  29   7.753   0.200  -6.662
  197    HE1  TYR  29           HE2      TYR  29  11.656   0.384  -3.672
  198    HE2  TYR  29           HE1      TYR  29   9.917   1.003  -7.517
  199    HH   TYR  29           HH       TYR  29  12.090   2.146  -6.251
  200    H    ALA  30           HN       ALA  30   6.102  -2.861  -1.213
  201    HA   ALA  30           HA       ALA  30   3.462  -3.015  -2.486
  202    HB1  ALA  30           HB1      ALA  30   4.139  -5.022  -1.256
  203    HB2  ALA  30           HB2      ALA  30   4.349  -4.059   0.205
  204    HB3  ALA  30           HB3      ALA  30   2.745  -4.249  -0.501
  205    H    CYS  31           HN       CYS  31   2.290  -1.227  -2.313
  206    HA   CYS  31           HA       CYS  31   2.734   0.520   0.003
  207    HB2  CYS  31           HB2      CYS  31   3.181   1.683  -2.068
  208    HB3  CYS  31           HB3      CYS  31   1.643   1.156  -2.745
  209    H    ASN  32           HN       ASN  32   1.150   0.826   1.406
  210    HA   ASN  32           HA       ASN  32  -1.518  -0.148   0.696
  211    HB2  ASN  32           HB2      ASN  32  -0.256  -1.838   2.020
  212    HB3  ASN  32           HB3      ASN  32  -0.071  -0.650   3.305
  213   HD21  ASN  32          HD21      ASN  32  -1.152  -1.801   4.831
  214   HD22  ASN  32          HD22      ASN  32  -2.850  -2.104   4.774
  215    H    CYS  33           HN       CYS  33  -2.654   1.600   0.574
  216    HA   CYS  33           HA       CYS  33  -2.138   3.817   2.322
  217    HB2  CYS  33           HB2      CYS  33  -3.979   3.412  -0.013
  218    HB3  CYS  33           HB3      CYS  33  -4.089   4.846   1.001
  219    H    VAL  34           HN       VAL  34  -5.469   2.985   1.467
  220    HA   VAL  34           HA       VAL  34  -6.010   2.670   4.331
  221    HB   VAL  34           HB       VAL  34  -6.350   5.062   3.651
  222   HG11  VAL  34          HG11      VAL  34  -8.561   3.927   1.950
  223   HG12  VAL  34          HG12      VAL  34  -8.286   5.639   2.277
  224   HG13  VAL  34          HG13      VAL  34  -7.089   4.710   1.371
  225   HG21  VAL  34          HG21      VAL  34  -8.828   3.568   4.507
  226   HG22  VAL  34          HG22      VAL  34  -7.538   4.139   5.563
  227   HG23  VAL  34          HG23      VAL  34  -8.555   5.298   4.707
  228    H    VAL  35           HN       VAL  35  -7.929   1.509   4.762
  229    HA   VAL  35           HA       VAL  35  -8.518  -0.490   2.873
  230    HB   VAL  35           HB       VAL  35 -10.213  -1.274   4.469
  231   HG11  VAL  35          HG11      VAL  35  -8.672  -1.733   6.319
  232   HG12  VAL  35          HG12      VAL  35  -7.877  -1.903   4.755
  233   HG13  VAL  35          HG13      VAL  35  -7.595  -0.466   5.734
  234   HG21  VAL  35          HG21      VAL  35 -10.500  -0.130   6.627
  235   HG22  VAL  35          HG22      VAL  35  -9.474   1.189   6.067
  236   HG23  VAL  35          HG23      VAL  35 -11.030   0.892   5.291
  237    H    GLY  36           HN       GLY  36  -9.057   0.760   1.081
  238    HA2  GLY  36           HA1      GLY  36 -11.671   0.912   0.317
  239    HA3  GLY  36           HA2      GLY  36 -11.336   2.494   1.021
  240    H    TYR  37           HN       TYR  37  -8.441   1.907   0.150
  241    HA   TYR  37           HA       TYR  37  -8.707   2.148  -2.750
  242    HB2  TYR  37           HB2      TYR  37  -7.029   4.008  -1.047
  243    HB3  TYR  37           HB3      TYR  37  -7.018   3.954  -2.802
  244    HD1  TYR  37           HD1      TYR  37  -9.358   4.345  -3.931
  245    HD2  TYR  37           HD2      TYR  37  -8.358   5.581   0.011
  246    HE1  TYR  37           HE1      TYR  37 -11.178   5.992  -3.996
  247    HE2  TYR  37           HE2      TYR  37 -10.177   7.237  -0.045
  248    HH   TYR  37           HH       TYR  37 -11.474   8.498  -1.791
  249    H    ILE  38           HN       ILE  38  -7.642   0.254  -3.323
  250    HA   ILE  38           HA       ILE  38  -4.779   0.545  -3.007
  251    HB   ILE  38           HB       ILE  38  -5.904  -1.252  -1.369
  252   HG12  ILE  38          HG12      ILE  38  -3.592  -0.375  -1.410
  253   HG13  ILE  38          HG13      ILE  38  -3.676  -2.094  -1.023
  254   HG21  ILE  38          HG21      ILE  38  -5.439  -3.509  -2.174
  255   HG22  ILE  38          HG22      ILE  38  -6.684  -2.722  -3.145
  256   HG23  ILE  38          HG23      ILE  38  -5.038  -2.857  -3.764
  257   HD11  ILE  38          HD11      ILE  38  -1.826  -1.651  -2.510
  258   HD12  ILE  38          HD12      ILE  38  -3.046  -2.612  -3.348
  259   HD13  ILE  38          HD13      ILE  38  -2.908  -0.883  -3.673
  260    H    GLY  39           HN       GLY  39  -3.901   0.562  -4.916
  261    HA2  GLY  39           HA1      GLY  39  -4.420  -1.440  -6.883
  262    HA3  GLY  39           HA2      GLY  39  -5.121   0.114  -7.343
  263    H    GLU  40           HN       GLU  40  -2.294  -1.752  -7.168
  264    HA   GLU  40           HA       GLU  40  -0.173  -1.426  -7.880
  265    HB2  GLU  40           HB2      GLU  40  -0.711   0.017  -9.692
  266    HB3  GLU  40           HB3      GLU  40  -1.213   1.308  -8.609
  267    HG2  GLU  40           HG2      GLU  40   1.176   1.464  -7.844
  268    HG3  GLU  40           HG3      GLU  40   1.583   0.357  -9.161
  269    H    ARG  41           HN       ARG  41  -1.574   1.233  -6.180
  270    HA   ARG  41           HA       ARG  41   0.177   0.755  -3.967
  271    HB2  ARG  41           HB2      ARG  41   0.383   3.469  -4.038
  272    HB3  ARG  41           HB3      ARG  41   1.575   2.315  -4.618
  273    HG2  ARG  41           HG2      ARG  41   1.380   3.862  -6.337
  274    HG3  ARG  41           HG3      ARG  41   0.479   2.446  -6.858
  275    HD2  ARG  41           HD2      ARG  41  -1.590   3.659  -5.998
  276    HD3  ARG  41           HD3      ARG  41  -0.572   5.101  -5.953
  277    HE   ARG  41           HE       ARG  41  -0.882   3.506  -8.416
  278   HH11  ARG  41          HH12      ARG  41  -1.055   6.599  -6.773
  279   HH12  ARG  41          HH11      ARG  41  -1.258   7.499  -8.241
  280   HH21  ARG  41          HH22      ARG  41  -1.129   4.676 -10.317
  281   HH22  ARG  41          HH21      ARG  41  -1.325   6.408 -10.262
  282    H    CYS  42           HN       CYS  42  -2.691   2.259  -5.224
  283    HA   CYS  42           HA       CYS  42  -4.413   1.613  -3.393
  284    HB2  CYS  42           HB2      CYS  42  -4.691   3.439  -1.774
  285    HB3  CYS  42           HB3      CYS  42  -3.197   2.543  -1.546
  286    H    GLN  43           HN       GLN  43  -5.902   1.783  -4.898
  287    HA   GLN  43           HA       GLN  43  -7.331   4.201  -4.947
  288    HB2  GLN  43           HB2      GLN  43  -7.054   4.968  -7.229
  289    HB3  GLN  43           HB3      GLN  43  -5.511   4.985  -6.375
  290    HG2  GLN  43           HG2      GLN  43  -4.870   2.911  -7.496
  291    HG3  GLN  43           HG3      GLN  43  -6.418   2.882  -8.339
  292   HE21  GLN  43          HE21      GLN  43  -3.783   2.938  -9.492
  293   HE22  GLN  43          HE22      GLN  43  -3.688   4.381 -10.439
  294    H    TYR  44           HN       TYR  44  -7.422   1.100  -4.986
  295    HA   TYR  44           HA       TYR  44  -9.942   1.004  -6.434
  296    HB2  TYR  44           HB2      TYR  44  -7.590  -0.832  -6.882
  297    HB3  TYR  44           HB3      TYR  44  -9.238  -1.326  -7.257
  298    HD1  TYR  44           HD1      TYR  44 -10.517   0.034  -8.990
  299    HD2  TYR  44           HD2      TYR  44  -6.317   0.412  -8.411
  300    HE1  TYR  44           HE1      TYR  44 -10.309   1.080 -11.202
  301    HE2  TYR  44           HE2      TYR  44  -6.102   1.461 -10.623
  302    HH   TYR  44           HH       TYR  44  -7.321   1.552 -12.750
  303    H    ARG  45           HN       ARG  45 -11.256   0.635  -4.788
  304    HA   ARG  45           HA       ARG  45 -12.456  -0.794  -3.482
  305    HB2  ARG  45           HB2      ARG  45 -10.289  -2.752  -4.203
  306    HB3  ARG  45           HB3      ARG  45 -11.849  -3.176  -3.488
  307    HG2  ARG  45           HG2      ARG  45 -12.712  -3.383  -5.519
  308    HG3  ARG  45           HG3      ARG  45 -12.322  -1.695  -5.870
  309    HD2  ARG  45           HD2      ARG  45 -10.030  -2.391  -6.493
  310    HD3  ARG  45           HD3      ARG  45 -10.500  -4.073  -6.233
  311    HE   ARG  45           HE       ARG  45 -12.332  -3.130  -8.018
  312   HH11  ARG  45          HH12      ARG  45  -8.833  -3.427  -7.935
  313   HH12  ARG  45          HH11      ARG  45  -8.672  -3.455  -9.667
  314   HH21  ARG  45          HH22      ARG  45 -12.124  -3.192 -10.279
  315   HH22  ARG  45          HH21      ARG  45 -10.543  -3.343 -11.003
  316    H    ASP  46           HN       ASP  46 -12.241  -2.295  -1.605
  317    HA   ASP  46           HA       ASP  46 -10.042  -1.479   0.153
  318    HB2  ASP  46           HB2      ASP  46 -11.867  -2.030   1.975
  319    HB3  ASP  46           HB3      ASP  46 -11.817  -0.451   1.204
  320    H    LEU  47           HN       LEU  47  -9.547  -3.534  -1.367
  321    HA   LEU  47           HA       LEU  47 -10.315  -6.088  -0.827
  322    HB2  LEU  47           HB2      LEU  47  -7.517  -5.060  -1.291
  323    HB3  LEU  47           HB3      LEU  47  -7.935  -6.759  -1.296
  324    HG   LEU  47           HG       LEU  47  -9.567  -6.157  -3.195
  325   HD11  LEU  47          HD11      LEU  47  -9.507  -3.744  -2.919
  326   HD12  LEU  47          HD12      LEU  47  -7.777  -3.737  -3.265
  327   HD13  LEU  47          HD13      LEU  47  -8.925  -4.208  -4.517
  328   HD21  LEU  47          HD21      LEU  47  -6.591  -5.956  -3.643
  329   HD22  LEU  47          HD22      LEU  47  -7.519  -7.451  -3.509
  330   HD23  LEU  47          HD23      LEU  47  -7.798  -6.356  -4.864
  331    H    LYS  48           HN       LYS  48  -8.262  -4.053   1.093
  332    HA   LYS  48           HA       LYS  48  -7.050  -6.058   2.650
  333    HB2  LYS  48           HB2      LYS  48  -6.790  -3.881   4.209
  334    HB3  LYS  48           HB3      LYS  48  -5.787  -4.185   2.797
  335    HG2  LYS  48           HG2      LYS  48  -8.344  -2.725   2.425
  336    HG3  LYS  48           HG3      LYS  48  -6.983  -1.857   3.167
  337    HD2  LYS  48           HD2      LYS  48  -5.809  -3.118   1.013
  338    HD3  LYS  48           HD3      LYS  48  -7.403  -2.699   0.394
  339    HE2  LYS  48           HE2      LYS  48  -5.536  -1.017   0.034
  340    HE3  LYS  48           HE3      LYS  48  -7.034  -0.374   0.694
  341    HZ1  LYS  48           HZ1      LYS  48  -5.193   0.515   1.899
  342    HZ2  LYS  48           HZ2      LYS  48  -4.532  -1.013   2.172
  343    HZ3  LYS  48           HZ3      LYS  48  -5.979  -0.568   2.929
  344    H    TRP  49           HN       TRP  49  -9.716  -3.817   3.427
  345    HA   TRP  49           HA       TRP  49 -10.213  -5.392   5.835
  346    HB2  TRP  49           HB2      TRP  49 -10.006  -3.044   6.269
  347    HB3  TRP  49           HB3      TRP  49 -11.189  -2.656   5.026
  348    HD1  TRP  49           HD1      TRP  49 -11.232  -4.835   8.261
  349    HE1  TRP  49           HE1      TRP  49 -13.452  -4.370   9.482
  350    HE3  TRP  49           HE3      TRP  49 -13.265  -1.467   4.987
  351    HZ2  TRP  49           HZ2      TRP  49 -15.755  -2.789   9.098
  352    HZ3  TRP  49           HZ3      TRP  49 -15.483  -0.528   5.492
  353    HH2  TRP  49           HH2      TRP  49 -16.699  -1.176   7.506
  354    H    TRP  50           HN       TRP  50 -12.080  -4.054   3.086
  355    HA   TRP  50           HA       TRP  50 -14.385  -5.458   4.219
  356    HB2  TRP  50           HB2      TRP  50 -14.447  -2.973   3.937
  357    HB3  TRP  50           HB3      TRP  50 -14.442  -3.236   2.197
  358    HD1  TRP  50           HD1      TRP  50 -16.789  -3.068   1.216
  359    HE1  TRP  50           HE1      TRP  50 -19.179  -3.606   2.012
  360    HE3  TRP  50           HE3      TRP  50 -15.705  -4.861   5.884
  361    HZ2  TRP  50           HZ2      TRP  50 -20.430  -4.657   4.309
  362    HZ3  TRP  50           HZ3      TRP  50 -17.559  -5.610   7.317
  363    HH2  TRP  50           HH2      TRP  50 -19.872  -5.509   6.545
  364    H    GLU  51           HN       GLU  51 -12.662  -5.052   1.135
  365    HA   GLU  51           HA       GLU  51 -14.671  -6.398  -0.371
  366    HB2  GLU  51           HB2      GLU  51 -11.833  -5.621  -0.999
  367    HB3  GLU  51           HB3      GLU  51 -12.816  -6.540  -2.133
  368    HG2  GLU  51           HG2      GLU  51 -13.487  -3.852  -0.998
  369    HG3  GLU  51           HG3      GLU  51 -12.812  -4.145  -2.601
  370    H    LEU  52           HN       LEU  52 -11.395  -7.386   0.578
  371    HA   LEU  52           HA       LEU  52 -12.056 -10.110  -0.230
  372    HB2  LEU  52           HB2      LEU  52  -9.425  -9.054   0.749
  373    HB3  LEU  52           HB3      LEU  52  -9.711 -10.579  -0.072
  374    HG   LEU  52           HG       LEU  52  -9.877  -7.810  -1.233
  375   HD11  LEU  52          HD11      LEU  52  -7.622  -8.689  -0.966
  376   HD12  LEU  52          HD12      LEU  52  -8.082 -10.173  -1.803
  377   HD13  LEU  52          HD13      LEU  52  -8.062  -8.640  -2.674
  378   HD21  LEU  52          HD21      LEU  52 -11.665  -9.174  -2.174
  379   HD22  LEU  52          HD22      LEU  52 -10.398  -8.914  -3.372
  380   HD23  LEU  52          HD23      LEU  52 -10.518 -10.463  -2.536
  381    H    ARG  53           HN       ARG  53 -11.068  -8.254   2.588
  382    HA   ARG  53           HA       ARG  53 -10.717 -10.625   4.190
  383    HB2  ARG  53           HB2      ARG  53  -9.534  -8.546   4.715
  384    HB3  ARG  53           HB3      ARG  53 -11.064  -7.766   5.087
  385    HG2  ARG  53           HG2      ARG  53  -9.901  -8.416   7.111
  386    HG3  ARG  53           HG3      ARG  53 -11.412  -9.311   6.941
  387    HD2  ARG  53           HD2      ARG  53  -9.720 -10.835   7.673
  388    HD3  ARG  53           HD3      ARG  53 -10.106 -11.208   5.995
  389    HE   ARG  53           HE       ARG  53  -7.971  -9.513   5.838
  390   HH11  ARG  53          HH12      ARG  53  -8.581 -12.550   7.485
  391   HH12  ARG  53          HH11      ARG  53  -6.919 -13.065   7.409
  392   HH21  ARG  53          HH22      ARG  53  -5.795 -10.199   5.721
  393   HH22  ARG  53          HH21      ARG  53  -5.333 -11.728   6.419
  Start of MODEL    4
    1    H1   ASN   1           H1       ASN   1  14.305 -11.917   3.384
    2    H2   ASN   1           H2       ASN   1  13.588 -12.730   4.686
    3    H3   ASN   1           H3       ASN   1  15.205 -12.246   4.781
    4    HA   ASN   1           HA       ASN   1  13.807 -10.795   6.078
    5    HB2  ASN   1           HB2      ASN   1  14.985  -9.582   3.571
    6    HB3  ASN   1           HB3      ASN   1  14.414  -8.623   4.932
    7   HD21  ASN   1          HD21      ASN   1  16.388  -7.777   5.432
    8   HD22  ASN   1          HD22      ASN   1  17.679  -8.717   6.104
    9    H    SER   2           HN       SER   2  12.551  -8.549   5.426
   10    HA   SER   2           HA       SER   2  10.489  -8.887   3.498
   11    HB2  SER   2           HB2      SER   2   9.854 -10.567   5.308
   12    HB3  SER   2           HB3      SER   2   9.626  -9.187   6.382
   13    HG   SER   2           HG       SER   2   8.286  -9.583   3.896
   14    H    ASP   3           HN       ASP   3  11.369  -6.809   3.090
   15    HA   ASP   3           HA       ASP   3  11.592  -4.561   3.204
   16    HB2  ASP   3           HB2      ASP   3   9.104  -4.690   3.328
   17    HB3  ASP   3           HB3      ASP   3   9.226  -4.645   5.084
   18    H    SER   4           HN       SER   4  13.534  -4.316   4.178
   19    HA   SER   4           HA       SER   4  13.697  -4.460   7.085
   20    HB2  SER   4           HB2      SER   4  15.897  -4.108   5.036
   21    HB3  SER   4           HB3      SER   4  16.119  -4.421   6.758
   22    HG   SER   4           HG       SER   4  14.583  -6.341   6.050
   23    H    GLU   5           HN       GLU   5  13.168  -2.121   4.762
   24    HA   GLU   5           HA       GLU   5  13.350   0.068   6.507
   25    HB2  GLU   5           HB2      GLU   5  15.772  -0.222   6.306
   26    HB3  GLU   5           HB3      GLU   5  15.648  -0.213   4.552
   27    HG2  GLU   5           HG2      GLU   5  16.479   1.907   5.350
   28    HG3  GLU   5           HG3      GLU   5  14.890   2.109   4.618
   29    H    CYS   6           HN       CYS   6  12.573   1.988   5.523
   30    HA   CYS   6           HA       CYS   6  12.148   2.013   2.671
   31    HB2  CYS   6           HB2      CYS   6   9.711   2.247   2.791
   32    HB3  CYS   6           HB3      CYS   6  10.239   0.683   3.396
   33    HA   PRO   7           HA       PRO   7  12.700   6.385   3.706
   34    HB2  PRO   7           HB2      PRO   7  12.434   6.509   0.757
   35    HB3  PRO   7           HB3      PRO   7  13.700   7.169   1.797
   36    HG2  PRO   7           HG2      PRO   7  14.157   5.033   0.261
   37    HG3  PRO   7           HG3      PRO   7  14.860   5.168   1.883
   38    HD2  PRO   7           HD2      PRO   7  12.504   3.570   0.965
   39    HD3  PRO   7           HD3      PRO   7  13.782   3.133   2.117
   40    H    LEU   8           HN       LEU   8  11.247   8.144   3.536
   41    HA   LEU   8           HA       LEU   8   8.526   7.376   3.587
   42    HB2  LEU   8           HB2      LEU   8   8.072   9.786   3.880
   43    HB3  LEU   8           HB3      LEU   8   9.218   9.124   5.022
   44    HG   LEU   8           HG       LEU   8  11.005  10.095   3.382
   45   HD11  LEU   8          HD11      LEU   8   8.602  11.784   2.699
   46   HD12  LEU   8          HD12      LEU   8  10.271  12.123   2.238
   47   HD13  LEU   8          HD13      LEU   8   9.454  10.698   1.599
   48   HD21  LEU   8          HD21      LEU   8  10.942  12.220   4.601
   49   HD22  LEU   8          HD22      LEU   8   9.314  11.840   5.168
   50   HD23  LEU   8          HD23      LEU   8  10.678  10.841   5.669
   51    H    SER   9           HN       SER   9  10.382   7.829   0.965
   52    HA   SER   9           HA       SER   9   8.637   9.337  -0.705
   53    HB2  SER   9           HB2      SER   9  10.921   7.508  -1.500
   54    HB3  SER   9           HB3      SER   9  10.186   8.770  -2.487
   55    HG   SER   9           HG       SER   9  11.973   9.704  -1.644
   56    H    HIS  10           HN       HIS  10   9.006   6.058   0.304
   57    HA   HIS  10           HA       HIS  10   7.344   5.013  -1.813
   58    HB2  HIS  10           HB2      HIS  10   9.183   3.684  -0.703
   59    HB3  HIS  10           HB3      HIS  10   8.181   3.628   0.741
   60    HD1  HIS  10           HD1      HIS  10   8.712   1.989  -2.527
   61    HD2  HIS  10           HD2      HIS  10   5.761   2.080   0.416
   62    HE1  HIS  10           HE1      HIS  10   7.231   0.012  -2.982
   63    HE2  HIS  10           HE2      HIS  10   5.504   0.029  -1.143
   64    H    ASP  11           HN       ASP  11   7.074   6.170   1.418
   65    HA   ASP  11           HA       ASP  11   4.383   5.331   1.919
   66    HB2  ASP  11           HB2      ASP  11   5.914   5.844   3.760
   67    HB3  ASP  11           HB3      ASP  11   6.108   7.489   3.174
   68    H    GLY  12           HN       GLY  12   5.980   8.290   0.887
   69    HA2  GLY  12           HA1      GLY  12   3.580   9.765   0.416
   70    HA3  GLY  12           HA2      GLY  12   5.201  10.216  -0.094
   71    H    TYR  13           HN       TYR  13   5.423   7.478  -1.407
   72    HA   TYR  13           HA       TYR  13   4.373   8.091  -3.973
   73    HB2  TYR  13           HB2      TYR  13   6.279   6.540  -3.616
   74    HB3  TYR  13           HB3      TYR  13   5.181   5.380  -2.882
   75    HD1  TYR  13           HD2      TYR  13   5.955   7.139  -6.060
   76    HD2  TYR  13           HD1      TYR  13   3.945   3.875  -4.217
   77    HE1  TYR  13           HE2      TYR  13   5.473   6.187  -8.276
   78    HE2  TYR  13           HE1      TYR  13   3.456   2.923  -6.425
   79    HH   TYR  13           HH       TYR  13   4.970   3.934  -9.248
   80    H    CYS  14           HN       CYS  14   2.992   6.772  -1.156
   81    HA   CYS  14           HA       CYS  14   0.673   5.732  -2.583
   82    HB2  CYS  14           HB2      CYS  14   1.897   5.312   0.009
   83    HB3  CYS  14           HB3      CYS  14   0.169   5.649   0.154
   84    H    LEU  15           HN       LEU  15  -1.472   6.385  -1.128
   85    HA   LEU  15           HA       LEU  15  -1.476   9.287  -1.575
   86    HB2  LEU  15           HB2      LEU  15  -3.805   7.448  -2.037
   87    HB3  LEU  15           HB3      LEU  15  -3.668   9.133  -2.501
   88    HG   LEU  15           HG       LEU  15  -2.147   6.807  -3.673
   89   HD11  LEU  15          HD11      LEU  15  -4.222   8.666  -4.847
   90   HD12  LEU  15          HD12      LEU  15  -3.375   7.384  -5.712
   91   HD13  LEU  15          HD13      LEU  15  -4.478   6.980  -4.398
   92   HD21  LEU  15          HD21      LEU  15  -1.990   9.746  -4.352
   93   HD22  LEU  15          HD22      LEU  15  -0.725   8.788  -3.583
   94   HD23  LEU  15          HD23      LEU  15  -1.211   8.438  -5.242
   95    H    HIS  16           HN       HIS  16  -3.345   6.730   0.125
   96    HA   HIS  16           HA       HIS  16  -4.156   8.925   1.935
   97    HB2  HIS  16           HB2      HIS  16  -5.833   6.811   0.658
   98    HB3  HIS  16           HB3      HIS  16  -6.301   7.451   2.229
   99    HD1  HIS  16           HD1      HIS  16  -6.650  10.127   2.312
  100    HD2  HIS  16           HD2      HIS  16  -6.571   8.377  -1.467
  101    HE1  HIS  16           HE1      HIS  16  -7.700  11.806   0.757
  102    HE2  HIS  16           HE2      HIS  16  -7.695  10.712  -1.514
  103    H    ASP  17           HN       ASP  17  -1.996   7.082   2.230
  104    HA   ASP  17           HA       ASP  17  -2.035   6.739   4.934
  105    HB2  ASP  17           HB2      ASP  17  -3.842   5.001   4.381
  106    HB3  ASP  17           HB3      ASP  17  -2.538   4.033   3.699
  107    H    GLY  18           HN       GLY  18  -1.117   4.814   2.096
  108    HA2  GLY  18           HA1      GLY  18   0.869   3.850   1.497
  109    HA3  GLY  18           HA2      GLY  18   1.622   5.252   2.229
  110    H    VAL  19           HN       VAL  19   2.001   2.178   2.061
  111    HA   VAL  19           HA       VAL  19   3.374   2.019   4.615
  112    HB   VAL  19           HB       VAL  19   1.253   0.005   3.821
  113   HG11  VAL  19          HG11      VAL  19   3.283  -1.277   4.255
  114   HG12  VAL  19          HG12      VAL  19   3.502  -0.432   5.788
  115   HG13  VAL  19          HG13      VAL  19   2.116  -1.499   5.561
  116   HG21  VAL  19          HG21      VAL  19   0.540   0.255   6.140
  117   HG22  VAL  19          HG22      VAL  19   1.866   1.379   6.435
  118   HG23  VAL  19          HG23      VAL  19   0.572   1.815   5.319
  119    H    CYS  20           HN       CYS  20   5.170   0.534   4.512
  120    HA   CYS  20           HA       CYS  20   5.972   0.135   1.718
  121    HB2  CYS  20           HB2      CYS  20   8.303   0.160   2.717
  122    HB3  CYS  20           HB3      CYS  20   7.404   1.672   2.789
  123    H    MET  21           HN       MET  21   5.759  -1.886   1.034
  124    HA   MET  21           HA       MET  21   7.292  -3.937   2.459
  125    HB2  MET  21           HB2      MET  21   4.608  -4.455   1.200
  126    HB3  MET  21           HB3      MET  21   5.629  -5.649   1.968
  127    HG2  MET  21           HG2      MET  21   4.424  -3.307   3.411
  128    HG3  MET  21           HG3      MET  21   3.673  -4.901   3.323
  129    HE1  MET  21           HE1      MET  21   6.419  -7.110   5.113
  130    HE2  MET  21           HE2      MET  21   4.872  -7.131   4.268
  131    HE3  MET  21           HE3      MET  21   6.346  -6.730   3.392
  132    H    TYR  22           HN       TYR  22   8.902  -4.165   0.951
  133    HA   TYR  22           HA       TYR  22   8.267  -5.057  -1.630
  134    HB2  TYR  22           HB2      TYR  22   9.512  -3.311  -2.761
  135    HB3  TYR  22           HB3      TYR  22   8.039  -2.731  -2.045
  136    HD1  TYR  22           HD1      TYR  22   8.445  -1.809   0.466
  137    HD2  TYR  22           HD2      TYR  22  11.367  -1.920  -2.621
  138    HE1  TYR  22           HE1      TYR  22   9.689  -0.008   1.582
  139    HE2  TYR  22           HE2      TYR  22  12.612  -0.119  -1.512
  140    HH   TYR  22           HH       TYR  22  11.976   1.815   0.100
  141    H    ILE  23           HN       ILE  23  11.134  -3.520  -0.349
  142    HA   ILE  23           HA       ILE  23  12.901  -5.435  -1.410
  143    HB   ILE  23           HB       ILE  23  14.562  -4.492   0.265
  144   HG12  ILE  23          HG12      ILE  23  12.568  -2.317   0.693
  145   HG13  ILE  23          HG13      ILE  23  12.472  -3.786   1.669
  146   HG21  ILE  23          HG21      ILE  23  13.156  -2.606  -1.614
  147   HG22  ILE  23          HG22      ILE  23  14.772  -2.372  -0.951
  148   HG23  ILE  23          HG23      ILE  23  14.451  -3.724  -2.036
  149   HD11  ILE  23          HD11      ILE  23  14.861  -1.957   1.438
  150   HD12  ILE  23          HD12      ILE  23  13.741  -2.031   2.798
  151   HD13  ILE  23          HD13      ILE  23  14.772  -3.415   2.426
  152    H    GLU  24           HN       GLU  24  12.293  -7.463  -0.850
  153    HA   GLU  24           HA       GLU  24  12.455  -8.194   2.003
  154    HB2  GLU  24           HB2      GLU  24  10.822  -9.338  -0.268
  155    HB3  GLU  24           HB3      GLU  24  10.959 -10.109   1.320
  156    HG2  GLU  24           HG2      GLU  24  10.108  -7.918   2.291
  157    HG3  GLU  24           HG3      GLU  24   9.680  -7.478   0.645
  158    H    ALA  25           HN       ALA  25  14.141  -8.254  -0.742
  159    HA   ALA  25           HA       ALA  25  15.604  -9.584  -1.845
  160    HB1  ALA  25           HB1      ALA  25  16.632 -11.511  -0.703
  161    HB2  ALA  25           HB2      ALA  25  16.655 -10.060   0.299
  162    HB3  ALA  25           HB3      ALA  25  15.478 -11.330   0.617
  163    H    LEU  26           HN       LEU  26  12.522 -10.168  -1.270
  164    HA   LEU  26           HA       LEU  26  12.385 -12.631  -2.835
  165    HB2  LEU  26           HB2      LEU  26  10.138 -11.135  -1.475
  166    HB3  LEU  26           HB3      LEU  26  10.040 -12.721  -2.213
  167    HG   LEU  26           HG       LEU  26  11.594 -12.031   0.283
  168   HD11  LEU  26          HD11      LEU  26   9.926 -13.439   1.406
  169   HD12  LEU  26          HD12      LEU  26   9.196 -12.021   0.655
  170   HD13  LEU  26          HD13      LEU  26   9.051 -13.602  -0.117
  171   HD21  LEU  26          HD21      LEU  26  11.998 -14.419   0.470
  172   HD22  LEU  26          HD22      LEU  26  11.153 -14.698  -1.054
  173   HD23  LEU  26          HD23      LEU  26  12.668 -13.795  -1.039
  174    H    ASP  27           HN       ASP  27  12.406  -9.360  -2.901
  175    HA   ASP  27           HA       ASP  27  12.563  -7.957  -4.687
  176    HB2  ASP  27           HB2      ASP  27  13.291 -10.007  -5.990
  177    HB3  ASP  27           HB3      ASP  27  11.610 -10.205  -6.475
  178    H    LYS  28           HN       LYS  28  10.689  -7.552  -3.125
  179    HA   LYS  28           HA       LYS  28   8.128  -7.807  -4.537
  180    HB2  LYS  28           HB2      LYS  28   8.689  -7.223  -1.629
  181    HB3  LYS  28           HB3      LYS  28   7.094  -7.427  -2.341
  182    HG2  LYS  28           HG2      LYS  28   9.116  -9.624  -2.588
  183    HG3  LYS  28           HG3      LYS  28   8.240  -9.392  -1.074
  184    HD2  LYS  28           HD2      LYS  28   7.041 -11.003  -2.379
  185    HD3  LYS  28           HD3      LYS  28   6.100  -9.516  -2.338
  186    HE2  LYS  28           HE2      LYS  28   5.978 -10.269  -4.559
  187    HE3  LYS  28           HE3      LYS  28   7.163  -8.963  -4.576
  188    HZ1  LYS  28           HZ1      LYS  28   7.934 -10.833  -5.868
  189    HZ2  LYS  28           HZ2      LYS  28   7.764 -11.875  -4.539
  190    HZ3  LYS  28           HZ3      LYS  28   8.924 -10.641  -4.507
  191    H    TYR  29           HN       TYR  29   6.595  -5.998  -3.886
  192    HA   TYR  29           HA       TYR  29   7.490  -3.350  -3.710
  193    HB2  TYR  29           HB2      TYR  29   6.667  -2.686  -6.060
  194    HB3  TYR  29           HB3      TYR  29   8.283  -3.401  -5.948
  195    HD1  TYR  29           HD2      TYR  29   8.525  -5.879  -6.532
  196    HD2  TYR  29           HD1      TYR  29   5.027  -3.639  -7.445
  197    HE1  TYR  29           HE2      TYR  29   7.887  -7.560  -8.205
  198    HE2  TYR  29           HE1      TYR  29   4.381  -5.319  -9.119
  199    HH   TYR  29           HH       TYR  29   5.658  -7.059 -10.564
  200    H    ALA  30           HN       ALA  30   5.863  -2.948  -2.362
  201    HA   ALA  30           HA       ALA  30   3.192  -2.873  -3.458
  202    HB1  ALA  30           HB1      ALA  30   3.309  -5.153  -2.591
  203    HB2  ALA  30           HB2      ALA  30   3.825  -4.539  -1.020
  204    HB3  ALA  30           HB3      ALA  30   2.207  -4.171  -1.622
  205    H    CYS  31           HN       CYS  31   1.775  -1.664  -2.188
  206    HA   CYS  31           HA       CYS  31   2.916  -0.251   0.084
  207    HB2  CYS  31           HB2      CYS  31   3.149   1.149  -2.024
  208    HB3  CYS  31           HB3      CYS  31   1.390   1.168  -2.111
  209    H    ASN  32           HN       ASN  32   1.435   0.027   1.677
  210    HA   ASN  32           HA       ASN  32  -1.197  -1.110   1.098
  211    HB2  ASN  32           HB2      ASN  32   0.225  -2.495   2.602
  212    HB3  ASN  32           HB3      ASN  32   0.305  -1.149   3.732
  213   HD21  ASN  32          HD21      ASN  32  -0.686  -2.266   5.377
  214   HD22  ASN  32          HD22      ASN  32  -2.367  -2.665   5.356
  215    H    CYS  33           HN       CYS  33  -2.319   0.638   0.721
  216    HA   CYS  33           HA       CYS  33  -1.991   3.028   2.216
  217    HB2  CYS  33           HB2      CYS  33  -2.413   2.711  -0.242
  218    HB3  CYS  33           HB3      CYS  33  -4.041   2.238   0.172
  219    H    VAL  34           HN       VAL  34  -5.209   2.987   1.659
  220    HA   VAL  34           HA       VAL  34  -5.716   2.051   4.406
  221    HB   VAL  34           HB       VAL  34  -5.858   4.529   4.157
  222   HG11  VAL  34          HG11      VAL  34  -8.133   3.905   2.291
  223   HG12  VAL  34          HG12      VAL  34  -7.736   5.503   2.922
  224   HG13  VAL  34          HG13      VAL  34  -6.599   4.665   1.868
  225   HG21  VAL  34          HG21      VAL  34  -7.145   3.425   5.894
  226   HG22  VAL  34          HG22      VAL  34  -8.042   4.798   5.244
  227   HG23  VAL  34          HG23      VAL  34  -8.473   3.156   4.767
  228    H    VAL  35           HN       VAL  35  -7.704   0.951   4.745
  229    HA   VAL  35           HA       VAL  35  -8.718  -0.523   2.584
  230    HB   VAL  35           HB       VAL  35  -9.078  -1.495   4.665
  231   HG11  VAL  35          HG11      VAL  35  -8.875   0.501   6.057
  232   HG12  VAL  35          HG12      VAL  35 -10.488   1.015   5.562
  233   HG13  VAL  35          HG13      VAL  35 -10.287  -0.449   6.522
  234   HG21  VAL  35          HG21      VAL  35 -10.960  -1.832   3.179
  235   HG22  VAL  35          HG22      VAL  35 -11.503  -1.772   4.855
  236   HG23  VAL  35          HG23      VAL  35 -11.735  -0.377   3.803
  237    H    GLY  36           HN       GLY  36  -9.186   0.747   0.932
  238    HA2  GLY  36           HA1      GLY  36 -11.622   1.571   0.279
  239    HA3  GLY  36           HA2      GLY  36 -11.081   2.935   1.257
  240    H    TYR  37           HN       TYR  37  -8.257   2.156   0.293
  241    HA   TYR  37           HA       TYR  37  -8.489   2.867  -2.533
  242    HB2  TYR  37           HB2      TYR  37  -6.692   4.371  -0.610
  243    HB3  TYR  37           HB3      TYR  37  -6.725   4.576  -2.352
  244    HD1  TYR  37           HD1      TYR  37  -8.520   5.801  -3.431
  245    HD2  TYR  37           HD2      TYR  37  -8.440   5.315   0.793
  246    HE1  TYR  37           HE1      TYR  37 -10.229   7.546  -3.206
  247    HE2  TYR  37           HE2      TYR  37 -10.155   7.062   1.032
  248    HH   TYR  37           HH       TYR  37 -11.105   8.900  -0.148
  249    H    ILE  38           HN       ILE  38  -7.649   0.827  -3.134
  250    HA   ILE  38           HA       ILE  38  -4.762   1.068  -3.084
  251    HB   ILE  38           HB       ILE  38  -5.684  -0.782  -1.422
  252   HG12  ILE  38          HG12      ILE  38  -3.276  -0.496  -3.126
  253   HG13  ILE  38          HG13      ILE  38  -3.463  -0.399  -1.377
  254   HG21  ILE  38          HG21      ILE  38  -5.427  -2.273  -4.029
  255   HG22  ILE  38          HG22      ILE  38  -5.561  -3.011  -2.432
  256   HG23  ILE  38          HG23      ILE  38  -6.903  -2.072  -3.085
  257   HD11  ILE  38          HD11      ILE  38  -3.402  -2.929  -3.010
  258   HD12  ILE  38          HD12      ILE  38  -2.078  -2.289  -2.038
  259   HD13  ILE  38          HD13      ILE  38  -3.564  -2.833  -1.257
  260    H    GLY  39           HN       GLY  39  -3.919   0.914  -4.997
  261    HA2  GLY  39           HA1      GLY  39  -4.995  -0.792  -7.048
  262    HA3  GLY  39           HA2      GLY  39  -5.241   0.930  -7.358
  263    H    GLU  40           HN       GLU  40  -3.121  -1.658  -7.513
  264    HA   GLU  40           HA       GLU  40  -0.976  -1.920  -8.170
  265    HB2  GLU  40           HB2      GLU  40  -1.342  -0.059  -9.776
  266    HB3  GLU  40           HB3      GLU  40  -0.909   1.082  -8.505
  267    HG2  GLU  40           HG2      GLU  40   0.985   0.781  -9.928
  268    HG3  GLU  40           HG3      GLU  40   1.325  -0.003  -8.380
  269    H    ARG  41           HN       ARG  41  -1.444   0.968  -6.285
  270    HA   ARG  41           HA       ARG  41   0.158  -0.148  -4.153
  271    HB2  ARG  41           HB2      ARG  41   1.341   2.135  -3.982
  272    HB3  ARG  41           HB3      ARG  41   1.841   1.018  -5.265
  273    HG2  ARG  41           HG2      ARG  41   1.715   3.099  -6.319
  274    HG3  ARG  41           HG3      ARG  41   0.211   2.299  -6.769
  275    HD2  ARG  41           HD2      ARG  41  -0.765   3.549  -4.708
  276    HD3  ARG  41           HD3      ARG  41   0.658   4.577  -4.873
  277    HE   ARG  41           HE       ARG  41  -1.438   4.235  -6.927
  278   HH11  ARG  41          HH12      ARG  41   1.182   6.112  -5.540
  279   HH12  ARG  41          HH11      ARG  41   0.833   7.523  -6.492
  280   HH21  ARG  41          HH22      ARG  41  -1.909   6.103  -8.149
  281   HH22  ARG  41          HH21      ARG  41  -0.929   7.532  -7.955
  282    H    CYS  42           HN       CYS  42  -2.335   2.050  -5.176
  283    HA   CYS  42           HA       CYS  42  -3.892   2.019  -2.943
  284    HB2  CYS  42           HB2      CYS  42  -2.275   3.004  -1.502
  285    HB3  CYS  42           HB3      CYS  42  -1.765   4.155  -2.731
  286    H    GLN  43           HN       GLN  43  -5.534   2.282  -4.613
  287    HA   GLN  43           HA       GLN  43  -6.584   4.842  -4.250
  288    HB2  GLN  43           HB2      GLN  43  -6.533   5.833  -6.473
  289    HB3  GLN  43           HB3      GLN  43  -4.916   5.623  -5.805
  290    HG2  GLN  43           HG2      GLN  43  -4.737   3.523  -7.168
  291    HG3  GLN  43           HG3      GLN  43  -6.254   3.976  -7.943
  292   HE21  GLN  43          HE21      GLN  43  -6.298   5.834  -9.269
  293   HE22  GLN  43          HE22      GLN  43  -4.846   6.500  -9.936
  294    H    TYR  44           HN       TYR  44  -7.201   1.830  -4.634
  295    HA   TYR  44           HA       TYR  44  -9.800   2.317  -5.859
  296    HB2  TYR  44           HB2      TYR  44  -7.832   0.253  -6.837
  297    HB3  TYR  44           HB3      TYR  44  -9.553   0.143  -7.162
  298    HD1  TYR  44           HD1      TYR  44 -10.615   2.228  -8.325
  299    HD2  TYR  44           HD2      TYR  44  -6.456   1.354  -8.337
  300    HE1  TYR  44           HE1      TYR  44 -10.329   3.654 -10.305
  301    HE2  TYR  44           HE2      TYR  44  -6.157   2.775 -10.322
  302    HH   TYR  44           HH       TYR  44  -7.370   3.720 -12.109
  303    H    ARG  45           HN       ARG  45 -11.145   1.788  -4.312
  304    HA   ARG  45           HA       ARG  45 -12.541   0.255  -3.368
  305    HB2  ARG  45           HB2      ARG  45 -10.488  -1.666  -4.438
  306    HB3  ARG  45           HB3      ARG  45 -11.943  -2.200  -3.585
  307    HG2  ARG  45           HG2      ARG  45 -12.752  -2.362  -5.685
  308    HG3  ARG  45           HG3      ARG  45 -13.066  -0.641  -5.466
  309    HD2  ARG  45           HD2      ARG  45 -11.989  -1.012  -7.599
  310    HD3  ARG  45           HD3      ARG  45 -10.892  -0.134  -6.521
  311    HE   ARG  45           HE       ARG  45  -9.924  -2.460  -6.087
  312   HH11  ARG  45          HH12      ARG  45 -11.341  -1.491  -9.138
  313   HH12  ARG  45          HH11      ARG  45 -10.318  -2.525 -10.091
  314   HH21  ARG  45          HH22      ARG  45  -8.560  -3.813  -7.336
  315   HH22  ARG  45          HH21      ARG  45  -8.718  -3.833  -9.066
  316    H    ASP  46           HN       ASP  46 -12.658  -1.391  -1.680
  317    HA   ASP  46           HA       ASP  46 -10.850  -0.683   0.510
  318    HB2  ASP  46           HB2      ASP  46 -13.450  -2.237   0.601
  319    HB3  ASP  46           HB3      ASP  46 -12.550  -1.629   1.982
  320    H    LEU  47           HN       LEU  47  -9.996  -2.408  -1.595
  321    HA   LEU  47           HA       LEU  47 -10.517  -5.081  -1.424
  322    HB2  LEU  47           HB2      LEU  47  -7.875  -3.820  -2.137
  323    HB3  LEU  47           HB3      LEU  47  -8.354  -5.463  -2.515
  324    HG   LEU  47           HG       LEU  47  -9.623  -2.947  -3.603
  325   HD11  LEU  47          HD11      LEU  47  -7.978  -5.084  -4.952
  326   HD12  LEU  47          HD12      LEU  47  -8.714  -3.687  -5.735
  327   HD13  LEU  47          HD13      LEU  47  -7.424  -3.458  -4.553
  328   HD21  LEU  47          HD21      LEU  47 -10.268  -5.843  -4.131
  329   HD22  LEU  47          HD22      LEU  47 -11.302  -4.670  -3.317
  330   HD23  LEU  47          HD23      LEU  47 -10.918  -4.472  -5.028
  331    H    LYS  48           HN       LYS  48  -8.052  -3.328   0.397
  332    HA   LYS  48           HA       LYS  48  -6.631  -5.593   1.228
  333    HB2  LYS  48           HB2      LYS  48  -5.855  -3.958   3.094
  334    HB3  LYS  48           HB3      LYS  48  -5.391  -3.698   1.420
  335    HG2  LYS  48           HG2      LYS  48  -7.251  -2.095   1.194
  336    HG3  LYS  48           HG3      LYS  48  -7.601  -2.300   2.911
  337    HD2  LYS  48           HD2      LYS  48  -6.253  -0.405   2.872
  338    HD3  LYS  48           HD3      LYS  48  -5.127  -1.711   3.253
  339    HE2  LYS  48           HE2      LYS  48  -5.566  -0.532   0.497
  340    HE3  LYS  48           HE3      LYS  48  -4.229  -0.143   1.581
  341    HZ1  LYS  48           HZ1      LYS  48  -3.563  -2.488   1.527
  342    HZ2  LYS  48           HZ2      LYS  48  -3.521  -1.779  -0.008
  343    HZ3  LYS  48           HZ3      LYS  48  -4.791  -2.818   0.401
  344    H    TRP  49           HN       TRP  49  -8.948  -3.663   3.131
  345    HA   TRP  49           HA       TRP  49  -8.897  -5.783   5.130
  346    HB2  TRP  49           HB2      TRP  49  -8.495  -3.460   5.866
  347    HB3  TRP  49           HB3      TRP  49 -10.101  -3.014   5.301
  348    HD1  TRP  49           HD1      TRP  49  -8.455  -5.325   7.939
  349    HE1  TRP  49           HE1      TRP  49 -10.064  -5.538   9.941
  350    HE3  TRP  49           HE3      TRP  49 -12.424  -2.687   6.070
  351    HZ2  TRP  49           HZ2      TRP  49 -12.666  -4.700  10.630
  352    HZ3  TRP  49           HZ3      TRP  49 -14.435  -2.443   7.469
  353    HH2  TRP  49           HH2      TRP  49 -14.550  -3.430   9.700
  354    H    TRP  50           HN       TRP  50 -11.232  -3.985   3.117
  355    HA   TRP  50           HA       TRP  50 -13.360  -5.511   4.429
  356    HB2  TRP  50           HB2      TRP  50 -13.360  -2.955   4.304
  357    HB3  TRP  50           HB3      TRP  50 -13.798  -3.161   2.610
  358    HD1  TRP  50           HD1      TRP  50 -15.111  -4.759   5.897
  359    HE1  TRP  50           HE1      TRP  50 -17.682  -4.656   5.863
  360    HE3  TRP  50           HE3      TRP  50 -15.748  -2.400   1.413
  361    HZ2  TRP  50           HZ2      TRP  50 -19.712  -3.690   4.147
  362    HZ3  TRP  50           HZ3      TRP  50 -18.035  -1.919   0.648
  363    HH2  TRP  50           HH2      TRP  50 -19.975  -2.552   1.988
  364    H    GLU  51           HN       GLU  51 -12.329  -4.592   1.136
  365    HA   GLU  51           HA       GLU  51 -14.539  -5.874  -0.103
  366    HB2  GLU  51           HB2      GLU  51 -11.936  -4.779  -1.142
  367    HB3  GLU  51           HB3      GLU  51 -13.045  -5.642  -2.199
  368    HG2  GLU  51           HG2      GLU  51 -13.627  -3.152  -0.632
  369    HG3  GLU  51           HG3      GLU  51 -13.300  -3.240  -2.362
  370    H    LEU  52           HN       LEU  52 -11.130  -6.770   0.240
  371    HA   LEU  52           HA       LEU  52 -11.835  -9.473  -0.695
  372    HB2  LEU  52           HB2      LEU  52  -9.120  -8.203  -0.605
  373    HB3  LEU  52           HB3      LEU  52  -9.551  -9.709  -1.401
  374    HG   LEU  52           HG       LEU  52 -10.411  -6.934  -2.192
  375   HD11  LEU  52          HD11      LEU  52  -8.082  -7.439  -2.728
  376   HD12  LEU  52          HD12      LEU  52  -8.576  -8.930  -3.532
  377   HD13  LEU  52          HD13      LEU  52  -9.057  -7.368  -4.197
  378   HD21  LEU  52          HD21      LEU  52 -12.191  -8.530  -2.641
  379   HD22  LEU  52          HD22      LEU  52 -11.432  -8.017  -4.150
  380   HD23  LEU  52          HD23      LEU  52 -11.053  -9.598  -3.466
  381    H    ARG  53           HN       ARG  53 -10.120  -7.622   1.701
  382    HA   ARG  53           HA       ARG  53  -9.236  -8.099   3.745
  383    HB2  ARG  53           HB2      ARG  53 -11.437  -9.163   4.208
  384    HB3  ARG  53           HB3      ARG  53 -10.809 -10.685   3.592
  385    HG2  ARG  53           HG2      ARG  53  -9.071 -10.615   5.373
  386    HG3  ARG  53           HG3      ARG  53  -9.868  -9.185   6.027
  387    HD2  ARG  53           HD2      ARG  53 -11.925 -10.488   6.333
  388    HD3  ARG  53           HD3      ARG  53 -11.110 -11.917   5.703
  389    HE   ARG  53           HE       ARG  53  -9.908 -10.619   8.018
  390   HH11  ARG  53          HH12      ARG  53 -11.917 -13.251   6.821
  391   HH12  ARG  53          HH11      ARG  53 -11.679 -14.225   8.246
  392   HH21  ARG  53          HH22      ARG  53  -9.600 -11.903   9.850
  393   HH22  ARG  53          HH21      ARG  53 -10.355 -13.468   9.956
  Start of MODEL    5
    1    H1   ASN   1           H1       ASN   1   9.025  -9.120   2.171
    2    H2   ASN   1           H2       ASN   1   8.642  -8.048   0.908
    3    H3   ASN   1           H3       ASN   1   7.640  -9.373   1.229
    4    HA   ASN   1           HA       ASN   1   6.706  -7.287   2.041
    5    HB2  ASN   1           HB2      ASN   1   7.470  -9.438   4.004
    6    HB3  ASN   1           HB3      ASN   1   6.438  -8.090   4.469
    7   HD21  ASN   1          HD21      ASN   1   4.356  -8.000   3.746
    8   HD22  ASN   1          HD22      ASN   1   3.583  -9.303   2.906
    9    H    SER   2           HN       SER   2   8.659  -5.851   1.571
   10    HA   SER   2           HA       SER   2   9.896  -4.077   2.251
   11    HB2  SER   2           HB2      SER   2   7.877  -3.629   3.657
   12    HB3  SER   2           HB3      SER   2   8.638  -4.517   4.974
   13    HG   SER   2           HG       SER   2   9.191  -1.986   3.963
   14    H    ASP   3           HN       ASP   3  11.698  -5.640   1.906
   15    HA   ASP   3           HA       ASP   3  13.036  -6.720   4.156
   16    HB2  ASP   3           HB2      ASP   3  13.541  -7.677   2.015
   17    HB3  ASP   3           HB3      ASP   3  14.030  -6.108   1.383
   18    H    SER   4           HN       SER   4  13.008  -3.759   2.603
   19    HA   SER   4           HA       SER   4  14.983  -2.667   4.486
   20    HB2  SER   4           HB2      SER   4  14.140  -1.499   1.819
   21    HB3  SER   4           HB3      SER   4  15.424  -0.900   2.872
   22    HG   SER   4           HG       SER   4  16.359  -3.102   2.566
   23    H    GLU   5           HN       GLU   5  13.927  -1.778   6.148
   24    HA   GLU   5           HA       GLU   5  11.270  -0.872   6.052
   25    HB2  GLU   5           HB2      GLU   5  11.716   0.170   8.234
   26    HB3  GLU   5           HB3      GLU   5  12.295  -1.486   8.160
   27    HG2  GLU   5           HG2      GLU   5  14.567  -0.725   7.899
   28    HG3  GLU   5           HG3      GLU   5  14.026   0.954   7.821
   29    H    CYS   6           HN       CYS   6  10.464   0.820   5.106
   30    HA   CYS   6           HA       CYS   6  12.184   2.750   3.878
   31    HB2  CYS   6           HB2      CYS   6   9.164   2.683   3.990
   32    HB3  CYS   6           HB3      CYS   6  10.159   3.579   2.846
   33    HA   PRO   7           HA       PRO   7  11.687   5.980   6.983
   34    HB2  PRO   7           HB2      PRO   7  12.515   7.769   4.804
   35    HB3  PRO   7           HB3      PRO   7  13.305   7.460   6.353
   36    HG2  PRO   7           HG2      PRO   7  14.342   6.599   4.026
   37    HG3  PRO   7           HG3      PRO   7  14.511   5.675   5.531
   38    HD2  PRO   7           HD2      PRO   7  12.617   5.246   3.247
   39    HD3  PRO   7           HD3      PRO   7  13.540   4.052   4.187
   40    H    LEU   8           HN       LEU   8  10.296   7.815   7.179
   41    HA   LEU   8           HA       LEU   8   7.739   7.240   6.405
   42    HB2  LEU   8           HB2      LEU   8   7.056   9.329   7.318
   43    HB3  LEU   8           HB3      LEU   8   8.357   8.683   8.295
   44    HG   LEU   8           HG       LEU   8   8.801  10.804   6.195
   45   HD11  LEU   8          HD11      LEU   8   8.236  11.142   9.136
   46   HD12  LEU   8          HD12      LEU   8   8.792  12.419   8.055
   47   HD13  LEU   8          HD13      LEU   8   7.213  11.674   7.802
   48   HD21  LEU   8          HD21      LEU   8  10.780   9.534   6.939
   49   HD22  LEU   8          HD22      LEU   8  10.852  11.230   7.420
   50   HD23  LEU   8          HD23      LEU   8  10.429   9.994   8.605
   51    H    SER   9           HN       SER   9   9.992   8.866   4.401
   52    HA   SER   9           HA       SER   9   8.112  10.491   3.001
   53    HB2  SER   9           HB2      SER   9  10.919   9.730   2.168
   54    HB3  SER   9           HB3      SER   9   9.980  11.118   1.616
   55    HG   SER   9           HG       SER   9  10.146  12.023   3.640
   56    H    HIS  10           HN       HIS  10   9.504   7.303   2.705
   57    HA   HIS  10           HA       HIS  10   8.632   7.002  -0.020
   58    HB2  HIS  10           HB2      HIS  10  10.124   5.294   1.911
   59    HB3  HIS  10           HB3      HIS  10   9.323   4.509   0.554
   60    HD1  HIS  10           HD1      HIS  10  12.000   7.095   1.273
   61    HD2  HIS  10           HD2      HIS  10  10.610   4.733  -1.858
   62    HE1  HIS  10           HE1      HIS  10  13.689   7.343  -0.570
   63    HE2  HIS  10           HE2      HIS  10  12.937   5.747  -2.362
   64    H    ASP  11           HN       ASP  11   7.263   6.652   3.026
   65    HA   ASP  11           HA       ASP  11   5.161   4.832   2.141
   66    HB2  ASP  11           HB2      ASP  11   5.517   6.211   4.818
   67    HB3  ASP  11           HB3      ASP  11   4.360   4.940   4.455
   68    H    GLY  12           HN       GLY  12   5.690   8.087   3.325
   69    HA2  GLY  12           HA1      GLY  12   2.988   8.948   3.095
   70    HA3  GLY  12           HA2      GLY  12   4.389   9.973   3.363
   71    H    TYR  13           HN       TYR  13   5.693   8.839   0.904
   72    HA   TYR  13           HA       TYR  13   4.748  10.718  -0.990
   73    HB2  TYR  13           HB2      TYR  13   7.036   9.735  -0.975
   74    HB3  TYR  13           HB3      TYR  13   6.355   8.218  -1.550
   75    HD1  TYR  13           HD1      TYR  13   6.216  11.838  -2.459
   76    HD2  TYR  13           HD2      TYR  13   6.548   7.819  -3.815
   77    HE1  TYR  13           HE1      TYR  13   6.417  12.643  -4.771
   78    HE2  TYR  13           HE2      TYR  13   6.746   8.614  -6.132
   79    HH   TYR  13           HH       TYR  13   7.220  11.949  -6.901
   80    H    CYS  14           HN       CYS  14   3.512   7.717  -0.078
   81    HA   CYS  14           HA       CYS  14   2.431   6.866  -2.563
   82    HB2  CYS  14           HB2      CYS  14   2.804   5.641  -0.212
   83    HB3  CYS  14           HB3      CYS  14   1.118   6.103  -0.015
   84    H    LEU  15           HN       LEU  15  -0.345   6.357  -1.706
   85    HA   LEU  15           HA       LEU  15  -1.174   8.919  -2.807
   86    HB2  LEU  15           HB2      LEU  15  -2.650   6.304  -2.807
   87    HB3  LEU  15           HB3      LEU  15  -3.152   7.769  -3.631
   88    HG   LEU  15           HG       LEU  15  -0.759   6.050  -4.251
   89   HD11  LEU  15          HD11      LEU  15  -1.856   5.864  -6.446
   90   HD12  LEU  15          HD12      LEU  15  -2.861   5.233  -5.140
   91   HD13  LEU  15          HD13      LEU  15  -3.208   6.817  -5.834
   92   HD21  LEU  15          HD21      LEU  15  -1.518   8.722  -5.438
   93   HD22  LEU  15          HD22      LEU  15  -0.094   8.384  -4.454
   94   HD23  LEU  15          HD23      LEU  15  -0.258   7.651  -6.050
   95    H    HIS  16           HN       HIS  16  -3.190   6.630  -0.895
   96    HA   HIS  16           HA       HIS  16  -4.357   9.113   0.197
   97    HB2  HIS  16           HB2      HIS  16  -5.573   6.419  -0.344
   98    HB3  HIS  16           HB3      HIS  16  -6.351   7.565   0.739
   99    HD1  HIS  16           HD1      HIS  16  -8.082   8.903  -0.372
  100    HD2  HIS  16           HD2      HIS  16  -5.052   7.802  -3.006
  101    HE1  HIS  16           HE1      HIS  16  -8.773   9.799  -2.618
  102    HE2  HIS  16           HE2      HIS  16  -6.844   9.281  -4.156
  103    H    ASP  17           HN       ASP  17  -2.072   7.630   1.203
  104    HA   ASP  17           HA       ASP  17  -2.199   7.913   3.895
  105    HB2  ASP  17           HB2      ASP  17  -4.071   6.122   3.665
  106    HB3  ASP  17           HB3      ASP  17  -2.754   4.993   3.370
  107    H    GLY  18           HN       GLY  18  -1.389   5.218   1.757
  108    HA2  GLY  18           HA1      GLY  18   0.582   4.320   1.104
  109    HA3  GLY  18           HA2      GLY  18   1.311   5.855   1.511
  110    H    VAL  19           HN       VAL  19   1.623   2.749   1.889
  111    HA   VAL  19           HA       VAL  19   3.480   3.134   4.105
  112    HB   VAL  19           HB       VAL  19   1.512   0.826   3.947
  113   HG11  VAL  19          HG11      VAL  19   3.785  -0.047   4.317
  114   HG12  VAL  19          HG12      VAL  19   3.956   1.023   5.711
  115   HG13  VAL  19          HG13      VAL  19   2.751  -0.265   5.729
  116   HG21  VAL  19          HG21      VAL  19   2.178   2.764   6.165
  117   HG22  VAL  19          HG22      VAL  19   0.710   2.761   5.184
  118   HG23  VAL  19          HG23      VAL  19   1.040   1.422   6.285
  119    H    CYS  20           HN       CYS  20   5.423   1.985   3.726
  120    HA   CYS  20           HA       CYS  20   5.612   1.405   0.857
  121    HB2  CYS  20           HB2      CYS  20   6.929   3.260   1.487
  122    HB3  CYS  20           HB3      CYS  20   7.575   2.428   2.895
  123    H    MET  21           HN       MET  21   5.930  -0.577   0.159
  124    HA   MET  21           HA       MET  21   8.089  -2.100   1.288
  125    HB2  MET  21           HB2      MET  21   6.750  -4.223   1.378
  126    HB3  MET  21           HB3      MET  21   6.415  -3.057   2.637
  127    HG2  MET  21           HG2      MET  21   4.390  -2.360   1.481
  128    HG3  MET  21           HG3      MET  21   4.738  -3.499   0.181
  129    HE1  MET  21           HE1      MET  21   1.942  -3.448   1.712
  130    HE2  MET  21           HE2      MET  21   2.341  -4.569   0.410
  131    HE3  MET  21           HE3      MET  21   1.673  -5.178   1.925
  132    H    TYR  22           HN       TYR  22   9.215  -2.180  -0.490
  133    HA   TYR  22           HA       TYR  22   8.376  -3.660  -2.691
  134    HB2  TYR  22           HB2      TYR  22   9.165  -1.694  -4.202
  135    HB3  TYR  22           HB3      TYR  22   7.491  -1.879  -3.759
  136    HD1  TYR  22           HD1      TYR  22  10.571   0.054  -3.216
  137    HD2  TYR  22           HD2      TYR  22   6.396  -0.188  -2.443
  138    HE1  TYR  22           HE1      TYR  22  10.617   2.331  -2.297
  139    HE2  TYR  22           HE2      TYR  22   6.427   2.095  -1.536
  140    HH   TYR  22           HH       TYR  22   9.057   4.201  -1.924
  141    H    ILE  23           HN       ILE  23  10.754  -1.280  -1.814
  142    HA   ILE  23           HA       ILE  23  12.989  -2.509  -2.944
  143    HB   ILE  23           HB       ILE  23  14.203  -1.321  -0.982
  144   HG12  ILE  23          HG12      ILE  23  11.563   0.105  -0.818
  145   HG13  ILE  23          HG13      ILE  23  11.951  -1.242   0.248
  146   HG21  ILE  23          HG21      ILE  23  13.986   0.833  -2.143
  147   HG22  ILE  23          HG22      ILE  23  14.171  -0.506  -3.274
  148   HG23  ILE  23          HG23      ILE  23  12.581   0.212  -3.011
  149   HD11  ILE  23          HD11      ILE  23  13.897   0.013   1.075
  150   HD12  ILE  23          HD12      ILE  23  13.470   1.354   0.011
  151   HD13  ILE  23          HD13      ILE  23  12.388   0.894   1.326
  152    H    GLU  24           HN       GLU  24  13.239  -4.630  -2.631
  153    HA   GLU  24           HA       GLU  24  13.544  -5.640   0.111
  154    HB2  GLU  24           HB2      GLU  24  11.936  -6.854  -2.138
  155    HB3  GLU  24           HB3      GLU  24  12.307  -7.682  -0.616
  156    HG2  GLU  24           HG2      GLU  24  11.155  -5.869   0.607
  157    HG3  GLU  24           HG3      GLU  24  10.700  -5.166  -0.940
  158    H    ALA  25           HN       ALA  25  15.237  -5.046  -2.433
  159    HA   ALA  25           HA       ALA  25  16.975  -5.920  -3.591
  160    HB1  ALA  25           HB1      ALA  25  17.792  -6.760  -1.441
  161    HB2  ALA  25           HB2      ALA  25  16.832  -8.224  -1.649
  162    HB3  ALA  25           HB3      ALA  25  18.162  -7.877  -2.755
  163    H    LEU  26           HN       LEU  26  14.027  -7.544  -3.231
  164    HA   LEU  26           HA       LEU  26  14.488  -9.387  -5.419
  165    HB2  LEU  26           HB2      LEU  26  11.942  -8.794  -3.907
  166    HB3  LEU  26           HB3      LEU  26  12.179 -10.104  -5.045
  167    HG   LEU  26           HG       LEU  26  13.575  -9.842  -2.380
  168   HD11  LEU  26          HD11      LEU  26  11.197 -10.290  -2.133
  169   HD12  LEU  26          HD12      LEU  26  11.321 -11.640  -3.263
  170   HD13  LEU  26          HD13      LEU  26  12.151 -11.712  -1.708
  171   HD21  LEU  26          HD21      LEU  26  13.562 -12.087  -4.394
  172   HD22  LEU  26          HD22      LEU  26  14.920 -11.019  -4.044
  173   HD23  LEU  26          HD23      LEU  26  14.328 -12.126  -2.806
  174    H    ASP  27           HN       ASP  27  13.505  -6.321  -4.681
  175    HA   ASP  27           HA       ASP  27  13.108  -4.508  -5.976
  176    HB2  ASP  27           HB2      ASP  27  14.610  -5.701  -7.655
  177    HB3  ASP  27           HB3      ASP  27  13.130  -6.263  -8.431
  178    H    LYS  28           HN       LYS  28  11.276  -5.057  -4.687
  179    HA   LYS  28           HA       LYS  28   8.940  -6.047  -6.143
  180    HB2  LYS  28           HB2      LYS  28   9.315  -5.447  -3.198
  181    HB3  LYS  28           HB3      LYS  28   7.902  -6.207  -3.925
  182    HG2  LYS  28           HG2      LYS  28  10.589  -7.432  -4.322
  183    HG3  LYS  28           HG3      LYS  28   9.736  -7.665  -2.795
  184    HD2  LYS  28           HD2      LYS  28   8.456  -8.213  -5.458
  185    HD3  LYS  28           HD3      LYS  28   9.390  -9.435  -4.591
  186    HE2  LYS  28           HE2      LYS  28   7.022  -7.960  -3.443
  187    HE3  LYS  28           HE3      LYS  28   6.940  -9.562  -4.175
  188    HZ1  LYS  28           HZ1      LYS  28   7.132  -9.550  -1.703
  189    HZ2  LYS  28           HZ2      LYS  28   8.699  -8.912  -1.869
  190    HZ3  LYS  28           HZ3      LYS  28   8.331 -10.447  -2.497
  191    H    TYR  29           HN       TYR  29   6.863  -4.858  -5.108
  192    HA   TYR  29           HA       TYR  29   7.042  -2.050  -4.958
  193    HB2  TYR  29           HB2      TYR  29   5.819  -1.455  -7.011
  194    HB3  TYR  29           HB3      TYR  29   7.388  -2.171  -7.376
  195    HD1  TYR  29           HD2      TYR  29   7.429  -4.633  -8.068
  196    HD2  TYR  29           HD1      TYR  29   3.858  -2.322  -7.982
  197    HE1  TYR  29           HE2      TYR  29   6.354  -6.255  -9.563
  198    HE2  TYR  29           HE1      TYR  29   2.768  -3.942  -9.480
  199    HH   TYR  29           HH       TYR  29   3.296  -5.642 -11.058
  200    H    ALA  30           HN       ALA  30   5.729  -2.004  -3.254
  201    HA   ALA  30           HA       ALA  30   2.925  -2.375  -3.769
  202    HB1  ALA  30           HB1      ALA  30   2.504  -3.870  -1.896
  203    HB2  ALA  30           HB2      ALA  30   3.593  -4.631  -3.058
  204    HB3  ALA  30           HB3      ALA  30   4.235  -3.960  -1.558
  205    H    CYS  31           HN       CYS  31   1.627  -1.380  -2.183
  206    HA   CYS  31           HA       CYS  31   2.947   0.129  -0.096
  207    HB2  CYS  31           HB2      CYS  31   3.073   1.671  -1.993
  208    HB3  CYS  31           HB3      CYS  31   1.357   1.453  -2.315
  209    H    ASN  32           HN       ASN  32   1.665   0.181   1.658
  210    HA   ASN  32           HA       ASN  32  -1.067  -0.815   1.271
  211    HB2  ASN  32           HB2      ASN  32   0.566  -2.072   2.760
  212    HB3  ASN  32           HB3      ASN  32   0.460  -0.708   3.871
  213   HD21  ASN  32          HD21      ASN  32  -1.217  -3.411   2.487
  214   HD22  ASN  32          HD22      ASN  32  -2.547  -3.424   3.595
  215    H    CYS  33           HN       CYS  33  -2.321   0.814   0.978
  216    HA   CYS  33           HA       CYS  33  -1.731   3.352   2.146
  217    HB2  CYS  33           HB2      CYS  33  -2.128   3.098  -0.221
  218    HB3  CYS  33           HB3      CYS  33  -3.699   2.386   0.093
  219    H    VAL  34           HN       VAL  34  -5.046   2.692   1.418
  220    HA   VAL  34           HA       VAL  34  -5.678   2.690   4.289
  221    HB   VAL  34           HB       VAL  34  -5.911   4.995   3.381
  222   HG11  VAL  34          HG11      VAL  34  -6.440   4.464   1.073
  223   HG12  VAL  34          HG12      VAL  34  -7.995   3.795   1.572
  224   HG13  VAL  34          HG13      VAL  34  -7.671   5.517   1.774
  225   HG21  VAL  34          HG21      VAL  34  -8.519   3.669   4.101
  226   HG22  VAL  34          HG22      VAL  34  -7.326   4.315   5.227
  227   HG23  VAL  34          HG23      VAL  34  -8.207   5.404   4.154
  228    H    VAL  35           HN       VAL  35  -7.620   1.541   4.765
  229    HA   VAL  35           HA       VAL  35  -7.968  -0.676   3.043
  230    HB   VAL  35           HB       VAL  35  -9.651  -1.457   4.615
  231   HG11  VAL  35          HG11      VAL  35  -8.169  -1.652   6.560
  232   HG12  VAL  35          HG12      VAL  35  -7.282  -1.857   5.050
  233   HG13  VAL  35          HG13      VAL  35  -7.177  -0.335   5.933
  234   HG21  VAL  35          HG21      VAL  35 -10.715   0.654   5.199
  235   HG22  VAL  35          HG22      VAL  35 -10.134  -0.152   6.656
  236   HG23  VAL  35          HG23      VAL  35  -9.235   1.207   5.983
  237    H    GLY  36           HN       GLY  36  -8.674   1.663   1.692
  238    HA2  GLY  36           HA1      GLY  36 -11.362   0.899   0.813
  239    HA3  GLY  36           HA2      GLY  36 -11.061   2.593   1.198
  240    H    TYR  37           HN       TYR  37  -8.193   2.010   0.277
  241    HA   TYR  37           HA       TYR  37  -8.602   1.759  -2.608
  242    HB2  TYR  37           HB2      TYR  37  -7.249   4.114  -1.275
  243    HB3  TYR  37           HB3      TYR  37  -7.053   3.721  -2.977
  244    HD1  TYR  37           HD1      TYR  37  -9.200   3.632  -4.398
  245    HD2  TYR  37           HD2      TYR  37  -8.988   5.487  -0.575
  246    HE1  TYR  37           HE1      TYR  37 -11.213   4.941  -4.928
  247    HE2  TYR  37           HE2      TYR  37 -11.005   6.798  -1.093
  248    HH   TYR  37           HH       TYR  37 -12.191   7.620  -3.161
  249    H    ILE  38           HN       ILE  38  -7.328   0.005  -3.023
  250    HA   ILE  38           HA       ILE  38  -4.504   0.477  -2.600
  251    HB   ILE  38           HB       ILE  38  -5.633  -1.009  -0.684
  252   HG12  ILE  38          HG12      ILE  38  -3.335  -0.162  -0.814
  253   HG13  ILE  38          HG13      ILE  38  -3.413  -1.797  -0.160
  254   HG21  ILE  38          HG21      ILE  38  -5.149  -3.380  -1.020
  255   HG22  ILE  38          HG22      ILE  38  -6.390  -2.803  -2.132
  256   HG23  ILE  38          HG23      ILE  38  -4.741  -3.057  -2.705
  257   HD11  ILE  38          HD11      ILE  38  -2.612  -1.030  -2.959
  258   HD12  ILE  38          HD12      ILE  38  -1.544  -1.585  -1.670
  259   HD13  ILE  38          HD13      ILE  38  -2.744  -2.682  -2.354
  260    H    GLY  39           HN       GLY  39  -3.535   0.141  -4.434
  261    HA2  GLY  39           HA1      GLY  39  -3.929  -2.233  -5.973
  262    HA3  GLY  39           HA2      GLY  39  -4.613  -0.816  -6.768
  263    H    GLU  40           HN       GLU  40  -1.843  -2.584  -6.109
  264    HA   GLU  40           HA       GLU  40   0.346  -2.404  -6.578
  265    HB2  GLU  40           HB2      GLU  40  -0.394  -1.515  -8.778
  266    HB3  GLU  40           HB3      GLU  40  -0.372   0.105  -8.096
  267    HG2  GLU  40           HG2      GLU  40   2.041  -0.147  -7.662
  268    HG3  GLU  40           HG3      GLU  40   1.987  -1.725  -8.449
  269    H    ARG  41           HN       ARG  41  -1.164   0.625  -5.846
  270    HA   ARG  41           HA       ARG  41   0.869   1.173  -3.814
  271    HB2  ARG  41           HB2      ARG  41   0.760   3.555  -4.509
  272    HB3  ARG  41           HB3      ARG  41   1.370   2.494  -5.788
  273    HG2  ARG  41           HG2      ARG  41  -1.523   2.798  -5.841
  274    HG3  ARG  41           HG3      ARG  41  -0.668   4.334  -6.040
  275    HD2  ARG  41           HD2      ARG  41   0.094   1.915  -7.631
  276    HD3  ARG  41           HD3      ARG  41  -1.281   2.917  -8.109
  277    HE   ARG  41           HE       ARG  41   1.134   4.421  -7.625
  278   HH11  ARG  41          HH12      ARG  41  -0.673   2.588 -10.026
  279   HH12  ARG  41          HH11      ARG  41   0.122   3.347 -11.368
  280   HH21  ARG  41          HH22      ARG  41   2.162   5.413  -9.399
  281   HH22  ARG  41          HH21      ARG  41   1.740   4.946 -11.016
  282    H    CYS  42           HN       CYS  42  -2.439   1.733  -5.002
  283    HA   CYS  42           HA       CYS  42  -3.931   1.858  -2.764
  284    HB2  CYS  42           HB2      CYS  42  -2.371   3.400  -1.710
  285    HB3  CYS  42           HB3      CYS  42  -2.484   4.502  -3.072
  286    H    GLN  43           HN       GLN  43  -5.073   1.375  -5.080
  287    HA   GLN  43           HA       GLN  43  -7.030   3.402  -5.200
  288    HB2  GLN  43           HB2      GLN  43  -6.691   4.303  -7.421
  289    HB3  GLN  43           HB3      GLN  43  -5.278   4.607  -6.406
  290    HG2  GLN  43           HG2      GLN  43  -4.098   2.767  -7.494
  291    HG3  GLN  43           HG3      GLN  43  -5.515   2.440  -8.493
  292   HE21  GLN  43          HE21      GLN  43  -2.833   4.561  -7.934
  293   HE22  GLN  43          HE22      GLN  43  -2.968   5.456  -9.405
  294    H    TYR  44           HN       TYR  44  -6.605   0.431  -5.128
  295    HA   TYR  44           HA       TYR  44  -8.629  -0.150  -7.165
  296    HB2  TYR  44           HB2      TYR  44  -6.349  -1.062  -7.782
  297    HB3  TYR  44           HB3      TYR  44  -6.447  -2.084  -6.356
  298    HD1  TYR  44           HD1      TYR  44  -7.876  -1.445  -9.695
  299    HD2  TYR  44           HD2      TYR  44  -7.779  -4.068  -6.346
  300    HE1  TYR  44           HE1      TYR  44  -9.065  -3.152 -11.004
  301    HE2  TYR  44           HE2      TYR  44  -8.966  -5.781  -7.648
  302    HH   TYR  44           HH       TYR  44  -9.285  -5.662 -10.978
  303    H    ARG  45           HN       ARG  45  -9.984   0.410  -5.464
  304    HA   ARG  45           HA       ARG  45 -11.660  -0.232  -4.092
  305    HB2  ARG  45           HB2      ARG  45 -10.630  -2.971  -4.814
  306    HB3  ARG  45           HB3      ARG  45 -12.130  -2.686  -3.935
  307    HG2  ARG  45           HG2      ARG  45 -12.826  -2.979  -6.135
  308    HG3  ARG  45           HG3      ARG  45 -12.804  -1.228  -5.936
  309    HD2  ARG  45           HD2      ARG  45 -10.362  -1.434  -6.855
  310    HD3  ARG  45           HD3      ARG  45 -10.938  -2.991  -7.470
  311    HE   ARG  45           HE       ARG  45 -11.989  -0.346  -8.237
  312   HH11  ARG  45          HH12      ARG  45 -11.782  -3.804  -8.811
  313   HH12  ARG  45          HH11      ARG  45 -12.356  -3.684 -10.452
  314   HH21  ARG  45          HH22      ARG  45 -12.746  -0.193 -10.358
  315   HH22  ARG  45          HH21      ARG  45 -12.921  -1.628 -11.328
  316    H    ASP  46           HN       ASP  46 -11.824  -2.438  -2.344
  317    HA   ASP  46           HA       ASP  46 -10.039  -1.414  -0.250
  318    HB2  ASP  46           HB2      ASP  46 -12.225  -1.841   1.204
  319    HB3  ASP  46           HB3      ASP  46 -11.943  -0.308   0.388
  320    H    LEU  47           HN       LEU  47  -9.586  -3.646  -1.723
  321    HA   LEU  47           HA       LEU  47 -10.444  -6.099  -1.091
  322    HB2  LEU  47           HB2      LEU  47  -7.536  -5.331  -1.261
  323    HB3  LEU  47           HB3      LEU  47  -8.199  -6.931  -1.533
  324    HG   LEU  47           HG       LEU  47  -8.755  -4.499  -3.233
  325   HD11  LEU  47          HD11      LEU  47  -6.463  -5.306  -3.465
  326   HD12  LEU  47          HD12      LEU  47  -7.065  -6.933  -3.784
  327   HD13  LEU  47          HD13      LEU  47  -7.408  -5.627  -4.919
  328   HD21  LEU  47          HD21      LEU  47 -10.642  -6.047  -3.188
  329   HD22  LEU  47          HD22      LEU  47  -9.834  -6.078  -4.757
  330   HD23  LEU  47          HD23      LEU  47  -9.566  -7.382  -3.601
  331    H    LYS  48           HN       LYS  48  -8.228  -4.245   0.972
  332    HA   LYS  48           HA       LYS  48  -7.437  -6.429   2.547
  333    HB2  LYS  48           HB2      LYS  48  -6.911  -4.462   4.245
  334    HB3  LYS  48           HB3      LYS  48  -5.937  -4.735   2.806
  335    HG2  LYS  48           HG2      LYS  48  -8.222  -2.963   2.385
  336    HG3  LYS  48           HG3      LYS  48  -7.038  -2.362   3.548
  337    HD2  LYS  48           HD2      LYS  48  -5.256  -2.696   1.900
  338    HD3  LYS  48           HD3      LYS  48  -6.446  -3.285   0.736
  339    HE2  LYS  48           HE2      LYS  48  -6.594  -0.568   2.011
  340    HE3  LYS  48           HE3      LYS  48  -5.749  -0.858   0.491
  341    HZ1  LYS  48           HZ1      LYS  48  -8.011  -0.068   0.149
  342    HZ2  LYS  48           HZ2      LYS  48  -8.631  -1.399   0.983
  343    HZ3  LYS  48           HZ3      LYS  48  -7.814  -1.623  -0.480
  344    H    TRP  49           HN       TRP  49  -9.633  -3.774   3.498
  345    HA   TRP  49           HA       TRP  49 -10.436  -5.419   5.762
  346    HB2  TRP  49           HB2      TRP  49  -9.671  -3.174   6.272
  347    HB3  TRP  49           HB3      TRP  49 -10.876  -2.486   5.189
  348    HD1  TRP  49           HD1      TRP  49 -11.023  -4.869   8.267
  349    HE1  TRP  49           HE1      TRP  49 -12.948  -4.081   9.783
  350    HE3  TRP  49           HE3      TRP  49 -12.659  -0.901   5.484
  351    HZ2  TRP  49           HZ2      TRP  49 -14.903  -2.037   9.791
  352    HZ3  TRP  49           HZ3      TRP  49 -14.561   0.420   6.317
  353    HH2  TRP  49           HH2      TRP  49 -15.660  -0.137   8.425
  354    H    TRP  50           HN       TRP  50 -11.880  -3.777   2.963
  355    HA   TRP  50           HA       TRP  50 -14.508  -4.475   4.035
  356    HB2  TRP  50           HB2      TRP  50 -13.863  -2.092   3.374
  357    HB3  TRP  50           HB3      TRP  50 -14.019  -2.639   1.708
  358    HD1  TRP  50           HD1      TRP  50 -16.303  -2.143   0.722
  359    HE1  TRP  50           HE1      TRP  50 -18.693  -1.873   1.617
  360    HE3  TRP  50           HE3      TRP  50 -15.425  -3.107   5.659
  361    HZ2  TRP  50           HZ2      TRP  50 -20.036  -2.048   4.097
  362    HZ3  TRP  50           HZ3      TRP  50 -17.314  -3.039   7.228
  363    HH2  TRP  50           HH2      TRP  50 -19.574  -2.518   6.462
  364    H    GLU  51           HN       GLU  51 -12.662  -4.735   0.989
  365    HA   GLU  51           HA       GLU  51 -14.756  -6.035  -0.428
  366    HB2  GLU  51           HB2      GLU  51 -11.828  -5.625  -0.924
  367    HB3  GLU  51           HB3      GLU  51 -12.744  -6.722  -1.950
  368    HG2  GLU  51           HG2      GLU  51 -13.365  -3.829  -1.471
  369    HG3  GLU  51           HG3      GLU  51 -12.501  -4.466  -2.868
  370    H    LEU  52           HN       LEU  52 -11.618  -7.295   0.602
  371    HA   LEU  52           HA       LEU  52 -12.622 -10.007   0.331
  372    HB2  LEU  52           HB2      LEU  52  -9.911  -9.083   1.250
  373    HB3  LEU  52           HB3      LEU  52 -10.336 -10.684   0.668
  374    HG   LEU  52           HG       LEU  52 -10.277  -8.148  -0.978
  375   HD11  LEU  52          HD11      LEU  52  -8.458 -10.562  -0.969
  376   HD12  LEU  52          HD12      LEU  52  -8.370  -9.209  -2.096
  377   HD13  LEU  52          HD13      LEU  52  -8.051  -8.949  -0.380
  378   HD21  LEU  52          HD21      LEU  52 -10.844 -11.003  -1.795
  379   HD22  LEU  52          HD22      LEU  52 -12.004  -9.675  -1.770
  380   HD23  LEU  52          HD23      LEU  52 -10.647  -9.639  -2.895
  381    H    ARG  53           HN       ARG  53 -11.423  -7.826   2.761
  382    HA   ARG  53           HA       ARG  53 -11.434  -7.795   5.023
  383    HB2  ARG  53           HB2      ARG  53 -13.871  -7.854   4.656
  384    HB3  ARG  53           HB3      ARG  53 -13.830  -9.610   4.717
  385    HG2  ARG  53           HG2      ARG  53 -13.197  -9.588   7.015
  386    HG3  ARG  53           HG3      ARG  53 -12.956  -7.840   6.984
  387    HD2  ARG  53           HD2      ARG  53 -15.302  -7.460   6.665
  388    HD3  ARG  53           HD3      ARG  53 -15.602  -9.186   6.460
  389    HE   ARG  53           HE       ARG  53 -14.696  -9.292   8.877
  390   HH11  ARG  53          HH12      ARG  53 -16.552  -6.615   7.583
  391   HH12  ARG  53          HH11      ARG  53 -17.362  -6.276   9.085
  392   HH21  ARG  53          HH22      ARG  53 -15.741  -8.839  10.856
  393   HH22  ARG  53          HH21      ARG  53 -16.897  -7.544  10.953
  Start of MODEL    6
    1    H1   ASN   1           H1       ASN   1  17.495  -3.627   3.609
    2    H2   ASN   1           H2       ASN   1  18.737  -3.319   2.502
    3    H3   ASN   1           H3       ASN   1  18.780  -4.717   3.456
    4    HA   ASN   1           HA       ASN   1  16.787  -4.096   1.359
    5    HB2  ASN   1           HB2      ASN   1  17.814  -5.901   0.088
    6    HB3  ASN   1           HB3      ASN   1  19.048  -4.716   0.498
    7   HD21  ASN   1          HD21      ASN   1  19.416  -7.479  -0.224
    8   HD22  ASN   1          HD22      ASN   1  20.183  -8.251   1.120
    9    H    SER   2           HN       SER   2  15.379  -5.919   0.889
   10    HA   SER   2           HA       SER   2  13.985  -7.635   1.381
   11    HB2  SER   2           HB2      SER   2  16.085  -8.861   2.028
   12    HB3  SER   2           HB3      SER   2  15.827  -8.316   3.684
   13    HG   SER   2           HG       SER   2  13.722  -9.609   2.350
   14    H    ASP   3           HN       ASP   3  12.270  -6.409   1.899
   15    HA   ASP   3           HA       ASP   3  10.722  -5.259   3.103
   16    HB2  ASP   3           HB2      ASP   3  10.466  -7.572   3.982
   17    HB3  ASP   3           HB3      ASP   3  11.540  -7.159   5.309
   18    H    SER   4           HN       SER   4  12.665  -3.684   2.923
   19    HA   SER   4           HA       SER   4  13.857  -2.904   5.427
   20    HB2  SER   4           HB2      SER   4  13.938  -1.597   2.697
   21    HB3  SER   4           HB3      SER   4  14.945  -1.155   4.076
   22    HG   SER   4           HG       SER   4  15.614  -3.447   4.034
   23    H    GLU   5           HN       GLU   5  13.671  -0.781   6.316
   24    HA   GLU   5           HA       GLU   5  10.988   0.047   6.686
   25    HB2  GLU   5           HB2      GLU   5  13.575   1.431   7.400
   26    HB3  GLU   5           HB3      GLU   5  11.988   1.899   7.987
   27    HG2  GLU   5           HG2      GLU   5  11.759  -0.177   9.172
   28    HG3  GLU   5           HG3      GLU   5  13.275  -0.771   8.490
   29    H    CYS   6           HN       CYS   6   9.874   1.767   5.913
   30    HA   CYS   6           HA       CYS   6  11.164   3.358   3.797
   31    HB2  CYS   6           HB2      CYS   6   9.316   1.579   3.200
   32    HB3  CYS   6           HB3      CYS   6   8.216   2.803   3.818
   33    HA   PRO   7           HA       PRO   7  10.204   6.368   6.951
   34    HB2  PRO   7           HB2      PRO   7  11.437   8.479   5.786
   35    HB3  PRO   7           HB3      PRO   7  12.319   7.176   6.589
   36    HG2  PRO   7           HG2      PRO   7  11.805   7.598   3.672
   37    HG3  PRO   7           HG3      PRO   7  13.299   7.091   4.483
   38    HD2  PRO   7           HD2      PRO   7  11.626   5.347   3.250
   39    HD3  PRO   7           HD3      PRO   7  12.605   4.905   4.662
   40    H    LEU   8           HN       LEU   8   9.875   9.108   6.288
   41    HA   LEU   8           HA       LEU   8   7.135   9.294   6.167
   42    HB2  LEU   8           HB2      LEU   8   8.696  11.053   6.924
   43    HB3  LEU   8           HB3      LEU   8   9.109  11.382   5.254
   44    HG   LEU   8           HG       LEU   8   6.757  12.050   4.834
   45   HD11  LEU   8          HD11      LEU   8   5.286  12.456   6.752
   46   HD12  LEU   8          HD12      LEU   8   5.671  10.744   6.565
   47   HD13  LEU   8          HD13      LEU   8   6.472  11.697   7.814
   48   HD21  LEU   8          HD21      LEU   8   8.416  13.737   5.327
   49   HD22  LEU   8          HD22      LEU   8   6.879  14.176   6.070
   50   HD23  LEU   8          HD23      LEU   8   8.178  13.507   7.058
   51    H    SER   9           HN       SER   9   9.185   8.745   3.543
   52    HA   SER   9           HA       SER   9   7.776  10.030   1.467
   53    HB2  SER   9           HB2      SER   9   9.698   7.697   1.270
   54    HB3  SER   9           HB3      SER   9   9.287   8.845  -0.005
   55    HG   SER   9           HG       SER   9  10.728  10.169   0.760
   56    H    HIS  10           HN       HIS  10   7.358   7.146   3.277
   57    HA   HIS  10           HA       HIS  10   5.991   5.586   1.403
   58    HB2  HIS  10           HB2      HIS  10   4.982   4.392   3.285
   59    HB3  HIS  10           HB3      HIS  10   6.676   4.699   3.619
   60    HD1  HIS  10           HD1      HIS  10   3.246   6.067   4.600
   61    HD2  HIS  10           HD2      HIS  10   7.124   5.801   6.071
   62    HE1  HIS  10           HE1      HIS  10   3.146   6.950   6.947
   63    HE2  HIS  10           HE2      HIS  10   5.449   6.573   7.880
   64    H    ASP  11           HN       ASP  11   5.143   8.369   3.139
   65    HA   ASP  11           HA       ASP  11   2.278   8.097   2.683
   66    HB2  ASP  11           HB2      ASP  11   3.173   8.644   4.866
   67    HB3  ASP  11           HB3      ASP  11   3.978  10.067   4.214
   68    H    GLY  12           HN       GLY  12   5.042   9.498   1.370
   69    HA2  GLY  12           HA1      GLY  12   3.612  11.673   0.017
   70    HA3  GLY  12           HA2      GLY  12   5.360  11.453   0.074
   71    H    TYR  13           HN       TYR  13   5.339   8.683  -0.566
   72    HA   TYR  13           HA       TYR  13   5.360   8.782  -3.396
   73    HB2  TYR  13           HB2      TYR  13   6.529   7.154  -1.624
   74    HB3  TYR  13           HB3      TYR  13   5.103   6.179  -1.951
   75    HD1  TYR  13           HD2      TYR  13   4.582   5.662  -4.440
   76    HD2  TYR  13           HD1      TYR  13   8.375   6.995  -3.045
   77    HE1  TYR  13           HE2      TYR  13   5.639   4.757  -6.467
   78    HE2  TYR  13           HE1      TYR  13   9.441   6.089  -5.065
   79    HH   TYR  13           HH       TYR  13   7.723   5.201  -7.801
   80    H    CYS  14           HN       CYS  14   2.976   7.847  -1.047
   81    HA   CYS  14           HA       CYS  14   1.310   6.674  -3.152
   82    HB2  CYS  14           HB2      CYS  14   1.535   6.083  -0.215
   83    HB3  CYS  14           HB3      CYS  14   0.242   5.430  -1.231
   84    H    LEU  15           HN       LEU  15  -1.048   6.623  -1.265
   85    HA   LEU  15           HA       LEU  15  -1.816   9.323  -2.117
   86    HB2  LEU  15           HB2      LEU  15  -3.529   6.857  -1.954
   87    HB3  LEU  15           HB3      LEU  15  -4.061   8.439  -2.493
   88    HG   LEU  15           HG       LEU  15  -2.062   6.642  -3.857
   89   HD11  LEU  15          HD11      LEU  15  -3.716   6.619  -5.650
   90   HD12  LEU  15          HD12      LEU  15  -4.398   5.998  -4.147
   91   HD13  LEU  15          HD13      LEU  15  -4.788   7.632  -4.683
   92   HD21  LEU  15          HD21      LEU  15  -2.998   9.396  -4.666
   93   HD22  LEU  15          HD22      LEU  15  -1.399   9.003  -4.033
   94   HD23  LEU  15          HD23      LEU  15  -1.919   8.346  -5.583
   95    H    HIS  16           HN       HIS  16  -3.706   7.111  -0.061
   96    HA   HIS  16           HA       HIS  16  -4.352   9.581   1.387
   97    HB2  HIS  16           HB2      HIS  16  -6.093   8.112   0.021
   98    HB3  HIS  16           HB3      HIS  16  -6.159   7.219   1.539
   99    HD1  HIS  16           HD1      HIS  16  -8.519   7.979   2.219
  100    HD2  HIS  16           HD2      HIS  16  -5.906  11.136   1.463
  101    HE1  HIS  16           HE1      HIS  16  -9.702  10.056   3.006
  102    HE2  HIS  16           HE2      HIS  16  -8.067  11.938   2.624
  103    H    ASP  17           HN       ASP  17  -2.249   7.663   1.868
  104    HA   ASP  17           HA       ASP  17  -2.007   8.008   4.579
  105    HB2  ASP  17           HB2      ASP  17  -3.804   6.233   4.697
  106    HB3  ASP  17           HB3      ASP  17  -2.659   5.112   3.962
  107    H    GLY  18           HN       GLY  18  -1.357   5.591   2.082
  108    HA2  GLY  18           HA1      GLY  18   0.584   4.743   1.238
  109    HA3  GLY  18           HA2      GLY  18   1.288   6.299   1.630
  110    H    VAL  19           HN       VAL  19   2.043   3.363   1.774
  111    HA   VAL  19           HA       VAL  19   3.878   3.482   3.934
  112    HB   VAL  19           HB       VAL  19   1.557   1.540   4.170
  113   HG11  VAL  19          HG11      VAL  19   3.629   0.266   4.358
  114   HG12  VAL  19          HG12      VAL  19   4.215   1.385   5.587
  115   HG13  VAL  19          HG13      VAL  19   2.811   0.373   5.916
  116   HG21  VAL  19          HG21      VAL  19   1.520   2.304   6.519
  117   HG22  VAL  19          HG22      VAL  19   2.806   3.451   6.144
  118   HG23  VAL  19          HG23      VAL  19   1.227   3.611   5.373
  119    H    CYS  20           HN       CYS  20   5.679   2.506   3.004
  120    HA   CYS  20           HA       CYS  20   5.118   0.653   0.797
  121    HB2  CYS  20           HB2      CYS  20   7.701   1.434   0.370
  122    HB3  CYS  20           HB3      CYS  20   6.294   2.156  -0.397
  123    H    MET  21           HN       MET  21   5.728  -1.387   1.011
  124    HA   MET  21           HA       MET  21   8.166  -2.072   2.348
  125    HB2  MET  21           HB2      MET  21   7.165  -3.415   4.134
  126    HB3  MET  21           HB3      MET  21   6.766  -1.723   4.297
  127    HG2  MET  21           HG2      MET  21   4.550  -2.095   3.479
  128    HG3  MET  21           HG3      MET  21   4.921  -3.775   3.103
  129    HE1  MET  21           HE1      MET  21   4.763  -2.118   7.412
  130    HE2  MET  21           HE2      MET  21   6.092  -1.795   6.299
  131    HE3  MET  21           HE3      MET  21   4.491  -1.124   5.982
  132    H    TYR  22           HN       TYR  22   8.879  -3.356   0.780
  133    HA   TYR  22           HA       TYR  22   8.118  -6.010   0.801
  134    HB2  TYR  22           HB2      TYR  22   6.453  -4.767  -0.865
  135    HB3  TYR  22           HB3      TYR  22   7.822  -4.959  -1.945
  136    HD1  TYR  22           HD1      TYR  22   8.215  -7.684   0.030
  137    HD2  TYR  22           HD2      TYR  22   5.479  -6.175  -2.856
  138    HE1  TYR  22           HE1      TYR  22   7.493  -9.980  -0.477
  139    HE2  TYR  22           HE2      TYR  22   4.750  -8.465  -3.370
  140    HH   TYR  22           HH       TYR  22   5.600 -11.156  -1.433
  141    H    ILE  23           HN       ILE  23   9.626  -3.445  -0.953
  142    HA   ILE  23           HA       ILE  23  11.679  -3.990  -2.298
  143    HB   ILE  23           HB       ILE  23  13.227  -2.581  -0.775
  144   HG12  ILE  23          HG12      ILE  23  10.567  -2.323   0.628
  145   HG13  ILE  23          HG13      ILE  23  12.059  -2.943   1.322
  146   HG21  ILE  23          HG21      ILE  23  12.051  -0.538  -1.465
  147   HG22  ILE  23          HG22      ILE  23  12.107  -1.734  -2.760
  148   HG23  ILE  23          HG23      ILE  23  10.619  -1.497  -1.840
  149   HD11  ILE  23          HD11      ILE  23  11.605  -0.115   0.399
  150   HD12  ILE  23          HD12      ILE  23  11.572  -0.675   2.073
  151   HD13  ILE  23          HD13      ILE  23  13.072  -0.746   1.149
  152    H    GLU  24           HN       GLU  24  12.378  -6.003  -2.406
  153    HA   GLU  24           HA       GLU  24  13.830  -7.190  -0.156
  154    HB2  GLU  24           HB2      GLU  24  12.549  -8.228  -2.661
  155    HB3  GLU  24           HB3      GLU  24  13.752  -9.198  -1.811
  156    HG2  GLU  24           HG2      GLU  24  11.320  -8.085  -0.469
  157    HG3  GLU  24           HG3      GLU  24  11.325  -9.654  -1.281
  158    H    ALA  25           HN       ALA  25  14.530  -5.243  -2.674
  159    HA   ALA  25           HA       ALA  25  16.243  -4.871  -4.108
  160    HB1  ALA  25           HB1      ALA  25  18.404  -5.993  -3.827
  161    HB2  ALA  25           HB2      ALA  25  17.801  -5.386  -2.286
  162    HB3  ALA  25           HB3      ALA  25  17.681  -7.103  -2.662
  163    H    LEU  26           HN       LEU  26  14.168  -7.097  -4.066
  164    HA   LEU  26           HA       LEU  26  15.021  -8.482  -6.488
  165    HB2  LEU  26           HB2      LEU  26  12.823  -9.231  -4.554
  166    HB3  LEU  26           HB3      LEU  26  13.280 -10.140  -5.983
  167    HG   LEU  26           HG       LEU  26  15.017  -9.727  -3.548
  168   HD11  LEU  26          HD11      LEU  26  13.533 -12.163  -4.527
  169   HD12  LEU  26          HD12      LEU  26  14.654 -12.120  -3.168
  170   HD13  LEU  26          HD13      LEU  26  13.145 -11.212  -3.094
  171   HD21  LEU  26          HD21      LEU  26  16.334  -9.913  -5.593
  172   HD22  LEU  26          HD22      LEU  26  16.506 -11.360  -4.598
  173   HD23  LEU  26          HD23      LEU  26  15.469 -11.388  -6.026
  174    H    ASP  27           HN       ASP  27  13.726  -5.863  -5.530
  175    HA   ASP  27           HA       ASP  27  12.691  -4.233  -6.729
  176    HB2  ASP  27           HB2      ASP  27  13.427  -5.768  -8.691
  177    HB3  ASP  27           HB3      ASP  27  11.718  -6.197  -8.765
  178    H    LYS  28           HN       LYS  28  11.655  -5.180  -4.647
  179    HA   LYS  28           HA       LYS  28   8.843  -5.856  -5.151
  180    HB2  LYS  28           HB2      LYS  28  10.685  -6.097  -2.797
  181    HB3  LYS  28           HB3      LYS  28   8.951  -6.260  -2.594
  182    HG2  LYS  28           HG2      LYS  28  10.728  -7.955  -4.356
  183    HG3  LYS  28           HG3      LYS  28  10.098  -8.423  -2.784
  184    HD2  LYS  28           HD2      LYS  28   8.663  -9.497  -4.254
  185    HD3  LYS  28           HD3      LYS  28   7.776  -8.034  -3.838
  186    HE2  LYS  28           HE2      LYS  28   7.593  -8.433  -6.204
  187    HE3  LYS  28           HE3      LYS  28   8.579  -6.999  -5.937
  188    HZ1  LYS  28           HZ1      LYS  28   9.692  -9.704  -6.475
  189    HZ2  LYS  28           HZ2      LYS  28  10.546  -8.244  -6.410
  190    HZ3  LYS  28           HZ3      LYS  28   9.446  -8.521  -7.663
  191    H    TYR  29           HN       TYR  29   7.191  -4.588  -4.344
  192    HA   TYR  29           HA       TYR  29   7.638  -2.410  -2.575
  193    HB2  TYR  29           HB2      TYR  29   8.518  -1.496  -4.766
  194    HB3  TYR  29           HB3      TYR  29   6.881  -1.647  -5.398
  195    HD1  TYR  29           HD1      TYR  29   5.103  -0.163  -4.624
  196    HD2  TYR  29           HD2      TYR  29   9.069   0.197  -3.128
  197    HE1  TYR  29           HE1      TYR  29   4.540   2.036  -3.679
  198    HE2  TYR  29           HE2      TYR  29   8.516   2.396  -2.180
  199    HH   TYR  29           HH       TYR  29   6.900   4.182  -2.497
  200    H    ALA  30           HN       ALA  30   5.910  -3.049  -1.378
  201    HA   ALA  30           HA       ALA  30   3.291  -2.882  -2.709
  202    HB1  ALA  30           HB1      ALA  30   4.044  -4.290  -0.141
  203    HB2  ALA  30           HB2      ALA  30   2.407  -4.156  -0.782
  204    HB3  ALA  30           HB3      ALA  30   3.630  -5.058  -1.674
  205    H    CYS  31           HN       CYS  31   1.852  -1.347  -1.947
  206    HA   CYS  31           HA       CYS  31   2.825   0.269   0.292
  207    HB2  CYS  31           HB2      CYS  31   3.140   1.476  -1.847
  208    HB3  CYS  31           HB3      CYS  31   1.402   1.364  -2.136
  209    H    ASN  32           HN       ASN  32   1.385   0.993   1.731
  210    HA   ASN  32           HA       ASN  32  -1.298  -0.195   1.537
  211    HB2  ASN  32           HB2      ASN  32   0.430  -1.402   2.950
  212    HB3  ASN  32           HB3      ASN  32   0.364  -0.026   4.041
  213   HD21  ASN  32          HD21      ASN  32  -0.378  -1.417   5.691
  214   HD22  ASN  32          HD22      ASN  32  -2.031  -1.947   5.730
  215    H    CYS  33           HN       CYS  33  -2.612   1.499   1.350
  216    HA   CYS  33           HA       CYS  33  -2.140   3.913   2.898
  217    HB2  CYS  33           HB2      CYS  33  -4.068   3.209   0.693
  218    HB3  CYS  33           HB3      CYS  33  -4.261   4.674   1.647
  219    H    VAL  34           HN       VAL  34  -5.247   2.434   2.135
  220    HA   VAL  34           HA       VAL  34  -5.925   2.202   4.946
  221    HB   VAL  34           HB       VAL  34  -6.219   4.625   4.221
  222   HG11  VAL  34          HG11      VAL  34  -7.030   4.275   1.982
  223   HG12  VAL  34          HG12      VAL  34  -8.458   3.440   2.594
  224   HG13  VAL  34          HG13      VAL  34  -8.234   5.158   2.921
  225   HG21  VAL  34          HG21      VAL  34  -7.348   3.725   6.189
  226   HG22  VAL  34          HG22      VAL  34  -8.388   4.875   5.348
  227   HG23  VAL  34          HG23      VAL  34  -8.671   3.143   5.180
  228    H    VAL  35           HN       VAL  35  -7.970   1.086   5.228
  229    HA   VAL  35           HA       VAL  35  -8.526  -0.808   3.207
  230    HB   VAL  35           HB       VAL  35 -10.342  -1.616   4.621
  231   HG11  VAL  35          HG11      VAL  35  -8.075  -2.330   5.111
  232   HG12  VAL  35          HG12      VAL  35  -7.837  -0.930   6.156
  233   HG13  VAL  35          HG13      VAL  35  -9.000  -2.176   6.605
  234   HG21  VAL  35          HG21      VAL  35  -9.717   0.748   6.405
  235   HG22  VAL  35          HG22      VAL  35 -11.196   0.525   5.471
  236   HG23  VAL  35          HG23      VAL  35 -10.814  -0.577   6.796
  237    H    GLY  36           HN       GLY  36  -8.922   0.402   1.422
  238    HA2  GLY  36           HA1      GLY  36 -11.433   0.964   0.523
  239    HA3  GLY  36           HA2      GLY  36 -10.935   2.451   1.333
  240    H    TYR  37           HN       TYR  37  -8.092   1.689   0.654
  241    HA   TYR  37           HA       TYR  37  -8.082   1.975  -2.262
  242    HB2  TYR  37           HB2      TYR  37  -6.630   3.758  -0.305
  243    HB3  TYR  37           HB3      TYR  37  -6.154   3.615  -1.991
  244    HD1  TYR  37           HD1      TYR  37  -7.814   4.306  -3.772
  245    HD2  TYR  37           HD2      TYR  37  -8.384   5.177   0.353
  246    HE1  TYR  37           HE1      TYR  37  -9.454   6.036  -4.368
  247    HE2  TYR  37           HE2      TYR  37 -10.022   6.916  -0.235
  248    HH   TYR  37           HH       TYR  37 -11.396   7.176  -3.303
  249    H    ILE  38           HN       ILE  38  -7.216  -0.051  -2.673
  250    HA   ILE  38           HA       ILE  38  -4.369  -0.114  -2.150
  251    HB   ILE  38           HB       ILE  38  -5.744  -1.541  -0.413
  252   HG12  ILE  38          HG12      ILE  38  -3.330  -1.253  -0.460
  253   HG13  ILE  38          HG13      ILE  38  -3.758  -2.915  -0.074
  254   HG21  ILE  38          HG21      ILE  38  -5.851  -3.898  -0.980
  255   HG22  ILE  38          HG22      ILE  38  -6.905  -2.943  -2.025
  256   HG23  ILE  38          HG23      ILE  38  -5.357  -3.532  -2.634
  257   HD11  ILE  38          HD11      ILE  38  -3.214  -3.594  -2.344
  258   HD12  ILE  38          HD12      ILE  38  -2.832  -1.924  -2.760
  259   HD13  ILE  38          HD13      ILE  38  -1.846  -2.786  -1.580
  260    H    GLY  39           HN       GLY  39  -3.532  -0.135  -4.103
  261    HA2  GLY  39           HA1      GLY  39  -3.966  -2.308  -5.875
  262    HA3  GLY  39           HA2      GLY  39  -4.717  -0.837  -6.486
  263    H    GLU  40           HN       GLU  40  -1.846  -2.601  -6.222
  264    HA   GLU  40           HA       GLU  40   0.263  -2.315  -6.974
  265    HB2  GLU  40           HB2      GLU  40  -0.692  -1.285  -8.955
  266    HB3  GLU  40           HB3      GLU  40  -0.842   0.255  -8.122
  267    HG2  GLU  40           HG2      GLU  40   1.579   0.427  -7.978
  268    HG3  GLU  40           HG3      GLU  40   1.746  -1.139  -8.773
  269    H    ARG  41           HN       ARG  41  -1.084   0.702  -5.753
  270    HA   ARG  41           HA       ARG  41   0.995   0.895  -3.758
  271    HB2  ARG  41           HB2      ARG  41   1.546   3.242  -4.486
  272    HB3  ARG  41           HB3      ARG  41   2.090   1.967  -5.569
  273    HG2  ARG  41           HG2      ARG  41   1.260   3.505  -7.058
  274    HG3  ARG  41           HG3      ARG  41  -0.139   2.443  -6.823
  275    HD2  ARG  41           HD2      ARG  41  -1.157   3.974  -5.330
  276    HD3  ARG  41           HD3      ARG  41   0.305   4.956  -5.223
  277    HE   ARG  41           HE       ARG  41  -1.579   4.873  -7.477
  278   HH11  ARG  41          HH12      ARG  41   1.243   6.237  -5.939
  279   HH12  ARG  41          HH11      ARG  41   1.237   7.684  -6.895
  280   HH21  ARG  41          HH22      ARG  41  -1.622   6.787  -8.735
  281   HH22  ARG  41          HH21      ARG  41  -0.389   7.994  -8.500
  282    H    CYS  42           HN       CYS  42  -1.549   0.296  -3.447
  283    HA   CYS  42           HA       CYS  42  -3.488   0.689  -2.445
  284    HB2  CYS  42           HB2      CYS  42  -3.544   2.371  -0.601
  285    HB3  CYS  42           HB3      CYS  42  -2.299   1.143  -0.483
  286    H    GLN  43           HN       GLN  43  -4.849   1.164  -4.136
  287    HA   GLN  43           HA       GLN  43  -6.064   3.708  -4.082
  288    HB2  GLN  43           HB2      GLN  43  -5.498   4.585  -6.235
  289    HB3  GLN  43           HB3      GLN  43  -4.004   4.285  -5.362
  290    HG2  GLN  43           HG2      GLN  43  -3.561   2.324  -6.638
  291    HG3  GLN  43           HG3      GLN  43  -5.159   2.384  -7.383
  292   HE21  GLN  43          HE21      GLN  43  -4.329   2.473  -9.464
  293   HE22  GLN  43          HE22      GLN  43  -3.564   3.888 -10.092
  294    H    TYR  44           HN       TYR  44  -6.371   0.529  -4.474
  295    HA   TYR  44           HA       TYR  44  -8.554   0.877  -6.387
  296    HB2  TYR  44           HB2      TYR  44  -6.446  -1.253  -6.438
  297    HB3  TYR  44           HB3      TYR  44  -8.053  -1.568  -7.088
  298    HD1  TYR  44           HD1      TYR  44  -8.873   0.666  -8.554
  299    HD2  TYR  44           HD2      TYR  44  -4.911  -0.794  -8.056
  300    HE1  TYR  44           HE1      TYR  44  -8.222   1.726 -10.675
  301    HE2  TYR  44           HE2      TYR  44  -4.247   0.262 -10.169
  302    HH   TYR  44           HH       TYR  44  -5.268   1.022 -12.237
  303    H    ARG  45           HN       ARG  45  -9.890   1.144  -4.701
  304    HA   ARG  45           HA       ARG  45 -11.601   0.414  -3.422
  305    HB2  ARG  45           HB2      ARG  45 -10.814  -2.282  -4.519
  306    HB3  ARG  45           HB3      ARG  45 -12.325  -1.932  -3.683
  307    HG2  ARG  45           HG2      ARG  45 -13.044  -1.778  -5.839
  308    HG3  ARG  45           HG3      ARG  45 -12.540  -0.106  -5.586
  309    HD2  ARG  45           HD2      ARG  45 -11.619  -0.704  -7.662
  310    HD3  ARG  45           HD3      ARG  45 -10.265  -0.829  -6.520
  311    HE   ARG  45           HE       ARG  45 -11.127  -3.331  -6.500
  312   HH11  ARG  45          HH12      ARG  45 -10.743  -1.189  -9.256
  313   HH12  ARG  45          HH11      ARG  45 -10.404  -2.489 -10.364
  314   HH21  ARG  45          HH22      ARG  45 -10.685  -5.015  -7.957
  315   HH22  ARG  45          HH21      ARG  45 -10.361  -4.660  -9.626
  316    H    ASP  46           HN       ASP  46 -11.943  -1.907  -2.000
  317    HA   ASP  46           HA       ASP  46  -9.915  -1.480   0.077
  318    HB2  ASP  46           HB2      ASP  46 -12.147  -2.327   1.428
  319    HB3  ASP  46           HB3      ASP  46 -11.656  -0.647   1.244
  320    H    LEU  47           HN       LEU  47  -9.370  -3.312  -1.715
  321    HA   LEU  47           HA       LEU  47 -10.311  -5.895  -1.451
  322    HB2  LEU  47           HB2      LEU  47  -7.455  -5.035  -1.920
  323    HB3  LEU  47           HB3      LEU  47  -8.118  -6.616  -2.276
  324    HG   LEU  47           HG       LEU  47  -8.960  -4.046  -3.618
  325   HD11  LEU  47          HD11      LEU  47  -7.794  -4.953  -5.575
  326   HD12  LEU  47          HD12      LEU  47  -6.693  -4.671  -4.225
  327   HD13  LEU  47          HD13      LEU  47  -7.228  -6.308  -4.598
  328   HD21  LEU  47          HD21      LEU  47 -10.177  -5.482  -5.147
  329   HD22  LEU  47          HD22      LEU  47  -9.660  -6.909  -4.246
  330   HD23  LEU  47          HD23      LEU  47 -10.737  -5.734  -3.492
  331    H    LYS  48           HN       LYS  48  -8.601  -4.054   0.862
  332    HA   LYS  48           HA       LYS  48  -7.403  -6.287   2.191
  333    HB2  LYS  48           HB2      LYS  48  -7.105  -4.507   4.060
  334    HB3  LYS  48           HB3      LYS  48  -6.166  -4.382   2.581
  335    HG2  LYS  48           HG2      LYS  48  -8.745  -2.947   2.617
  336    HG3  LYS  48           HG3      LYS  48  -7.486  -2.334   3.684
  337    HD2  LYS  48           HD2      LYS  48  -6.802  -2.952   0.856
  338    HD3  LYS  48           HD3      LYS  48  -7.719  -1.490   1.202
  339    HE2  LYS  48           HE2      LYS  48  -5.311  -1.055   1.103
  340    HE3  LYS  48           HE3      LYS  48  -5.980  -0.718   2.698
  341    HZ1  LYS  48           HZ1      LYS  48  -4.576  -3.255   2.018
  342    HZ2  LYS  48           HZ2      LYS  48  -5.069  -2.728   3.554
  343    HZ3  LYS  48           HZ3      LYS  48  -3.825  -1.917   2.744
  344    H    TRP  49           HN       TRP  49  -9.948  -3.994   3.266
  345    HA   TRP  49           HA       TRP  49 -10.704  -6.033   5.201
  346    HB2  TRP  49           HB2      TRP  49 -10.086  -3.667   5.906
  347    HB3  TRP  49           HB3      TRP  49 -11.652  -3.182   5.251
  348    HD1  TRP  49           HD1      TRP  49 -10.576  -6.152   7.511
  349    HE1  TRP  49           HE1      TRP  49 -12.164  -6.249   9.534
  350    HE3  TRP  49           HE3      TRP  49 -13.482  -2.086   6.451
  351    HZ2  TRP  49           HZ2      TRP  49 -14.344  -4.792  10.544
  352    HZ3  TRP  49           HZ3      TRP  49 -15.299  -1.508   8.003
  353    HH2  TRP  49           HH2      TRP  49 -15.720  -2.830  10.004
  354    H    TRP  50           HN       TRP  50 -12.164  -4.056   2.634
  355    HA   TRP  50           HA       TRP  50 -14.796  -5.087   3.409
  356    HB2  TRP  50           HB2      TRP  50 -14.049  -2.919   1.447
  357    HB3  TRP  50           HB3      TRP  50 -15.693  -3.428   1.794
  358    HD1  TRP  50           HD1      TRP  50 -12.772  -1.488   3.331
  359    HE1  TRP  50           HE1      TRP  50 -13.688  -0.024   5.242
  360    HE3  TRP  50           HE3      TRP  50 -17.547  -3.294   3.508
  361    HZ2  TRP  50           HZ2      TRP  50 -16.114   0.310   6.643
  362    HZ3  TRP  50           HZ3      TRP  50 -19.109  -2.344   5.160
  363    HH2  TRP  50           HH2      TRP  50 -18.405  -0.582   6.693
  364    H    GLU  51           HN       GLU  51 -13.104  -4.515   0.318
  365    HA   GLU  51           HA       GLU  51 -14.869  -5.818  -1.335
  366    HB2  GLU  51           HB2      GLU  51 -11.917  -5.306  -1.520
  367    HB3  GLU  51           HB3      GLU  51 -12.741  -6.208  -2.787
  368    HG2  GLU  51           HG2      GLU  51 -13.484  -3.448  -1.870
  369    HG3  GLU  51           HG3      GLU  51 -12.461  -3.804  -3.260
  370    H    LEU  52           HN       LEU  52 -11.842  -7.193  -0.106
  371    HA   LEU  52           HA       LEU  52 -12.762  -9.839  -0.915
  372    HB2  LEU  52           HB2      LEU  52 -10.083  -9.020   0.185
  373    HB3  LEU  52           HB3      LEU  52 -10.471 -10.525  -0.639
  374    HG   LEU  52           HG       LEU  52 -10.444  -7.766  -1.865
  375   HD11  LEU  52          HD11      LEU  52  -8.535  -8.636  -3.155
  376   HD12  LEU  52          HD12      LEU  52  -8.211  -8.592  -1.422
  377   HD13  LEU  52          HD13      LEU  52  -8.591 -10.123  -2.209
  378   HD21  LEU  52          HD21      LEU  52 -11.007 -10.457  -3.113
  379   HD22  LEU  52          HD22      LEU  52 -12.147  -9.127  -2.916
  380   HD23  LEU  52          HD23      LEU  52 -10.771  -8.954  -4.006
  381    H    ARG  53           HN       ARG  53 -11.899  -7.961   1.855
  382    HA   ARG  53           HA       ARG  53 -12.103  -8.228   4.095
  383    HB2  ARG  53           HB2      ARG  53 -14.417  -8.901   3.635
  384    HB3  ARG  53           HB3      ARG  53 -13.897 -10.557   3.364
  385    HG2  ARG  53           HG2      ARG  53 -14.809 -10.498   5.537
  386    HG3  ARG  53           HG3      ARG  53 -13.059 -10.563   5.745
  387    HD2  ARG  53           HD2      ARG  53 -13.322  -8.823   7.116
  388    HD3  ARG  53           HD3      ARG  53 -13.549  -7.871   5.651
  389    HE   ARG  53           HE       ARG  53 -15.900  -9.110   6.882
  390   HH11  ARG  53          HH12      ARG  53 -14.109  -6.223   6.046
  391   HH12  ARG  53          HH11      ARG  53 -15.356  -5.145   6.585
  392   HH21  ARG  53          HH22      ARG  53 -17.538  -7.704   7.583
  393   HH22  ARG  53          HH21      ARG  53 -17.308  -5.979   7.470
  Start of MODEL    7
    1    H1   ASN   1           H1       ASN   1  17.996  -8.586   1.466
    2    H2   ASN   1           H2       ASN   1  17.854  -8.912   3.117
    3    H3   ASN   1           H3       ASN   1  18.572  -7.466   2.609
    4    HA   ASN   1           HA       ASN   1  16.338  -7.080   3.401
    5    HB2  ASN   1           HB2      ASN   1  16.830  -6.739   0.448
    6    HB3  ASN   1           HB3      ASN   1  15.387  -6.102   1.231
    7   HD21  ASN   1          HD21      ASN   1  17.515  -4.660  -0.099
    8   HD22  ASN   1          HD22      ASN   1  18.187  -3.581   1.078
    9    H    SER   2           HN       SER   2  14.137  -7.417   3.256
   10    HA   SER   2           HA       SER   2  12.750  -9.141   1.587
   11    HB2  SER   2           HB2      SER   2  12.462 -11.109   3.162
   12    HB3  SER   2           HB3      SER   2  14.046 -11.003   2.394
   13    HG   SER   2           HG       SER   2  14.226  -9.622   4.622
   14    H    ASP   3           HN       ASP   3  10.966  -7.926   1.786
   15    HA   ASP   3           HA       ASP   3   9.271  -6.697   2.653
   16    HB2  ASP   3           HB2      ASP   3   8.853  -8.971   3.762
   17    HB3  ASP   3           HB3      ASP   3   9.545  -8.264   5.218
   18    H    SER   4           HN       SER   4  11.550  -5.454   2.670
   19    HA   SER   4           HA       SER   4  12.182  -4.432   5.301
   20    HB2  SER   4           HB2      SER   4  13.303  -3.712   2.584
   21    HB3  SER   4           HB3      SER   4  13.969  -3.219   4.143
   22    HG   SER   4           HG       SER   4  14.541  -5.292   4.577
   23    H    GLU   5           HN       GLU   5  12.185  -2.140   5.752
   24    HA   GLU   5           HA       GLU   5   9.791  -0.866   4.700
   25    HB2  GLU   5           HB2      GLU   5  10.190   0.736   6.603
   26    HB3  GLU   5           HB3      GLU   5   9.900  -0.931   7.079
   27    HG2  GLU   5           HG2      GLU   5  12.384  -1.217   7.249
   28    HG3  GLU   5           HG3      GLU   5  12.533   0.521   6.999
   29    H    CYS   6           HN       CYS   6   9.768   1.041   3.602
   30    HA   CYS   6           HA       CYS   6  12.370   2.053   2.707
   31    HB2  CYS   6           HB2      CYS   6  10.383   3.348   1.235
   32    HB3  CYS   6           HB3      CYS   6  11.382   2.004   0.698
   33    HA   PRO   7           HA       PRO   7  12.183   5.774   5.093
   34    HB2  PRO   7           HB2      PRO   7  13.123   7.051   2.571
   35    HB3  PRO   7           HB3      PRO   7  13.791   7.157   4.204
   36    HG2  PRO   7           HG2      PRO   7  14.984   5.661   2.368
   37    HG3  PRO   7           HG3      PRO   7  14.846   5.089   4.042
   38    HD2  PRO   7           HD2      PRO   7  13.272   4.288   1.629
   39    HD3  PRO   7           HD3      PRO   7  13.854   3.289   2.976
   40    H    LEU   8           HN       LEU   8  11.278   7.996   4.989
   41    HA   LEU   8           HA       LEU   8   8.533   7.658   4.632
   42    HB2  LEU   8           HB2      LEU   8  10.219  10.019   5.314
   43    HB3  LEU   8           HB3      LEU   8   8.493  10.183   5.081
   44    HG   LEU   8           HG       LEU   8   8.107   8.541   6.889
   45   HD11  LEU   8          HD11      LEU   8  11.086   8.731   7.313
   46   HD12  LEU   8          HD12      LEU   8   9.936   7.916   8.373
   47   HD13  LEU   8          HD13      LEU   8  10.214   7.310   6.740
   48   HD21  LEU   8          HD21      LEU   8   8.077  10.932   7.339
   49   HD22  LEU   8          HD22      LEU   8   8.721  10.038   8.717
   50   HD23  LEU   8          HD23      LEU   8   9.815  10.907   7.641
   51    H    SER   9           HN       SER   9  10.642   8.400   2.186
   52    HA   SER   9           HA       SER   9   8.910  10.287   0.840
   53    HB2  SER   9           HB2      SER   9  10.757  10.014  -0.971
   54    HB3  SER   9           HB3      SER   9  11.150  10.867   0.524
   55    HG   SER   9           HG       SER   9  12.353   9.215   1.191
   56    H    HIS  10           HN       HIS  10   9.453   6.922   1.017
   57    HA   HIS  10           HA       HIS  10   8.317   6.449  -1.631
   58    HB2  HIS  10           HB2      HIS  10   9.686   4.694   0.374
   59    HB3  HIS  10           HB3      HIS  10   8.668   3.976  -0.872
   60    HD1  HIS  10           HD1      HIS  10  11.890   5.886  -0.436
   61    HD2  HIS  10           HD2      HIS  10   9.717   3.995  -3.439
   62    HE1  HIS  10           HE1      HIS  10  13.430   5.771  -2.414
   63    HE2  HIS  10           HE2      HIS  10  12.030   4.813  -4.277
   64    H    ASP  11           HN       ASP  11   7.437   6.211   1.747
   65    HA   ASP  11           HA       ASP  11   4.884   5.012   1.129
   66    HB2  ASP  11           HB2      ASP  11   4.415   5.147   3.485
   67    HB3  ASP  11           HB3      ASP  11   6.079   4.602   3.304
   68    H    GLY  12           HN       GLY  12   6.275   8.151   1.794
   69    HA2  GLY  12           HA1      GLY  12   3.854   9.628   1.623
   70    HA3  GLY  12           HA2      GLY  12   5.478  10.269   1.387
   71    H    TYR  13           HN       TYR  13   6.099   8.308  -0.705
   72    HA   TYR  13           HA       TYR  13   5.073   9.615  -2.994
   73    HB2  TYR  13           HB2      TYR  13   7.227   8.325  -2.866
   74    HB3  TYR  13           HB3      TYR  13   6.274   6.845  -2.890
   75    HD1  TYR  13           HD2      TYR  13   6.536  10.026  -4.860
   76    HD2  TYR  13           HD1      TYR  13   6.073   5.795  -4.920
   77    HE1  TYR  13           HE2      TYR  13   6.524  10.065  -7.319
   78    HE2  TYR  13           HE1      TYR  13   6.061   5.825  -7.379
   79    HH   TYR  13           HH       TYR  13   6.905   8.644  -9.187
   80    H    CYS  14           HN       CYS  14   3.759   7.159  -0.994
   81    HA   CYS  14           HA       CYS  14   1.954   6.090  -2.941
   82    HB2  CYS  14           HB2      CYS  14   2.091   5.906   0.063
   83    HB3  CYS  14           HB3      CYS  14   0.726   5.257  -0.842
   84    H    LEU  15           HN       LEU  15  -0.550   6.317  -1.339
   85    HA   LEU  15           HA       LEU  15  -1.088   8.976  -2.463
   86    HB2  LEU  15           HB2      LEU  15  -2.942   6.615  -2.370
   87    HB3  LEU  15           HB3      LEU  15  -3.310   8.184  -3.062
   88    HG   LEU  15           HG       LEU  15  -1.260   6.211  -4.057
   89   HD11  LEU  15          HD11      LEU  15  -3.529   5.598  -4.621
   90   HD12  LEU  15          HD12      LEU  15  -3.844   7.222  -5.236
   91   HD13  LEU  15          HD13      LEU  15  -2.690   6.175  -6.059
   92   HD21  LEU  15          HD21      LEU  15  -0.417   8.472  -4.337
   93   HD22  LEU  15          HD22      LEU  15  -0.890   7.796  -5.896
   94   HD23  LEU  15          HD23      LEU  15  -1.936   8.965  -5.088
   95    H    HIS  16           HN       HIS  16  -3.284   6.961  -0.510
   96    HA   HIS  16           HA       HIS  16  -3.987   9.534   0.731
   97    HB2  HIS  16           HB2      HIS  16  -5.588   7.759  -0.650
   98    HB3  HIS  16           HB3      HIS  16  -5.973   7.416   1.033
   99    HD1  HIS  16           HD1      HIS  16  -7.958   8.717   1.758
  100    HD2  HIS  16           HD2      HIS  16  -5.593  10.842  -0.930
  101    HE1  HIS  16           HE1      HIS  16  -9.118  10.923   1.419
  102    HE2  HIS  16           HE2      HIS  16  -7.748  12.134  -0.316
  103    H    ASP  17           HN       ASP  17  -1.989   7.648   1.601
  104    HA   ASP  17           HA       ASP  17  -2.085   8.067   4.308
  105    HB2  ASP  17           HB2      ASP  17  -3.930   6.408   4.348
  106    HB3  ASP  17           HB3      ASP  17  -2.850   5.210   3.641
  107    H    GLY  18           HN       GLY  18  -1.229   5.581   1.977
  108    HA2  GLY  18           HA1      GLY  18   0.757   4.710   1.302
  109    HA3  GLY  18           HA2      GLY  18   1.418   6.284   1.682
  110    H    VAL  19           HN       VAL  19   1.352   2.988   2.448
  111    HA   VAL  19           HA       VAL  19   3.622   3.454   4.249
  112    HB   VAL  19           HB       VAL  19   1.485   1.363   4.787
  113   HG11  VAL  19          HG11      VAL  19   4.019   2.026   6.284
  114   HG12  VAL  19          HG12      VAL  19   2.784   0.885   6.819
  115   HG13  VAL  19          HG13      VAL  19   3.705   0.565   5.348
  116   HG21  VAL  19          HG21      VAL  19   1.058   2.595   6.868
  117   HG22  VAL  19          HG22      VAL  19   2.190   3.845   6.351
  118   HG23  VAL  19          HG23      VAL  19   0.703   3.569   5.442
  119    H    CYS  20           HN       CYS  20   5.384   2.194   3.549
  120    HA   CYS  20           HA       CYS  20   4.711   0.206   1.487
  121    HB2  CYS  20           HB2      CYS  20   6.519   0.987   0.087
  122    HB3  CYS  20           HB3      CYS  20   5.464   2.344   0.461
  123    H    MET  21           HN       MET  21   5.631  -1.718   1.745
  124    HA   MET  21           HA       MET  21   8.352  -1.965   2.532
  125    HB2  MET  21           HB2      MET  21   8.004  -3.275   4.585
  126    HB3  MET  21           HB3      MET  21   7.452  -1.625   4.749
  127    HG2  MET  21           HG2      MET  21   5.137  -2.405   4.367
  128    HG3  MET  21           HG3      MET  21   5.737  -4.063   4.351
  129    HE1  MET  21           HE1      MET  21   6.024  -1.275   8.021
  130    HE2  MET  21           HE2      MET  21   7.063  -1.118   6.604
  131    HE3  MET  21           HE3      MET  21   5.336  -0.791   6.470
  132    H    TYR  22           HN       TYR  22   9.005  -3.446   1.095
  133    HA   TYR  22           HA       TYR  22   8.273  -6.128   1.426
  134    HB2  TYR  22           HB2      TYR  22   6.546  -4.872  -0.286
  135    HB3  TYR  22           HB3      TYR  22   7.742  -5.578  -1.370
  136    HD1  TYR  22           HD1      TYR  22   5.776  -6.595   1.669
  137    HD2  TYR  22           HD2      TYR  22   7.304  -7.696  -2.144
  138    HE1  TYR  22           HE1      TYR  22   4.670  -8.787   1.859
  139    HE2  TYR  22           HE2      TYR  22   6.203  -9.883  -1.965
  140    HH   TYR  22           HH       TYR  22   5.325 -11.374  -0.311
  141    H    ILE  23           HN       ILE  23   9.819  -3.768  -0.579
  142    HA   ILE  23           HA       ILE  23  11.620  -4.732  -2.119
  143    HB   ILE  23           HB       ILE  23  13.513  -3.449  -0.804
  144   HG12  ILE  23          HG12      ILE  23  11.882  -3.312   1.223
  145   HG13  ILE  23          HG13      ILE  23  12.846  -1.904   0.792
  146   HG21  ILE  23          HG21      ILE  23  12.563  -2.790  -2.932
  147   HG22  ILE  23          HG22      ILE  23  11.167  -2.090  -2.113
  148   HG23  ILE  23          HG23      ILE  23  12.769  -1.390  -1.879
  149   HD11  ILE  23          HD11      ILE  23  10.583  -1.255   1.333
  150   HD12  ILE  23          HD12      ILE  23  10.907  -0.954  -0.374
  151   HD13  ILE  23          HD13      ILE  23   9.948  -2.354   0.108
  152    H    GLU  24           HN       GLU  24  12.340  -6.682  -2.207
  153    HA   GLU  24           HA       GLU  24  13.707  -7.934   0.089
  154    HB2  GLU  24           HB2      GLU  24  12.203  -9.004  -2.279
  155    HB3  GLU  24           HB3      GLU  24  13.188 -10.046  -1.257
  156    HG2  GLU  24           HG2      GLU  24  11.757  -9.594   0.615
  157    HG3  GLU  24           HG3      GLU  24  10.863  -8.393  -0.319
  158    H    ALA  25           HN       ALA  25  14.726  -6.076  -2.093
  159    HA   ALA  25           HA       ALA  25  16.455  -5.837  -3.546
  160    HB1  ALA  25           HB1      ALA  25  17.829  -7.132  -1.969
  161    HB2  ALA  25           HB2      ALA  25  17.279  -8.630  -2.722
  162    HB3  ALA  25           HB3      ALA  25  18.257  -7.485  -3.643
  163    H    LEU  26           HN       LEU  26  13.846  -7.198  -3.955
  164    HA   LEU  26           HA       LEU  26  14.343  -8.288  -6.626
  165    HB2  LEU  26           HB2      LEU  26  12.090  -8.935  -4.723
  166    HB3  LEU  26           HB3      LEU  26  12.179  -9.488  -6.385
  167    HG   LEU  26           HG       LEU  26  14.160 -10.214  -4.224
  168   HD11  LEU  26          HD11      LEU  26  11.963 -11.179  -3.785
  169   HD12  LEU  26          HD12      LEU  26  11.904 -11.811  -5.432
  170   HD13  LEU  26          HD13      LEU  26  13.107 -12.421  -4.297
  171   HD21  LEU  26          HD21      LEU  26  14.959 -11.852  -5.841
  172   HD22  LEU  26          HD22      LEU  26  13.789 -11.270  -7.026
  173   HD23  LEU  26          HD23      LEU  26  15.097 -10.217  -6.489
  174    H    ASP  27           HN       ASP  27  13.571  -5.724  -4.993
  175    HA   ASP  27           HA       ASP  27  12.649  -3.730  -5.488
  176    HB2  ASP  27           HB2      ASP  27  13.582  -4.255  -7.764
  177    HB3  ASP  27           HB3      ASP  27  11.985  -4.848  -8.214
  178    H    LYS  28           HN       LYS  28  11.250  -5.074  -3.948
  179    HA   LYS  28           HA       LYS  28   8.532  -5.427  -4.983
  180    HB2  LYS  28           HB2      LYS  28   9.549  -6.146  -2.230
  181    HB3  LYS  28           HB3      LYS  28   8.080  -6.708  -3.022
  182    HG2  LYS  28           HG2      LYS  28  10.857  -7.371  -3.977
  183    HG3  LYS  28           HG3      LYS  28   9.874  -8.413  -2.944
  184    HD2  LYS  28           HD2      LYS  28   8.953  -7.423  -5.637
  185    HD3  LYS  28           HD3      LYS  28   9.830  -8.939  -5.421
  186    HE2  LYS  28           HE2      LYS  28   7.270  -8.279  -3.973
  187    HE3  LYS  28           HE3      LYS  28   7.322  -9.130  -5.517
  188    HZ1  LYS  28           HZ1      LYS  28   8.628 -10.050  -3.001
  189    HZ2  LYS  28           HZ2      LYS  28   8.634 -10.867  -4.489
  190    HZ3  LYS  28           HZ3      LYS  28   7.179 -10.662  -3.645
  191    H    TYR  29           HN       TYR  29   6.791  -4.488  -3.927
  192    HA   TYR  29           HA       TYR  29   7.236  -2.429  -1.949
  193    HB2  TYR  29           HB2      TYR  29   6.258  -1.798  -4.743
  194    HB3  TYR  29           HB3      TYR  29   6.012  -0.723  -3.373
  195    HD1  TYR  29           HD1      TYR  29   8.097   0.157  -2.167
  196    HD2  TYR  29           HD2      TYR  29   8.241  -1.722  -5.985
  197    HE1  TYR  29           HE1      TYR  29  10.300   1.176  -2.583
  198    HE2  TYR  29           HE2      TYR  29  10.440  -0.711  -6.405
  199    HH   TYR  29           HH       TYR  29  11.726   1.255  -5.644
  200    H    ALA  30           HN       ALA  30   5.812  -3.339  -0.558
  201    HA   ALA  30           HA       ALA  30   3.049  -3.616  -1.504
  202    HB1  ALA  30           HB1      ALA  30   2.613  -4.777   0.612
  203    HB2  ALA  30           HB2      ALA  30   3.915  -5.553  -0.289
  204    HB3  ALA  30           HB3      ALA  30   4.290  -4.527   1.097
  205    H    CYS  31           HN       CYS  31   2.094  -1.695  -1.445
  206    HA   CYS  31           HA       CYS  31   2.644   0.051   0.837
  207    HB2  CYS  31           HB2      CYS  31   3.145   1.121  -1.292
  208    HB3  CYS  31           HB3      CYS  31   1.538   0.724  -1.900
  209    H    ASN  32           HN       ASN  32   0.981   0.781   2.074
  210    HA   ASN  32           HA       ASN  32  -1.691  -0.144   1.349
  211    HB2  ASN  32           HB2      ASN  32  -2.088  -0.983   3.594
  212    HB3  ASN  32           HB3      ASN  32  -0.679  -1.751   2.876
  213   HD21  ASN  32          HD21      ASN  32  -1.835   0.247   5.434
  214   HD22  ASN  32          HD22      ASN  32  -0.346   0.332   6.311
  215    H    CYS  33           HN       CYS  33  -2.652   1.700   0.938
  216    HA   CYS  33           HA       CYS  33  -2.298   3.983   2.658
  217    HB2  CYS  33           HB2      CYS  33  -3.927   3.533   0.153
  218    HB3  CYS  33           HB3      CYS  33  -4.040   5.014   1.107
  219    H    VAL  34           HN       VAL  34  -5.446   2.820   1.434
  220    HA   VAL  34           HA       VAL  34  -6.342   2.575   4.189
  221    HB   VAL  34           HB       VAL  34  -6.489   5.005   3.462
  222   HG11  VAL  34          HG11      VAL  34  -8.368   5.647   2.039
  223   HG12  VAL  34          HG12      VAL  34  -7.178   4.679   1.170
  224   HG13  VAL  34          HG13      VAL  34  -8.691   3.945   1.702
  225   HG21  VAL  34          HG21      VAL  34  -7.757   4.171   5.351
  226   HG22  VAL  34          HG22      VAL  34  -8.734   5.319   4.437
  227   HG23  VAL  34          HG23      VAL  34  -9.029   3.588   4.276
  228    H    VAL  35           HN       VAL  35  -8.216   1.351   4.380
  229    HA   VAL  35           HA       VAL  35  -8.901  -0.357   2.250
  230    HB   VAL  35           HB       VAL  35  -9.320  -1.208   4.378
  231   HG11  VAL  35          HG11      VAL  35 -10.755  -0.164   6.055
  232   HG12  VAL  35          HG12      VAL  35  -9.457   0.933   5.585
  233   HG13  VAL  35          HG13      VAL  35 -11.089   1.172   4.954
  234   HG21  VAL  35          HG21      VAL  35 -11.954  -0.448   3.149
  235   HG22  VAL  35          HG22      VAL  35 -11.013  -1.907   2.845
  236   HG23  VAL  35          HG23      VAL  35 -11.761  -1.655   4.421
  237    H    GLY  36           HN       GLY  36  -9.389   0.670   0.478
  238    HA2  GLY  36           HA1      GLY  36 -11.793   1.343  -0.420
  239    HA3  GLY  36           HA2      GLY  36 -11.367   2.816   0.455
  240    H    TYR  37           HN       TYR  37  -8.488   2.178  -0.135
  241    HA   TYR  37           HA       TYR  37  -8.439   2.477  -3.048
  242    HB2  TYR  37           HB2      TYR  37  -6.747   4.081  -1.098
  243    HB3  TYR  37           HB3      TYR  37  -6.547   4.083  -2.841
  244    HD1  TYR  37           HD2      TYR  37  -9.048   4.882  -0.194
  245    HD2  TYR  37           HD1      TYR  37  -7.628   5.706  -4.114
  246    HE1  TYR  37           HE2      TYR  37 -10.647   6.746  -0.376
  247    HE2  TYR  37           HE1      TYR  37  -9.217   7.563  -4.309
  248    HH   TYR  37           HH       TYR  37 -11.117   8.675  -1.599
  249    H    ILE  38           HN       ILE  38  -7.684   0.403  -3.407
  250    HA   ILE  38           HA       ILE  38  -4.872   0.111  -2.715
  251    HB   ILE  38           HB       ILE  38  -6.356  -1.281  -1.198
  252   HG12  ILE  38          HG12      ILE  38  -3.925  -1.561  -1.535
  253   HG13  ILE  38          HG13      ILE  38  -4.756  -3.035  -1.059
  254   HG21  ILE  38          HG21      ILE  38  -7.938  -2.161  -2.767
  255   HG22  ILE  38          HG22      ILE  38  -6.649  -2.943  -3.685
  256   HG23  ILE  38          HG23      ILE  38  -7.025  -3.489  -2.051
  257   HD11  ILE  38          HD11      ILE  38  -4.684  -3.803  -3.396
  258   HD12  ILE  38          HD12      ILE  38  -3.797  -2.343  -3.828
  259   HD13  ILE  38          HD13      ILE  38  -3.079  -3.516  -2.726
  260    H    GLY  39           HN       GLY  39  -3.785   0.142  -4.587
  261    HA2  GLY  39           HA1      GLY  39  -4.460  -1.704  -6.684
  262    HA3  GLY  39           HA2      GLY  39  -4.802  -0.034  -7.126
  263    H    GLU  40           HN       GLU  40  -2.487  -2.409  -6.770
  264    HA   GLU  40           HA       GLU  40  -0.291  -2.646  -7.072
  265    HB2  GLU  40           HB2      GLU  40  -0.525  -1.365  -9.149
  266    HB3  GLU  40           HB3      GLU  40  -0.369   0.140  -8.244
  267    HG2  GLU  40           HG2      GLU  40   1.889  -0.392  -7.631
  268    HG3  GLU  40           HG3      GLU  40   1.751  -1.999  -8.348
  269    H    ARG  41           HN       ARG  41  -1.110   0.545  -5.978
  270    HA   ARG  41           HA       ARG  41   0.795   0.259  -3.786
  271    HB2  ARG  41           HB2      ARG  41   0.988   2.695  -3.808
  272    HB3  ARG  41           HB3      ARG  41   1.375   2.024  -5.392
  273    HG2  ARG  41           HG2      ARG  41  -1.435   2.731  -5.020
  274    HG3  ARG  41           HG3      ARG  41  -0.319   4.109  -4.974
  275    HD2  ARG  41           HD2      ARG  41  -0.769   2.103  -7.172
  276    HD3  ARG  41           HD3      ARG  41  -1.071   3.838  -7.213
  277    HE   ARG  41           HE       ARG  41   1.599   3.687  -6.763
  278   HH11  ARG  41          HH12      ARG  41  -0.573   2.366  -9.163
  279   HH12  ARG  41          HH11      ARG  41   0.635   2.238 -10.404
  280   HH21  ARG  41          HH22      ARG  41   3.208   3.542  -8.401
  281   HH22  ARG  41          HH21      ARG  41   2.794   2.890  -9.952
  282    H    CYS  42           HN       CYS  42  -2.370   1.483  -4.758
  283    HA   CYS  42           HA       CYS  42  -4.003   0.986  -2.743
  284    HB2  CYS  42           HB2      CYS  42  -3.828   2.798  -1.068
  285    HB3  CYS  42           HB3      CYS  42  -2.410   1.757  -1.063
  286    H    GLN  43           HN       GLN  43  -5.164   1.473  -4.875
  287    HA   GLN  43           HA       GLN  43  -6.188   4.184  -4.700
  288    HB2  GLN  43           HB2      GLN  43  -5.728   4.662  -7.122
  289    HB3  GLN  43           HB3      GLN  43  -4.328   4.678  -6.057
  290    HG2  GLN  43           HG2      GLN  43  -3.749   2.420  -6.804
  291    HG3  GLN  43           HG3      GLN  43  -5.131   2.431  -7.894
  292   HE21  GLN  43          HE21      GLN  43  -3.211   5.284  -7.348
  293   HE22  GLN  43          HE22      GLN  43  -2.448   5.310  -8.908
  294    H    TYR  44           HN       TYR  44  -6.895   1.057  -5.025
  295    HA   TYR  44           HA       TYR  44  -9.387   1.692  -6.407
  296    HB2  TYR  44           HB2      TYR  44  -7.478  -0.485  -7.246
  297    HB3  TYR  44           HB3      TYR  44  -9.177  -0.485  -7.697
  298    HD1  TYR  44           HD1      TYR  44  -9.987   1.760  -8.857
  299    HD2  TYR  44           HD2      TYR  44  -5.951   0.426  -8.710
  300    HE1  TYR  44           HE1      TYR  44  -9.461   3.158 -10.808
  301    HE2  TYR  44           HE2      TYR  44  -5.410   1.827 -10.659
  302    HH   TYR  44           HH       TYR  44  -7.495   4.247 -11.806
  303    H    ARG  45           HN       ARG  45 -10.986   1.066  -5.191
  304    HA   ARG  45           HA       ARG  45 -12.331  -0.363  -4.047
  305    HB2  ARG  45           HB2      ARG  45 -10.200  -2.361  -4.800
  306    HB3  ARG  45           HB3      ARG  45 -11.755  -2.797  -4.076
  307    HG2  ARG  45           HG2      ARG  45 -12.446  -3.079  -6.180
  308    HG3  ARG  45           HG3      ARG  45 -12.503  -1.320  -6.266
  309    HD2  ARG  45           HD2      ARG  45 -10.197  -1.289  -7.127
  310    HD3  ARG  45           HD3      ARG  45 -10.156  -3.052  -7.040
  311    HE   ARG  45           HE       ARG  45 -12.336  -2.531  -8.593
  312   HH11  ARG  45          HH12      ARG  45  -8.938  -1.741  -8.778
  313   HH12  ARG  45          HH11      ARG  45  -8.924  -1.610 -10.511
  314   HH21  ARG  45          HH22      ARG  45 -12.322  -2.395 -10.877
  315   HH22  ARG  45          HH21      ARG  45 -10.848  -1.986 -11.697
  316    H    ASP  46           HN       ASP  46 -12.247  -2.094  -2.230
  317    HA   ASP  46           HA       ASP  46 -10.302  -1.128  -0.260
  318    HB2  ASP  46           HB2      ASP  46 -12.215  -1.776   1.396
  319    HB3  ASP  46           HB3      ASP  46 -12.273  -0.230   0.566
  320    H    LEU  47           HN       LEU  47  -9.887  -3.173  -2.016
  321    HA   LEU  47           HA       LEU  47 -10.557  -5.749  -1.260
  322    HB2  LEU  47           HB2      LEU  47  -7.985  -4.831  -2.535
  323    HB3  LEU  47           HB3      LEU  47  -8.613  -6.468  -2.551
  324    HG   LEU  47           HG       LEU  47  -9.982  -4.108  -3.850
  325   HD11  LEU  47          HD11      LEU  47  -9.219  -5.062  -5.964
  326   HD12  LEU  47          HD12      LEU  47  -7.856  -4.596  -4.947
  327   HD13  LEU  47          HD13      LEU  47  -8.311  -6.294  -5.088
  328   HD21  LEU  47          HD21      LEU  47 -11.507  -5.894  -3.201
  329   HD22  LEU  47          HD22      LEU  47 -11.327  -5.820  -4.954
  330   HD23  LEU  47          HD23      LEU  47 -10.494  -7.074  -4.034
  331    H    LYS  48           HN       LYS  48  -8.347  -3.586   0.301
  332    HA   LYS  48           HA       LYS  48  -6.640  -5.630   1.313
  333    HB2  LYS  48           HB2      LYS  48  -5.980  -3.745   2.960
  334    HB3  LYS  48           HB3      LYS  48  -5.514  -3.655   1.270
  335    HG2  LYS  48           HG2      LYS  48  -7.263  -2.078   0.817
  336    HG3  LYS  48           HG3      LYS  48  -7.903  -2.263   2.452
  337    HD2  LYS  48           HD2      LYS  48  -6.632  -0.274   2.495
  338    HD3  LYS  48           HD3      LYS  48  -5.658  -1.510   3.287
  339    HE2  LYS  48           HE2      LYS  48  -5.320  -0.696   0.393
  340    HE3  LYS  48           HE3      LYS  48  -4.382  -0.021   1.731
  341    HZ1  LYS  48           HZ1      LYS  48  -3.608  -2.291   2.261
  342    HZ2  LYS  48           HZ2      LYS  48  -3.138  -1.805   0.704
  343    HZ3  LYS  48           HZ3      LYS  48  -4.426  -2.877   0.901
  344    H    TRP  49           HN       TRP  49  -8.949  -3.532   3.055
  345    HA   TRP  49           HA       TRP  49  -8.927  -5.538   5.169
  346    HB2  TRP  49           HB2      TRP  49  -9.923  -2.689   5.242
  347    HB3  TRP  49           HB3      TRP  49  -9.799  -3.783   6.622
  348    HD1  TRP  49           HD1      TRP  49  -8.012  -0.990   5.322
  349    HE1  TRP  49           HE1      TRP  49  -5.500  -1.042   5.887
  350    HE3  TRP  49           HE3      TRP  49  -7.590  -5.904   6.692
  351    HZ2  TRP  49           HZ2      TRP  49  -3.597  -2.921   6.787
  352    HZ3  TRP  49           HZ3      TRP  49  -5.387  -6.747   7.386
  353    HH2  TRP  49           HH2      TRP  49  -3.429  -5.286   7.433
  354    H    TRP  50           HN       TRP  50 -11.186  -3.952   2.965
  355    HA   TRP  50           HA       TRP  50 -13.409  -5.125   4.471
  356    HB2  TRP  50           HB2      TRP  50 -13.221  -2.623   3.760
  357    HB3  TRP  50           HB3      TRP  50 -13.804  -3.216   2.208
  358    HD1  TRP  50           HD1      TRP  50 -16.309  -4.337   2.208
  359    HE1  TRP  50           HE1      TRP  50 -18.334  -3.874   3.735
  360    HE3  TRP  50           HE3      TRP  50 -13.886  -2.007   6.060
  361    HZ2  TRP  50           HZ2      TRP  50 -18.822  -2.671   6.241
  362    HZ3  TRP  50           HZ3      TRP  50 -15.206  -1.232   7.986
  363    HH2  TRP  50           HH2      TRP  50 -17.624  -1.559   8.072
  364    H    GLU  51           HN       GLU  51 -12.383  -4.781   1.054
  365    HA   GLU  51           HA       GLU  51 -14.547  -6.279   0.042
  366    HB2  GLU  51           HB2      GLU  51 -11.932  -5.358  -1.100
  367    HB3  GLU  51           HB3      GLU  51 -12.912  -6.505  -2.004
  368    HG2  GLU  51           HG2      GLU  51 -13.644  -3.725  -1.139
  369    HG3  GLU  51           HG3      GLU  51 -13.347  -4.303  -2.777
  370    H    LEU  52           HN       LEU  52 -11.146  -7.137   0.493
  371    HA   LEU  52           HA       LEU  52 -11.862  -9.956   0.108
  372    HB2  LEU  52           HB2      LEU  52  -9.137  -8.695   0.250
  373    HB3  LEU  52           HB3      LEU  52  -9.506 -10.332  -0.275
  374    HG   LEU  52           HG       LEU  52 -10.233  -7.771  -1.688
  375   HD11  LEU  52          HD11      LEU  52  -8.701  -8.631  -3.426
  376   HD12  LEU  52          HD12      LEU  52  -7.881  -8.326  -1.894
  377   HD13  LEU  52          HD13      LEU  52  -8.283  -9.978  -2.367
  378   HD21  LEU  52          HD21      LEU  52 -10.781 -10.637  -2.470
  379   HD22  LEU  52          HD22      LEU  52 -11.983  -9.440  -1.982
  380   HD23  LEU  52          HD23      LEU  52 -11.077  -9.222  -3.480
  381    H    ARG  53           HN       ARG  53 -10.424  -7.699   2.307
  382    HA   ARG  53           HA       ARG  53  -9.793  -7.774   4.492
  383    HB2  ARG  53           HB2      ARG  53 -12.138  -8.527   4.807
  384    HB3  ARG  53           HB3      ARG  53 -11.606 -10.197   4.652
  385    HG2  ARG  53           HG2      ARG  53 -10.112  -9.803   6.632
  386    HG3  ARG  53           HG3      ARG  53 -10.914  -8.244   6.834
  387    HD2  ARG  53           HD2      ARG  53 -13.073  -9.414   7.037
  388    HD3  ARG  53           HD3      ARG  53 -12.227 -10.957   6.904
  389    HE   ARG  53           HE       ARG  53 -11.586  -9.069   9.067
  390   HH11  ARG  53          HH12      ARG  53 -12.680 -12.225   7.998
  391   HH12  ARG  53          HH11      ARG  53 -12.613 -12.925   9.592
  392   HH21  ARG  53          HH22      ARG  53 -11.485  -9.985  11.150
  393   HH22  ARG  53          HH21      ARG  53 -11.907 -11.656  11.384
  Start of MODEL    8
    1    H1   ASN   1           H1       ASN   1   9.705 -11.976   2.336
    2    H2   ASN   1           H2       ASN   1   8.727 -10.616   2.078
    3    H3   ASN   1           H3       ASN   1   8.513 -11.556   3.469
    4    HA   ASN   1           HA       ASN   1  10.695 -10.952   4.261
    5    HB2  ASN   1           HB2      ASN   1  10.760  -9.385   1.690
    6    HB3  ASN   1           HB3      ASN   1  11.736  -8.914   3.075
    7   HD21  ASN   1          HD21      ASN   1  13.644  -9.272   2.015
    8   HD22  ASN   1          HD22      ASN   1  14.233 -10.860   1.653
    9    H    SER   2           HN       SER   2   9.014  -8.334   2.506
   10    HA   SER   2           HA       SER   2   8.373  -6.279   3.206
   11    HB2  SER   2           HB2      SER   2   7.571  -7.816   5.697
   12    HB3  SER   2           HB3      SER   2   7.103  -6.151   5.354
   13    HG   SER   2           HG       SER   2   5.444  -7.439   4.657
   14    H    ASP   3           HN       ASP   3  10.655  -5.796   3.088
   15    HA   ASP   3           HA       ASP   3  12.350  -6.235   5.364
   16    HB2  ASP   3           HB2      ASP   3  12.925  -6.125   2.823
   17    HB3  ASP   3           HB3      ASP   3  13.044  -4.390   3.101
   18    H    SER   4           HN       SER   4  13.865  -3.718   5.139
   19    HA   SER   4           HA       SER   4  12.051  -1.707   6.190
   20    HB2  SER   4           HB2      SER   4  14.297  -2.797   7.913
   21    HB3  SER   4           HB3      SER   4  13.143  -1.536   8.353
   22    HG   SER   4           HG       SER   4  11.625  -3.488   7.681
   23    H    GLU   5           HN       GLU   5  13.059  -0.967   4.046
   24    HA   GLU   5           HA       GLU   5  15.391   0.676   4.741
   25    HB2  GLU   5           HB2      GLU   5  16.345  -1.212   3.547
   26    HB3  GLU   5           HB3      GLU   5  15.193  -1.004   2.233
   27    HG2  GLU   5           HG2      GLU   5  16.171   1.135   1.665
   28    HG3  GLU   5           HG3      GLU   5  17.274   1.021   3.033
   29    H    CYS   6           HN       CYS   6  12.485   0.187   2.895
   30    HA   CYS   6           HA       CYS   6  12.767   2.013   0.851
   31    HB2  CYS   6           HB2      CYS   6  10.880   0.447   1.024
   32    HB3  CYS   6           HB3      CYS   6  10.217   1.397   2.352
   33    HA   PRO   7           HA       PRO   7  13.003   5.932   3.005
   34    HB2  PRO   7           HB2      PRO   7  12.903   6.944   0.233
   35    HB3  PRO   7           HB3      PRO   7  14.138   7.190   1.472
   36    HG2  PRO   7           HG2      PRO   7  14.591   5.620  -0.644
   37    HG3  PRO   7           HG3      PRO   7  15.232   5.217   0.961
   38    HD2  PRO   7           HD2      PRO   7  12.840   4.098  -0.457
   39    HD3  PRO   7           HD3      PRO   7  14.082   3.255   0.494
   40    H    LEU   8           HN       LEU   8  11.706   7.862   3.055
   41    HA   LEU   8           HA       LEU   8   8.957   7.197   3.093
   42    HB2  LEU   8           HB2      LEU   8  10.381   9.814   3.501
   43    HB3  LEU   8           HB3      LEU   8   8.659   9.597   3.734
   44    HG   LEU   8           HG       LEU   8  10.823   8.168   5.279
   45   HD11  LEU   8          HD11      LEU   8   8.960  10.390   6.108
   46   HD12  LEU   8          HD12      LEU   8  10.101   9.548   7.154
   47   HD13  LEU   8          HD13      LEU   8  10.693  10.542   5.825
   48   HD21  LEU   8          HD21      LEU   8   7.823   8.145   5.597
   49   HD22  LEU   8          HD22      LEU   8   8.826   6.806   5.040
   50   HD23  LEU   8          HD23      LEU   8   8.980   7.395   6.696
   51    H    SER   9           HN       SER   9  10.704   8.006   0.459
   52    HA   SER   9           HA       SER   9   8.913   9.890  -0.760
   53    HB2  SER   9           HB2      SER   9  11.368   9.947  -1.185
   54    HB3  SER   9           HB3      SER   9  11.245   8.371  -1.964
   55    HG   SER   9           HG       SER   9  11.053   9.696  -3.642
   56    H    HIS  10           HN       HIS  10   9.502   6.443  -0.714
   57    HA   HIS  10           HA       HIS  10   7.602   6.038  -2.879
   58    HB2  HIS  10           HB2      HIS  10   9.346   4.142  -1.326
   59    HB3  HIS  10           HB3      HIS  10   8.078   3.569  -2.401
   60    HD1  HIS  10           HD1      HIS  10   8.520   3.669  -4.912
   61    HD2  HIS  10           HD2      HIS  10  11.546   5.374  -2.630
   62    HE1  HIS  10           HE1      HIS  10  10.429   4.052  -6.498
   63    HE2  HIS  10           HE2      HIS  10  12.316   4.885  -5.053
   64    H    ASP  11           HN       ASP  11   7.584   6.441   0.401
   65    HA   ASP  11           HA       ASP  11   5.159   4.900   0.894
   66    HB2  ASP  11           HB2      ASP  11   6.975   5.029   2.621
   67    HB3  ASP  11           HB3      ASP  11   6.689   6.761   2.740
   68    H    GLY  12           HN       GLY  12   6.357   8.195   0.791
   69    HA2  GLY  12           HA1      GLY  12   3.810   9.467   0.965
   70    HA3  GLY  12           HA2      GLY  12   5.321  10.213   0.451
   71    H    TYR  13           HN       TYR  13   5.659   8.003  -1.575
   72    HA   TYR  13           HA       TYR  13   4.335   9.044  -3.822
   73    HB2  TYR  13           HB2      TYR  13   6.300   7.507  -3.894
   74    HB3  TYR  13           HB3      TYR  13   5.254   6.188  -3.389
   75    HD1  TYR  13           HD1      TYR  13   5.851   8.624  -6.135
   76    HD2  TYR  13           HD2      TYR  13   3.998   4.975  -4.968
   77    HE1  TYR  13           HE1      TYR  13   5.296   8.157  -8.487
   78    HE2  TYR  13           HE2      TYR  13   3.443   4.498  -7.316
   79    HH   TYR  13           HH       TYR  13   4.790   6.235  -9.917
   80    H    CYS  14           HN       CYS  14   3.328   6.864  -1.343
   81    HA   CYS  14           HA       CYS  14   0.956   5.955  -2.676
   82    HB2  CYS  14           HB2      CYS  14   1.850   5.776   0.219
   83    HB3  CYS  14           HB3      CYS  14   0.437   4.957  -0.460
   84    H    LEU  15           HN       LEU  15  -1.179   6.324  -0.986
   85    HA   LEU  15           HA       LEU  15  -1.437   9.218  -1.429
   86    HB2  LEU  15           HB2      LEU  15  -3.593   7.180  -1.874
   87    HB3  LEU  15           HB3      LEU  15  -3.650   8.885  -2.277
   88    HG   LEU  15           HG       LEU  15  -1.925   6.781  -3.566
   89   HD11  LEU  15          HD11      LEU  15  -4.256   6.709  -4.255
   90   HD12  LEU  15          HD12      LEU  15  -4.232   8.437  -4.601
   91   HD13  LEU  15          HD13      LEU  15  -3.255   7.331  -5.566
   92   HD21  LEU  15          HD21      LEU  15  -1.176   8.558  -5.078
   93   HD22  LEU  15          HD22      LEU  15  -2.079   9.747  -4.137
   94   HD23  LEU  15          HD23      LEU  15  -0.712   8.899  -3.411
   95    H    HIS  16           HN       HIS  16  -3.360   6.639   0.193
   96    HA   HIS  16           HA       HIS  16  -4.261   8.848   1.935
   97    HB2  HIS  16           HB2      HIS  16  -5.750   6.822   0.478
   98    HB3  HIS  16           HB3      HIS  16  -6.187   6.876   2.185
   99    HD1  HIS  16           HD1      HIS  16  -7.537   8.860   2.993
  100    HD2  HIS  16           HD2      HIS  16  -6.238   9.264  -0.938
  101    HE1  HIS  16           HE1      HIS  16  -8.731  10.881   2.089
  102    HE2  HIS  16           HE2      HIS  16  -7.726  11.246  -0.197
  103    H    ASP  17           HN       ASP  17  -1.991   7.194   2.345
  104    HA   ASP  17           HA       ASP  17  -1.922   6.975   5.030
  105    HB2  ASP  17           HB2      ASP  17  -3.739   5.173   4.627
  106    HB3  ASP  17           HB3      ASP  17  -2.416   4.174   4.040
  107    H    GLY  18           HN       GLY  18  -1.184   4.868   2.281
  108    HA2  GLY  18           HA1      GLY  18   0.754   3.958   1.514
  109    HA3  GLY  18           HA2      GLY  18   1.507   5.451   2.047
  110    H    VAL  19           HN       VAL  19   1.956   2.370   2.063
  111    HA   VAL  19           HA       VAL  19   3.748   2.497   4.347
  112    HB   VAL  19           HB       VAL  19   1.692   0.278   4.073
  113   HG11  VAL  19          HG11      VAL  19   2.893  -0.877   5.884
  114   HG12  VAL  19          HG12      VAL  19   3.878  -0.729   4.428
  115   HG13  VAL  19          HG13      VAL  19   4.170   0.340   5.800
  116   HG21  VAL  19          HG21      VAL  19   0.961   2.203   5.395
  117   HG22  VAL  19          HG22      VAL  19   1.184   0.779   6.409
  118   HG23  VAL  19          HG23      VAL  19   2.399   2.057   6.406
  119    H    CYS  20           HN       CYS  20   5.697   1.839   3.549
  120    HA   CYS  20           HA       CYS  20   5.595   0.461   0.953
  121    HB2  CYS  20           HB2      CYS  20   6.447   2.762   0.856
  122    HB3  CYS  20           HB3      CYS  20   7.694   2.352   2.032
  123    H    MET  21           HN       MET  21   6.073  -1.635   1.183
  124    HA   MET  21           HA       MET  21   8.663  -2.390   2.132
  125    HB2  MET  21           HB2      MET  21   7.905  -3.877   3.940
  126    HB3  MET  21           HB3      MET  21   7.563  -2.197   4.292
  127    HG2  MET  21           HG2      MET  21   5.245  -2.496   3.761
  128    HG3  MET  21           HG3      MET  21   5.543  -4.142   3.206
  129    HE1  MET  21           HE1      MET  21   6.131  -2.894   7.608
  130    HE2  MET  21           HE2      MET  21   7.233  -2.484   6.294
  131    HE3  MET  21           HE3      MET  21   5.631  -1.752   6.358
  132    H    TYR  22           HN       TYR  22   9.295  -4.056   0.725
  133    HA   TYR  22           HA       TYR  22   7.511  -6.280   0.679
  134    HB2  TYR  22           HB2      TYR  22   7.302  -4.771  -1.471
  135    HB3  TYR  22           HB3      TYR  22   8.746  -5.665  -1.921
  136    HD1  TYR  22           HD1      TYR  22   5.824  -6.947  -0.016
  137    HD2  TYR  22           HD2      TYR  22   7.971  -6.994  -3.687
  138    HE1  TYR  22           HE1      TYR  22   4.445  -8.832  -0.796
  139    HE2  TYR  22           HE2      TYR  22   6.602  -8.873  -4.474
  140    HH   TYR  22           HH       TYR  22   5.274 -10.680  -3.543
  141    H    ILE  23           HN       ILE  23  10.460  -5.279  -0.803
  142    HA   ILE  23           HA       ILE  23  11.866  -7.411   0.579
  143    HB   ILE  23           HB       ILE  23  12.252  -6.919  -2.359
  144   HG12  ILE  23          HG12      ILE  23  10.014  -7.904  -1.349
  145   HG13  ILE  23          HG13      ILE  23  10.710  -8.560  -2.852
  146   HG21  ILE  23          HG21      ILE  23  13.505  -9.034  -2.274
  147   HG22  ILE  23          HG22      ILE  23  14.210  -7.812  -1.216
  148   HG23  ILE  23          HG23      ILE  23  13.235  -9.113  -0.532
  149   HD11  ILE  23          HD11      ILE  23   9.975 -10.344  -1.371
  150   HD12  ILE  23          HD12      ILE  23  11.731 -10.378  -1.533
  151   HD13  ILE  23          HD13      ILE  23  10.993  -9.714  -0.077
  152    H    GLU  24           HN       GLU  24  11.944  -4.636  -1.381
  153    HA   GLU  24           HA       GLU  24  12.765  -2.581  -1.035
  154    HB2  GLU  24           HB2      GLU  24  13.087  -3.939   1.565
  155    HB3  GLU  24           HB3      GLU  24  13.529  -2.232   1.396
  156    HG2  GLU  24           HG2      GLU  24  11.196  -1.856   0.544
  157    HG3  GLU  24           HG3      GLU  24  10.837  -3.543   0.959
  158    H    ALA  25           HN       ALA  25  15.092  -5.018   0.131
  159    HA   ALA  25           HA       ALA  25  17.370  -3.395  -0.609
  160    HB1  ALA  25           HB1      ALA  25  17.178  -6.307   0.192
  161    HB2  ALA  25           HB2      ALA  25  18.678  -5.406  -0.032
  162    HB3  ALA  25           HB3      ALA  25  17.567  -4.958   1.262
  163    H    LEU  26           HN       LEU  26  15.092  -5.263  -2.045
  164    HA   LEU  26           HA       LEU  26  16.669  -5.729  -4.471
  165    HB2  LEU  26           HB2      LEU  26  14.842  -7.348  -3.091
  166    HB3  LEU  26           HB3      LEU  26  13.973  -6.753  -4.487
  167    HG   LEU  26           HG       LEU  26  16.578  -8.266  -4.551
  168   HD11  LEU  26          HD11      LEU  26  13.778  -9.114  -5.271
  169   HD12  LEU  26          HD12      LEU  26  15.237 -10.067  -5.542
  170   HD13  LEU  26          HD13      LEU  26  14.727  -9.683  -3.898
  171   HD21  LEU  26          HD21      LEU  26  14.814  -7.317  -6.808
  172   HD22  LEU  26          HD22      LEU  26  16.417  -6.698  -6.404
  173   HD23  LEU  26          HD23      LEU  26  16.229  -8.358  -6.973
  174    H    ASP  27           HN       ASP  27  15.145  -3.537  -2.993
  175    HA   ASP  27           HA       ASP  27  13.861  -1.756  -3.318
  176    HB2  ASP  27           HB2      ASP  27  14.302  -0.446  -5.267
  177    HB3  ASP  27           HB3      ASP  27  15.769  -1.253  -4.727
  178    H    LYS  28           HN       LYS  28  12.619  -4.127  -3.403
  179    HA   LYS  28           HA       LYS  28  10.327  -3.700  -5.184
  180    HB2  LYS  28           HB2      LYS  28  10.553  -5.802  -3.045
  181    HB3  LYS  28           HB3      LYS  28   9.555  -5.823  -4.495
  182    HG2  LYS  28           HG2      LYS  28  12.562  -5.983  -4.540
  183    HG3  LYS  28           HG3      LYS  28  11.486  -7.388  -4.573
  184    HD2  LYS  28           HD2      LYS  28  11.616  -5.174  -6.621
  185    HD3  LYS  28           HD3      LYS  28  12.173  -6.835  -6.831
  186    HE2  LYS  28           HE2      LYS  28   9.839  -7.607  -6.472
  187    HE3  LYS  28           HE3      LYS  28   9.326  -5.922  -6.401
  188    HZ1  LYS  28           HZ1      LYS  28  10.504  -7.350  -8.718
  189    HZ2  LYS  28           HZ2      LYS  28  10.268  -5.675  -8.682
  190    HZ3  LYS  28           HZ3      LYS  28   8.933  -6.722  -8.589
  191    H    TYR  29           HN       TYR  29   8.351  -3.119  -4.366
  192    HA   TYR  29           HA       TYR  29   8.085  -2.705  -1.520
  193    HB2  TYR  29           HB2      TYR  29   7.415  -0.333  -1.780
  194    HB3  TYR  29           HB3      TYR  29   9.110  -0.620  -2.148
  195    HD1  TYR  29           HD2      TYR  29   9.857  -0.605  -4.542
  196    HD2  TYR  29           HD1      TYR  29   5.940   0.584  -3.380
  197    HE1  TYR  29           HE2      TYR  29   9.579   0.563  -6.687
  198    HE2  TYR  29           HE1      TYR  29   5.654   1.756  -5.519
  199    HH   TYR  29           HH       TYR  29   7.835   1.374  -8.137
  200    H    ALA  30           HN       ALA  30   6.223  -3.501  -0.991
  201    HA   ALA  30           HA       ALA  30   3.914  -3.051  -2.744
  202    HB1  ALA  30           HB1      ALA  30   4.193  -4.855  -0.330
  203    HB2  ALA  30           HB2      ALA  30   2.745  -4.679  -1.321
  204    HB3  ALA  30           HB3      ALA  30   4.208  -5.377  -2.016
  205    H    CYS  31           HN       CYS  31   2.265  -1.740  -2.006
  206    HA   CYS  31           HA       CYS  31   2.963  -0.241   0.404
  207    HB2  CYS  31           HB2      CYS  31   3.294   1.187  -1.503
  208    HB3  CYS  31           HB3      CYS  31   1.710   0.763  -2.149
  209    H    ASN  32           HN       ASN  32   1.494   0.008   1.891
  210    HA   ASN  32           HA       ASN  32  -1.156  -1.119   1.332
  211    HB2  ASN  32           HB2      ASN  32   0.406  -2.443   2.799
  212    HB3  ASN  32           HB3      ASN  32   0.298  -1.136   3.974
  213   HD21  ASN  32          HD21      ASN  32  -1.389  -3.738   2.430
  214   HD22  ASN  32          HD22      ASN  32  -2.729  -3.792   3.529
  215    H    CYS  33           HN       CYS  33  -2.345   0.585   1.012
  216    HA   CYS  33           HA       CYS  33  -1.844   3.026   2.372
  217    HB2  CYS  33           HB2      CYS  33  -2.252   2.777  -0.041
  218    HB3  CYS  33           HB3      CYS  33  -3.882   2.238   0.302
  219    H    VAL  34           HN       VAL  34  -5.178   2.245   1.649
  220    HA   VAL  34           HA       VAL  34  -5.739   2.146   4.519
  221    HB   VAL  34           HB       VAL  34  -5.794   4.538   3.710
  222   HG11  VAL  34          HG11      VAL  34  -7.706   5.268   2.376
  223   HG12  VAL  34          HG12      VAL  34  -6.677   4.149   1.480
  224   HG13  VAL  34          HG13      VAL  34  -8.202   3.587   2.166
  225   HG21  VAL  34          HG21      VAL  34  -6.995   3.876   5.714
  226   HG22  VAL  34          HG22      VAL  34  -7.922   5.081   4.820
  227   HG23  VAL  34          HG23      VAL  34  -8.382   3.380   4.743
  228    H    VAL  35           HN       VAL  35  -7.927   1.391   4.959
  229    HA   VAL  35           HA       VAL  35  -8.665  -0.646   3.120
  230    HB   VAL  35           HB       VAL  35 -10.431  -1.254   4.668
  231   HG11  VAL  35          HG11      VAL  35  -9.043  -1.735   6.632
  232   HG12  VAL  35          HG12      VAL  35  -8.170  -2.022   5.127
  233   HG13  VAL  35          HG13      VAL  35  -7.844  -0.570   6.073
  234   HG21  VAL  35          HG21      VAL  35  -9.636   1.210   6.246
  235   HG22  VAL  35          HG22      VAL  35 -11.155   0.989   5.381
  236   HG23  VAL  35          HG23      VAL  35 -10.778  -0.027   6.771
  237    H    GLY  36           HN       GLY  36  -9.012   0.605   1.280
  238    HA2  GLY  36           HA1      GLY  36 -11.533   0.981   0.390
  239    HA3  GLY  36           HA2      GLY  36 -11.186   2.505   1.203
  240    H    TYR  37           HN       TYR  37  -8.266   1.981   0.509
  241    HA   TYR  37           HA       TYR  37  -8.364   2.422  -2.380
  242    HB2  TYR  37           HB2      TYR  37  -6.963   4.251  -0.419
  243    HB3  TYR  37           HB3      TYR  37  -6.736   4.300  -2.162
  244    HD1  TYR  37           HD1      TYR  37  -8.811   4.777  -3.602
  245    HD2  TYR  37           HD2      TYR  37  -8.662   5.493   0.589
  246    HE1  TYR  37           HE1      TYR  37 -10.710   6.325  -3.802
  247    HE2  TYR  37           HE2      TYR  37 -10.555   7.045   0.398
  248    HH   TYR  37           HH       TYR  37 -11.654   8.404  -1.240
  249    H    ILE  38           HN       ILE  38  -7.320   0.502  -2.839
  250    HA   ILE  38           HA       ILE  38  -4.469   0.881  -2.616
  251    HB   ILE  38           HB       ILE  38  -5.452  -0.832  -0.786
  252   HG12  ILE  38          HG12      ILE  38  -2.861  -0.866  -2.315
  253   HG13  ILE  38          HG13      ILE  38  -3.231  -0.036  -0.807
  254   HG21  ILE  38          HG21      ILE  38  -5.046  -3.133  -1.477
  255   HG22  ILE  38          HG22      ILE  38  -6.350  -2.412  -2.420
  256   HG23  ILE  38          HG23      ILE  38  -4.746  -2.593  -3.128
  257   HD11  ILE  38          HD11      ILE  38  -1.803  -1.978  -0.455
  258   HD12  ILE  38          HD12      ILE  38  -3.362  -2.166   0.348
  259   HD13  ILE  38          HD13      ILE  38  -3.039  -3.018  -1.162
  260    H    GLY  39           HN       GLY  39  -3.568   0.580  -4.502
  261    HA2  GLY  39           HA1      GLY  39  -4.437  -1.398  -6.386
  262    HA3  GLY  39           HA2      GLY  39  -4.922   0.234  -6.850
  263    H    GLU  40           HN       GLU  40  -2.478  -2.037  -6.960
  264    HA   GLU  40           HA       GLU  40  -0.303  -2.036  -7.585
  265    HB2  GLU  40           HB2      GLU  40  -0.682  -0.362  -9.287
  266    HB3  GLU  40           HB3      GLU  40  -0.778   0.910  -8.072
  267    HG2  GLU  40           HG2      GLU  40   1.613   0.423  -7.506
  268    HG3  GLU  40           HG3      GLU  40   1.657  -0.651  -8.908
  269    H    ARG  41           HN       ARG  41  -1.170   0.805  -5.802
  270    HA   ARG  41           HA       ARG  41   0.316  -0.119  -3.525
  271    HB2  ARG  41           HB2      ARG  41   1.293   2.351  -3.443
  272    HB3  ARG  41           HB3      ARG  41   2.097   1.014  -4.259
  273    HG2  ARG  41           HG2      ARG  41   2.225   2.843  -5.723
  274    HG3  ARG  41           HG3      ARG  41   1.009   1.750  -6.373
  275    HD2  ARG  41           HD2      ARG  41  -0.752   3.194  -5.406
  276    HD3  ARG  41           HD3      ARG  41   0.508   4.314  -4.877
  277    HE   ARG  41           HE       ARG  41   0.854   3.825  -7.614
  278   HH11  ARG  41          HH12      ARG  41  -1.512   5.375  -5.528
  279   HH12  ARG  41          HH11      ARG  41  -1.944   6.566  -6.705
  280   HH21  ARG  41          HH22      ARG  41   0.292   5.401  -9.141
  281   HH22  ARG  41          HH21      ARG  41  -0.929   6.586  -8.760
  282    H    CYS  42           HN       CYS  42  -2.143   1.952  -4.859
  283    HA   CYS  42           HA       CYS  42  -3.763   1.968  -2.659
  284    HB2  CYS  42           HB2      CYS  42  -2.148   3.185  -1.352
  285    HB3  CYS  42           HB3      CYS  42  -1.880   4.335  -2.655
  286    H    GLN  43           HN       GLN  43  -5.430   1.964  -4.296
  287    HA   GLN  43           HA       GLN  43  -6.815   4.302  -4.141
  288    HB2  GLN  43           HB2      GLN  43  -6.717   5.429  -6.260
  289    HB3  GLN  43           HB3      GLN  43  -5.100   5.353  -5.565
  290    HG2  GLN  43           HG2      GLN  43  -4.485   3.576  -7.064
  291    HG3  GLN  43           HG3      GLN  43  -6.134   3.474  -7.682
  292   HE21  GLN  43          HE21      GLN  43  -6.919   5.125  -9.010
  293   HE22  GLN  43          HE22      GLN  43  -5.845   6.201  -9.843
  294    H    TYR  44           HN       TYR  44  -6.979   1.297  -4.486
  295    HA   TYR  44           HA       TYR  44  -9.168   1.334  -6.398
  296    HB2  TYR  44           HB2      TYR  44  -6.859   0.617  -7.406
  297    HB3  TYR  44           HB3      TYR  44  -7.161  -0.889  -6.551
  298    HD1  TYR  44           HD2      TYR  44  -8.754   1.442  -8.980
  299    HD2  TYR  44           HD1      TYR  44  -8.366  -2.570  -7.620
  300    HE1  TYR  44           HE2      TYR  44 -10.096   0.674 -10.890
  301    HE2  TYR  44           HE1      TYR  44  -9.700  -3.351  -9.531
  302    HH   TYR  44           HH       TYR  44 -10.421  -1.366 -12.194
  303    H    ARG  45           HN       ARG  45 -10.358   1.278  -4.506
  304    HA   ARG  45           HA       ARG  45 -12.074   0.001  -3.686
  305    HB2  ARG  45           HB2      ARG  45 -10.346  -2.134  -4.841
  306    HB3  ARG  45           HB3      ARG  45 -11.727  -2.570  -3.825
  307    HG2  ARG  45           HG2      ARG  45 -12.281  -2.670  -6.212
  308    HG3  ARG  45           HG3      ARG  45 -13.248  -1.466  -5.366
  309    HD2  ARG  45           HD2      ARG  45 -10.747  -0.440  -6.532
  310    HD3  ARG  45           HD3      ARG  45 -11.930  -1.040  -7.710
  311    HE   ARG  45           HE       ARG  45 -12.584   1.009  -5.671
  312   HH11  ARG  45          HH12      ARG  45 -12.824  -0.291  -8.914
  313   HH12  ARG  45          HH11      ARG  45 -13.736   1.057  -9.526
  314   HH21  ARG  45          HH22      ARG  45 -13.785   2.790  -6.470
  315   HH22  ARG  45          HH21      ARG  45 -14.273   2.812  -8.141
  316    H    ASP  46           HN       ASP  46 -12.449  -1.723  -2.057
  317    HA   ASP  46           HA       ASP  46 -10.726  -1.160   0.234
  318    HB2  ASP  46           HB2      ASP  46 -13.456  -2.474   0.144
  319    HB3  ASP  46           HB3      ASP  46 -12.599  -1.954   1.587
  320    H    LEU  47           HN       LEU  47  -9.694  -2.917  -1.649
  321    HA   LEU  47           HA       LEU  47 -10.343  -5.593  -1.508
  322    HB2  LEU  47           HB2      LEU  47  -7.613  -4.376  -1.911
  323    HB3  LEU  47           HB3      LEU  47  -8.047  -6.030  -2.298
  324    HG   LEU  47           HG       LEU  47  -9.193  -3.557  -3.596
  325   HD11  LEU  47          HD11      LEU  47  -8.002  -4.371  -5.590
  326   HD12  LEU  47          HD12      LEU  47  -6.904  -3.954  -4.275
  327   HD13  LEU  47          HD13      LEU  47  -7.270  -5.645  -4.614
  328   HD21  LEU  47          HD21      LEU  47 -10.838  -5.354  -3.485
  329   HD22  LEU  47          HD22      LEU  47 -10.272  -5.124  -5.139
  330   HD23  LEU  47          HD23      LEU  47  -9.673  -6.479  -4.182
  331    H    LYS  48           HN       LYS  48  -8.950  -3.771   0.987
  332    HA   LYS  48           HA       LYS  48  -7.706  -6.098   2.207
  333    HB2  LYS  48           HB2      LYS  48  -6.941  -4.452   3.942
  334    HB3  LYS  48           HB3      LYS  48  -6.276  -4.278   2.328
  335    HG2  LYS  48           HG2      LYS  48  -8.227  -2.558   2.045
  336    HG3  LYS  48           HG3      LYS  48  -8.178  -2.545   3.799
  337    HD2  LYS  48           HD2      LYS  48  -6.720  -0.813   3.137
  338    HD3  LYS  48           HD3      LYS  48  -5.710  -2.158   3.651
  339    HE2  LYS  48           HE2      LYS  48  -6.275  -1.280   0.796
  340    HE3  LYS  48           HE3      LYS  48  -4.759  -1.168   1.689
  341    HZ1  LYS  48           HZ1      LYS  48  -6.080  -3.699   0.877
  342    HZ2  LYS  48           HZ2      LYS  48  -4.683  -3.607   1.822
  343    HZ3  LYS  48           HZ3      LYS  48  -4.664  -3.051   0.221
  344    H    TRP  49           HN       TRP  49 -10.021  -3.578   3.177
  345    HA   TRP  49           HA       TRP  49 -10.799  -5.336   5.380
  346    HB2  TRP  49           HB2      TRP  49 -10.329  -2.996   5.904
  347    HB3  TRP  49           HB3      TRP  49 -11.634  -2.491   4.835
  348    HD1  TRP  49           HD1      TRP  49 -11.275  -4.804   7.936
  349    HE1  TRP  49           HE1      TRP  49 -13.352  -4.469   9.415
  350    HE3  TRP  49           HE3      TRP  49 -13.788  -1.420   5.042
  351    HZ2  TRP  49           HZ2      TRP  49 -15.732  -2.961   9.367
  352    HZ3  TRP  49           HZ3      TRP  49 -15.959  -0.574   5.837
  353    HH2  TRP  49           HH2      TRP  49 -16.908  -1.329   7.953
  354    H    TRP  50           HN       TRP  50 -12.449  -3.617   2.708
  355    HA   TRP  50           HA       TRP  50 -14.925  -4.847   3.658
  356    HB2  TRP  50           HB2      TRP  50 -14.969  -2.439   3.372
  357    HB3  TRP  50           HB3      TRP  50 -14.500  -2.602   1.685
  358    HD1  TRP  50           HD1      TRP  50 -16.382  -3.343  -0.049
  359    HE1  TRP  50           HE1      TRP  50 -18.949  -3.401   0.097
  360    HE3  TRP  50           HE3      TRP  50 -16.914  -2.862   5.012
  361    HZ2  TRP  50           HZ2      TRP  50 -20.934  -3.249   2.084
  362    HZ3  TRP  50           HZ3      TRP  50 -19.188  -2.825   5.954
  363    HH2  TRP  50           HH2      TRP  50 -21.156  -3.014   4.517
  364    H    GLU  51           HN       GLU  51 -13.033  -4.611   0.650
  365    HA   GLU  51           HA       GLU  51 -15.093  -5.860  -0.886
  366    HB2  GLU  51           HB2      GLU  51 -12.243  -5.103  -1.505
  367    HB3  GLU  51           HB3      GLU  51 -13.266  -5.939  -2.670
  368    HG2  GLU  51           HG2      GLU  51 -13.837  -3.287  -1.390
  369    HG3  GLU  51           HG3      GLU  51 -13.232  -3.533  -3.032
  370    H    LEU  52           HN       LEU  52 -12.005  -6.944   0.431
  371    HA   LEU  52           HA       LEU  52 -12.737  -9.679  -0.355
  372    HB2  LEU  52           HB2      LEU  52  -9.988  -8.641   0.271
  373    HB3  LEU  52           HB3      LEU  52 -10.400 -10.196  -0.438
  374    HG   LEU  52           HG       LEU  52 -10.761  -7.495  -1.737
  375   HD11  LEU  52          HD11      LEU  52  -8.415  -8.205  -1.580
  376   HD12  LEU  52          HD12      LEU  52  -8.826  -9.741  -2.338
  377   HD13  LEU  52          HD13      LEU  52  -8.983  -8.240  -3.249
  378   HD21  LEU  52          HD21      LEU  52 -11.270 -10.275  -2.816
  379   HD22  LEU  52          HD22      LEU  52 -12.495  -9.063  -2.440
  380   HD23  LEU  52          HD23      LEU  52 -11.348  -8.782  -3.750
  381    H    ARG  53           HN       ARG  53 -11.385  -7.673   2.152
  382    HA   ARG  53           HA       ARG  53 -11.067  -7.907   4.382
  383    HB2  ARG  53           HB2      ARG  53 -13.552  -8.850   4.043
  384    HB3  ARG  53           HB3      ARG  53 -12.785 -10.328   4.608
  385    HG2  ARG  53           HG2      ARG  53 -12.927  -7.687   6.054
  386    HG3  ARG  53           HG3      ARG  53 -13.755  -9.187   6.481
  387    HD2  ARG  53           HD2      ARG  53 -11.679 -10.252   7.014
  388    HD3  ARG  53           HD3      ARG  53 -10.759  -8.886   6.390
  389    HE   ARG  53           HE       ARG  53 -12.435  -8.797   8.825
  390   HH11  ARG  53          HH12      ARG  53  -9.695  -7.719   6.941
  391   HH12  ARG  53          HH11      ARG  53  -8.998  -6.788   8.234
  392   HH21  ARG  53          HH22      ARG  53 -11.504  -7.605  10.555
  393   HH22  ARG  53          HH21      ARG  53 -10.027  -6.725  10.286
  Start of MODEL    9
    1    H1   ASN   1           H1       ASN   1  14.376  -8.740   1.801
    2    H2   ASN   1           H2       ASN   1  15.830  -7.943   2.139
    3    H3   ASN   1           H3       ASN   1  14.627  -7.164   1.236
    4    HA   ASN   1           HA       ASN   1  14.310  -8.027   4.048
    5    HB2  ASN   1           HB2      ASN   1  14.880  -5.264   2.934
    6    HB3  ASN   1           HB3      ASN   1  14.514  -5.628   4.618
    7   HD21  ASN   1          HD21      ASN   1  16.480  -4.859   5.380
    8   HD22  ASN   1          HD22      ASN   1  17.972  -5.696   5.090
    9    H    SER   2           HN       SER   2  12.494  -8.868   2.442
   10    HA   SER   2           HA       SER   2  10.533  -7.351   1.329
   11    HB2  SER   2           HB2      SER   2   9.877  -9.836   2.881
   12    HB3  SER   2           HB3      SER   2   9.227  -9.292   1.335
   13    HG   SER   2           HG       SER   2  10.655 -10.720   0.646
   14    H    ASP   3           HN       ASP   3   9.037  -6.030   1.978
   15    HA   ASP   3           HA       ASP   3   7.900  -4.608   3.389
   16    HB2  ASP   3           HB2      ASP   3   6.399  -6.474   2.849
   17    HB3  ASP   3           HB3      ASP   3   6.896  -7.297   4.321
   18    H    SER   4           HN       SER   4   9.980  -4.099   4.528
   19    HA   SER   4           HA       SER   4   9.578  -4.424   7.383
   20    HB2  SER   4           HB2      SER   4  12.147  -5.276   6.029
   21    HB3  SER   4           HB3      SER   4  11.945  -5.095   7.773
   22    HG   SER   4           HG       SER   4  10.255  -6.760   6.230
   23    H    GLU   5           HN       GLU   5  12.197  -3.275   5.233
   24    HA   GLU   5           HA       GLU   5  12.261  -0.799   6.812
   25    HB2  GLU   5           HB2      GLU   5  14.333  -2.023   4.983
   26    HB3  GLU   5           HB3      GLU   5  14.512  -0.480   5.807
   27    HG2  GLU   5           HG2      GLU   5  14.414  -1.598   7.957
   28    HG3  GLU   5           HG3      GLU   5  14.185  -3.153   7.150
   29    H    CYS   6           HN       CYS   6  12.394   1.209   5.802
   30    HA   CYS   6           HA       CYS   6  12.651   1.798   3.135
   31    HB2  CYS   6           HB2      CYS   6  10.334   2.222   2.389
   32    HB3  CYS   6           HB3      CYS   6  10.630   0.514   2.679
   33    HA   PRO   7           HA       PRO   7  12.855   5.688   5.323
   34    HB2  PRO   7           HB2      PRO   7  12.989   6.739   2.549
   35    HB3  PRO   7           HB3      PRO   7  14.093   6.994   3.904
   36    HG2  PRO   7           HG2      PRO   7  14.765   5.408   1.876
   37    HG3  PRO   7           HG3      PRO   7  15.208   4.994   3.544
   38    HD2  PRO   7           HD2      PRO   7  13.015   3.890   1.834
   39    HD3  PRO   7           HD3      PRO   7  14.087   3.049   2.974
   40    H    LEU   8           HN       LEU   8  11.533   7.450   5.667
   41    HA   LEU   8           HA       LEU   8   8.785   7.052   5.264
   42    HB2  LEU   8           HB2      LEU   8  10.301   9.474   6.207
   43    HB3  LEU   8           HB3      LEU   8   8.554   9.376   6.188
   44    HG   LEU   8           HG       LEU   8   8.844   7.299   7.679
   45   HD11  LEU   8          HD11      LEU   8  11.233   6.983   7.375
   46   HD12  LEU   8          HD12      LEU   8  11.548   8.579   8.057
   47   HD13  LEU   8          HD13      LEU   8  10.861   7.307   9.068
   48   HD21  LEU   8          HD21      LEU   8   8.945   8.693   9.682
   49   HD22  LEU   8          HD22      LEU   8   9.518  10.046   8.708
   50   HD23  LEU   8          HD23      LEU   8   7.901   9.395   8.446
   51    H    SER   9           HN       SER   9  10.878   8.045   3.016
   52    HA   SER   9           HA       SER   9   9.462  10.291   1.919
   53    HB2  SER   9           HB2      SER   9  11.280  10.076   0.145
   54    HB3  SER   9           HB3      SER   9  11.838  10.407   1.785
   55    HG   SER   9           HG       SER   9  13.095   8.753   1.178
   56    H    HIS  10           HN       HIS  10   9.688   6.869   1.489
   57    HA   HIS  10           HA       HIS  10   8.634   6.975  -1.214
   58    HB2  HIS  10           HB2      HIS  10   9.620   4.745   0.544
   59    HB3  HIS  10           HB3      HIS  10   8.762   4.417  -0.957
   60    HD1  HIS  10           HD1      HIS  10  11.679   6.717  -0.030
   61    HD2  HIS  10           HD2      HIS  10  10.514   3.986  -2.936
   62    HE1  HIS  10           HE1      HIS  10  13.598   6.593  -1.641
   63    HE2  HIS  10           HE2      HIS  10  12.763   5.119  -3.516
   64    H    ASP  11           HN       ASP  11   7.593   6.156   2.021
   65    HA   ASP  11           HA       ASP  11   5.007   5.243   1.079
   66    HB2  ASP  11           HB2      ASP  11   4.510   4.777   3.388
   67    HB3  ASP  11           HB3      ASP  11   6.155   4.232   3.069
   68    H    GLY  12           HN       GLY  12   6.506   8.040   2.505
   69    HA2  GLY  12           HA1      GLY  12   4.110   9.550   2.848
   70    HA3  GLY  12           HA2      GLY  12   5.750  10.185   2.849
   71    H    TYR  13           HN       TYR  13   6.351   9.001   0.213
   72    HA   TYR  13           HA       TYR  13   5.315  11.043  -1.493
   73    HB2  TYR  13           HB2      TYR  13   7.497  10.022  -1.925
   74    HB3  TYR  13           HB3      TYR  13   6.735   8.462  -2.185
   75    HD1  TYR  13           HD1      TYR  13   6.765  11.938  -3.502
   76    HD2  TYR  13           HD2      TYR  13   6.134   7.818  -4.332
   77    HE1  TYR  13           HE1      TYR  13   6.555  12.462  -5.892
   78    HE2  TYR  13           HE2      TYR  13   5.922   8.327  -6.729
   79    HH   TYR  13           HH       TYR  13   5.365  10.219  -8.170
   80    H    CYS  14           HN       CYS  14   4.170   7.980  -0.515
   81    HA   CYS  14           HA       CYS  14   2.708   7.345  -2.869
   82    HB2  CYS  14           HB2      CYS  14   3.476   5.614  -1.317
   83    HB3  CYS  14           HB3      CYS  14   2.413   6.238  -0.061
   84    H    LEU  15           HN       LEU  15   0.095   6.694  -1.954
   85    HA   LEU  15           HA       LEU  15  -0.775   9.421  -2.492
   86    HB2  LEU  15           HB2      LEU  15  -2.186   6.816  -3.029
   87    HB3  LEU  15           HB3      LEU  15  -2.696   8.402  -3.583
   88    HG   LEU  15           HG       LEU  15  -0.084   7.112  -4.373
   89   HD11  LEU  15          HD11      LEU  15  -1.152   6.648  -6.521
   90   HD12  LEU  15          HD12      LEU  15  -1.944   5.783  -5.203
   91   HD13  LEU  15          HD13      LEU  15  -2.690   7.230  -5.883
   92   HD21  LEU  15          HD21      LEU  15  -0.107   8.828  -6.137
   93   HD22  LEU  15          HD22      LEU  15  -1.580   9.507  -5.443
   94   HD23  LEU  15          HD23      LEU  15  -0.075   9.536  -4.522
   95    H    HIS  16           HN       HIS  16  -2.745   6.744  -1.221
   96    HA   HIS  16           HA       HIS  16  -4.101   8.839   0.322
   97    HB2  HIS  16           HB2      HIS  16  -5.255   7.262  -1.425
   98    HB3  HIS  16           HB3      HIS  16  -5.265   6.110  -0.096
   99    HD1  HIS  16           HD1      HIS  16  -7.572   8.108  -1.615
  100    HD2  HIS  16           HD2      HIS  16  -6.321   7.903   2.351
  101    HE1  HIS  16           HE1      HIS  16  -9.445   9.090  -0.254
  102    HE2  HIS  16           HE2      HIS  16  -8.735   8.810   2.145
  103    H    ASP  17           HN       ASP  17  -1.696   7.530   1.154
  104    HA   ASP  17           HA       ASP  17  -1.830   7.616   3.812
  105    HB2  ASP  17           HB2      ASP  17  -3.513   5.677   3.586
  106    HB3  ASP  17           HB3      ASP  17  -2.118   4.681   3.187
  107    H    GLY  18           HN       GLY  18  -0.758   5.359   1.352
  108    HA2  GLY  18           HA1      GLY  18   1.294   4.602   0.745
  109    HA3  GLY  18           HA2      GLY  18   1.933   6.084   1.432
  110    H    VAL  19           HN       VAL  19   1.975   2.807   1.541
  111    HA   VAL  19           HA       VAL  19   3.776   2.901   3.859
  112    HB   VAL  19           HB       VAL  19   1.727   0.723   3.343
  113   HG11  VAL  19          HG11      VAL  19   2.743  -0.502   5.207
  114   HG12  VAL  19          HG12      VAL  19   3.887  -0.299   3.881
  115   HG13  VAL  19          HG13      VAL  19   4.013   0.716   5.319
  116   HG21  VAL  19          HG21      VAL  19   1.029   1.201   5.656
  117   HG22  VAL  19          HG22      VAL  19   2.222   2.497   5.736
  118   HG23  VAL  19          HG23      VAL  19   0.867   2.613   4.612
  119    H    CYS  20           HN       CYS  20   5.689   1.569   3.486
  120    HA   CYS  20           HA       CYS  20   5.958   1.355   0.579
  121    HB2  CYS  20           HB2      CYS  20   8.513   1.568   1.429
  122    HB3  CYS  20           HB3      CYS  20   7.487   2.944   1.032
  123    H    MET  21           HN       MET  21   6.166  -0.499  -0.305
  124    HA   MET  21           HA       MET  21   7.814  -2.599   0.946
  125    HB2  MET  21           HB2      MET  21   5.241  -2.962  -0.601
  126    HB3  MET  21           HB3      MET  21   6.279  -4.274  -0.065
  127    HG2  MET  21           HG2      MET  21   5.810  -3.766   2.232
  128    HG3  MET  21           HG3      MET  21   4.901  -2.329   1.763
  129    HE1  MET  21           HE1      MET  21   1.817  -3.918  -0.087
  130    HE2  MET  21           HE2      MET  21   2.572  -2.418   0.450
  131    HE3  MET  21           HE3      MET  21   3.337  -3.388  -0.806
  132    H    TYR  22           HN       TYR  22   9.350  -3.400  -0.529
  133    HA   TYR  22           HA       TYR  22   9.216  -3.162  -3.247
  134    HB2  TYR  22           HB2      TYR  22   9.616  -1.078  -3.601
  135    HB3  TYR  22           HB3      TYR  22   9.581  -0.756  -1.903
  136    HD1  TYR  22           HD2      TYR  22  11.918  -1.885  -4.556
  137    HD2  TYR  22           HD1      TYR  22  11.437   0.330  -0.953
  138    HE1  TYR  22           HE2      TYR  22  14.269  -1.197  -4.676
  139    HE2  TYR  22           HE1      TYR  22  13.797   1.018  -1.060
  140    HH   TYR  22           HH       TYR  22  15.743   0.421  -3.879
  141    H    ILE  23           HN       ILE  23  11.607  -2.846  -0.713
  142    HA   ILE  23           HA       ILE  23  13.597  -4.311  -2.175
  143    HB   ILE  23           HB       ILE  23  14.822  -4.384  -0.015
  144   HG12  ILE  23          HG12      ILE  23  12.313  -3.001   0.850
  145   HG13  ILE  23          HG13      ILE  23  13.089  -4.398   1.578
  146   HG21  ILE  23          HG21      ILE  23  15.265  -1.947   0.043
  147   HG22  ILE  23          HG22      ILE  23  15.265  -2.624  -1.587
  148   HG23  ILE  23          HG23      ILE  23  13.870  -1.709  -1.010
  149   HD11  ILE  23          HD11      ILE  23  14.138  -1.579   1.654
  150   HD12  ILE  23          HD12      ILE  23  13.374  -2.449   2.984
  151   HD13  ILE  23          HD13      ILE  23  14.932  -2.989   2.356
  152    H    GLU  24           HN       GLU  24  11.686  -5.945  -2.406
  153    HA   GLU  24           HA       GLU  24  11.245  -7.766  -0.214
  154    HB2  GLU  24           HB2      GLU  24  10.402  -7.724  -3.106
  155    HB3  GLU  24           HB3      GLU  24   9.762  -8.839  -1.887
  156    HG2  GLU  24           HG2      GLU  24   9.608  -5.994  -1.157
  157    HG3  GLU  24           HG3      GLU  24   8.620  -6.466  -2.546
  158    H    ALA  25           HN       ALA  25  13.834  -7.452  -2.072
  159    HA   ALA  25           HA       ALA  25  15.460  -8.758  -2.958
  160    HB1  ALA  25           HB1      ALA  25  14.064 -11.036  -1.557
  161    HB2  ALA  25           HB2      ALA  25  15.689 -11.075  -2.239
  162    HB3  ALA  25           HB3      ALA  25  15.332 -10.024  -0.868
  163    H    LEU  26           HN       LEU  26  12.395  -8.725  -3.850
  164    HA   LEU  26           HA       LEU  26  12.851 -10.433  -6.185
  165    HB2  LEU  26           HB2      LEU  26  10.240  -9.487  -4.997
  166    HB3  LEU  26           HB3      LEU  26  10.386 -10.384  -6.496
  167    HG   LEU  26           HG       LEU  26  11.153 -11.415  -3.763
  168   HD11  LEU  26          HD11      LEU  26   8.796 -12.061  -5.531
  169   HD12  LEU  26          HD12      LEU  26   9.200 -12.865  -4.014
  170   HD13  LEU  26          HD13      LEU  26   8.745 -11.161  -4.015
  171   HD21  LEU  26          HD21      LEU  26  12.523 -12.371  -5.554
  172   HD22  LEU  26          HD22      LEU  26  11.415 -13.570  -4.888
  173   HD23  LEU  26          HD23      LEU  26  11.062 -12.811  -6.439
  174    H    ASP  27           HN       ASP  27  12.846  -7.423  -4.966
  175    HA   ASP  27           HA       ASP  27  13.432  -5.450  -5.929
  176    HB2  ASP  27           HB2      ASP  27  14.536  -6.923  -7.710
  177    HB3  ASP  27           HB3      ASP  27  13.074  -6.686  -8.665
  178    H    LYS  28           HN       LYS  28  11.266  -5.403  -4.888
  179    HA   LYS  28           HA       LYS  28   9.123  -5.065  -6.884
  180    HB2  LYS  28           HB2      LYS  28   9.032  -5.731  -3.949
  181    HB3  LYS  28           HB3      LYS  28   7.599  -5.264  -4.860
  182    HG2  LYS  28           HG2      LYS  28   7.910  -7.149  -6.360
  183    HG3  LYS  28           HG3      LYS  28   9.390  -7.598  -5.512
  184    HD2  LYS  28           HD2      LYS  28   7.519  -9.001  -4.822
  185    HD3  LYS  28           HD3      LYS  28   8.107  -8.018  -3.480
  186    HE2  LYS  28           HE2      LYS  28   6.266  -6.410  -3.917
  187    HE3  LYS  28           HE3      LYS  28   5.653  -7.503  -5.161
  188    HZ1  LYS  28           HZ1      LYS  28   5.971  -8.164  -2.276
  189    HZ2  LYS  28           HZ2      LYS  28   5.370  -9.213  -3.473
  190    HZ3  LYS  28           HZ3      LYS  28   4.502  -7.814  -3.059
  191    H    TYR  29           HN       TYR  29   7.362  -3.519  -5.891
  192    HA   TYR  29           HA       TYR  29   8.310  -1.043  -4.919
  193    HB2  TYR  29           HB2      TYR  29   8.525  -1.545  -7.788
  194    HB3  TYR  29           HB3      TYR  29   7.511  -0.154  -7.429
  195    HD1  TYR  29           HD1      TYR  29   8.510   1.665  -5.898
  196    HD2  TYR  29           HD2      TYR  29  10.846  -1.337  -7.801
  197    HE1  TYR  29           HE1      TYR  29  10.516   3.062  -5.630
  198    HE2  TYR  29           HE2      TYR  29  12.858   0.049  -7.534
  199    HH   TYR  29           HH       TYR  29  13.469   2.365  -7.216
  200    H    ALA  30           HN       ALA  30   6.549  -0.826  -3.703
  201    HA   ALA  30           HA       ALA  30   4.049  -0.192  -4.942
  202    HB1  ALA  30           HB1      ALA  30   2.719  -1.916  -3.849
  203    HB2  ALA  30           HB2      ALA  30   3.911  -2.649  -4.921
  204    HB3  ALA  30           HB3      ALA  30   4.180  -2.641  -3.177
  205    H    CYS  31           HN       CYS  31   2.420   0.385  -3.237
  206    HA   CYS  31           HA       CYS  31   3.529   0.888  -0.630
  207    HB2  CYS  31           HB2      CYS  31   3.045   3.281  -0.648
  208    HB3  CYS  31           HB3      CYS  31   4.232   2.875  -1.880
  209    H    ASN  32           HN       ASN  32   1.993   0.708   0.894
  210    HA   ASN  32           HA       ASN  32  -0.611  -0.125  -0.140
  211    HB2  ASN  32           HB2      ASN  32   0.862  -1.750   1.118
  212    HB3  ASN  32           HB3      ASN  32   0.640  -0.744   2.546
  213   HD21  ASN  32          HD21      ASN  32  -0.062  -3.464   2.289
  214   HD22  ASN  32          HD22      ASN  32  -1.776  -3.598   2.484
  215    H    CYS  33           HN       CYS  33  -1.947   1.457  -0.053
  216    HA   CYS  33           HA       CYS  33  -1.682   3.653   1.729
  217    HB2  CYS  33           HB2      CYS  33  -3.507   2.880  -0.503
  218    HB3  CYS  33           HB3      CYS  33  -3.904   4.275   0.518
  219    H    VAL  34           HN       VAL  34  -4.893   2.508   1.057
  220    HA   VAL  34           HA       VAL  34  -5.321   2.369   3.960
  221    HB   VAL  34           HB       VAL  34  -5.926   4.612   3.046
  222   HG11  VAL  34          HG11      VAL  34  -7.951   3.079   1.426
  223   HG12  VAL  34          HG12      VAL  34  -7.888   4.833   1.590
  224   HG13  VAL  34          HG13      VAL  34  -6.564   3.971   0.802
  225   HG21  VAL  34          HG21      VAL  34  -8.275   2.979   4.006
  226   HG22  VAL  34          HG22      VAL  34  -7.077   3.783   5.023
  227   HG23  VAL  34          HG23      VAL  34  -8.172   4.739   4.023
  228    H    VAL  35           HN       VAL  35  -7.228   1.167   4.548
  229    HA   VAL  35           HA       VAL  35  -7.456  -1.227   3.058
  230    HB   VAL  35           HB       VAL  35  -9.208  -1.842   4.697
  231   HG11  VAL  35          HG11      VAL  35  -6.657  -0.686   5.826
  232   HG12  VAL  35          HG12      VAL  35  -7.704  -1.841   6.652
  233   HG13  VAL  35          HG13      VAL  35  -6.876  -2.308   5.165
  234   HG21  VAL  35          HG21      VAL  35  -8.687   0.915   5.818
  235   HG22  VAL  35          HG22      VAL  35 -10.184   0.365   5.062
  236   HG23  VAL  35          HG23      VAL  35  -9.652  -0.347   6.587
  237    H    GLY  36           HN       GLY  36  -8.278   1.047   1.500
  238    HA2  GLY  36           HA1      GLY  36 -10.937   0.158   0.692
  239    HA3  GLY  36           HA2      GLY  36 -10.793   1.834   1.215
  240    H    TYR  37           HN       TYR  37  -7.898   1.033  -0.003
  241    HA   TYR  37           HA       TYR  37  -8.446   1.404  -2.797
  242    HB2  TYR  37           HB2      TYR  37  -7.078   3.528  -1.134
  243    HB3  TYR  37           HB3      TYR  37  -6.858   3.400  -2.876
  244    HD1  TYR  37           HD1      TYR  37  -8.988   3.555  -4.328
  245    HD2  TYR  37           HD2      TYR  37  -8.842   4.768  -0.251
  246    HE1  TYR  37           HE1      TYR  37 -11.000   4.927  -4.670
  247    HE2  TYR  37           HE2      TYR  37 -10.853   6.139  -0.581
  248    HH   TYR  37           HH       TYR  37 -12.044   7.256  -2.444
  249    H    ILE  38           HN       ILE  38  -7.288  -0.476  -3.195
  250    HA   ILE  38           HA       ILE  38  -4.449   0.155  -3.300
  251    HB   ILE  38           HB       ILE  38  -5.372  -1.936  -1.723
  252   HG12  ILE  38          HG12      ILE  38  -2.648  -1.573  -2.960
  253   HG13  ILE  38          HG13      ILE  38  -3.264  -0.656  -1.589
  254   HG21  ILE  38          HG21      ILE  38  -4.493  -3.973  -2.736
  255   HG22  ILE  38          HG22      ILE  38  -5.827  -3.319  -3.687
  256   HG23  ILE  38          HG23      ILE  38  -4.163  -3.094  -4.231
  257   HD11  ILE  38          HD11      ILE  38  -2.809  -3.635  -1.657
  258   HD12  ILE  38          HD12      ILE  38  -1.760  -2.444  -0.888
  259   HD13  ILE  38          HD13      ILE  38  -3.390  -2.710  -0.274
  260    H    GLY  39           HN       GLY  39  -3.684   0.014  -5.362
  261    HA2  GLY  39           HA1      GLY  39  -5.008  -1.669  -7.314
  262    HA3  GLY  39           HA2      GLY  39  -5.245   0.061  -7.557
  263    H    GLU  40           HN       GLU  40  -3.248  -2.574  -8.053
  264    HA   GLU  40           HA       GLU  40  -1.212  -2.898  -8.991
  265    HB2  GLU  40           HB2      GLU  40  -1.583  -1.075 -10.555
  266    HB3  GLU  40           HB3      GLU  40  -1.216   0.110  -9.303
  267    HG2  GLU  40           HG2      GLU  40   0.640  -0.148 -10.858
  268    HG3  GLU  40           HG3      GLU  40   1.093  -0.662  -9.229
  269    H    ARG  41           HN       ARG  41  -1.356  -0.055  -7.023
  270    HA   ARG  41           HA       ARG  41   0.233  -1.382  -5.010
  271    HB2  ARG  41           HB2      ARG  41   1.510   0.842  -4.725
  272    HB3  ARG  41           HB3      ARG  41   1.964  -0.250  -6.029
  273    HG2  ARG  41           HG2      ARG  41   1.977   1.773  -7.096
  274    HG3  ARG  41           HG3      ARG  41   0.357   1.180  -7.463
  275    HD2  ARG  41           HD2      ARG  41  -0.530   2.545  -5.613
  276    HD3  ARG  41           HD3      ARG  41   1.096   3.175  -5.322
  277    HE   ARG  41           HE       ARG  41  -0.564   3.685  -7.706
  278   HH11  ARG  41          HH12      ARG  41   2.202   4.484  -5.692
  279   HH12  ARG  41          HH11      ARG  41   2.589   5.926  -6.583
  280   HH21  ARG  41          HH22      ARG  41  -0.049   5.599  -8.853
  281   HH22  ARG  41          HH21      ARG  41   1.312   6.554  -8.359
  282    H    CYS  42           HN       CYS  42  -2.144   1.089  -5.862
  283    HA   CYS  42           HA       CYS  42  -3.315   1.219  -3.367
  284    HB2  CYS  42           HB2      CYS  42  -1.549   2.322  -2.364
  285    HB3  CYS  42           HB3      CYS  42  -1.051   3.106  -3.858
  286    H    GLN  43           HN       GLN  43  -5.199   1.215  -4.743
  287    HA   GLN  43           HA       GLN  43  -6.683   3.162  -4.005
  288    HB2  GLN  43           HB2      GLN  43  -5.232   4.337  -6.304
  289    HB3  GLN  43           HB3      GLN  43  -6.932   4.747  -6.086
  290    HG2  GLN  43           HG2      GLN  43  -6.487   5.496  -3.837
  291    HG3  GLN  43           HG3      GLN  43  -4.808   4.985  -3.993
  292   HE21  GLN  43          HE21      GLN  43  -4.768   5.978  -6.809
  293   HE22  GLN  43          HE22      GLN  43  -4.617   7.699  -6.681
  294    H    TYR  44           HN       TYR  44  -7.103   0.699  -4.613
  295    HA   TYR  44           HA       TYR  44  -9.687   1.083  -5.818
  296    HB2  TYR  44           HB2      TYR  44  -7.588  -0.151  -7.375
  297    HB3  TYR  44           HB3      TYR  44  -8.877  -1.312  -7.063
  298    HD1  TYR  44           HD1      TYR  44 -11.324  -0.325  -7.455
  299    HD2  TYR  44           HD2      TYR  44  -7.771   1.188  -9.233
  300    HE1  TYR  44           HE1      TYR  44 -12.659   0.671  -9.266
  301    HE2  TYR  44           HE2      TYR  44  -9.091   2.186 -11.048
  302    HH   TYR  44           HH       TYR  44 -11.333   1.753 -12.145
  303    H    ARG  45           HN       ARG  45 -11.131  -0.009  -4.679
  304    HA   ARG  45           HA       ARG  45 -12.116  -1.725  -3.609
  305    HB2  ARG  45           HB2      ARG  45  -9.573  -3.197  -4.232
  306    HB3  ARG  45           HB3      ARG  45 -10.953  -3.950  -3.429
  307    HG2  ARG  45           HG2      ARG  45 -11.440  -4.580  -5.537
  308    HG3  ARG  45           HG3      ARG  45 -12.177  -2.977  -5.606
  309    HD2  ARG  45           HD2      ARG  45 -10.820  -3.261  -7.555
  310    HD3  ARG  45           HD3      ARG  45 -10.029  -2.095  -6.490
  311    HE   ARG  45           HE       ARG  45  -8.700  -4.190  -5.752
  312   HH11  ARG  45          HH12      ARG  45  -9.858  -3.542  -8.997
  313   HH12  ARG  45          HH11      ARG  45  -8.528  -4.358  -9.762
  314   HH21  ARG  45          HH22      ARG  45  -6.965  -5.275  -6.745
  315   HH22  ARG  45          HH21      ARG  45  -6.883  -5.366  -8.487
  316    H    ASP  46           HN       ASP  46 -12.473  -2.459  -1.699
  317    HA   ASP  46           HA       ASP  46 -10.625  -1.671   0.432
  318    HB2  ASP  46           HB2      ASP  46 -13.515  -2.589   0.583
  319    HB3  ASP  46           HB3      ASP  46 -12.567  -1.899   1.897
  320    H    LEU  47           HN       LEU  47 -10.167  -3.912  -1.297
  321    HA   LEU  47           HA       LEU  47 -11.243  -6.340  -0.527
  322    HB2  LEU  47           HB2      LEU  47  -9.558  -7.359  -1.887
  323    HB3  LEU  47           HB3      LEU  47 -10.099  -5.883  -2.652
  324    HG   LEU  47           HG       LEU  47  -7.809  -5.981  -3.058
  325   HD11  LEU  47          HD11      LEU  47  -8.479  -3.769  -2.378
  326   HD12  LEU  47          HD12      LEU  47  -8.108  -4.152  -0.699
  327   HD13  LEU  47          HD13      LEU  47  -6.815  -4.096  -1.896
  328   HD21  LEU  47          HD21      LEU  47  -7.184  -7.723  -1.504
  329   HD22  LEU  47          HD22      LEU  47  -6.082  -6.351  -1.370
  330   HD23  LEU  47          HD23      LEU  47  -7.333  -6.598  -0.153
  331    H    LYS  48           HN       LYS  48  -9.057  -4.507   1.203
  332    HA   LYS  48           HA       LYS  48  -7.750  -6.741   2.506
  333    HB2  LYS  48           HB2      LYS  48  -7.127  -4.351   3.846
  334    HB3  LYS  48           HB3      LYS  48  -6.131  -5.201   2.664
  335    HG2  LYS  48           HG2      LYS  48  -7.322  -3.984   0.869
  336    HG3  LYS  48           HG3      LYS  48  -8.169  -3.070   2.120
  337    HD2  LYS  48           HD2      LYS  48  -6.300  -1.844   2.650
  338    HD3  LYS  48           HD3      LYS  48  -5.190  -3.141   2.190
  339    HE2  LYS  48           HE2      LYS  48  -5.231  -1.095   0.671
  340    HE3  LYS  48           HE3      LYS  48  -5.422  -2.664  -0.108
  341    HZ1  LYS  48           HZ1      LYS  48  -6.978  -0.976  -0.923
  342    HZ2  LYS  48           HZ2      LYS  48  -7.652  -0.852   0.621
  343    HZ3  LYS  48           HZ3      LYS  48  -7.776  -2.298  -0.242
  344    H    TRP  49           HN       TRP  49  -9.639  -3.904   3.625
  345    HA   TRP  49           HA       TRP  49 -10.270  -5.434   6.036
  346    HB2  TRP  49           HB2      TRP  49  -9.392  -3.215   6.419
  347    HB3  TRP  49           HB3      TRP  49 -10.671  -2.505   5.438
  348    HD1  TRP  49           HD1      TRP  49 -12.467  -1.435   6.886
  349    HE1  TRP  49           HE1      TRP  49 -13.527  -1.902   9.189
  350    HE3  TRP  49           HE3      TRP  49  -9.808  -5.604   8.158
  351    HZ2  TRP  49           HZ2      TRP  49 -13.263  -3.791  11.260
  352    HZ3  TRP  49           HZ3      TRP  49 -10.273  -6.684  10.320
  353    HH2  TRP  49           HH2      TRP  49 -11.964  -5.796  11.836
  354    H    TRP  50           HN       TRP  50 -12.015  -3.751   3.417
  355    HA   TRP  50           HA       TRP  50 -14.505  -4.305   4.861
  356    HB2  TRP  50           HB2      TRP  50 -13.931  -1.981   4.110
  357    HB3  TRP  50           HB3      TRP  50 -14.124  -2.531   2.450
  358    HD1  TRP  50           HD1      TRP  50 -16.613  -2.940   1.573
  359    HE1  TRP  50           HE1      TRP  50 -18.916  -2.233   2.498
  360    HE3  TRP  50           HE3      TRP  50 -15.201  -1.619   6.306
  361    HZ2  TRP  50           HZ2      TRP  50 -19.975  -1.244   4.924
  362    HZ3  TRP  50           HZ3      TRP  50 -16.920  -0.801   7.866
  363    HH2  TRP  50           HH2      TRP  50 -19.255  -0.619   7.187
  364    H    GLU  51           HN       GLU  51 -13.045  -4.832   1.668
  365    HA   GLU  51           HA       GLU  51 -15.478  -5.858   0.552
  366    HB2  GLU  51           HB2      GLU  51 -12.648  -5.648  -0.434
  367    HB3  GLU  51           HB3      GLU  51 -13.848  -6.566  -1.334
  368    HG2  GLU  51           HG2      GLU  51 -14.035  -3.663  -0.593
  369    HG3  GLU  51           HG3      GLU  51 -13.573  -4.294  -2.173
  370    H    LEU  52           HN       LEU  52 -12.391  -7.299   1.505
  371    HA   LEU  52           HA       LEU  52 -13.634  -9.946   1.242
  372    HB2  LEU  52           HB2      LEU  52 -10.705  -9.285   1.356
  373    HB3  LEU  52           HB3      LEU  52 -11.427 -10.826   0.913
  374    HG   LEU  52           HG       LEU  52 -11.563  -8.258  -0.662
  375   HD11  LEU  52          HD11      LEU  52 -10.235  -9.540  -2.314
  376   HD12  LEU  52          HD12      LEU  52  -9.385  -9.299  -0.788
  377   HD13  LEU  52          HD13      LEU  52 -10.115 -10.862  -1.152
  378   HD21  LEU  52          HD21      LEU  52 -12.688 -10.987  -1.301
  379   HD22  LEU  52          HD22      LEU  52 -13.621  -9.545  -0.898
  380   HD23  LEU  52          HD23      LEU  52 -12.675  -9.597  -2.385
  381    H    ARG  53           HN       ARG  53 -11.804  -7.819   3.304
  382    HA   ARG  53           HA       ARG  53 -11.365  -7.815   5.542
  383    HB2  ARG  53           HB2      ARG  53 -13.328 -10.112   5.760
  384    HB3  ARG  53           HB3      ARG  53 -12.725  -9.131   7.089
  385    HG2  ARG  53           HG2      ARG  53 -13.813  -7.155   6.026
  386    HG3  ARG  53           HG3      ARG  53 -14.530  -8.253   4.847
  387    HD2  ARG  53           HD2      ARG  53 -16.136  -7.835   6.577
  388    HD3  ARG  53           HD3      ARG  53 -15.570  -9.498   6.722
  389    HE   ARG  53           HE       ARG  53 -14.239  -7.506   8.379
  390   HH11  ARG  53          HH12      ARG  53 -16.592 -10.078   8.139
  391   HH12  ARG  53          HH11      ARG  53 -16.696 -10.314   9.862
  392   HH21  ARG  53          HH22      ARG  53 -14.388  -7.818  10.664
  393   HH22  ARG  53          HH21      ARG  53 -15.424  -9.067  11.273
  Start of MODEL   10
    1    H1   ASN   1           H1       ASN   1   9.941 -11.696   3.916
    2    H2   ASN   1           H2       ASN   1  10.799 -11.281   5.317
    3    H3   ASN   1           H3       ASN   1  11.555 -12.188   4.102
    4    HA   ASN   1           HA       ASN   1  12.306  -9.921   4.038
    5    HB2  ASN   1           HB2      ASN   1  10.550 -10.825   1.758
    6    HB3  ASN   1           HB3      ASN   1  11.534  -9.367   1.662
    7   HD21  ASN   1          HD21      ASN   1  13.753  -9.543   1.475
    8   HD22  ASN   1          HD22      ASN   1  14.548 -11.050   1.162
    9    H    SER   2           HN       SER   2  10.242  -8.481   2.042
   10    HA   SER   2           HA       SER   2   9.049  -6.557   2.213
   11    HB2  SER   2           HB2      SER   2   8.035  -7.800   4.791
   12    HB3  SER   2           HB3      SER   2   7.308  -6.420   3.960
   13    HG   SER   2           HG       SER   2   6.827  -8.972   3.540
   14    H    ASP   3           HN       ASP   3  11.300  -5.835   2.484
   15    HA   ASP   3           HA       ASP   3  12.004  -5.141   5.262
   16    HB2  ASP   3           HB2      ASP   3  14.373  -5.501   4.553
   17    HB3  ASP   3           HB3      ASP   3  13.388  -6.957   4.486
   18    H    SER   4           HN       SER   4  14.272  -3.638   4.733
   19    HA   SER   4           HA       SER   4  14.894  -1.496   4.349
   20    HB2  SER   4           HB2      SER   4  14.813  -1.945   2.012
   21    HB3  SER   4           HB3      SER   4  13.054  -1.897   1.984
   22    HG   SER   4           HG       SER   4  13.203   0.121   1.536
   23    H    GLU   5           HN       GLU   5  13.673   0.840   3.886
   24    HA   GLU   5           HA       GLU   5  11.240   0.878   5.501
   25    HB2  GLU   5           HB2      GLU   5  13.754   2.404   6.200
   26    HB3  GLU   5           HB3      GLU   5  12.189   2.662   6.954
   27    HG2  GLU   5           HG2      GLU   5  12.216   0.471   7.911
   28    HG3  GLU   5           HG3      GLU   5  13.670   0.046   7.005
   29    H    CYS   6           HN       CYS   6   9.823   2.314   4.776
   30    HA   CYS   6           HA       CYS   6  10.689   4.315   2.826
   31    HB2  CYS   6           HB2      CYS   6   8.040   3.133   3.586
   32    HB3  CYS   6           HB3      CYS   6   8.113   4.661   2.717
   33    HA   PRO   7           HA       PRO   7  10.081   7.381   6.041
   34    HB2  PRO   7           HB2      PRO   7  11.629   9.261   4.692
   35    HB3  PRO   7           HB3      PRO   7  12.220   8.091   5.872
   36    HG2  PRO   7           HG2      PRO   7  12.801   8.178   3.089
   37    HG3  PRO   7           HG3      PRO   7  13.280   6.932   4.249
   38    HD2  PRO   7           HD2      PRO   7  11.038   6.944   2.306
   39    HD3  PRO   7           HD3      PRO   7  11.949   5.574   2.978
   40    H    LEU   8           HN       LEU   8   9.888   9.997   5.634
   41    HA   LEU   8           HA       LEU   8   7.279  10.402   4.736
   42    HB2  LEU   8           HB2      LEU   8   8.631  11.795   6.328
   43    HB3  LEU   8           HB3      LEU   8   9.434  12.496   4.940
   44    HG   LEU   8           HG       LEU   8   7.227  13.331   4.141
   45   HD11  LEU   8          HD11      LEU   8   5.358  13.382   5.712
   46   HD12  LEU   8          HD12      LEU   8   5.795  11.727   5.288
   47   HD13  LEU   8          HD13      LEU   8   6.278  12.394   6.846
   48   HD21  LEU   8          HD21      LEU   8   7.073  15.149   5.765
   49   HD22  LEU   8          HD22      LEU   8   8.052  14.222   6.902
   50   HD23  LEU   8          HD23      LEU   8   8.754  14.775   5.381
   51    H    SER   9           HN       SER   9   9.935   9.861   2.850
   52    HA   SER   9           HA       SER   9   9.217  11.698   0.704
   53    HB2  SER   9           HB2      SER   9  11.373  10.733  -0.300
   54    HB3  SER   9           HB3      SER   9  11.540  11.711   1.160
   55    HG   SER   9           HG       SER   9  12.545  10.023   1.914
   56    H    HIS  10           HN       HIS  10   9.516   8.226   1.378
   57    HA   HIS  10           HA       HIS  10   8.763   7.630  -1.379
   58    HB2  HIS  10           HB2      HIS  10   9.820   5.893   0.847
   59    HB3  HIS  10           HB3      HIS  10   9.238   5.232  -0.677
   60    HD1  HIS  10           HD1      HIS  10  10.874   5.158  -2.572
   61    HD2  HIS  10           HD2      HIS  10  12.128   7.643   0.524
   62    HE1  HIS  10           HE1      HIS  10  13.227   5.843  -3.158
   63    HE2  HIS  10           HE2      HIS  10  14.024   7.212  -1.188
   64    H    ASP  11           HN       ASP  11   7.812   6.082   1.709
   65    HA   ASP  11           HA       ASP  11   5.230   5.415   0.897
   66    HB2  ASP  11           HB2      ASP  11   4.854   4.743   3.074
   67    HB3  ASP  11           HB3      ASP  11   6.611   4.808   3.078
   68    H    GLY  12           HN       GLY  12   6.572   8.343   2.211
   69    HA2  GLY  12           HA1      GLY  12   4.167   9.780   2.547
   70    HA3  GLY  12           HA2      GLY  12   5.755  10.487   2.292
   71    H    TYR  13           HN       TYR  13   5.874   8.832  -0.295
   72    HA   TYR  13           HA       TYR  13   4.482  10.785  -1.948
   73    HB2  TYR  13           HB2      TYR  13   6.877  10.081  -2.395
   74    HB3  TYR  13           HB3      TYR  13   6.242   8.516  -2.892
   75    HD1  TYR  13           HD1      TYR  13   6.201  12.135  -3.691
   76    HD2  TYR  13           HD2      TYR  13   5.335   8.197  -5.049
   77    HE1  TYR  13           HE1      TYR  13   5.861  13.001  -5.968
   78    HE2  TYR  13           HE2      TYR  13   4.993   9.051  -7.327
   79    HH   TYR  13           HH       TYR  13   5.973  12.113  -8.313
   80    H    CYS  14           HN       CYS  14   4.074   7.582  -0.794
   81    HA   CYS  14           HA       CYS  14   2.310   6.619  -2.782
   82    HB2  CYS  14           HB2      CYS  14   2.433   5.970   0.175
   83    HB3  CYS  14           HB3      CYS  14   1.507   5.055  -1.017
   84    H    LEU  15           HN       LEU  15  -0.278   6.192  -1.630
   85    HA   LEU  15           HA       LEU  15  -0.946   8.928  -2.383
   86    HB2  LEU  15           HB2      LEU  15  -2.583   6.433  -2.679
   87    HB3  LEU  15           HB3      LEU  15  -3.048   8.029  -3.239
   88    HG   LEU  15           HG       LEU  15  -0.752   6.358  -4.239
   89   HD11  LEU  15          HD11      LEU  15  -1.975   6.467  -6.362
   90   HD12  LEU  15          HD12      LEU  15  -2.922   5.687  -5.095
   91   HD13  LEU  15          HD13      LEU  15  -3.272   7.351  -5.561
   92   HD21  LEU  15          HD21      LEU  15  -0.063   8.684  -4.169
   93   HD22  LEU  15          HD22      LEU  15  -0.350   8.183  -5.836
   94   HD23  LEU  15          HD23      LEU  15  -1.545   9.169  -4.994
   95    H    HIS  16           HN       HIS  16  -3.171   6.632  -0.832
   96    HA   HIS  16           HA       HIS  16  -4.220   9.032   0.486
   97    HB2  HIS  16           HB2      HIS  16  -5.507   7.174  -1.066
   98    HB3  HIS  16           HB3      HIS  16  -5.920   6.648   0.562
   99    HD1  HIS  16           HD1      HIS  16  -5.482  10.274   0.369
  100    HD2  HIS  16           HD2      HIS  16  -8.572   7.562  -0.265
  101    HE1  HIS  16           HE1      HIS  16  -7.596  11.635   0.397
  102    HE2  HIS  16           HE2      HIS  16  -9.415  10.014  -0.239
  103    H    ASP  17           HN       ASP  17  -2.054   7.422   1.409
  104    HA   ASP  17           HA       ASP  17  -2.144   7.885   4.046
  105    HB2  ASP  17           HB2      ASP  17  -3.946   6.141   4.215
  106    HB3  ASP  17           HB3      ASP  17  -2.783   4.952   3.635
  107    H    GLY  18           HN       GLY  18  -1.300   5.412   1.757
  108    HA2  GLY  18           HA1      GLY  18   0.653   4.629   0.959
  109    HA3  GLY  18           HA2      GLY  18   1.247   6.249   1.268
  110    H    VAL  19           HN       VAL  19   1.391   2.965   2.099
  111    HA   VAL  19           HA       VAL  19   3.862   3.587   3.542
  112    HB   VAL  19           HB       VAL  19   1.898   1.426   4.365
  113   HG11  VAL  19          HG11      VAL  19   3.521   0.836   6.094
  114   HG12  VAL  19          HG12      VAL  19   4.213   0.637   4.483
  115   HG13  VAL  19          HG13      VAL  19   4.643   2.041   5.459
  116   HG21  VAL  19          HG21      VAL  19   1.290   3.634   5.198
  117   HG22  VAL  19          HG22      VAL  19   1.847   2.599   6.513
  118   HG23  VAL  19          HG23      VAL  19   2.912   3.841   5.856
  119    H    CYS  20           HN       CYS  20   5.533   2.635   2.426
  120    HA   CYS  20           HA       CYS  20   4.754   0.521   0.566
  121    HB2  CYS  20           HB2      CYS  20   6.998   1.233  -0.590
  122    HB3  CYS  20           HB3      CYS  20   5.513   2.127  -0.885
  123    H    MET  21           HN       MET  21   5.523  -1.362   0.810
  124    HA   MET  21           HA       MET  21   8.204  -1.864   1.565
  125    HB2  MET  21           HB2      MET  21   7.825  -3.027   3.644
  126    HB3  MET  21           HB3      MET  21   7.197  -1.405   3.793
  127    HG2  MET  21           HG2      MET  21   4.939  -2.208   3.485
  128    HG3  MET  21           HG3      MET  21   5.533  -3.848   3.239
  129    HE1  MET  21           HE1      MET  21   5.919  -1.591   7.243
  130    HE2  MET  21           HE2      MET  21   6.853  -1.192   5.800
  131    HE3  MET  21           HE3      MET  21   5.113  -0.907   5.832
  132    H    TYR  22           HN       TYR  22   8.753  -3.615   0.340
  133    HA   TYR  22           HA       TYR  22   7.647  -6.072   0.745
  134    HB2  TYR  22           HB2      TYR  22   6.349  -4.587  -1.384
  135    HB3  TYR  22           HB3      TYR  22   7.168  -6.026  -1.968
  136    HD1  TYR  22           HD1      TYR  22   6.676  -7.487   0.798
  137    HD2  TYR  22           HD2      TYR  22   4.170  -5.523  -2.020
  138    HE1  TYR  22           HE1      TYR  22   4.782  -8.878   1.522
  139    HE2  TYR  22           HE2      TYR  22   2.269  -6.907  -1.304
  140    HH   TYR  22           HH       TYR  22   2.325  -8.789   1.524
  141    H    ILE  23           HN       ILE  23   9.460  -7.096   0.661
  142    HA   ILE  23           HA       ILE  23  11.656  -7.610   0.133
  143    HB   ILE  23           HB       ILE  23  10.869  -8.044  -2.624
  144   HG12  ILE  23          HG12      ILE  23   8.740  -7.870  -1.099
  145   HG13  ILE  23          HG13      ILE  23   8.851  -9.124  -2.353
  146   HG21  ILE  23          HG21      ILE  23  12.686  -9.259  -1.550
  147   HG22  ILE  23          HG22      ILE  23  11.562  -9.901  -0.353
  148   HG23  ILE  23          HG23      ILE  23  11.414 -10.372  -2.048
  149   HD11  ILE  23          HD11      ILE  23   9.405  -9.484   0.590
  150   HD12  ILE  23          HD12      ILE  23   7.962 -10.017  -0.272
  151   HD13  ILE  23          HD13      ILE  23   9.527 -10.742  -0.639
  152    H    GLU  24           HN       GLU  24  12.314  -5.308   0.246
  153    HA   GLU  24           HA       GLU  24  12.250  -3.709  -2.155
  154    HB2  GLU  24           HB2      GLU  24  13.018  -3.228   0.679
  155    HB3  GLU  24           HB3      GLU  24  13.103  -1.964  -0.545
  156    HG2  GLU  24           HG2      GLU  24  10.621  -2.434  -0.922
  157    HG3  GLU  24           HG3      GLU  24  10.693  -3.361   0.587
  158    H    ALA  25           HN       ALA  25  14.380  -5.607  -0.331
  159    HA   ALA  25           HA       ALA  25  16.803  -4.578  -1.507
  160    HB1  ALA  25           HB1      ALA  25  16.304  -7.174  -0.037
  161    HB2  ALA  25           HB2      ALA  25  17.881  -6.539  -0.503
  162    HB3  ALA  25           HB3      ALA  25  16.904  -5.681   0.687
  163    H    LEU  26           HN       LEU  26  14.128  -6.220  -2.458
  164    HA   LEU  26           HA       LEU  26  15.583  -7.345  -4.708
  165    HB2  LEU  26           HB2      LEU  26  12.908  -8.142  -3.625
  166    HB3  LEU  26           HB3      LEU  26  13.489  -8.652  -5.198
  167    HG   LEU  26           HG       LEU  26  14.578  -9.409  -2.494
  168   HD11  LEU  26          HD11      LEU  26  14.205 -11.692  -3.358
  169   HD12  LEU  26          HD12      LEU  26  12.720 -10.746  -3.250
  170   HD13  LEU  26          HD13      LEU  26  13.494 -10.997  -4.813
  171   HD21  LEU  26          HD21      LEU  26  16.469  -8.871  -3.948
  172   HD22  LEU  26          HD22      LEU  26  16.365 -10.604  -3.638
  173   HD23  LEU  26          HD23      LEU  26  15.826  -9.951  -5.185
  174    H    ASP  27           HN       ASP  27  14.275  -4.756  -3.688
  175    HA   ASP  27           HA       ASP  27  13.639  -2.844  -4.687
  176    HB2  ASP  27           HB2      ASP  27  15.451  -3.476  -6.181
  177    HB3  ASP  27           HB3      ASP  27  14.326  -4.364  -7.203
  178    H    LYS  28           HN       LYS  28  11.799  -4.781  -3.952
  179    HA   LYS  28           HA       LYS  28   9.622  -4.391  -5.903
  180    HB2  LYS  28           HB2      LYS  28   9.459  -5.872  -3.275
  181    HB3  LYS  28           HB3      LYS  28   8.421  -6.047  -4.691
  182    HG2  LYS  28           HG2      LYS  28  11.338  -6.741  -4.891
  183    HG3  LYS  28           HG3      LYS  28  10.199  -7.864  -4.143
  184    HD2  LYS  28           HD2      LYS  28  10.484  -8.404  -6.502
  185    HD3  LYS  28           HD3      LYS  28   8.833  -7.893  -6.172
  186    HE2  LYS  28           HE2      LYS  28   9.339  -6.812  -8.157
  187    HE3  LYS  28           HE3      LYS  28   9.636  -5.569  -6.947
  188    HZ1  LYS  28           HZ1      LYS  28  11.387  -5.698  -8.644
  189    HZ2  LYS  28           HZ2      LYS  28  11.738  -7.286  -8.161
  190    HZ3  LYS  28           HZ3      LYS  28  11.985  -6.000  -7.088
  191    H    TYR  29           HN       TYR  29   7.460  -3.694  -4.880
  192    HA   TYR  29           HA       TYR  29   7.539  -2.248  -2.445
  193    HB2  TYR  29           HB2      TYR  29   7.345   0.025  -3.253
  194    HB3  TYR  29           HB3      TYR  29   8.848  -0.671  -3.846
  195    HD1  TYR  29           HD2      TYR  29   8.929  -1.442  -6.281
  196    HD2  TYR  29           HD1      TYR  29   5.754   0.917  -4.713
  197    HE1  TYR  29           HE2      TYR  29   8.299  -0.775  -8.564
  198    HE2  TYR  29           HE1      TYR  29   5.111   1.584  -6.988
  199    HH   TYR  29           HH       TYR  29   6.119   1.773  -9.210
  200    H    ALA  30           HN       ALA  30   5.545  -2.454  -1.662
  201    HA   ALA  30           HA       ALA  30   3.344  -1.726  -3.484
  202    HB1  ALA  30           HB1      ALA  30   1.843  -3.080  -2.096
  203    HB2  ALA  30           HB2      ALA  30   3.136  -4.058  -2.794
  204    HB3  ALA  30           HB3      ALA  30   3.214  -3.573  -1.101
  205    H    CYS  31           HN       CYS  31   1.899  -0.172  -2.744
  206    HA   CYS  31           HA       CYS  31   2.662   1.186  -0.254
  207    HB2  CYS  31           HB2      CYS  31   1.080   2.259  -2.612
  208    HB3  CYS  31           HB3      CYS  31   1.328   3.131  -1.110
  209    H    ASN  32           HN       ASN  32   1.469   0.551   1.354
  210    HA   ASN  32           HA       ASN  32  -1.259  -0.358   0.823
  211    HB2  ASN  32           HB2      ASN  32   0.342  -1.929   1.903
  212    HB3  ASN  32           HB3      ASN  32   0.478  -0.814   3.264
  213   HD21  ASN  32          HD21      ASN  32  -0.341  -2.245   4.764
  214   HD22  ASN  32          HD22      ASN  32  -1.999  -2.742   4.782
  215    H    CYS  33           HN       CYS  33  -2.546   1.294   0.955
  216    HA   CYS  33           HA       CYS  33  -2.018   3.488   2.752
  217    HB2  CYS  33           HB2      CYS  33  -3.949   3.059   0.483
  218    HB3  CYS  33           HB3      CYS  33  -4.001   4.500   1.512
  219    H    VAL  34           HN       VAL  34  -5.242   2.257   1.871
  220    HA   VAL  34           HA       VAL  34  -5.877   2.178   4.719
  221    HB   VAL  34           HB       VAL  34  -6.151   4.542   3.820
  222   HG11  VAL  34          HG11      VAL  34  -8.395   3.262   2.269
  223   HG12  VAL  34          HG12      VAL  34  -8.164   4.998   2.483
  224   HG13  VAL  34          HG13      VAL  34  -6.959   4.048   1.614
  225   HG21  VAL  34          HG21      VAL  34  -8.638   3.183   4.865
  226   HG22  VAL  34          HG22      VAL  34  -7.295   3.780   5.840
  227   HG23  VAL  34          HG23      VAL  34  -8.296   4.911   4.927
  228    H    VAL  35           HN       VAL  35  -7.982   1.168   5.080
  229    HA   VAL  35           HA       VAL  35  -8.252  -1.068   3.330
  230    HB   VAL  35           HB       VAL  35  -9.864  -1.929   4.900
  231   HG11  VAL  35          HG11      VAL  35  -7.503  -2.137   5.433
  232   HG12  VAL  35          HG12      VAL  35  -7.533  -0.577   6.256
  233   HG13  VAL  35          HG13      VAL  35  -8.447  -1.936   6.910
  234   HG21  VAL  35          HG21      VAL  35  -9.698   0.766   6.259
  235   HG22  VAL  35          HG22      VAL  35 -11.101   0.120   5.404
  236   HG23  VAL  35          HG23      VAL  35 -10.539  -0.652   6.887
  237    H    GLY  36           HN       GLY  36  -8.758   0.938   1.789
  238    HA2  GLY  36           HA1      GLY  36 -11.418   0.534   0.823
  239    HA3  GLY  36           HA2      GLY  36 -11.212   2.129   1.541
  240    H    TYR  37           HN       TYR  37  -8.307   1.073   0.408
  241    HA   TYR  37           HA       TYR  37  -8.576   1.922  -2.297
  242    HB2  TYR  37           HB2      TYR  37  -7.078   3.631  -0.287
  243    HB3  TYR  37           HB3      TYR  37  -6.738   3.687  -2.009
  244    HD1  TYR  37           HD1      TYR  37  -8.375   4.644  -3.561
  245    HD2  TYR  37           HD2      TYR  37  -9.053   4.644   0.637
  246    HE1  TYR  37           HE1      TYR  37 -10.160   6.302  -3.857
  247    HE2  TYR  37           HE2      TYR  37 -10.843   6.305   0.353
  248    HH   TYR  37           HH       TYR  37 -11.526   8.031  -1.284
  249    H    ILE  38           HN       ILE  38  -7.683   0.006  -2.872
  250    HA   ILE  38           HA       ILE  38  -4.795   0.078  -2.739
  251    HB   ILE  38           HB       ILE  38  -6.117  -1.823  -1.284
  252   HG12  ILE  38          HG12      ILE  38  -3.780  -1.216  -1.079
  253   HG13  ILE  38          HG13      ILE  38  -3.946  -2.965  -1.186
  254   HG21  ILE  38          HG21      ILE  38  -6.994  -2.941  -3.269
  255   HG22  ILE  38          HG22      ILE  38  -5.351  -3.150  -3.879
  256   HG23  ILE  38          HG23      ILE  38  -5.854  -3.969  -2.400
  257   HD11  ILE  38          HD11      ILE  38  -3.272  -2.884  -3.531
  258   HD12  ILE  38          HD12      ILE  38  -3.095  -1.133  -3.416
  259   HD13  ILE  38          HD13      ILE  38  -2.047  -2.190  -2.469
  260    H    GLY  39           HN       GLY  39  -4.006   0.048  -4.727
  261    HA2  GLY  39           HA1      GLY  39  -4.936  -1.760  -6.720
  262    HA3  GLY  39           HA2      GLY  39  -5.348  -0.089  -7.111
  263    H    GLU  40           HN       GLU  40  -2.905  -2.450  -7.068
  264    HA   GLU  40           HA       GLU  40  -0.751  -2.533  -7.737
  265    HB2  GLU  40           HB2      GLU  40  -1.421  -1.070  -9.611
  266    HB3  GLU  40           HB3      GLU  40  -1.159   0.344  -8.596
  267    HG2  GLU  40           HG2      GLU  40   0.716   0.082 -10.045
  268    HG3  GLU  40           HG3      GLU  40   1.225  -0.301  -8.402
  269    H    ARG  41           HN       ARG  41  -1.492   0.610  -6.329
  270    HA   ARG  41           HA       ARG  41   0.371   0.175  -4.160
  271    HB2  ARG  41           HB2      ARG  41   1.415   2.469  -4.706
  272    HB3  ARG  41           HB3      ARG  41   1.905   1.063  -5.650
  273    HG2  ARG  41           HG2      ARG  41   1.608   2.766  -7.226
  274    HG3  ARG  41           HG3      ARG  41   0.168   1.754  -7.345
  275    HD2  ARG  41           HD2      ARG  41  -1.057   3.367  -5.945
  276    HD3  ARG  41           HD3      ARG  41   0.380   4.395  -5.904
  277    HE   ARG  41           HE       ARG  41  -1.146   3.754  -8.348
  278   HH11  ARG  41          HH12      ARG  41   0.827   5.924  -6.450
  279   HH12  ARG  41          HH11      ARG  41   0.810   7.195  -7.634
  280   HH21  ARG  41          HH22      ARG  41  -1.171   5.394  -9.914
  281   HH22  ARG  41          HH21      ARG  41  -0.320   6.887  -9.623
  282    H    CYS  42           HN       CYS  42  -2.339   0.281  -4.257
  283    HA   CYS  42           HA       CYS  42  -4.094   1.038  -3.114
  284    HB2  CYS  42           HB2      CYS  42  -3.780   2.136  -1.174
  285    HB3  CYS  42           HB3      CYS  42  -2.079   1.895  -1.537
  286    H    GLN  43           HN       GLN  43  -5.517   1.655  -4.634
  287    HA   GLN  43           HA       GLN  43  -6.237   4.376  -4.446
  288    HB2  GLN  43           HB2      GLN  43  -6.041   5.085  -6.787
  289    HB3  GLN  43           HB3      GLN  43  -4.478   4.797  -6.044
  290    HG2  GLN  43           HG2      GLN  43  -4.342   2.630  -7.169
  291    HG3  GLN  43           HG3      GLN  43  -5.906   2.935  -7.928
  292   HE21  GLN  43          HE21      GLN  43  -5.046   2.855 -10.011
  293   HE22  GLN  43          HE22      GLN  43  -4.042   4.110 -10.642
  294    H    TYR  44           HN       TYR  44  -7.196   1.439  -4.504
  295    HA   TYR  44           HA       TYR  44  -9.712   2.001  -5.901
  296    HB2  TYR  44           HB2      TYR  44  -7.894  -0.321  -6.506
  297    HB3  TYR  44           HB3      TYR  44  -9.613  -0.319  -6.895
  298    HD1  TYR  44           HD1      TYR  44 -10.335   1.948  -8.203
  299    HD2  TYR  44           HD2      TYR  44  -6.466   0.183  -8.227
  300    HE1  TYR  44           HE1      TYR  44  -9.852   3.051 -10.343
  301    HE2  TYR  44           HE2      TYR  44  -5.971   1.283 -10.370
  302    HH   TYR  44           HH       TYR  44  -7.256   2.187 -12.314
  303    H    ARG  45           HN       ARG  45 -10.969  -0.013  -5.680
  304    HA   ARG  45           HA       ARG  45 -12.144  -1.151  -3.941
  305    HB2  ARG  45           HB2      ARG  45  -9.817  -2.812  -4.846
  306    HB3  ARG  45           HB3      ARG  45 -11.390  -3.428  -4.328
  307    HG2  ARG  45           HG2      ARG  45 -12.251  -3.163  -6.365
  308    HG3  ARG  45           HG3      ARG  45 -11.651  -1.507  -6.477
  309    HD2  ARG  45           HD2      ARG  45 -10.628  -2.712  -8.243
  310    HD3  ARG  45           HD3      ARG  45  -9.387  -2.480  -7.003
  311    HE   ARG  45           HE       ARG  45 -10.652  -4.948  -6.555
  312   HH11  ARG  45          HH12      ARG  45  -8.588  -3.433  -8.954
  313   HH12  ARG  45          HH11      ARG  45  -7.838  -4.933  -9.424
  314   HH21  ARG  45          HH22      ARG  45  -9.662  -6.910  -7.188
  315   HH22  ARG  45          HH21      ARG  45  -8.427  -6.891  -8.410
  316    H    ASP  46           HN       ASP  46 -12.429  -1.958  -2.056
  317    HA   ASP  46           HA       ASP  46 -10.515  -1.200  -0.015
  318    HB2  ASP  46           HB2      ASP  46 -13.196  -2.497   0.463
  319    HB3  ASP  46           HB3      ASP  46 -12.323  -1.382   1.503
  320    H    LEU  47           HN       LEU  47  -9.716  -3.317  -1.645
  321    HA   LEU  47           HA       LEU  47 -10.637  -5.853  -1.183
  322    HB2  LEU  47           HB2      LEU  47  -7.800  -5.034  -1.789
  323    HB3  LEU  47           HB3      LEU  47  -8.450  -6.648  -1.991
  324    HG   LEU  47           HG       LEU  47  -9.269  -4.185  -3.529
  325   HD11  LEU  47          HD11      LEU  47  -7.110  -5.095  -4.192
  326   HD12  LEU  47          HD12      LEU  47  -7.830  -6.695  -4.373
  327   HD13  LEU  47          HD13      LEU  47  -8.326  -5.379  -5.438
  328   HD21  LEU  47          HD21      LEU  47 -10.282  -7.017  -3.737
  329   HD22  LEU  47          HD22      LEU  47 -11.194  -5.629  -3.143
  330   HD23  LEU  47          HD23      LEU  47 -10.686  -5.694  -4.831
  331    H    LYS  48           HN       LYS  48  -8.419  -4.034   0.823
  332    HA   LYS  48           HA       LYS  48  -7.143  -6.267   1.964
  333    HB2  LYS  48           HB2      LYS  48  -6.629  -4.411   3.787
  334    HB3  LYS  48           HB3      LYS  48  -5.829  -4.447   2.222
  335    HG2  LYS  48           HG2      LYS  48  -7.547  -2.839   1.393
  336    HG3  LYS  48           HG3      LYS  48  -8.143  -2.712   3.050
  337    HD2  LYS  48           HD2      LYS  48  -6.689  -0.956   3.048
  338    HD3  LYS  48           HD3      LYS  48  -5.593  -2.245   3.543
  339    HE2  LYS  48           HE2      LYS  48  -5.930  -1.223   0.695
  340    HE3  LYS  48           HE3      LYS  48  -4.627  -0.789   1.814
  341    HZ1  LYS  48           HZ1      LYS  48  -5.153  -3.604   1.022
  342    HZ2  LYS  48           HZ2      LYS  48  -3.810  -2.988   1.850
  343    HZ3  LYS  48           HZ3      LYS  48  -4.051  -2.600   0.227
  344    H    TRP  49           HN       TRP  49  -9.360  -4.007   3.653
  345    HA   TRP  49           HA       TRP  49  -9.981  -6.225   5.451
  346    HB2  TRP  49           HB2      TRP  49 -10.077  -3.258   5.758
  347    HB3  TRP  49           HB3      TRP  49 -11.055  -4.282   6.812
  348    HD1  TRP  49           HD1      TRP  49  -7.424  -4.959   5.624
  349    HE1  TRP  49           HE1      TRP  49  -5.941  -5.240   7.707
  350    HE3  TRP  49           HE3      TRP  49 -10.904  -3.917   9.235
  351    HZ2  TRP  49           HZ2      TRP  49  -6.219  -5.040  10.516
  352    HZ3  TRP  49           HZ3      TRP  49 -10.206  -3.982  11.594
  353    HH2  TRP  49           HH2      TRP  49  -7.916  -4.531  12.217
  354    H    TRP  50           HN       TRP  50 -11.546  -4.168   3.094
  355    HA   TRP  50           HA       TRP  50 -14.124  -4.770   4.320
  356    HB2  TRP  50           HB2      TRP  50 -13.574  -2.404   3.876
  357    HB3  TRP  50           HB3      TRP  50 -13.512  -2.762   2.152
  358    HD1  TRP  50           HD1      TRP  50 -15.792  -2.835   0.854
  359    HE1  TRP  50           HE1      TRP  50 -18.244  -2.409   1.522
  360    HE3  TRP  50           HE3      TRP  50 -15.233  -2.682   5.936
  361    HZ2  TRP  50           HZ2      TRP  50 -19.731  -2.048   3.886
  362    HZ3  TRP  50           HZ3      TRP  50 -17.223  -2.291   7.328
  363    HH2  TRP  50           HH2      TRP  50 -19.424  -1.980   6.324
  364    H    GLU  51           HN       GLU  51 -12.643  -4.778   1.073
  365    HA   GLU  51           HA       GLU  51 -15.009  -5.881  -0.106
  366    HB2  GLU  51           HB2      GLU  51 -12.235  -5.350  -1.175
  367    HB3  GLU  51           HB3      GLU  51 -13.512  -6.067  -2.153
  368    HG2  GLU  51           HG2      GLU  51 -13.667  -3.408  -0.776
  369    HG3  GLU  51           HG3      GLU  51 -13.220  -3.640  -2.463
  370    H    LEU  52           HN       LEU  52 -11.737  -7.131   0.463
  371    HA   LEU  52           HA       LEU  52 -12.747  -9.824  -0.123
  372    HB2  LEU  52           HB2      LEU  52  -9.895  -8.921   0.201
  373    HB3  LEU  52           HB3      LEU  52 -10.441 -10.470  -0.422
  374    HG   LEU  52           HG       LEU  52 -10.766  -7.778  -1.748
  375   HD11  LEU  52          HD11      LEU  52  -9.102 -10.191  -2.467
  376   HD12  LEU  52          HD12      LEU  52  -9.267  -8.730  -3.442
  377   HD13  LEU  52          HD13      LEU  52  -8.499  -8.650  -1.856
  378   HD21  LEU  52          HD21      LEU  52 -11.633 -10.512  -2.691
  379   HD22  LEU  52          HD22      LEU  52 -12.700  -9.199  -2.192
  380   HD23  LEU  52          HD23      LEU  52 -11.702  -9.025  -3.635
  381    H    ARG  53           HN       ARG  53 -10.837  -8.007   2.179
  382    HA   ARG  53           HA       ARG  53 -10.311  -8.292   4.368
  383    HB2  ARG  53           HB2      ARG  53 -12.796  -8.418   4.595
  384    HB3  ARG  53           HB3      ARG  53 -12.682 -10.167   4.466
  385    HG2  ARG  53           HG2      ARG  53 -11.298 -10.215   6.495
  386    HG3  ARG  53           HG3      ARG  53 -11.466  -8.464   6.632
  387    HD2  ARG  53           HD2      ARG  53 -13.910  -8.739   6.786
  388    HD3  ARG  53           HD3      ARG  53 -13.700 -10.488   6.726
  389    HE   ARG  53           HE       ARG  53 -12.270  -9.116   8.843
  390   HH11  ARG  53          HH12      ARG  53 -15.156 -10.859   7.908
  391   HH12  ARG  53          HH11      ARG  53 -15.572 -11.298   9.541
  392   HH21  ARG  53          HH22      ARG  53 -12.809  -9.678  10.983
  393   HH22  ARG  53          HH21      ARG  53 -14.259 -10.593  11.299