*HEADER    HYDROLASE                               06-JUL-11   2LFJ              
*TITLE     SOLUTION STRUCTURE OF THE MONOMERIC DERIVATIVE OF BS-RNASE            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SEMINAL RIBONUCLEASE;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: S-RNASE, SEMINAL RNASE, RIBONUCLEASE BS-1;                  
*COMPND   5 EC: 3.1.27.5;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: COW;                                                
*SOURCE   4 ORGANISM_TAXID: 9913;                                                
*SOURCE   5 GENE: SRN;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET22B(+)                                  
*KEYWDS    HYDROLASE                                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    R.SPADACCINI, D.PICONE                                                
*REVDAT   1   08-FEB-12 2LFJ    0                                                


# ----- dyana2amber, v.2.2 -----
# run by roberta on matisse on ven mag 13 17:54:45 CEST 2011
# reading mapFile /home/roberta/bin/map_dyana2amberWrap
# reading pdbFile amberModel_1.pdb
# reading uplFile /home/roberta/cyana/bs_190210/mbs_caliba_cor.upl

#   2 GLU- HN     2 GLU- HA          1.800        3.050
 &rst iat=  26,   28, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HN     2 GLU- HB3         1.800        3.700
 &rst iat=  26,   31, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HN     2 GLU- HB2         1.800        3.730
 &rst iat=  26,   30, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HN     3 SER  HN          1.800        5.500
 &rst iat=  26,   41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HN     7 LYS+ HN          1.800        5.500
 &rst iat=  52,   82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HN     5 ALA  HN          1.800        4.010
 &rst iat=  52,   62, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HN     4 ALA  HA          1.800        4.140
 &rst iat=  52,   54, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HA     4 ALA  HN          1.800        3.610
 &rst iat=  43,   52, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   5 ALA  HN     6 ALA  HN          1.800        3.640
 &rst iat=  62,   72, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   5 ALA  HN     5 ALA  HA          1.800        3.550
 &rst iat=  62,   64, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HA     5 ALA  HN          1.800        4.790
 &rst iat=  54,   62, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   6 ALA  HN     7 LYS+ HN          1.800        3.640
 &rst iat=  72,   82, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   6 ALA  HN     6 ALA  HA          1.800        3.700
 &rst iat=  72,   74, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   5 ALA  HA     6 ALA  HN          1.800        4.570
 &rst iat=  64,   72, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     8 PHE  HN          1.800        3.730
 &rst iat=  82,  104, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     7 LYS+ HA          1.800        3.830
 &rst iat=  82,   84, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   6 ALA  HA     7 LYS+ HN          1.800        4.820
 &rst iat=  74,   82, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   5 ALA  HA     7 LYS+ HN          1.800        5.500
 &rst iat=  64,   82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     7 LYS+ HB3         1.800        3.790
 &rst iat=  82,   87, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     7 LYS+ HB2         1.800        3.700
 &rst iat=  82,   86, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN     9 GLU- HN          1.800        3.890
 &rst iat= 104,  124, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN     8 PHE  HA          1.800        3.830
 &rst iat= 104,  106, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HA     8 PHE  HN          1.800        5.410
 &rst iat=  54,  104, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     8 PHE  HN          1.800        5.040
 &rst iat=  84,  104, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN     8 PHE  HB2         1.800        3.580
 &rst iat= 104,  108, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN     8 PHE  HB3         1.800        3.390
 &rst iat= 104,  109, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HB2    8 PHE  HN          1.800        3.950
 &rst iat=  86,  104, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HB3    8 PHE  HN          1.800        4.420
 &rst iat=  87,  104, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB2    9 GLU- HN          1.800        4.010
 &rst iat= 108,  124, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   6 ALA  HA     9 GLU- HN          1.800        4.350
 &rst iat=  74,  124, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA     9 GLU- HN          1.800        5.160
 &rst iat= 106,  124, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB3    9 GLU- HN          1.800        4.380
 &rst iat= 109,  124, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HN     9 GLU- HB2         1.800        3.450
 &rst iat= 124,  128, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN    10 ARG+ HN          1.800        5.500
 &rst iat= 104,  139, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    10 ARG+ HA          1.800        4.260
 &rst iat= 139,  141, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA    10 ARG+ HN          1.800        5.500
 &rst iat= 126,  139, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA    10 ARG+ HN          1.800        5.070
 &rst iat=  84,  139, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HB2   10 ARG+ HN          1.800        4.540
 &rst iat= 128,  139, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HB3   10 ARG+ HN          1.800        3.640
 &rst iat= 129,  139, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    10 ARG+ HB2         1.800        3.890
 &rst iat= 139,  143, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    10 ARG+ HB3         1.800        3.950
 &rst iat= 139,  144, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    11 GLN  HN          1.800        4.480
 &rst iat= 139,  163, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HN    13 MET  HN          1.800        3.640
 &rst iat= 180,  198, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    13 MET  HN          1.800        5.500
 &rst iat= 163,  198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    12 HIS+ HN          1.800        3.730
 &rst iat= 163,  180, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    11 GLN  HA          1.800        4.480
 &rst iat= 163,  165, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA    11 GLN  HN          1.800        5.500
 &rst iat=  84,  163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA    11 GLN  HN          1.800        5.500
 &rst iat= 106,  163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HA    11 GLN  HN          1.800        5.500
 &rst iat= 141,  163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    11 GLN  HB3         1.800        4.540
 &rst iat= 163,  168, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    11 GLN  HB2         1.800        3.730
 &rst iat= 163,  167, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HB3   11 GLN  HN          1.800        4.970
 &rst iat= 144,  163, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HB3   11 GLN  HN          1.800        5.500
 &rst iat= 129,  163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HN    12 HIS+ HA          1.800        4.540
 &rst iat= 180,  182, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA    12 HIS+ HN          1.800        5.380
 &rst iat= 106,  180, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HA    12 HIS+ HN          1.800        5.500
 &rst iat= 165,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA    12 HIS+ HN          1.800        5.500
 &rst iat= 126,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HN    12 HIS+ HB2         1.800        4.510
 &rst iat= 180,  184, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HN    12 HIS+ HB3         1.800        3.790
 &rst iat= 180,  185, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB2   12 HIS+ HN          1.800        4.630
 &rst iat= 167,  180, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB3   12 HIS+ HN          1.800        5.500
 &rst iat= 168,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HN    13 MET  HA          1.800        4.140
 &rst iat= 198,  200, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HA    13 MET  HN          1.800        5.500
 &rst iat= 182,  198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA    13 MET  HN          1.800        4.510
 &rst iat= 126,  198, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HN    13 MET  HB3         1.800        5.000
 &rst iat= 198,  203, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HN    13 MET  HB2         1.800        4.200
 &rst iat= 198,  202, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    47 VAL  HN          1.800        5.310
 &rst iat= 217,  711, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    14 ASP- HN          1.800        3.080
 &rst iat= 200,  217, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    14 ASP- HB3         1.800        5.040
 &rst iat= 217,  222, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    14 ASP- HB2         1.800        5.500
 &rst iat= 217,  221, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    15 SER  HN          1.800        5.500
 &rst iat= 217,  229, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HN    15 SER  HA          1.800        4.540
 &rst iat= 229,  231, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HN    15 SER  HB3         1.800        4.170
 &rst iat= 229,  234, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HN    15 SER  HB2         1.800        4.910
 &rst iat= 229,  233, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HA    15 SER  HN          1.800        3.330
 &rst iat= 219,  229, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HB2   15 SER  HN          1.800        5.500
 &rst iat= 221,  229, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HN    16 GLY  HN          1.800        5.280
 &rst iat= 229,  240, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HN    16 GLY  HA1         1.800        4.260
 &rst iat= 240,  242, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HN    16 GLY  HA2         1.800        3.760
 &rst iat= 240,  243, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HB3   16 GLY  HN          1.800        5.500
 &rst iat= 234,  240, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    16 GLY  HN          1.800        3.670
 &rst iat= 231,  240, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HN    18 SER  HN          1.800        5.250
 &rst iat= 247,  261, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HN    17 ASN  HN          1.800        4.820
 &rst iat= 240,  247, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HN    17 ASN  HA          1.800        4.690
 &rst iat= 247,  249, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HA1   17 ASN  HN          1.800        4.010
 &rst iat= 242,  247, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HA2   17 ASN  HN          1.800        4.260
 &rst iat= 243,  247, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HN    17 ASN  HB2         1.800        4.420
 &rst iat= 247,  251, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HN    17 ASN  HB3         1.800        4.350
 &rst iat= 247,  252, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  18 SER  HN    18 SER  HA          1.800        4.320
 &rst iat= 261,  263, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HA    18 SER  HN          1.800        3.640
 &rst iat= 249,  261, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  18 SER  HN    18 SER  HB3         1.800        3.830
 &rst iat= 261,  266, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  18 SER  HN    18 SER  HB2         1.800        4.510
 &rst iat= 261,  265, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB3   18 SER  HN          1.800        4.760
 &rst iat= 252,  261, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB2   18 SER  HN          1.800        4.660
 &rst iat= 251,  261, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HN    21 SER  HN          1.800        5.280
 &rst iat= 286,  297, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HN    20 SER  HA          1.800        3.360
 &rst iat= 286,  288, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HN    20 SER  HB2         1.800        3.980
 &rst iat= 286,  290, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HN    20 SER  HB3         1.800        4.350
 &rst iat= 286,  291, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  19 PRO  HA    20 SER  HN          1.800        3.420
 &rst iat= 282,  286, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  21 SER  HN    21 SER  HA          1.800        3.920
 &rst iat= 297,  299, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  21 SER  HN    22 SER  HN          1.800        4.660
 &rst iat= 297,  308, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HA    21 SER  HN          1.800        3.950
 &rst iat= 288,  297, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  21 SER  HN    21 SER  HB2         1.800        3.700
 &rst iat= 297,  301, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HB2   21 SER  HN          1.800        5.250
 &rst iat= 290,  297, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HB3   21 SER  HN          1.800        5.500
 &rst iat= 291,  297, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HN    22 SER  HA          1.800        4.040
 &rst iat= 308,  310, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  21 SER  HA    22 SER  HN          1.800        4.200
 &rst iat= 299,  308, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HN    22 SER  HB2         1.800        4.540
 &rst iat= 308,  312, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HN    22 SER  HB3         1.800        4.290
 &rst iat= 308,  313, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HA    23 SER  HN          1.800        4.630
 &rst iat= 310,  319, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HN    23 SER  HB2         1.800        5.500
 &rst iat= 319,  323, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HN    23 SER  HB3         1.800        5.500
 &rst iat= 319,  324, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HN    25 TYR  HN          1.800        4.850
 &rst iat= 330,  344, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HN    24 ASN  HA          1.800        5.040
 &rst iat= 330,  332, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HN    24 ASN  HB2         1.800        4.850
 &rst iat= 330,  334, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HN    24 ASN  HB3         1.800        3.860
 &rst iat= 330,  335, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HN    25 TYR  HA          1.800        3.670
 &rst iat= 344,  346, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    25 TYR  HN          1.800        4.140
 &rst iat= 332,  344, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HN    25 TYR  HB2         1.800        3.390
 &rst iat= 344,  348, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HN    25 TYR  HB3         1.800        4.070
 &rst iat= 344,  349, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HN    26 CYSS HA          1.800        4.260
 &rst iat= 365,  367, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HB2   26 CYSS HN          1.800        4.510
 &rst iat= 348,  365, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    26 CYSS HN          1.800        5.500
 &rst iat= 346,  365, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HB3   26 CYSS HN          1.800        4.350
 &rst iat= 349,  365, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HN    26 CYSS HB2         1.800        4.070
 &rst iat= 365,  369, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    26 CYSS HN          1.800        4.070
 &rst iat= 332,  365, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HN    26 CYSS HB3         1.800        4.630
 &rst iat= 365,  370, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    27 ASN  HA          1.800        4.290
 &rst iat= 377,  379, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    27 ASN  HB2         1.800        4.040
 &rst iat= 377,  381, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB2   27 ASN  HN          1.800        4.600
 &rst iat= 369,  377, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    27 ASN  HN          1.800        4.480
 &rst iat= 332,  377, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB3   27 ASN  HN          1.800        5.190
 &rst iat= 370,  377, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    28 LEU  HN          1.800        3.760
 &rst iat= 377,  391, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    29 MET  HN          1.800        3.790
 &rst iat= 391,  410, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    28 LEU  HA          1.800        3.920
 &rst iat= 391,  393, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HA    28 LEU  HN          1.800        5.310
 &rst iat= 379,  391, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    28 LEU  HN          1.800        5.500
 &rst iat= 346,  391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    31 CYS  HB2         1.800        5.500
 &rst iat= 391,  452, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HB2   28 LEU  HN          1.800        3.450
 &rst iat= 381,  391, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    28 LEU  HB2         1.800        3.330
 &rst iat= 391,  395, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HN    29 MET  HA          1.800        4.720
 &rst iat= 410,  412, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    29 MET  HN          1.800        5.310
 &rst iat= 393,  410, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    29 MET  HN          1.800        5.440
 &rst iat= 367,  410, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    29 MET  HN          1.800        5.500
 &rst iat= 346,  410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HN    29 MET  HB2         1.800        4.230
 &rst iat= 410,  414, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HB2   29 MET  HN          1.800        3.580
 &rst iat= 395,  410, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HN    30 MET  HN          1.800        4.010
 &rst iat= 410,  429, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    31 CYS  HN          1.800        3.760
 &rst iat= 429,  448, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    30 MET  HN          1.800        5.500
 &rst iat= 391,  429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HN    32 CYS  HN          1.800        3.700
 &rst iat= 448,  461, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    30 MET  HA          1.800        4.510
 &rst iat= 429,  431, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HA    30 MET  HN          1.800        5.500
 &rst iat= 412,  429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    30 MET  HN          1.800        5.130
 &rst iat= 367,  429, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    31 CYS  HB3         1.800        5.470
 &rst iat= 429,  453, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    30 MET  HB2         1.800        3.610
 &rst iat= 429,  433, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    30 MET  HB3         1.800        4.540
 &rst iat= 429,  434, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HB2   30 MET  HN          1.800        4.540
 &rst iat= 414,  429, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB3   30 MET  HN          1.800        5.500
 &rst iat= 370,  429, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HN    31 CYS  HA          1.800        4.200
 &rst iat= 448,  450, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HA    31 CYS  HN          1.800        5.500
 &rst iat= 379,  448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HA    31 CYS  HN          1.800        5.500
 &rst iat= 431,  448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    31 CYS  HN          1.800        5.500
 &rst iat= 393,  448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HN    31 CYS  HB2         1.800        3.700
 &rst iat= 448,  452, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HN    31 CYS  HB3         1.800        4.100
 &rst iat= 448,  453, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HB2   31 CYS  HN          1.800        5.340
 &rst iat= 433,  448, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HB3   31 CYS  HN          1.800        5.500
 &rst iat= 434,  448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HN    33 ARG+ HN          1.800        4.040
 &rst iat= 461,  474, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HN    32 CYS  HA          1.800        4.200
 &rst iat= 461,  463, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HA    32 CYS  HN          1.800        5.500
 &rst iat= 450,  461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HA    32 CYS  HN          1.800        4.540
 &rst iat= 412,  461, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    32 CYS  HN          1.800        5.500
 &rst iat= 393,  461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HN    32 CYS  HB2         1.800        4.070
 &rst iat= 461,  465, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HN    32 CYS  HB3         1.800        3.890
 &rst iat= 461,  466, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HB2   32 CYS  HN          1.800        4.070
 &rst iat= 452,  461, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HN    33 ARG+ HN          1.800        5.500
 &rst iat= 448,  474, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HA          1.800        5.500
 &rst iat= 474,  476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HA    33 ARG+ HN          1.800        5.380
 &rst iat= 463,  474, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HA    33 ARG+ HN          1.800        5.500
 &rst iat= 412,  474, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HB3   33 ARG+ HN          1.800        5.100
 &rst iat= 466,  474, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HB2   33 ARG+ HN          1.800        5.100
 &rst iat= 465,  474, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HB2         1.800        4.660
 &rst iat= 474,  478, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HB3         1.800        4.290
 &rst iat= 474,  479, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    34 LYS+ HN          1.800        4.970
 &rst iat= 474,  498, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    34 LYS+ HA          1.800        3.270
 &rst iat= 498,  500, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    34 LYS+ HN          1.800        4.970
 &rst iat= 476,  498, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HA    34 LYS+ HN          1.800        5.160
 &rst iat= 450,  498, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    34 LYS+ HB2         1.800        5.100
 &rst iat= 498,  502, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    34 LYS+ HB3         1.800        4.820
 &rst iat= 498,  503, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HB2   34 LYS+ HN          1.800        5.500
 &rst iat= 478,  498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    35 MET  HN          1.800        4.350
 &rst iat= 498,  520, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    37 GLN  HN          1.800        5.410
 &rst iat= 520,  553, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    35 MET  HA          1.800        4.570
 &rst iat= 520,  522, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    35 MET  HN          1.800        4.450
 &rst iat= 500,  520, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB2   35 MET  HN          1.800        5.250
 &rst iat= 502,  520, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    35 MET  HB2         1.800        5.220
 &rst iat= 520,  524, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    35 MET  HB3         1.800        4.200
 &rst iat= 520,  525, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    36 THR  HN          1.800        3.330
 &rst iat= 520,  539, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HN    36 THR  HA          1.800        4.420
 &rst iat= 539,  541, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HN    36 THR  HB          1.800        5.220
 &rst iat= 539,  543, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HN    37 GLN  HA          1.800        5.500
 &rst iat= 539,  555, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    36 THR  HN          1.800        4.760
 &rst iat= 500,  539, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HN    37 GLN  HB2         1.800        5.500
 &rst iat= 539,  557, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HB2   36 THR  HN          1.800        4.940
 &rst iat= 524,  539, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HN    37 GLN  HN          1.800        3.450
 &rst iat= 539,  553, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HN    37 GLN  HA          1.800        4.040
 &rst iat= 553,  555, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    37 GLN  HN          1.800        4.260
 &rst iat= 541,  553, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    37 GLN  HN          1.800        5.500
 &rst iat= 500,  553, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HN    37 GLN  HB2         1.800        3.050
 &rst iat= 553,  557, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HN    38 GLY  HA2         1.800        4.600
 &rst iat= 570,  573, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HN    38 GLY  HA1         1.800        4.910
 &rst iat= 570,  572, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HA    38 GLY  HN          1.800        4.200
 &rst iat= 555,  570, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HB2   38 GLY  HN          1.800        5.500
 &rst iat= 557,  570, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HN    39 LYS+ HN          1.800        5.250
 &rst iat= 570,  577, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    40 CYSS HN          1.800        5.310
 &rst iat= 577,  599, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    39 LYS+ HA          1.800        3.920
 &rst iat= 577,  579, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HA2   39 LYS+ HN          1.800        4.790
 &rst iat= 573,  577, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HA1   39 LYS+ HN          1.800        4.290
 &rst iat= 572,  577, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HA    39 LYS+ HN          1.800        5.500
 &rst iat= 555,  577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    39 LYS+ HN          1.800        5.500
 &rst iat= 541,  577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HB2   39 LYS+ HN          1.800        5.500
 &rst iat= 557,  577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    39 LYS+ HB3         1.800        4.540
 &rst iat= 577,  582, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    39 LYS+ HB2         1.800        4.660
 &rst iat= 577,  581, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HN    40 CYSS HA          1.800        4.350
 &rst iat= 599,  601, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    40 CYSS HN          1.800        5.500
 &rst iat= 541,  599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    40 CYSS HN          1.800        3.610
 &rst iat= 579,  599, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HN    40 CYSS HB2         1.800        4.690
 &rst iat= 599,  603, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HN    40 CYSS HB3         1.800        3.610
 &rst iat= 599,  604, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB2   40 CYSS HN          1.800        4.350
 &rst iat= 581,  599, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB3   40 CYSS HN          1.800        3.860
 &rst iat= 582,  599, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HA    41 LYS+ HN          1.800        3.580
 &rst iat= 601,  611, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    41 LYS+ HN          1.800        4.910
 &rst iat= 541,  611, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HN    41 LYS+ HA          1.800        4.570
 &rst iat= 611,  613, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HB2   41 LYS+ HN          1.800        5.190
 &rst iat= 603,  611, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HN    41 LYS+ HB2         1.800        3.580
 &rst iat= 611,  615, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HN    43 VAL  HA          1.800        4.070
 &rst iat= 647,  649, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    43 VAL  HN          1.800        4.140
 &rst iat= 643,  647, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HN    43 VAL  HB          1.800        3.790
 &rst iat= 647,  651, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   43 VAL  HN          1.800        4.970
 &rst iat= 640,  647, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HN    44 ASN  HN          1.800        5.470
 &rst iat= 647,  663, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    44 ASN  HA          1.800        4.230
 &rst iat= 663,  665, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    44 ASN  HB2         1.800        5.220
 &rst iat= 663,  667, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    44 ASN  HB3         1.800        4.260
 &rst iat= 663,  668, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    83 ASP- HA          1.800        5.500
 &rst iat= 663, 1274, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    45 THR  HN          1.800        5.500
 &rst iat= 663,  677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HA    45 THR  HN          1.800        3.450
 &rst iat= 665,  677, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HN    45 THR  HB          1.800        4.200
 &rst iat= 677,  681, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB2   45 THR  HN          1.800        5.500
 &rst iat= 667,  677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    46 PHE  HB2         1.800        5.040
 &rst iat= 691,  695, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    81 ILE  HA          1.800        5.500
 &rst iat= 691, 1241, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HN    82 THR  HA          1.800        4.850
 &rst iat=1258, 1260, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HA    47 VAL  HN          1.800        3.920
 &rst iat= 693,  711, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HN    47 VAL  HA          1.800        5.000
 &rst iat= 711,  713, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HN    47 VAL  HB          1.800        3.950
 &rst iat= 711,  715, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    49 GLU- HN          1.800        4.820
 &rst iat= 727,  745, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    48 HIS+ HN          1.800        4.010
 &rst iat= 713,  727, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    81 ILE  HA          1.800        5.280
 &rst iat= 727, 1241, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    48 HIS+ HB3         1.800        5.410
 &rst iat= 727,  732, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    48 HIS+ HB2         1.800        5.470
 &rst iat= 727,  731, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    48 HIS+ HA          1.800        5.380
 &rst iat= 727,  729, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HA    49 GLU- HN          1.800        4.660
 &rst iat= 729,  745, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HN    49 GLU- HA          1.800        4.570
 &rst iat= 745,  747, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    49 GLU- HN          1.800        4.910
 &rst iat= 231,  745, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HN    49 GLU- HB2         1.800        4.290
 &rst iat= 745,  749, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HN    50 SER  HN          1.800        5.500
 &rst iat= 745,  760, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    51 LEU  HN          1.800        5.500
 &rst iat= 760,  771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    50 SER  HA          1.800        5.250
 &rst iat= 760,  762, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HA    50 SER  HN          1.800        3.520
 &rst iat= 747,  760, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    50 SER  HB3         1.800        4.140
 &rst iat= 760,  765, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    50 SER  HB2         1.800        5.500
 &rst iat= 760,  764, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    53 ASP- HB2         1.800        4.880
 &rst iat= 760,  804, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    53 ASP- HB3         1.800        5.500
 &rst iat= 760,  805, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB2   50 SER  HN          1.800        4.720
 &rst iat= 749,  760, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HN    52 ALA  HN          1.800        4.010
 &rst iat= 771,  790, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HN    53 ASP- HN          1.800        5.500
 &rst iat= 771,  800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HN    51 LEU  HA          1.800        3.980
 &rst iat= 771,  773, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HA    51 LEU  HN          1.800        3.420
 &rst iat= 762,  771, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HB2   14 ASP- HN          1.800        5.500
 &rst iat= 202,  217, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HN    51 LEU  HB2         1.800        3.480
 &rst iat= 771,  775, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    52 ALA  HN          1.800        4.420
 &rst iat= 773,  790, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HN    52 ALA  HA          1.800        3.420
 &rst iat= 790,  792, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HA    52 ALA  HN          1.800        5.500
 &rst iat= 762,  790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HB2   52 ALA  HN          1.800        5.000
 &rst iat= 764,  790, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HB2   52 ALA  HN          1.800        4.540
 &rst iat= 775,  790, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HN    53 ASP- HN          1.800        4.200
 &rst iat= 790,  800, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HN    55 LYS+ HN          1.800        5.500
 &rst iat= 800,  828, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HN    54 VAL  HN          1.800        5.500
 &rst iat= 790,  812, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HN    53 ASP- HA          1.800        4.010
 &rst iat= 800,  802, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    53 ASP- HN          1.800        4.880
 &rst iat= 792,  800, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HN    53 ASP- HB2         1.800        3.950
 &rst iat= 800,  804, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HA    53 ASP- HN          1.800        5.500
 &rst iat= 762,  800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    54 VAL  HN          1.800        4.690
 &rst iat= 773,  812, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HA    54 VAL  HN          1.800        5.100
 &rst iat= 802,  812, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HN    55 LYS+ HB2         1.800        5.500
 &rst iat= 812,  832, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HB3   54 VAL  HN          1.800        5.190
 &rst iat= 805,  812, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HB2   54 VAL  HN          1.800        4.820
 &rst iat= 804,  812, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HN    55 LYS+ HN          1.800        3.580
 &rst iat= 812,  828, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA    55 LYS+ HN          1.800        5.130
 &rst iat= 814,  828, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HB3         1.800        3.550
 &rst iat= 828,  833, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HN    56 ALA  HN          1.800        5.500
 &rst iat= 812,  850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    56 ALA  HN          1.800        3.550
 &rst iat= 828,  850, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  56 ALA  HN    56 ALA  HA          1.800        3.730
 &rst iat= 850,  852, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HA    56 ALA  HN          1.800        4.720
 &rst iat= 802,  850, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    56 ALA  HN          1.800        4.910
 &rst iat= 830,  850, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA    56 ALA  HN          1.800        5.500
 &rst iat= 814,  850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB3   56 ALA  HN          1.800        4.200
 &rst iat= 833,  850, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HN    58 CYSS HN          1.800        3.920
 &rst iat= 860,  876, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HN    59 SER  HN          1.800        5.500
 &rst iat= 860,  888, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    57 VAL  HN          1.800        5.500
 &rst iat= 828,  860, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HN    57 VAL  HB          1.800        3.080
 &rst iat= 860,  864, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  56 ALA  HA    57 VAL  HN          1.800        4.720
 &rst iat= 852,  860, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  56 ALA  HA    58 CYSS HN          1.800        5.440
 &rst iat= 852,  876, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    58 CYSS HN          1.800        5.500
 &rst iat= 830,  876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA    58 CYSS HN          1.800        5.500
 &rst iat= 814,  876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HN    58 CYSS HB3         1.800        3.790
 &rst iat= 876,  881, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HB    58 CYSS HN          1.800        4.570
 &rst iat= 864,  876, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HN    60 GLN  HN          1.800        3.520
 &rst iat= 888,  899, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HN    59 SER  HN          1.800        3.670
 &rst iat= 876,  888, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HN    59 SER  HA          1.800        3.980
 &rst iat= 888,  890, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    59 SER  HN          1.800        4.880
 &rst iat= 878,  888, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    59 SER  HN          1.800        4.910
 &rst iat= 862,  888, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  56 ALA  HA    59 SER  HN          1.800        4.820
 &rst iat= 852,  888, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HN    59 SER  HB2         1.800        4.320
 &rst iat= 888,  892, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HN    59 SER  HB3         1.800        4.480
 &rst iat= 888,  893, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HB2   59 SER  HN          1.800        4.820
 &rst iat= 880,  888, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HB3   59 SER  HN          1.800        5.250
 &rst iat= 881,  888, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HN    60 GLN  HB2         1.800        5.500
 &rst iat= 888,  903, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    61 LYS+ HN          1.800        4.790
 &rst iat= 899,  916, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HN    60 GLN  HN          1.800        5.340
 &rst iat= 876,  899, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HA    60 GLN  HN          1.800        3.860
 &rst iat= 890,  899, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HB3   60 GLN  HN          1.800        5.500
 &rst iat= 893,  899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    60 GLN  HN          1.800        5.500
 &rst iat= 878,  899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    60 GLN  HN          1.800        4.820
 &rst iat= 862,  899, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    60 GLN  HB2         1.800        3.330
 &rst iat= 899,  903, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HB3   60 GLN  HN          1.800        5.500
 &rst iat= 881,  899, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    62 LYS+ HN          1.800        5.500
 &rst iat= 916,  938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    74 GLN  HN          1.800        5.130
 &rst iat= 916, 1121, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    74 GLN  HN          1.800        5.500
 &rst iat= 960, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    76 LYS+ HN          1.800        5.500
 &rst iat= 916, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    61 LYS+ HA          1.800        4.450
 &rst iat= 916,  918, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HA    61 LYS+ HN          1.800        4.480
 &rst iat= 901,  916, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    61 LYS+ HB2         1.800        4.070
 &rst iat= 916,  920, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    61 LYS+ HB3         1.800        3.640
 &rst iat= 916,  921, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    61 LYS+ HN          1.800        5.500
 &rst iat= 862,  916, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB2   61 LYS+ HN          1.800        4.260
 &rst iat= 903,  916, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    62 LYS+ HA          1.800        3.730
 &rst iat= 938,  940, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HA    62 LYS+ HN          1.800        3.020
 &rst iat= 918,  938, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    62 LYS+ HB3         1.800        3.700
 &rst iat= 938,  943, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    62 LYS+ HB2         1.800        3.830
 &rst iat= 938,  942, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB2   62 LYS+ HN          1.800        5.500
 &rst iat= 920,  938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB3   62 LYS+ HN          1.800        5.160
 &rst iat= 921,  938, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    72 CYSS HN          1.800        5.500
 &rst iat= 960, 1088, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    63 VAL  HA          1.800        4.420
 &rst iat= 960,  962, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    73 TYR  HA          1.800        4.320
 &rst iat= 960, 1102, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    63 VAL  HB          1.800        5.040
 &rst iat= 960,  964, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB2   63 VAL  HN          1.800        4.540
 &rst iat= 942,  960, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HN    64 THR  HA          1.800        4.260
 &rst iat= 976,  978, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HA    64 THR  HN          1.800        3.610
 &rst iat= 962,  976, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HN    64 THR  HB          1.800        3.700
 &rst iat= 976,  980, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HB    64 THR  HN          1.800        3.050
 &rst iat= 964,  976, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HN    65 CYSS HN          1.800        5.500
 &rst iat= 976,  990, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    65 CYSS HA          1.800        4.320
 &rst iat= 990,  992, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    65 CYSS HB2         1.800        4.450
 &rst iat= 990,  994, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    65 CYSS HB3         1.800        3.830
 &rst iat= 990,  995, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HB    65 CYSS HN          1.800        5.070
 &rst iat= 980,  990, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HA    65 CYSS HN          1.800        3.520
 &rst iat= 978,  990, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    66 LYS+ HN          1.800        5.500
 &rst iat= 990, 1002, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HN    66 LYS+ HA          1.800        4.230
 &rst iat=1002, 1004, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HA    66 LYS+ HN          1.800        3.550
 &rst iat= 992, 1002, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB2   66 LYS+ HN          1.800        4.010
 &rst iat= 994, 1002, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB3   66 LYS+ HN          1.800        4.660
 &rst iat= 995, 1002, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HN    66 LYS+ HB2         1.800        4.170
 &rst iat=1002, 1006, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HN    66 LYS+ HB3         1.800        4.600
 &rst iat=1002, 1007, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    67 ASP- HN          1.800        5.500
 &rst iat= 990, 1024, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    68 GLY  HN          1.800        5.500
 &rst iat= 990, 1036, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HN    67 ASP- HN          1.800        4.230
 &rst iat=1002, 1024, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HN    67 ASP- HA          1.800        4.660
 &rst iat=1024, 1026, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HN    67 ASP- HB3         1.800        3.670
 &rst iat=1024, 1029, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HN    67 ASP- HB2         1.800        4.260
 &rst iat=1024, 1028, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    67 ASP- HN          1.800        4.720
 &rst iat=1004, 1024, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB2   67 ASP- HN          1.800        3.610
 &rst iat= 994, 1024, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB3   67 ASP- HN          1.800        4.380
 &rst iat= 995, 1024, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HB2   67 ASP- HN          1.800        4.570
 &rst iat=1006, 1024, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HB3   67 ASP- HN          1.800        4.720
 &rst iat=1007, 1024, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HN    68 GLY  HA1         1.800        3.700
 &rst iat=1036, 1038, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HN    68 GLY  HA2         1.800        3.360
 &rst iat=1036, 1039, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HA    68 GLY  HN          1.800        4.420
 &rst iat=1026, 1036, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    68 GLY  HN          1.800        5.250
 &rst iat=1004, 1036, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HB2   68 GLY  HN          1.800        5.500
 &rst iat=1028, 1036, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HN    69 GLN  HB2         1.800        5.500
 &rst iat=1036, 1047, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HN    69 GLN  HA          1.800        4.420
 &rst iat=1043, 1045, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HA2   69 GLN  HN          1.800        5.500
 &rst iat=1039, 1043, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HA1   69 GLN  HN          1.800        5.100
 &rst iat=1038, 1043, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HA    69 GLN  HN          1.800        5.500
 &rst iat=1026, 1043, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HN    69 GLN  HB2         1.800        4.170
 &rst iat=1043, 1047, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HN    69 GLN  HB3         1.800        3.950
 &rst iat=1043, 1048, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB3   69 GLN  HN          1.800        4.790
 &rst iat= 995, 1043, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HN    70 THR  HN          1.800        4.760
 &rst iat=1043, 1060, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HN    71 ASN  HN          1.800        5.250
 &rst iat=1060, 1074, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HN    70 THR  HA          1.800        5.280
 &rst iat=1060, 1062, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HA    70 THR  HN          1.800        4.350
 &rst iat=1045, 1060, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HN    70 THR  HB          1.800        4.100
 &rst iat=1060, 1064, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB2   70 THR  HN          1.800        4.510
 &rst iat=1047, 1060, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB3   70 THR  HN          1.800        5.500
 &rst iat=1048, 1060, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HN    72 CYSS HN          1.800        5.250
 &rst iat=1074, 1088, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HN    71 ASN  HA          1.800        4.600
 &rst iat=1074, 1076, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HA    71 ASN  HN          1.800        4.200
 &rst iat=1062, 1074, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HB    71 ASN  HN          1.800        4.940
 &rst iat=1064, 1074, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HN    71 ASN  HB2         1.800        4.850
 &rst iat=1074, 1078, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HN    71 ASN  HB3         1.800        5.160
 &rst iat=1074, 1079, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HN    72 CYSS HA          1.800        5.310
 &rst iat=1088, 1090, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HA    72 CYSS HN          1.800        3.920
 &rst iat=1076, 1088, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HN    72 CYSS HB2         1.800        5.500
 &rst iat=1088, 1092, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HN    72 CYSS HB3         1.800        5.190
 &rst iat=1088, 1093, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HA    73 TYR  HN          1.800        3.890
 &rst iat=1090, 1100, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HB2   73 TYR  HN          1.800        4.660
 &rst iat=1092, 1100, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HB3   73 TYR  HN          1.800        4.260
 &rst iat=1093, 1100, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HN    75 SER  HN          1.800        5.500
 &rst iat=1121, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HN   107 ILE  HA          1.800        5.500
 &rst iat=1121, 1651, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    74 GLN  HN          1.800        2.990
 &rst iat=1102, 1121, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB2   74 GLN  HN          1.800        4.850
 &rst iat=1104, 1121, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HN    74 GLN  HB3         1.800        3.890
 &rst iat=1121, 1126, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN    76 LYS+ HN          1.800        5.500
 &rst iat=1138, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN    75 SER  HA          1.800        4.540
 &rst iat=1138, 1140, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB2   75 SER  HN          1.800        4.200
 &rst iat=1125, 1138, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB3   75 SER  HN          1.800        5.500
 &rst iat=1126, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    77 SER  HN          1.800        3.640
 &rst iat=1149, 1171, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    76 LYS+ HA          1.800        3.920
 &rst iat=1149, 1151, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HA    76 LYS+ HN          1.800        3.300
 &rst iat=1140, 1149, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB2   76 LYS+ HN          1.800        4.690
 &rst iat=1142, 1149, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    76 LYS+ HB2         1.800        3.520
 &rst iat=1149, 1153, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HN    77 SER  HA          1.800        4.200
 &rst iat=1171, 1173, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HA    77 SER  HN          1.800        4.660
 &rst iat=1151, 1171, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HN    77 SER  HB3         1.800        3.730
 &rst iat=1171, 1176, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HN    77 SER  HB2         1.800        4.480
 &rst iat=1171, 1175, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HA    77 SER  HN          1.800        4.660
 &rst iat=1140, 1171, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB2   77 SER  HN          1.800        3.520
 &rst iat=1153, 1171, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HN    78 THR  HN          1.800        5.190
 &rst iat=1171, 1182, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HN    78 THR  HA          1.800        4.230
 &rst iat=1182, 1184, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HN    78 THR  HB          1.800        4.540
 &rst iat=1182, 1186, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HB3   78 THR  HN          1.800        4.350
 &rst iat=1176, 1182, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HB2   78 THR  HN          1.800        3.980
 &rst iat=1175, 1182, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HA    78 THR  HN          1.800        3.390
 &rst iat=1173, 1182, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   104 LYS+ HN          1.800        4.100
 &rst iat=1196, 1590, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    80 ARG+ HN          1.800        5.500
 &rst iat=1196, 1215, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HN    79 MET  HN          1.800        5.500
 &rst iat=1182, 1196, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   104 LYS+ HA          1.800        4.660
 &rst iat=1196, 1592, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    79 MET  HB2         1.800        4.200
 &rst iat=1196, 1200, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   105 HIS+ HA          1.800        5.040
 &rst iat=1196, 1614, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HN    80 ARG+ HA          1.800        4.880
 &rst iat=1215, 1217, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HA    80 ARG+ HN          1.800        3.450
 &rst iat=1198, 1215, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HN    80 ARG+ HB2         1.800        3.830
 &rst iat=1215, 1219, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN   104 LYS+ HN          1.800        5.410
 &rst iat=1239, 1590, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN    81 ILE  HA          1.800        4.970
 &rst iat=1239, 1241, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HA    81 ILE  HN          1.800        3.300
 &rst iat=1217, 1239, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   103 GLU- HA          1.800        4.260
 &rst iat=1575, 1577, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN    81 ILE  HB          1.800        4.600
 &rst iat=1239, 1243, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN    82 THR  HN          1.800        5.220
 &rst iat=1239, 1258, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HA    82 THR  HN          1.800        5.500
 &rst iat= 679, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN    84 CYSS HN          1.800        5.500
 &rst iat=1272, 1284, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN   102 VAL  HN          1.800        5.500
 &rst iat=1272, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN   100 THR  HN          1.800        4.820
 &rst iat=1272, 1528, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN    83 ASP- HA          1.800        3.450
 &rst iat=1272, 1274, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HN   101 GLN  HA          1.800        4.570
 &rst iat=1542, 1544, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN   101 GLN  HA          1.800        4.790
 &rst iat=1272, 1544, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN    83 ASP- HB2         1.800        4.910
 &rst iat=1272, 1276, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN    83 ASP- HB3         1.800        4.380
 &rst iat=1272, 1277, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HA    84 CYSS HN          1.800        3.420
 &rst iat=1274, 1284, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HA    84 CYSS HN          1.800        5.000
 &rst iat= 679, 1284, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HN    85 ARG+ HN          1.800        5.500
 &rst iat=1284, 1296, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    98 LYS+ HN          1.800        4.480
 &rst iat=1296, 1492, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HA    85 ARG+ HN          1.800        3.170
 &rst iat=1286, 1296, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    85 ARG+ HA          1.800        4.790
 &rst iat=1296, 1298, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    99 THR  HA          1.800        5.500
 &rst iat=1296, 1516, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    97 TYR  HA          1.800        5.500
 &rst iat=1296, 1473, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    85 ARG+ HB2         1.800        4.760
 &rst iat=1296, 1300, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    85 ARG+ HB3         1.800        4.540
 &rst iat=1296, 1301, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HB2   85 ARG+ HN          1.800        5.500
 &rst iat=1288, 1296, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HN    86 GLU- HA          1.800        4.420
 &rst iat=1320, 1322, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    86 GLU- HN          1.800        3.420
 &rst iat=1298, 1320, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HN    86 GLU- HB2         1.800        4.880
 &rst iat=1320, 1324, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   86 GLU- HN          1.800        4.260
 &rst iat=1300, 1320, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB3   86 GLU- HN          1.800        5.470
 &rst iat=1301, 1320, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HN    87 THR  HN          1.800        5.500
 &rst iat=1320, 1335, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    98 LYS+ HN          1.800        5.500
 &rst iat=1335, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    87 THR  HA          1.800        5.500
 &rst iat=1335, 1337, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HA    87 THR  HN          1.800        3.860
 &rst iat=1322, 1335, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  88 GLY  HN    88 GLY  HA1         1.800        3.670
 &rst iat=1349, 1351, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HB    88 GLY  HN          1.800        3.610
 &rst iat=1339, 1349, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HN    97 TYR  HA          1.800        4.910
 &rst iat=1471, 1473, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  96 ALA  HN    96 ALA  HA          1.800        3.920
 &rst iat=1461, 1463, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  96 ALA  HA    97 TYR  HN          1.800        3.170
 &rst iat=1463, 1471, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    97 TYR  HA          1.800        4.380
 &rst iat=1335, 1473, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    87 THR  HB          1.800        4.630
 &rst iat=1335, 1339, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    88 GLY  HA1         1.800        5.500
 &rst iat=1335, 1351, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB2   87 THR  HN          1.800        4.450
 &rst iat=1324, 1335, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB3   87 THR  HN          1.800        5.160
 &rst iat=1301, 1335, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  88 GLY  HN    89 SER  HN          1.800        4.630
 &rst iat=1349, 1356, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HN    90 SER  HN          1.800        3.480
 &rst iat=1356, 1367, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HN    89 SER  HA          1.800        4.010
 &rst iat=1356, 1358, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HN    89 SER  HB2         1.800        4.420
 &rst iat=1356, 1360, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HN    89 SER  HB3         1.800        5.340
 &rst iat=1356, 1361, r1=1.300, r2=1.800, r3=5.340, r4= 5.840,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  88 GLY  HA1   89 SER  HN          1.800        5.500
 &rst iat=1351, 1356, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    90 SER  HN          1.800        5.500
 &rst iat=1335, 1367, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HN    96 ALA  HN          1.800        5.500
 &rst iat=1367, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HN    91 LYS+ HN          1.800        5.500
 &rst iat=1367, 1378, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    96 ALA  HN          1.800        5.280
 &rst iat=1378, 1461, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HN    90 SER  HA          1.800        4.070
 &rst iat=1367, 1369, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HN    90 SER  HB2         1.800        3.920
 &rst iat=1367, 1371, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HN    90 SER  HB3         1.800        4.290
 &rst iat=1367, 1372, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HA    90 SER  HN          1.800        4.660
 &rst iat=1358, 1367, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB2   90 SER  HN          1.800        5.250
 &rst iat=1324, 1367, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    92 TYR  HN          1.800        5.500
 &rst iat=1378, 1400, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    91 LYS+ HA          1.800        3.700
 &rst iat=1378, 1380, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HA    91 LYS+ HN          1.800        3.420
 &rst iat=1369, 1378, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB2   91 LYS+ HN          1.800        5.220
 &rst iat=1371, 1378, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB3   91 LYS+ HN          1.800        5.500
 &rst iat=1372, 1378, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HA    96 ALA  HN          1.800        3.610
 &rst iat=1451, 1461, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    95 CYSS HA          1.800        4.790
 &rst iat=1378, 1451, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    91 LYS+ HB2         1.800        3.980
 &rst iat=1378, 1382, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    94 ASN  HB2         1.800        4.720
 &rst iat=1378, 1439, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HN    92 TYR  HA          1.800        4.170
 &rst iat=1400, 1402, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HA    92 TYR  HN          1.800        3.020
 &rst iat=1380, 1400, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HN    92 TYR  HB2         1.800        3.480
 &rst iat=1400, 1404, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HN    92 TYR  HB3         1.800        3.860
 &rst iat=1400, 1405, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HN    93 PRO  HA          1.800        5.500
 &rst iat=1400, 1431, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HB2   92 TYR  HN          1.800        4.760
 &rst iat=1382, 1400, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    94 ASN  HN          1.800        5.500
 &rst iat=1378, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HN    95 CYSS HN          1.800        4.820
 &rst iat=1435, 1449, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HN    94 ASN  HA          1.800        4.320
 &rst iat=1435, 1437, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HN    94 ASN  HB2         1.800        3.240
 &rst iat=1435, 1439, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HA    94 ASN  HN          1.800        4.630
 &rst iat=1431, 1435, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    94 ASN  HN          1.800        3.790
 &rst iat=1402, 1435, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HN    96 ALA  HN          1.800        5.500
 &rst iat=1449, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HN    95 CYSS HA          1.800        4.350
 &rst iat=1449, 1451, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HA    95 CYSS HN          1.800        3.330
 &rst iat=1437, 1449, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HN    95 CYSS HB2         1.800        4.480
 &rst iat=1449, 1453, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HN    95 CYSS HB3         1.800        4.010
 &rst iat=1449, 1454, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HB2   95 CYSS HN          1.800        4.690
 &rst iat=1439, 1449, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    95 CYSS HN          1.800        5.500
 &rst iat=1402, 1449, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HB2   95 CYSS HN          1.800        5.100
 &rst iat=1428, 1449, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HA    96 ALA  HN          1.800        5.130
 &rst iat=1369, 1461, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HB2   96 ALA  HN          1.800        4.290
 &rst iat=1453, 1461, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HB3   96 ALA  HN          1.800        5.040
 &rst iat=1454, 1461, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HN    97 TYR  HB2         1.800        4.820
 &rst iat=1471, 1475, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HN    97 TYR  HB3         1.800        4.510
 &rst iat=1471, 1476, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HA    97 TYR  HN          1.800        5.500
 &rst iat= 379, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HN    98 LYS+ HA          1.800        4.570
 &rst iat=1492, 1494, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HA    98 LYS+ HN          1.800        3.110
 &rst iat=1473, 1492, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HA    98 LYS+ HN          1.800        4.970
 &rst iat=1322, 1492, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HN    98 LYS+ HB2         1.800        4.070
 &rst iat=1492, 1496, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HN    98 LYS+ HB3         1.800        4.260
 &rst iat=1492, 1497, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB2   98 LYS+ HN          1.800        4.660
 &rst iat=1475, 1492, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB3   98 LYS+ HN          1.800        5.500
 &rst iat=1476, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HN    99 THR  HN          1.800        5.500
 &rst iat=1492, 1514, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  99 THR  HN   100 THR  HN          1.800        5.500
 &rst iat=1514, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  99 THR  HN    99 THR  HA          1.800        4.720
 &rst iat=1514, 1516, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    99 THR  HN          1.800        3.300
 &rst iat=1494, 1514, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  99 THR  HN    99 THR  HB          1.800        3.830
 &rst iat=1514, 1518, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB2   99 THR  HN          1.800        5.410
 &rst iat=1496, 1514, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB3   99 THR  HN          1.800        4.970
 &rst iat=1497, 1514, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 100 THR  HN   100 THR  HA          1.800        4.850
 &rst iat=1528, 1530, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HA   100 THR  HN          1.800        4.910
 &rst iat=1286, 1528, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  99 THR  HA   100 THR  HN          1.800        3.480
 &rst iat=1516, 1528, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 100 THR  HN   100 THR  HB          1.800        4.380
 &rst iat=1528, 1532, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HN   103 GLU- HN          1.800        5.500
 &rst iat=1559, 1575, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN   103 GLU- HN          1.800        5.500
 &rst iat=1239, 1575, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HN   102 VAL  HN          1.800        5.500
 &rst iat=1542, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HN   101 GLN  HB2         1.800        4.350
 &rst iat=1542, 1546, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HN   101 GLN  HB3         1.800        4.380
 &rst iat=1542, 1547, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 100 THR  HA   101 GLN  HN          1.800        3.480
 &rst iat=1530, 1542, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 100 THR  HB   101 GLN  HN          1.800        5.500
 &rst iat=1532, 1542, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HN   102 VAL  HB          1.800        4.660
 &rst iat=1559, 1563, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HA   102 VAL  HN          1.800        4.820
 &rst iat=1260, 1559, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HB3  102 VAL  HN          1.800        5.250
 &rst iat=1547, 1559, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HA   103 GLU- HN          1.800        2.930
 &rst iat=1561, 1575, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   103 GLU- HB2         1.800        3.830
 &rst iat=1575, 1579, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   103 GLU- HB3         1.800        4.720
 &rst iat=1575, 1580, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   104 LYS+ HN          1.800        5.500
 &rst iat=1575, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HA   104 LYS+ HN          1.800        5.500
 &rst iat=1217, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HA   104 LYS+ HN          1.800        5.500
 &rst iat=1198, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   104 LYS+ HB3         1.800        4.100
 &rst iat=1590, 1595, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   104 LYS+ HB2         1.800        5.100
 &rst iat=1590, 1594, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HB3  104 LYS+ HN          1.800        4.630
 &rst iat=1580, 1590, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   105 HIS+ HN          1.800        5.500
 &rst iat=1590, 1612, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   124 VAL  HN          1.800        4.630
 &rst iat=1612, 1884, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   105 HIS+ HA          1.800        4.760
 &rst iat=1612, 1614, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HA   105 HIS+ HN          1.800        3.300
 &rst iat=1592, 1612, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   105 HIS+ HB2         1.800        4.230
 &rst iat=1612, 1616, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   105 HIS+ HB3         1.800        4.320
 &rst iat=1612, 1617, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  105 HIS+ HN          1.800        3.790
 &rst iat=1594, 1612, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  105 HIS+ HN          1.800        4.230
 &rst iat=1595, 1612, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   106 ILE  HN          1.800        4.720
 &rst iat=1138, 1630, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HN   107 ILE  HN          1.800        5.410
 &rst iat=1630, 1649, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  106 ILE  HN          1.800        4.510
 &rst iat=1616, 1630, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA   106 ILE  HN          1.800        4.480
 &rst iat=1184, 1630, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HA   106 ILE  HN          1.800        5.500
 &rst iat=1140, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA   106 ILE  HN          1.800        5.500
 &rst iat=1123, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HN   106 ILE  HB          1.800        5.100
 &rst iat=1630, 1634, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   108 VAL  HN          1.800        5.500
 &rst iat=1649, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   107 ILE  HB          1.800        3.980
 &rst iat=1649, 1653, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HB   107 ILE  HN          1.800        4.260
 &rst iat=1634, 1649, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN   108 VAL  HN          1.800        5.310
 &rst iat=1100, 1668, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   108 VAL  HN          1.800        3.300
 &rst iat=1651, 1668, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HN   108 VAL  HB          1.800        4.880
 &rst iat=1668, 1672, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   108 VAL  HN          1.800        5.500
 &rst iat=1653, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HN   109 ALA  HN          1.800        5.500
 &rst iat=1668, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     8 PHE  HB3         1.800        5.500
 &rst iat=  82,  109, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     8 PHE  HB2         1.800        5.500
 &rst iat=  82,  108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HN   120 PHE  HA          1.800        5.500
 &rst iat=1684, 1833, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HN   110 CYSS HN          1.800        5.500
 &rst iat=1074, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HN   110 CYSS HA          1.800        4.790
 &rst iat=1694, 1696, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HA   110 CYSS HN          1.800        3.640
 &rst iat=1686, 1694, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HA   110 CYSS HN          1.800        5.500
 &rst iat=1090, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HN   109 ALA  HA          1.800        5.500
 &rst iat=1088, 1686, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HN   110 CYSS HB2         1.800        4.380
 &rst iat=1694, 1698, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HN   110 CYSS HB3         1.800        5.040
 &rst iat=1694, 1699, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   116 VAL  HN          1.800        3.550
 &rst iat=1706, 1767, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HN   111 GLY  HN          1.800        5.500
 &rst iat=1694, 1706, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   111 GLY  HA1         1.800        4.140
 &rst iat=1706, 1708, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   111 GLY  HA2         1.800        3.890
 &rst iat=1706, 1709, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   116 VAL  HA          1.800        5.500
 &rst iat=1706, 1769, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   111 GLY  HN          1.800        3.110
 &rst iat=1696, 1706, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HB2  111 GLY  HN          1.800        5.070
 &rst iat=1698, 1706, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HB3  111 GLY  HN          1.800        3.760
 &rst iat=1699, 1706, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HN   113 LYS+ HN          1.800        5.100
 &rst iat=1713, 1720, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   112 GLY  HN          1.800        5.500
 &rst iat=1706, 1713, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HN   112 GLY  HA2         1.800        3.360
 &rst iat=1713, 1716, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HN   112 GLY  HA1         1.800        3.450
 &rst iat=1713, 1715, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA1  112 GLY  HN          1.800        3.360
 &rst iat=1708, 1713, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HN   113 LYS+ HA          1.800        3.550
 &rst iat=1720, 1722, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HA1  113 LYS+ HN          1.800        3.670
 &rst iat=1715, 1720, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HA2  113 LYS+ HN          1.800        3.640
 &rst iat=1716, 1720, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HN   114 PRO  HA          1.800        5.500
 &rst iat=1720, 1752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HN   113 LYS+ HB2         1.800        3.580
 &rst iat=1720, 1724, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HN   116 VAL  HN          1.800        5.410
 &rst iat=1756, 1767, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HN   115 SER  HA          1.800        4.040
 &rst iat=1756, 1758, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HA   115 SER  HN          1.800        3.080
 &rst iat=1752, 1756, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HN   115 SER  HB2         1.800        3.920
 &rst iat=1756, 1760, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HN   115 SER  HB3         1.800        4.170
 &rst iat=1756, 1761, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  115 SER  HN          1.800        4.140
 &rst iat=1750, 1756, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB2  115 SER  HN          1.800        4.420
 &rst iat=1749, 1756, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB2  115 SER  HN          1.800        5.500
 &rst iat=1724, 1756, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HN   116 VAL  HA          1.800        4.570
 &rst iat=1767, 1769, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HA   116 VAL  HN          1.800        3.140
 &rst iat=1758, 1767, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HB2  116 VAL  HN          1.800        5.500
 &rst iat=1760, 1767, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HB3  116 VAL  HN          1.800        5.500
 &rst iat=1761, 1767, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HN   116 VAL  HB          1.800        5.440
 &rst iat=1767, 1771, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA1  116 VAL  HN          1.800        4.970
 &rst iat=1708, 1767, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HN   119 HIS+ HN          1.800        3.270
 &rst iat=1797, 1813, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   118 VAL  HN          1.800        5.500
 &rst iat=1706, 1797, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   116 VAL  HN          1.800        5.310
 &rst iat=1696, 1767, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HN   118 VAL  HA          1.800        3.640
 &rst iat=1797, 1799, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HN   119 HIS+ HB3         1.800        5.500
 &rst iat=1797, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB3  118 VAL  HN          1.800        5.500
 &rst iat=1791, 1797, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  118 VAL  HN          1.800        5.250
 &rst iat=1790, 1797, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HN   118 VAL  HB          1.800        5.500
 &rst iat=1797, 1801, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HN   119 HIS+ HN          1.800        4.570
 &rst iat=1684, 1813, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HN   119 HIS+ HA          1.800        4.630
 &rst iat=1813, 1815, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   119 HIS+ HN          1.800        4.760
 &rst iat=1696, 1813, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HA   119 HIS+ HN          1.800        5.130
 &rst iat=1799, 1813, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HN   119 HIS+ HB2         1.800        4.850
 &rst iat=1813, 1817, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HN   119 HIS+ HB3         1.800        3.890
 &rst iat=1813, 1818, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  119 HIS+ HN          1.800        5.500
 &rst iat=1790, 1813, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HN   122 ALA  HN          1.800        4.040
 &rst iat=1851, 1863, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HN   121 ASP- HA          1.800        5.040
 &rst iat=1851, 1853, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HA   121 ASP- HN          1.800        3.700
 &rst iat=1833, 1851, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HA   121 ASP- HN          1.800        3.980
 &rst iat=1670, 1851, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HA   121 ASP- HN          1.800        5.500
 &rst iat=1686, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HN   121 ASP- HB3         1.800        4.600
 &rst iat=1851, 1856, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HN   121 ASP- HB2         1.800        4.600
 &rst iat=1851, 1855, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   122 ALA  HN          1.800        4.690
 &rst iat=1649, 1863, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 122 ALA  HN   122 ALA  HA          1.800        4.260
 &rst iat=1863, 1865, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HA   122 ALA  HN          1.800        5.190
 &rst iat=1853, 1863, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HA   122 ALA  HN          1.800        5.500
 &rst iat=1670, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   122 ALA  HN          1.800        5.500
 &rst iat=1651, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HA   122 ALA  HN          1.800        5.500
 &rst iat=1833, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HB3  122 ALA  HN          1.800        4.690
 &rst iat=1856, 1863, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HB2  122 ALA  HN          1.800        4.350
 &rst iat=1855, 1863, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 122 ALA  HN   123 SER  HN          1.800        5.500
 &rst iat=1863, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HN   123 SER  HA          1.800        4.420
 &rst iat=1873, 1875, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   123 SER  HN          1.800        5.500
 &rst iat=1632, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 122 ALA  HA   123 SER  HN          1.800        3.640
 &rst iat=1865, 1873, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HN   123 SER  HB2         1.800        4.970
 &rst iat=1873, 1877, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HN   123 SER  HB3         1.800        5.000
 &rst iat=1873, 1878, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HN   124 VAL  HN          1.800        5.500
 &rst iat=1873, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 124 VAL  HN   124 VAL  HA          1.800        4.970
 &rst iat=1884, 1886, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   124 VAL  HN          1.800        5.220
 &rst iat=1632, 1884, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HA   124 VAL  HN          1.800        3.580
 &rst iat=1875, 1884, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HB2  124 VAL  HN          1.800        4.260
 &rst iat=1877, 1884, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HB3  124 VAL  HN          1.800        4.510
 &rst iat=1878, 1884, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 124 VAL  HN   124 VAL  HB          1.800        4.970
 &rst iat=1884, 1888, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HN     3 SER  HA          1.800        4.040
 &rst iat=  41,   43, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HN     3 SER  HB2         1.800        3.240
 &rst iat=  41,   45, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HN     3 SER  HB3         1.800        3.950
 &rst iat=  41,   46, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB2    3 SER  HN          1.800        5.500
 &rst iat=  30,   41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB3    3 SER  HN          1.800        5.000
 &rst iat=  31,   41, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN   118 VAL  HA          1.800        5.500
 &rst iat= 104, 1799, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     9 GLU- HN          1.800        5.500
 &rst iat=  84,  124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HN    10 ARG+ HB2         1.800        5.500
 &rst iat= 124,  143, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HN    12 HIS+ HB3         1.800        5.500
 &rst iat= 124,  185, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    12 HIS+ HN          1.800        5.500
 &rst iat= 139,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HA     5 ALA  HN          1.800        5.100
 &rst iat=  43,   62, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HB3    5 ALA  HN          1.800        5.500
 &rst iat=  46,   62, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HN    13 MET  HB2         1.800        5.500
 &rst iat= 180,  202, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HA    12 HIS+ HN          1.800        5.500
 &rst iat= 141,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HN    53 ASP- HN          1.800        5.500
 &rst iat= 760,  800, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    74 GLN  HN          1.800        5.500
 &rst iat= 938, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA2  112 GLY  HN          1.800        3.450
 &rst iat=1709, 1713, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HB3   34 LYS+ HN          1.800        5.500
 &rst iat= 466,  498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HN    48 HIS+ HA          1.800        5.220
 &rst iat= 240,  729, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    86 GLU- HN          1.800        5.500
 &rst iat= 649, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HB3    4 ALA  HN          1.800        4.510
 &rst iat=  46,   52, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HN     6 ALA  HN          1.800        5.220
 &rst iat=  41,   72, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HN    72 CYSS HN          1.800        5.500
 &rst iat= 990, 1088, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   6 ALA  HN     9 GLU- HN          1.800        5.500
 &rst iat=  72,  124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HN    10 ARG+ HN          1.800        3.830
 &rst iat= 124,  139, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     9 GLU- HN          1.800        5.500
 &rst iat=  82,  124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HN     9 GLU- HA          1.800        4.140
 &rst iat= 124,  126, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HB3   14 ASP- HN          1.800        5.500
 &rst iat= 203,  217, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    27 ASN  HN          1.800        5.500
 &rst iat= 367,  377, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HB3   41 LYS+ HN          1.800        5.500
 &rst iat= 604,  611, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB3   74 GLN  HN          1.800        5.040
 &rst iat=1105, 1121, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   107 ILE  HA          1.800        5.500
 &rst iat=1649, 1651, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    98 LYS+ HA          1.800        4.720
 &rst iat=1296, 1494, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    54 VAL  HN          1.800        5.220
 &rst iat= 792,  812, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB3   47 VAL  HN          1.800        5.500
 &rst iat= 696,  711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HN    39 LYS+ HN          1.800        5.500
 &rst iat= 553,  577, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB3   45 THR  HN          1.800        5.500
 &rst iat= 668,  677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    73 TYR  HN          1.800        5.500
 &rst iat= 960, 1100, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB2   56 ALA  HN          1.800        4.380
 &rst iat= 832,  850, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    28 LEU  HN          1.800        5.500
 &rst iat= 332,  391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    28 LEU  HN          1.800        5.500
 &rst iat= 367,  391, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    36 THR  HN          1.800        5.500
 &rst iat= 498,  539, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HA    88 GLY  HN          1.800        3.790
 &rst iat=1337, 1349, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HN     2 GLU- HG3         1.800        5.500
 &rst iat=  26,   34, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HN     2 GLU- HG2         1.800        5.500
 &rst iat=  26,   33, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     7 LYS+ HG2         1.800        4.420
 &rst iat=  82,   89, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HN     7 LYS+ HG3         1.800        5.500
 &rst iat=  82,   90, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HD1    9 GLU- HN          1.800        5.500
 &rst iat= 112,  124, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HG2    8 PHE  HN          1.800        5.500
 &rst iat=  89,  104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    10 ARG+ HG2         1.800        5.500
 &rst iat= 139,  146, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HD2   10 ARG+ HE          1.800        5.500
 &rst iat= 149,  152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HB2   10 ARG+ HE          1.800        5.500
 &rst iat= 143,  152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HB3   10 ARG+ HE          1.800        5.500
 &rst iat= 144,  152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HG2   10 ARG+ HE          1.800        5.500
 &rst iat= 146,  152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HD3   10 ARG+ HE          1.800        4.790
 &rst iat= 150,  152, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA    10 ARG+ HE          1.800        5.500
 &rst iat=  84,  152, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    11 GLN  HG3         1.800        4.910
 &rst iat= 163,  171, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HN    11 GLN  HG2         1.800        4.540
 &rst iat= 163,  170, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HG2   11 GLN  HN          1.800        5.500
 &rst iat= 146,  163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HN    13 MET  HG2         1.800        5.500
 &rst iat= 198,  205, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HD22  17 ASN  HD21        1.800        2.900
 &rst iat= 257,  256, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB2   17 ASN  HD21        1.800        5.500
 &rst iat= 251,  256, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB3   17 ASN  HD21        1.800        5.500
 &rst iat= 252,  256, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB2   17 ASN  HD22        1.800        5.500
 &rst iat= 251,  257, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HB3   17 ASN  HD22        1.800        5.500
 &rst iat= 252,  257, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HD21  24 ASN  HD22        1.800        2.710
 &rst iat= 339,  340, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HB2   24 ASN  HD21        1.800        5.500
 &rst iat= 334,  339, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HB3   24 ASN  HD21        1.800        5.500
 &rst iat= 335,  339, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HB2   24 ASN  HD22        1.800        5.500
 &rst iat= 334,  340, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HN    25 TYR  HD1         1.800        5.500
 &rst iat= 344,  352, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HD1   26 CYSS HN          1.800        5.500
 &rst iat= 352,  365, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HN    99 THR  HB          1.800        5.500
 &rst iat= 365, 1518, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    27 ASN  HD21        1.800        5.500
 &rst iat= 377,  386, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    27 ASN  HD22        1.800        5.500
 &rst iat= 377,  387, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HD22  27 ASN  HD21        1.800        3.140
 &rst iat= 387,  386, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HB2   27 ASN  HD21        1.800        5.100
 &rst iat= 381,  386, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HB2   27 ASN  HD22        1.800        5.500
 &rst iat= 381,  387, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HN    28 LEU  HG          1.800        5.500
 &rst iat= 391,  398, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HG    29 MET  HN          1.800        5.500
 &rst iat= 398,  410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    30 MET  HG2         1.800        4.600
 &rst iat= 429,  436, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HN    30 MET  HG3         1.800        5.220
 &rst iat= 429,  437, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HG2   31 CYS  HN          1.800        5.500
 &rst iat= 436,  448, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HG2         1.800        5.500
 &rst iat= 474,  481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HG3         1.800        5.500
 &rst iat= 474,  482, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HN    33 ARG+ HE          1.800        5.500
 &rst iat= 474,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HD2   33 ARG+ HE          1.800        5.500
 &rst iat= 484,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HD3   33 ARG+ HE          1.800        5.500
 &rst iat= 485,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    33 ARG+ HE          1.800        5.500
 &rst iat= 476,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HG3   33 ARG+ HE          1.800        5.500
 &rst iat= 482,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HG2   33 ARG+ HE          1.800        5.500
 &rst iat= 481,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HG3   33 ARG+ HE          1.800        5.500
 &rst iat= 418,  487, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    34 LYS+ HG3         1.800        5.500
 &rst iat= 498,  506, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HN    34 LYS+ HG2         1.800        5.500
 &rst iat= 498,  505, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HG3   34 LYS+ HN          1.800        5.500
 &rst iat= 482,  498, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HN    35 MET  HG2         1.800        5.500
 &rst iat= 520,  527, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HD3   36 THR  HN          1.800        5.500
 &rst iat= 509,  539, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HN    37 GLN  HG2         1.800        5.500
 &rst iat= 553,  560, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HE22  37 GLN  HE21        1.800        2.800
 &rst iat= 566,  565, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HG2   37 GLN  HE21        1.800        5.500
 &rst iat= 560,  565, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HG2   37 GLN  HE22        1.800        5.500
 &rst iat= 560,  566, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HN    92 TYR  HE1         1.800        5.500
 &rst iat= 570, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    92 TYR  HE1         1.800        5.500
 &rst iat= 577, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    92 TYR  HD1         1.800        5.500
 &rst iat= 577, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    39 LYS+ HG2         1.800        5.500
 &rst iat= 577,  584, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HN    39 LYS+ HG3         1.800        5.500
 &rst iat= 577,  585, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HN    92 TYR  HD1         1.800        5.500
 &rst iat= 599, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HN    92 TYR  HB2         1.800        5.500
 &rst iat= 599, 1404, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG2   40 CYSS HN          1.800        5.500
 &rst iat= 584,  599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG3   40 CYSS HN          1.800        5.500
 &rst iat= 585,  599, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HE21 101 GLN  HE22        1.800        3.360
 &rst iat=1554, 1555, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD2   43 VAL  HN          1.800        5.500
 &rst iat= 634,  647, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD3   43 VAL  HN          1.800        5.500
 &rst iat= 635,  647, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HG2   43 VAL  HN          1.800        5.220
 &rst iat= 637,  647, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    84 CYSS HB3         1.800        5.500
 &rst iat= 663, 1289, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HN    84 CYSS HB2         1.800        5.500
 &rst iat= 663, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HB2   45 THR  HN          1.800        5.500
 &rst iat= 184,  677, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    46 PHE  HD1         1.800        5.500
 &rst iat= 691,  699, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HD22  44 ASN  HD21        1.800        3.980
 &rst iat= 673,  672, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB2   44 ASN  HD21        1.800        5.500
 &rst iat= 667,  672, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB3   44 ASN  HD21        1.800        5.500
 &rst iat= 668,  672, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    82 THR  HB          1.800        5.500
 &rst iat= 691, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HD1   47 VAL  HN          1.800        5.500
 &rst iat= 699,  711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HN    79 MET  HB2         1.800        5.500
 &rst iat= 727, 1200, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HN    49 GLU- HG2         1.800        5.500
 &rst iat= 745,  752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HG2   50 SER  HN          1.800        5.040
 &rst iat= 752,  760, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HN    51 LEU  HG          1.800        5.500
 &rst iat= 771,  778, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HG2         1.800        4.600
 &rst iat= 828,  835, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG2   56 ALA  HN          1.800        5.500
 &rst iat= 835,  850, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HN    60 GLN  HG2         1.800        5.500
 &rst iat= 860,  906, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    73 TYR  HD1         1.800        5.500
 &rst iat= 899, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    73 TYR  HB2         1.800        5.500
 &rst iat= 899, 1104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    60 GLN  HG2         1.800        5.500
 &rst iat= 899,  906, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HN    73 TYR  HB3         1.800        5.500
 &rst iat= 899, 1105, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HD1   74 GLN  HN          1.800        5.500
 &rst iat=1108, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    61 LYS+ HG2         1.800        5.500
 &rst iat= 916,  923, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HN    61 LYS+ HG3         1.800        5.500
 &rst iat= 916,  924, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HG2   61 LYS+ HN          1.800        5.500
 &rst iat= 906,  916, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    73 TYR  HD1         1.800        5.500
 &rst iat= 938, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    62 LYS+ HG2         1.800        5.500
 &rst iat= 938,  945, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HN    62 LYS+ HG3         1.800        5.500
 &rst iat= 938,  946, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HG2   62 LYS+ HN          1.800        5.500
 &rst iat= 923,  938, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HN    73 TYR  HD1         1.800        5.500
 &rst iat= 960, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HG2   63 VAL  HN          1.800        5.500
 &rst iat= 945,  960, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HG3   63 VAL  HN          1.800        5.500
 &rst iat= 946,  960, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HN    66 LYS+ HG2         1.800        5.040
 &rst iat=1002, 1009, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HG2   67 ASP- HN          1.800        5.500
 &rst iat=1009, 1024, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HN    69 GLN  HG2         1.800        5.500
 &rst iat=1043, 1050, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HD22  71 ASN  HD21        1.800        3.110
 &rst iat=1084, 1083, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HB2   71 ASN  HD21        1.800        5.500
 &rst iat=1078, 1083, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HB3   71 ASN  HD21        1.800        5.500
 &rst iat=1079, 1083, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HB2   71 ASN  HD22        1.800        5.500
 &rst iat=1078, 1084, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN    73 TYR  HD1         1.800        5.500
 &rst iat=1100, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN    73 TYR  HE1         1.800        5.500
 &rst iat=1100, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HN    74 GLN  HG2         1.800        5.500
 &rst iat=1121, 1128, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HE21  74 GLN  HE22        1.800        3.020
 &rst iat=1133, 1134, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG2   74 GLN  HE21        1.800        5.500
 &rst iat=1128, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG2   74 GLN  HE22        1.800        5.500
 &rst iat=1128, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB2   74 GLN  HE21        1.800        5.500
 &rst iat=1125, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB3   74 GLN  HE21        1.800        5.500
 &rst iat=1126, 1133, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB2   74 GLN  HE22        1.800        5.500
 &rst iat=1125, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB3   74 GLN  HE22        1.800        5.500
 &rst iat=1126, 1134, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HE21 105 HIS+ HD2         1.800        5.500
 &rst iat=1133, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   105 HIS+ HB2         1.800        5.500
 &rst iat=1138, 1616, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG2   75 SER  HN          1.800        5.500
 &rst iat=1128, 1138, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   106 ILE  HG13        1.800        5.500
 &rst iat=1138, 1641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   107 ILE  HG12        1.800        5.500
 &rst iat=1138, 1659, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   106 ILE  HG12        1.800        5.500
 &rst iat=1138, 1640, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    77 SER  HG          1.800        5.500
 &rst iat=1149, 1178, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB2   76 LYS+ HN          1.800        5.500
 &rst iat= 903, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    76 LYS+ HG2         1.800        5.500
 &rst iat=1149, 1156, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HG2   77 SER  HN          1.800        5.500
 &rst iat=1156, 1171, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HN    77 SER  HG          1.800        5.500
 &rst iat=1171, 1178, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   103 GLU- HB3         1.800        5.500
 &rst iat=1196, 1580, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HN    80 ARG+ HE          1.800        5.500
 &rst iat=1215, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HN    80 ARG+ HG2         1.800        5.500
 &rst iat=1215, 1222, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HN    80 ARG+ HD2         1.800        5.500
 &rst iat=1215, 1225, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HD2   80 ARG+ HE          1.800        4.720
 &rst iat=1225, 1228, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HD3   80 ARG+ HE          1.800        5.500
 &rst iat=1226, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HG2   80 ARG+ HE          1.800        4.600
 &rst iat=1222, 1228, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HB2   80 ARG+ HE          1.800        5.500
 &rst iat=1219, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HG2   81 ILE  HN          1.800        5.500
 &rst iat=1222, 1239, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HG13  82 THR  HN          1.800        5.500
 &rst iat=1250, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HN   100 THR  HB          1.800        5.500
 &rst iat=1272, 1532, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HD2   82 THR  HN          1.800        5.500
 &rst iat= 741, 1258, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HB3   80 ARG+ HE          1.800        5.500
 &rst iat= 732, 1228, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    97 TYR  HE1         1.800        5.500
 &rst iat=1296, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    97 TYR  HD1         1.800        5.500
 &rst iat=1296, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HN    98 LYS+ HB3         1.800        5.500
 &rst iat=1296, 1497, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HD2   85 ARG+ HE          1.800        5.500
 &rst iat=1306, 1309, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB3   85 ARG+ HE          1.800        5.500
 &rst iat=1301, 1309, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HN    97 TYR  HE1         1.800        5.500
 &rst iat=1320, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HN    97 TYR  HD1         1.800        5.500
 &rst iat=1320, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   86 GLU- HN          1.800        5.500
 &rst iat= 640, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HG3   86 GLU- HN          1.800        5.500
 &rst iat=1304, 1320, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HN    97 TYR  HD1         1.800        5.500
 &rst iat=1335, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HN    91 LYS+ HG2         1.800        5.500
 &rst iat=1378, 1385, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HN    92 TYR  HD1         1.800        5.500
 &rst iat=1400, 1408, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HG2   92 TYR  HN          1.800        5.500
 &rst iat=1385, 1400, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HN    94 ASN  HD22        1.800        5.500
 &rst iat=1435, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HD22  94 ASN  HD21        1.800        2.800
 &rst iat=1445, 1444, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   94 ASN  HN          1.800        5.500
 &rst iat=1425, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD2   94 ASN  HN          1.800        5.500
 &rst iat=1422, 1435, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HB2   94 ASN  HD21        1.800        5.500
 &rst iat=1439, 1444, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HB2   94 ASN  HD22        1.800        5.500
 &rst iat=1439, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD2   94 ASN  HD21        1.800        5.500
 &rst iat=1422, 1444, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB2   96 ALA  HN          1.800        5.500
 &rst iat=1371, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB3   96 ALA  HN          1.800        5.500
 &rst iat=1372, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB2   96 ALA  HN          1.800        5.500
 &rst iat=1324, 1461, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HD22  97 TYR  HN          1.800        5.500
 &rst iat= 387, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HN    97 TYR  HD1         1.800        5.500
 &rst iat=1471, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HD21  97 TYR  HN          1.800        5.500
 &rst iat= 386, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB3   97 TYR  HN          1.800        5.500
 &rst iat= 370, 1471, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HD1   98 LYS+ HN          1.800        5.500
 &rst iat=1479, 1492, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HN    98 LYS+ HG3         1.800        5.500
 &rst iat=1492, 1500, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HG2   99 THR  HN          1.800        5.500
 &rst iat=1499, 1514, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HB2  100 THR  HN          1.800        5.500
 &rst iat=1276, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HB3  100 THR  HN          1.800        5.500
 &rst iat=1277, 1528, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HN   101 GLN  HG2         1.800        5.500
 &rst iat=1542, 1549, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HG12 102 VAL  HN          1.800        5.500
 &rst iat=1249, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HG2  102 VAL  HN          1.800        5.500
 &rst iat=1549, 1559, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   103 GLU- HG2         1.800        5.500
 &rst iat=1575, 1582, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HN   103 GLU- HG3         1.800        4.850
 &rst iat=1575, 1583, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   123 SER  HB2         1.800        5.500
 &rst iat=1590, 1877, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HG2  104 LYS+ HN          1.800        5.500
 &rst iat=1582, 1590, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   105 HIS+ HD2         1.800        5.500
 &rst iat=1612, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  105 HIS+ HN          1.800        5.500
 &rst iat=1597, 1612, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HN   105 HIS+ HE1         1.800        5.500
 &rst iat=1612, 1622, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HN   106 ILE  HG12        1.800        5.500
 &rst iat=1630, 1640, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HN   106 ILE  HG13        1.800        5.500
 &rst iat=1630, 1641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   120 PHE  HE1         1.800        5.500
 &rst iat=1649, 1841, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   107 ILE  HG12        1.800        5.500
 &rst iat=1649, 1659, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   107 ILE  HG13        1.800        5.500
 &rst iat=1649, 1660, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HG12 108 VAL  HN          1.800        5.500
 &rst iat=1659, 1668, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   109 ALA  HN          1.800        5.500
 &rst iat= 116, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG2    7 LYS+ HN          1.800        5.500
 &rst iat=  33,   82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HN   119 HIS+ HB3         1.800        5.500
 &rst iat=1684, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HN   119 HIS+ HB2         1.800        5.500
 &rst iat=1684, 1817, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HE1  110 CYSS HN          1.800        5.500
 &rst iat=1110, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HD1  110 CYSS HN          1.800        5.500
 &rst iat=1108, 1694, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HN   116 VAL  HB          1.800        5.500
 &rst iat=1706, 1771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HG3  115 SER  HN          1.800        5.500
 &rst iat=1747, 1756, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   119 HIS+ HN          1.800        5.500
 &rst iat= 116, 1813, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HB3  121 ASP- HN          1.800        5.500
 &rst iat=1093, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HD1  121 ASP- HN          1.800        5.500
 &rst iat=1839, 1851, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HE1  122 ALA  HN          1.800        5.500
 &rst iat=1841, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HD1  122 ALA  HN          1.800        5.500
 &rst iat=1839, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   122 ALA  HN          1.800        5.130
 &rst iat=1653, 1863, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HG13 122 ALA  HN          1.800        5.500
 &rst iat=1660, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HB   122 ALA  HN          1.800        5.500
 &rst iat=1634, 1863, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HE1  123 SER  HN          1.800        5.500
 &rst iat=1841, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   123 SER  HN          1.800        5.500
 &rst iat=1653, 1873, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  124 VAL  HN          1.800        5.500
 &rst iat=1616, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  124 VAL  HN          1.800        5.500
 &rst iat=1594, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  124 VAL  HN          1.800        5.500
 &rst iat=1595, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG2    3 SER  HN          1.800        5.500
 &rst iat=  33,   41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG3    6 ALA  HN          1.800        5.500
 &rst iat=  34,   72, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HN    10 ARG+ HD3         1.800        5.500
 &rst iat= 139,  150, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HN    76 LYS+ HD2         1.800        5.500
 &rst iat=1149, 1159, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HG3    8 PHE  HN          1.800        5.500
 &rst iat=  90,  104, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HD1   12 HIS+ HN          1.800        5.500
 &rst iat= 112,  180, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HE1   13 MET  HN          1.800        5.500
 &rst iat= 114,  198, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    97 TYR  HB2         1.800        5.500
 &rst iat= 377, 1475, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HG2   76 LYS+ HN          1.800        5.500
 &rst iat= 906, 1149, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   104 LYS+ HB3         1.800        5.500
 &rst iat=1196, 1595, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  124 VAL  HN          1.800        5.500
 &rst iat=1597, 1884, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG3    7 LYS+ HN          1.800        5.500
 &rst iat=  34,   82, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HE1  109 ALA  HN          1.800        5.500
 &rst iat= 114, 1684, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HN     8 PHE  HD1         1.800        5.500
 &rst iat= 104,  112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    47 VAL  HB          1.800        5.500
 &rst iat= 217,  715, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HB3   47 VAL  HN          1.800        5.500
 &rst iat= 185,  711, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HB2   41 LYS+ HN          1.800        5.500
 &rst iat= 524,  611, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HB3   35 MET  HN          1.800        5.500
 &rst iat= 434,  520, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HN    97 TYR  HB3         1.800        5.500
 &rst iat= 377, 1476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG3    3 SER  HN          1.800        5.500
 &rst iat=  34,   41, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HG    52 ALA  HN          1.800        5.500
 &rst iat= 778,  790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HD21  46 PHE  HE1         1.800        5.500
 &rst iat= 672,  701, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB2   60 GLN  HE22        1.800        5.500
 &rst iat= 903,  912, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HG3   11 GLN  HE22        1.800        5.500
 &rst iat=  90,  176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HE22  69 GLN  HE21        1.800        3.480
 &rst iat=1056, 1055, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HG2   69 GLN  HE21        1.800        5.500
 &rst iat=1050, 1055, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB2   69 GLN  HE21        1.800        5.500
 &rst iat=1047, 1055, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HE21  60 GLN  HE22        1.800        2.830
 &rst iat= 911,  912, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB2   60 GLN  HE21        1.800        5.500
 &rst iat= 903,  911, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HE22  11 GLN  HE21        1.800        4.070
 &rst iat= 176,  175, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HG3   11 GLN  HE22        1.800        5.500
 &rst iat= 171,  176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB3   11 GLN  HE22        1.800        5.500
 &rst iat= 168,  176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HG2  101 GLN  HE21        1.800        5.500
 &rst iat=1549, 1554, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HN     4 ALA  QB          1.800        4.920
 &rst iat=  52,   -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  52,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   5 ALA  HN     5 ALA  QB          1.800        4.360
 &rst iat=  62,   -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  62,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  66,   67,   68,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   4 ALA  QB     5 ALA  HN          1.800        5.440
 &rst iat=  -1,   62, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  62,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   6 ALA  HN     6 ALA  QB          1.800        4.670
 &rst iat=  72,   -1, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  72,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  76,   77,   78,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   5 ALA  QB     6 ALA  HN          1.800        5.690
 &rst iat=  -1,   72, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  66,   67,   68,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  72,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    15 SER  HN          1.800        6.530
 &rst iat=  -1,  229, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 229,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HN    99 THR  QG2         1.800        6.530
 &rst iat= 344,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 344,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  HN    28 LEU  QD1         1.800        6.530
 &rst iat= 391,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 391,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  QD1   29 MET  HN          1.800        6.530
 &rst iat=  -1,  410, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 410,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  QD1   32 CYS  HN          1.800        6.530
 &rst iat=  -1,  461, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 461,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  35 MET  HN    36 THR  QG2         1.800        6.530
 &rst iat= 520,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 520,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  36 THR  HN    36 THR  QG2         1.800        6.530
 &rst iat= 539,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 539,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  36 THR  QG2   37 GLN  HN          1.800        6.530
 &rst iat=  -1,  553, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 553,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  36 THR  QG2   41 LYS+ HN          1.800        6.530
 &rst iat=  -1,  611, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 611,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  HN    43 VAL  QG1         1.800        6.310
 &rst iat= 647,   -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 647,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   44 ASN  HN          1.800        6.530
 &rst iat=  -1,  663, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 663,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  HN    45 THR  QG2         1.800        6.530
 &rst iat= 677,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 677,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  46 PHE  HN    82 THR  QG2         1.800        6.530
 &rst iat= 691,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 691,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  82 THR  HN    82 THR  QG2         1.800        6.530
 &rst iat=1258,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1258,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HN    47 VAL  QG1         1.800        6.530
 &rst iat= 711,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 711,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HN    47 VAL  QG2         1.800        6.530
 &rst iat= 711,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 711,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   47 VAL  HN          1.800        6.530
 &rst iat=  -1,  711, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 711,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG1   48 HIS+ HN          1.800        6.530
 &rst iat=  -1,  727, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 727,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG2   48 HIS+ HN          1.800        6.530
 &rst iat=  -1,  727, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 727,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  48 HIS+ HN    81 ILE  QG2         1.800        6.530
 &rst iat= 727,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 727,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    49 GLU- HN          1.800        6.530
 &rst iat=  -1,  745, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 745,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG1   49 GLU- HN          1.800        5.540
 &rst iat=  -1,  745, r1=1.300, r2=1.800, r3=5.540, r4= 6.040,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 745,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HN    51 LEU  QD2         1.800        6.530
 &rst iat= 771,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 771,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  52 ALA  HN    52 ALA  QB          1.800        4.950
 &rst iat= 790,   -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 790,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 794,  795,  796,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HN    51 LEU  QD1         1.800        6.530
 &rst iat= 771,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 771,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 780,  781,  782,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  QD1   52 ALA  HN          1.800        6.530
 &rst iat=  -1,  790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 780,  781,  782,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 790,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  QD2   52 ALA  HN          1.800        6.530
 &rst iat=  -1,  790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 790,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  52 ALA  QB    53 ASP- HN          1.800        5.910
 &rst iat=  -1,  800, r1=1.300, r2=1.800, r3=5.910, r4= 6.410,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 794,  795,  796,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 800,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  53 ASP- HN    54 VAL  QG1         1.800        6.530
 &rst iat= 800,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 800,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HN    54 VAL  QG1         1.800        4.980
 &rst iat= 812,   -1, r1=1.300, r2=1.800, r3=4.980, r4= 5.480,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 812,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  52 ALA  QB    54 VAL  HN          1.800        6.530
 &rst iat=  -1,  812, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 794,  795,  796,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 812,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HN    56 ALA  QB          1.800        6.530
 &rst iat= 812,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 812,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    54 VAL  HN          1.800        6.530
 &rst iat=  -1,  812, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 812,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  55 LYS+ HN    56 ALA  QB          1.800        6.530
 &rst iat= 828,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 828,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  56 ALA  HN    56 ALA  QB          1.800        4.880
 &rst iat= 850,   -1, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 850,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  56 ALA  QB    57 VAL  HN          1.800        6.430
 &rst iat=  -1,  860, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 860,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG2   58 CYSS HN          1.800        6.530
 &rst iat=  -1,  876, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 876,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  62 LYS+ HN    63 VAL  QG1         1.800        6.530
 &rst iat= 938,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 938,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HN    63 VAL  QG1         1.800        6.530
 &rst iat= 960,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 960,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HN    63 VAL  QG2         1.800        5.440
 &rst iat= 960,   -1, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 960,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   73 TYR  HN          1.800        6.530
 &rst iat=  -1, 1100, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1100,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  HN    64 THR  QG2         1.800        6.530
 &rst iat= 976,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 976,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   64 THR  HN          1.800        6.530
 &rst iat=  -1,  976, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 976,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   64 THR  HN          1.800        6.530
 &rst iat=  -1,  976, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 976,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   65 CYSS HN          1.800        6.530
 &rst iat=  -1,  990, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 990,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   68 GLY  HN          1.800        6.530
 &rst iat=  -1, 1036, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1036,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   69 GLN  HN          1.800        6.530
 &rst iat=  -1, 1043, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1043,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  70 THR  HN    70 THR  QG2         1.800        6.530
 &rst iat=1060,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1060,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1066, 1067, 1068,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  70 THR  QG2   71 ASN  HN          1.800        6.530
 &rst iat=  -1, 1074, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1066, 1067, 1068,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1074,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  73 TYR  HN   107 ILE  QG2         1.800        6.530
 &rst iat=1100,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1100,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   74 GLN  HN          1.800        6.220
 &rst iat=  -1, 1121, r1=1.300, r2=1.800, r3=6.220, r4= 6.720,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1121,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  74 GLN  HE21 107 ILE  QD1         1.800        6.530
 &rst iat=1133,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1133,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  74 GLN  HE22 107 ILE  QD1         1.800        6.530
 &rst iat=1134,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1134,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  75 SER  HN   107 ILE  QD1         1.800        6.400
 &rst iat=1138,   -1, r1=1.300, r2=1.800, r3=6.400, r4= 6.900,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1138,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  75 SER  HN   106 ILE  QG2         1.800        6.530
 &rst iat=1138,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1138,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   75 SER  HN          1.800        6.530
 &rst iat=  -1, 1138, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1138,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   76 LYS+ HN          1.800        6.530
 &rst iat=  -1, 1149, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1149,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG2   76 LYS+ HN          1.800        6.530
 &rst iat=  -1, 1149, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1149,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  HN    78 THR  QG2         1.800        5.320
 &rst iat=1182,   -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1182,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  HN    81 ILE  QG2         1.800        6.530
 &rst iat=1239,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1239,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  HN    81 ILE  QD1         1.800        6.530
 &rst iat=1239,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1239,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1252, 1253, 1254,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   82 THR  HN          1.800        6.530
 &rst iat=  -1, 1258, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1258,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  82 THR  QG2   83 ASP- HN          1.800        6.400
 &rst iat=  -1, 1272, r1=1.300, r2=1.800, r3=6.400, r4= 6.900,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1272,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  83 ASP- HN   102 VAL  QG2         1.800        6.530
 &rst iat=1272,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1272,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   84 CYSS HN          1.800        6.530
 &rst iat=  -1, 1284, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1284,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   85 ARG+ HE          1.800        6.530
 &rst iat=  -1, 1309, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1309,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   86 GLU- HN          1.800        6.530
 &rst iat=  -1, 1320, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1320,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  HN    87 THR  QG2         1.800        5.940
 &rst iat=1335,   -1, r1=1.300, r2=1.800, r3=5.940, r4= 6.440,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1335,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   88 GLY  HN          1.800        6.530
 &rst iat=  -1, 1349, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1349,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   89 SER  HN          1.800        6.530
 &rst iat=  -1, 1356, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1356,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  91 LYS+ HN    96 ALA  QB          1.800        6.530
 &rst iat=1378,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1378,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  96 ALA  HN    96 ALA  QB          1.800        6.120
 &rst iat=1461,   -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1461,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  96 ALA  QB    97 TYR  HN          1.800        6.530
 &rst iat=  -1, 1471, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1471,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   98 LYS+ HN          1.800        6.530
 &rst iat=  -1, 1492, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1492,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  99 THR  HN    99 THR  QG2         1.800        6.530
 &rst iat=1514,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1514,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  HN   100 THR  QG2         1.800        6.530
 &rst iat=1528,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1528,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  99 THR  QG2  100 THR  HN          1.800        6.530
 &rst iat=  -1, 1528, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1528,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  QG2  101 GLN  HN          1.800        6.530
 &rst iat=  -1, 1542, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1542,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HN   102 VAL  QG2         1.800        6.470
 &rst iat=1559,   -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1559,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  QG1  103 GLU- HN          1.800        6.530
 &rst iat=  -1, 1575, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1575,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  QG2  103 GLU- HN          1.800        6.530
 &rst iat=  -1, 1575, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1575,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 105 HIS+ HN   124 VAL  QG2         1.800        6.530
 &rst iat=1612,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1612,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1894, 1895, 1896,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  HN   106 ILE  QD1         1.800        6.530
 &rst iat=1630,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1630,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1643, 1644, 1645,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  HN   107 ILE  QD1         1.800        6.530
 &rst iat=1630,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1630,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  HN   107 ILE  QD1         1.800        6.310
 &rst iat=1649,   -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1649,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  HN   107 ILE  QG2         1.800        6.530
 &rst iat=1649,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1649,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   110 CYSS HN          1.800        6.280
 &rst iat=  -1, 1694, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1694,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  110 CYSS HN          1.800        6.530
 &rst iat=  -1, 1694, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1694,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HN   118 VAL  QG1         1.800        6.280
 &rst iat=1706,   -1, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1706,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HN   118 VAL  QG2         1.800        6.000
 &rst iat=1706,   -1, r1=1.300, r2=1.800, r3=6.000, r4= 6.500,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1706,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  HN   116 VAL  QG1         1.800        5.040
 &rst iat=1767,   -1, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1767,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   118 VAL  HN          1.800        6.530
 &rst iat=  -1, 1797, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1797,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  HN   118 VAL  QG2         1.800        5.660
 &rst iat=1797,   -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1797,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG1  119 HIS+ HN          1.800        6.530
 &rst iat=  -1, 1813, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1813,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG2  119 HIS+ HN          1.800        6.530
 &rst iat=  -1, 1813, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1813,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   121 ASP- HN          1.800        6.530
 &rst iat=  -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1851,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  121 ASP- HN          1.800        6.530
 &rst iat=  -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1851,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  121 ASP- HN          1.800        6.530
 &rst iat=  -1, 1851, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1851,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 122 ALA  HN   122 ALA  QB          1.800        6.530
 &rst iat=1863,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1863,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1867, 1868, 1869,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  122 ALA  HN          1.800        6.530
 &rst iat=  -1, 1863, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1863,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QD1  122 ALA  HN          1.800        6.530
 &rst iat=  -1, 1863, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1863,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 122 ALA  QB   123 SER  HN          1.800        5.130
 &rst iat=  -1, 1873, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1867, 1868, 1869,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1873,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QD1  123 SER  HN          1.800        6.530
 &rst iat=  -1, 1873, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1662, 1663, 1664,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1873,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 124 VAL  HN   124 VAL  QG1         1.800        6.090
 &rst iat=1884,   -1, r1=1.300, r2=1.800, r3=6.090, r4= 6.590,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1884,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1890, 1891, 1892,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 124 VAL  HN   124 VAL  QG2         1.800        6.280
 &rst iat=1884,   -1, r1=1.300, r2=1.800, r3=6.280, r4= 6.780,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1884,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1894, 1895, 1896,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   3 SER  HN     4 ALA  QB          1.800        6.120
 &rst iat=  41,   -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  41,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   4 ALA  HN     5 ALA  QB          1.800        6.530
 &rst iat=  52,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  52,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  66,   67,   68,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  79 MET  HN   106 ILE  QG2         1.800        6.530
 &rst iat=1196,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1196,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QG2  124 VAL  HN          1.800        6.530
 &rst iat=  -1, 1884, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1884,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   5 ALA  HN   118 VAL  QG1         1.800        6.530
 &rst iat=  62,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  62,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    50 SER  HN          1.800        6.530
 &rst iat=  -1,  760, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 760,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  26 CYSS HN    99 THR  QG2         1.800        6.530
 &rst iat= 365,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 365,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HN    81 ILE  QG2         1.800        6.530
 &rst iat= 711,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 711,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   2 GLU- HA     2 GLU- HB3         1.800        3.450
 &rst iat=  28,   31, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HA     2 GLU- HB2         1.800        3.450
 &rst iat=  28,   30, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HA     3 SER  HB3         1.800        2.770
 &rst iat=  43,   46, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  89 SER  HA    89 SER  HB3         1.800        2.550
 &rst iat=1358, 1361, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HA     3 SER  HB2         1.800        2.830
 &rst iat=  43,   45, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HA     7 LYS+ HB3         1.800        3.210
 &rst iat=  54,   87, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     7 LYS+ HB3         1.800        3.080
 &rst iat=  84,   87, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     7 LYS+ HB2         1.800        2.860
 &rst iat=  84,   86, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA     9 GLU- HB3         1.800        2.830
 &rst iat= 126,  129, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA     9 GLU- HB2         1.800        3.270
 &rst iat= 126,  128, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HB3   10 ARG+ HA          1.800        3.550
 &rst iat= 129,  141, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HA    11 GLN  HB3         1.800        3.450
 &rst iat= 165,  168, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HA    11 GLN  HB2         1.800        3.170
 &rst iat= 165,  167, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HA    12 HIS+ HB3         1.800        3.110
 &rst iat= 182,  185, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HA    12 HIS+ HB2         1.800        3.390
 &rst iat= 182,  184, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HA    47 VAL  HN          1.800        5.410
 &rst iat= 182,  711, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    13 MET  HB3         1.800        3.390
 &rst iat= 200,  203, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    13 MET  HB2         1.800        3.330
 &rst iat= 200,  202, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    47 VAL  HA          1.800        5.470
 &rst iat= 200,  713, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    47 VAL  HN          1.800        3.830
 &rst iat= 200,  711, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HN    14 ASP- HA          1.800        2.830
 &rst iat= 217,  219, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HA    14 ASP- HB2         1.800        3.110
 &rst iat= 219,  221, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    15 SER  HB3         1.800        2.800
 &rst iat= 231,  234, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    15 SER  HB2         1.800        3.140
 &rst iat= 231,  233, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  16 GLY  HA2   16 GLY  HA1         1.800        2.520
 &rst iat= 243,  242, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  17 ASN  HA    17 ASN  HB2         1.800        2.590
 &rst iat= 249,  251, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  18 SER  HA    18 SER  HB2         1.800        5.190
 &rst iat= 263,  265, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  19 PRO  HB3   19 PRO  HA          1.800        2.960
 &rst iat= 280,  282, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  19 PRO  HB2   19 PRO  HA          1.800        3.300
 &rst iat= 279,  282, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HA    20 SER  HB3         1.800        2.800
 &rst iat= 288,  291, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HA    20 SER  HB2         1.800        2.830
 &rst iat= 288,  290, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  21 SER  HA    21 SER  HB2         1.800        2.520
 &rst iat= 299,  301, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HB2   21 SER  HA          1.800        4.320
 &rst iat= 290,  299, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HA    22 SER  HB2         1.800        2.960
 &rst iat= 310,  312, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HA    22 SER  HB3         1.800        3.520
 &rst iat= 310,  313, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HA    23 SER  HB3         1.800        2.860
 &rst iat= 321,  324, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HA    23 SER  HB2         1.800        2.740
 &rst iat= 321,  323, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    24 ASN  HB2         1.800        2.860
 &rst iat= 332,  334, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HA    24 ASN  HB3         1.800        2.800
 &rst iat= 332,  335, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    25 TYR  HB2         1.800        3.050
 &rst iat= 346,  348, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    25 TYR  HB3         1.800        3.450
 &rst iat= 346,  349, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    28 LEU  HB2         1.800        3.390
 &rst iat= 346,  395, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    29 MET  HB3         1.800        4.880
 &rst iat= 367,  415, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    26 CYSS HB2         1.800        3.760
 &rst iat= 367,  369, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    26 CYSS HB3         1.800        3.830
 &rst iat= 367,  370, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    28 LEU  HB3         1.800        3.050
 &rst iat= 393,  396, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    28 LEU  HB2         1.800        2.860
 &rst iat= 393,  395, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HB2   28 LEU  HA          1.800        4.200
 &rst iat= 381,  393, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    31 CYS  HB3         1.800        4.200
 &rst iat= 393,  453, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HB3   29 MET  HN          1.800        5.500
 &rst iat= 396,  410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HN    29 MET  HB3         1.800        4.660
 &rst iat= 410,  415, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HA    31 CYS  HB3         1.800        3.520
 &rst iat= 450,  453, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HA    31 CYS  HB2         1.800        3.640
 &rst iat= 450,  452, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HA    32 CYS  HB3         1.800        3.080
 &rst iat= 463,  466, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HA    32 CYS  HB2         1.800        3.080
 &rst iat= 463,  465, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HA    32 CYS  HB3         1.800        4.420
 &rst iat= 412,  466, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HA    32 CYS  HB2         1.800        5.100
 &rst iat= 412,  465, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    33 ARG+ HB2         1.800        3.760
 &rst iat= 476,  478, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    34 LYS+ HB2         1.800        5.380
 &rst iat= 476,  502, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    33 ARG+ HB3         1.800        3.520
 &rst iat= 476,  479, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    34 LYS+ HB3         1.800        2.960
 &rst iat= 500,  503, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    34 LYS+ HB2         1.800        3.240
 &rst iat= 500,  502, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HA    35 MET  HB3         1.800        3.270
 &rst iat= 522,  525, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HA    35 MET  HB2         1.800        4.170
 &rst iat= 522,  524, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    36 THR  HB          1.800        2.650
 &rst iat= 541,  543, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    40 CYSS HB2         1.800        5.070
 &rst iat= 541,  603, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    40 CYSS HB3         1.800        5.280
 &rst iat= 541,  604, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HA    43 VAL  HN          1.800        3.730
 &rst iat= 613,  647, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HA    60 GLN  HB3         1.800        2.860
 &rst iat= 901,  904, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HA    41 LYS+ HB2         1.800        2.860
 &rst iat= 613,  615, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HA    37 GLN  HB2         1.800        2.960
 &rst iat= 555,  557, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HA2   38 GLY  HA1         1.800        2.740
 &rst iat= 573,  572, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    39 LYS+ HB3         1.800        2.830
 &rst iat= 579,  582, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    39 LYS+ HB2         1.800        2.860
 &rst iat= 579,  581, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    40 CYSS HB3         1.800        4.630
 &rst iat= 579,  604, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HA    40 CYSS HB2         1.800        3.240
 &rst iat= 601,  603, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HA    41 LYS+ HB3         1.800        2.900
 &rst iat= 613,  616, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    86 GLU- HA          1.800        5.070
 &rst iat= 643, 1322, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   42 PRO  HA          1.800        2.740
 &rst iat= 640,  643, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB3   42 PRO  HA          1.800        2.710
 &rst iat= 641,  643, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HA    82 THR  HA          1.800        4.380
 &rst iat=1241, 1260, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    81 ILE  HA          1.800        3.020
 &rst iat= 713, 1241, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    43 VAL  HB          1.800        2.900
 &rst iat= 649,  651, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HA    81 ILE  HB          1.800        2.960
 &rst iat=1241, 1243, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    44 ASN  HN          1.800        3.390
 &rst iat= 649,  663, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HB2   95 CYSS HA          1.800        4.760
 &rst iat=1404, 1451, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HA   104 LYS+ HB3         1.800        2.960
 &rst iat=1592, 1595, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HA    44 ASN  HB2         1.800        3.330
 &rst iat= 665,  667, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HA   104 LYS+ HB2         1.800        2.830
 &rst iat=1592, 1594, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HN    44 ASN  HA          1.800        5.440
 &rst iat= 647,  665, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   104 LYS+ HA          1.800        3.210
 &rst iat=1590, 1592, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HA    44 ASN  HB3         1.800        3.240
 &rst iat= 665,  668, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HA    45 THR  HB          1.800        3.550
 &rst iat= 679,  681, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HN    45 THR  HA          1.800        3.980
 &rst iat= 677,  679, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HA    46 PHE  HN          1.800        2.990
 &rst iat= 679,  691, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HA    46 PHE  HB2         1.800        4.850
 &rst iat= 693,  695, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HA    46 PHE  HB3         1.800        3.420
 &rst iat= 693,  696, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    46 PHE  HA          1.800        3.170
 &rst iat= 691,  693, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HN    46 PHE  HB3         1.800        3.890
 &rst iat= 691,  696, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    47 VAL  HB          1.800        3.520
 &rst iat= 713,  715, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    82 THR  HN          1.800        4.450
 &rst iat= 713, 1258, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    48 HIS+ HA          1.800        3.080
 &rst iat= 231,  729, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HA    48 HIS+ HB2         1.800        3.240
 &rst iat= 729,  731, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HA    48 HIS+ HB3         1.800        3.700
 &rst iat= 729,  732, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HA    49 GLU- HB3         1.800        4.600
 &rst iat= 747,  750, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HA    50 SER  HB2         1.800        2.990
 &rst iat= 762,  764, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    54 VAL  HB          1.800        3.080
 &rst iat= 773,  816, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    51 LEU  HB2         1.800        2.650
 &rst iat= 773,  775, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    53 ASP- HN          1.800        4.040
 &rst iat= 773,  800, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    55 LYS+ HN          1.800        4.450
 &rst iat= 773,  828, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    51 LEU  HB3         1.800        3.360
 &rst iat= 773,  776, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    55 LYS+ HB2         1.800        3.050
 &rst iat= 792,  832, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    55 LYS+ HN          1.800        4.040
 &rst iat= 792,  828, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HA    53 ASP- HB2         1.800        3.080
 &rst iat= 802,  804, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HA    53 ASP- HB3         1.800        3.360
 &rst iat= 802,  805, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HN    53 ASP- HB3         1.800        4.040
 &rst iat= 800,  805, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA    54 VAL  HB          1.800        3.210
 &rst iat= 814,  816, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA    57 VAL  HN          1.800        3.830
 &rst iat= 814,  860, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HN    54 VAL  HA          1.800        3.610
 &rst iat= 812,  814, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HN    54 VAL  HB          1.800        3.300
 &rst iat= 812,  816, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HB    55 LYS+ HN          1.800        3.550
 &rst iat= 816,  828, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    55 LYS+ HB3         1.800        3.640
 &rst iat= 830,  833, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HB2         1.800        3.790
 &rst iat= 828,  832, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    60 GLN  HB3         1.800        3.210
 &rst iat= 862,  904, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    57 VAL  HB          1.800        3.480
 &rst iat= 862,  864, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    75 SER  HA          1.800        4.350
 &rst iat= 862, 1140, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    58 CYSS HN          1.800        4.200
 &rst iat= 862,  876, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HN    57 VAL  HA          1.800        3.140
 &rst iat= 860,  862, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    58 CYSS HB2         1.800        3.300
 &rst iat= 878,  880, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    58 CYSS HB3         1.800        3.210
 &rst iat= 878,  881, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HN    58 CYSS HA          1.800        3.140
 &rst iat= 876,  878, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HN    58 CYSS HB2         1.800        3.580
 &rst iat= 876,  880, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HA    59 SER  HB2         1.800        2.770
 &rst iat= 890,  892, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HA    59 SER  HB3         1.800        3.550
 &rst iat= 890,  893, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HA    60 GLN  HB2         1.800        3.520
 &rst iat= 901,  903, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    60 GLN  HB2         1.800        3.890
 &rst iat= 862,  903, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HA    30 MET  HB3         1.800        3.110
 &rst iat= 431,  434, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HA    30 MET  HB2         1.800        3.670
 &rst iat= 431,  433, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HA    61 LYS+ HB3         1.800        2.930
 &rst iat= 918,  921, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HA    61 LYS+ HB2         1.800        2.930
 &rst iat= 918,  920, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    62 LYS+ HB2         1.800        2.770
 &rst iat= 940,  942, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    73 TYR  HA          1.800        3.020
 &rst iat= 940, 1102, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    63 VAL  HN          1.800        2.900
 &rst iat= 940,  960, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    74 GLN  HN          1.800        3.950
 &rst iat= 940, 1121, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    62 LYS+ HB3         1.800        3.270
 &rst iat= 940,  943, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HA    63 VAL  HB          1.800        2.650
 &rst iat= 962,  964, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HN    23 SER  HA          1.800        4.070
 &rst iat= 319,  321, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HB2         1.800        2.830
 &rst iat=1004, 1006, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HB3         1.800        2.930
 &rst iat=1004, 1007, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HA    67 ASP- HB2         1.800        2.740
 &rst iat=1026, 1028, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HA    67 ASP- HB3         1.800        2.710
 &rst iat=1026, 1029, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  68 GLY  HA1   68 GLY  HA2         1.800        2.400
 &rst iat=1038, 1039, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HA    69 GLN  HB2         1.800        2.740
 &rst iat=1045, 1047, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HA    69 GLN  HB3         1.800        3.950
 &rst iat=1045, 1048, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HA    70 THR  HB          1.800        2.520
 &rst iat=1062, 1064, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HA    71 ASN  HB3         1.800        2.930
 &rst iat=1076, 1079, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HA    71 ASN  HB2         1.800        2.860
 &rst iat=1076, 1078, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HA    72 CYSS HB3         1.800        4.450
 &rst iat=1090, 1093, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HA    82 THR  HN          1.800        3.330
 &rst iat=1241, 1258, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    74 GLN  HB2         1.800        5.280
 &rst iat=1102, 1125, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    73 TYR  HB2         1.800        3.420
 &rst iat=1102, 1104, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    74 GLN  HB3         1.800        5.250
 &rst iat=1102, 1126, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    73 TYR  HB3         1.800        3.330
 &rst iat=1102, 1105, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    74 GLN  HA          1.800        5.100
 &rst iat=1102, 1123, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN    73 TYR  HA          1.800        4.040
 &rst iat=1100, 1102, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN    73 TYR  HB2         1.800        4.570
 &rst iat=1100, 1104, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN    73 TYR  HB3         1.800        5.410
 &rst iat=1100, 1105, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA   107 ILE  HA          1.800        3.450
 &rst iat=1123, 1651, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA    74 GLN  HB2         1.800        3.980
 &rst iat=1123, 1125, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA    74 GLN  HB3         1.800        3.580
 &rst iat=1123, 1126, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HA    77 SER  HA          1.800        4.970
 &rst iat=1151, 1173, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HA    77 SER  HB3         1.800        2.710
 &rst iat=1173, 1176, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HA    78 THR  HA          1.800        5.250
 &rst iat=1173, 1184, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB2   77 SER  HA          1.800        5.040
 &rst iat=1153, 1173, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HA    77 SER  HB2         1.800        2.710
 &rst iat=1173, 1175, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA    78 THR  HB          1.800        2.680
 &rst iat=1184, 1186, r1=1.300, r2=1.800, r3=2.680, r4= 3.180,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA   105 HIS+ HA          1.800        3.140
 &rst iat=1184, 1614, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA   104 LYS+ HA          1.800        4.040
 &rst iat=1184, 1592, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA   104 LYS+ HN          1.800        4.040
 &rst iat=1184, 1590, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA    79 MET  HN          1.800        2.740
 &rst iat=1184, 1196, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB    79 MET  HA          1.800        5.280
 &rst iat=1186, 1198, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB    79 MET  HN          1.800        3.270
 &rst iat=1186, 1196, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HA   114 PRO  HA          1.800        2.650
 &rst iat=1722, 1752, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  114 PRO  HA          1.800        2.930
 &rst iat=1750, 1752, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB2  114 PRO  HA          1.800        2.990
 &rst iat=1749, 1752, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB2  114 PRO  HA          1.800        3.140
 &rst iat=1724, 1752, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HA    40 CYSS HB3         1.800        3.170
 &rst iat= 601,  604, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HB    82 THR  HN          1.800        3.300
 &rst iat=1243, 1258, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HA    83 ASP- HN          1.800        4.480
 &rst iat=1260, 1272, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HA    82 THR  HB          1.800        3.980
 &rst iat=1260, 1262, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HA    82 THR  HB          1.800        5.470
 &rst iat=1241, 1262, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HN    82 THR  HB          1.800        4.100
 &rst iat=1258, 1262, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HA    83 ASP- HB3         1.800        3.270
 &rst iat=1274, 1277, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HA    83 ASP- HB2         1.800        3.360
 &rst iat=1274, 1276, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HA    84 CYSS HB2         1.800        3.550
 &rst iat=1286, 1288, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HA    84 CYSS HB3         1.800        3.210
 &rst iat=1286, 1289, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HA    99 THR  HA          1.800        3.210
 &rst iat=1286, 1516, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HN    84 CYSS HA          1.800        3.390
 &rst iat=1284, 1286, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HN    84 CYSS HB2         1.800        3.700
 &rst iat=1284, 1288, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HN    84 CYSS HB3         1.800        4.200
 &rst iat=1284, 1289, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HB2         1.800        2.770
 &rst iat=1298, 1300, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    85 ARG+ HA          1.800        4.600
 &rst iat= 643, 1298, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HB3         1.800        3.170
 &rst iat=1298, 1301, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HA    86 GLU- HB2         1.800        4.100
 &rst iat=1322, 1324, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HA   120 PHE  HB3         1.800        4.010
 &rst iat=1833, 1836, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HA    86 GLU- HB3         1.800        3.360
 &rst iat=1322, 1325, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  87 THR  HB    88 GLY  HA2         1.800        4.450
 &rst iat=1339, 1352, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  88 GLY  HA1   88 GLY  HA2         1.800        2.430
 &rst iat=1351, 1352, r1=1.300, r2=1.800, r3=2.430, r4= 2.930,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HA    91 LYS+ HB3         1.800        2.710
 &rst iat=1380, 1383, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    93 PRO  HB2         1.800        4.350
 &rst iat=1402, 1428, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    93 PRO  HB3         1.800        4.540
 &rst iat=1402, 1429, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    92 TYR  HB3         1.800        3.270
 &rst iat=1402, 1405, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    93 PRO  HA          1.800        2.900
 &rst iat=1402, 1431, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    92 TYR  HB2         1.800        3.390
 &rst iat=1402, 1404, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HB3   93 PRO  HA          1.800        4.350
 &rst iat=1405, 1431, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HA    93 PRO  HB2         1.800        3.270
 &rst iat=1431, 1428, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HA    93 PRO  HB3         1.800        3.420
 &rst iat=1431, 1429, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  94 ASN  HA    94 ASN  HB3         1.800        2.860
 &rst iat=1437, 1440, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HA    95 CYSS HB3         1.800        2.830
 &rst iat=1451, 1454, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  95 CYSS HA    95 CYSS HB2         1.800        3.170
 &rst iat=1451, 1453, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HA    97 TYR  HB2         1.800        4.940
 &rst iat=1473, 1475, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HA    97 TYR  HB3         1.800        3.950
 &rst iat=1473, 1476, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    98 LYS+ HB2         1.800        3.020
 &rst iat=1494, 1496, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    98 LYS+ HB3         1.800        3.300
 &rst iat=1494, 1497, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    99 THR  HA          1.800        4.380
 &rst iat=1494, 1516, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  99 THR  HA    99 THR  HB          1.800        3.170
 &rst iat=1516, 1518, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 100 THR  HA   100 THR  HB          1.800        3.240
 &rst iat=1530, 1532, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  82 THR  HA   101 GLN  HA          1.800        3.270
 &rst iat=1260, 1544, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HA   101 GLN  HB3         1.800        3.050
 &rst iat=1544, 1547, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HA   101 GLN  HB2         1.800        3.300
 &rst iat=1544, 1546, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HA   102 VAL  HN          1.800        3.360
 &rst iat=1544, 1559, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HA   102 VAL  HB          1.800        2.590
 &rst iat=1561, 1563, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HN   102 VAL  HA          1.800        3.950
 &rst iat=1559, 1561, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HA   103 GLU- HA          1.800        3.480
 &rst iat=1217, 1577, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   103 GLU- HB3         1.800        3.170
 &rst iat=1577, 1580, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   103 GLU- HB2         1.800        3.140
 &rst iat=1577, 1579, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   104 LYS+ HB2         1.800        5.000
 &rst iat=1577, 1594, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   104 LYS+ HN          1.800        2.860
 &rst iat=1577, 1590, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN   103 GLU- HA          1.800        4.170
 &rst iat=1196, 1577, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN   103 GLU- HA          1.800        4.820
 &rst iat=1239, 1577, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HA   105 HIS+ HB3         1.800        2.520
 &rst iat=1614, 1617, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HA   106 ILE  HN          1.800        3.050
 &rst iat=1614, 1630, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HA   105 HIS+ HB2         1.800        3.170
 &rst iat=1614, 1616, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   106 ILE  HB          1.800        3.110
 &rst iat=1632, 1634, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   107 ILE  HN          1.800        3.520
 &rst iat=1632, 1649, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HN   106 ILE  HA          1.800        4.040
 &rst iat=1630, 1632, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   121 ASP- HN          1.800        5.100
 &rst iat=1651, 1851, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN   107 ILE  HA          1.800        3.240
 &rst iat=1138, 1651, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   107 ILE  HB          1.800        3.480
 &rst iat=1651, 1653, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HA   108 VAL  HB          1.800        2.990
 &rst iat=1670, 1672, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HA    97 TYR  HA          1.800        2.800
 &rst iat=1322, 1473, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   108 VAL  HA          1.800        4.420
 &rst iat=1651, 1670, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HA   109 ALA  HN          1.800        2.960
 &rst iat=1670, 1684, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HN   108 VAL  HA          1.800        3.950
 &rst iat=1668, 1670, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HB   109 ALA  HN          1.800        3.270
 &rst iat=1672, 1684, r1=1.300, r2=1.800, r3=3.270, r4= 3.770,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HN   109 ALA  HA          1.800        3.550
 &rst iat=1684, 1686, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HN   109 ALA  HA          1.800        3.760
 &rst iat=1100, 1686, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   110 CYSS HB2         1.800        3.080
 &rst iat=1696, 1698, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   118 VAL  HN          1.800        3.020
 &rst iat=1696, 1797, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   110 CYSS HB3         1.800        3.330
 &rst iat=1696, 1699, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA1  111 GLY  HA2         1.800        2.400
 &rst iat=1708, 1709, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA2  112 GLY  HA2         1.800        4.480
 &rst iat=1709, 1716, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 111 GLY  HA2  112 GLY  HA1         1.800        4.660
 &rst iat=1709, 1715, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 112 GLY  HA1  112 GLY  HA2         1.800        2.490
 &rst iat=1715, 1716, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HA   113 LYS+ HB3         1.800        2.460
 &rst iat=1722, 1725, r1=1.300, r2=1.800, r3=2.460, r4= 2.960,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HA   115 SER  HA          1.800        4.170
 &rst iat=1722, 1758, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HA   113 LYS+ HB2         1.800        3.240
 &rst iat=1722, 1724, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB3  114 PRO  HA          1.800        3.950
 &rst iat=1725, 1752, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HA   115 SER  HB2         1.800        2.620
 &rst iat=1758, 1760, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HA   116 VAL  HB          1.800        2.770
 &rst iat=1769, 1771, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   117 PRO  HA          1.800        2.770
 &rst iat=1696, 1793, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB3  117 PRO  HA          1.800        3.300
 &rst iat=1791, 1793, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  117 PRO  HA          1.800        3.210
 &rst iat=1790, 1793, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HA   119 HIS+ HN          1.800        3.980
 &rst iat=1793, 1813, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HA   118 VAL  HN          1.800        2.710
 &rst iat=1793, 1797, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 118 VAL  HA   118 VAL  HB          1.800        2.990
 &rst iat=1799, 1801, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HA   119 HIS+ HB3         1.800        2.740
 &rst iat=1815, 1818, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HA   119 HIS+ HB2         1.800        2.900
 &rst iat=1815, 1817, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HA   120 PHE  HB2         1.800        3.730
 &rst iat=1833, 1835, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HA   121 ASP- HB2         1.800        3.110
 &rst iat=1853, 1855, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HA   121 ASP- HB3         1.800        3.020
 &rst iat=1853, 1856, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HA   123 SER  HB2         1.800        3.050
 &rst iat=1875, 1877, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 124 VAL  HA   124 VAL  HB          1.800        2.860
 &rst iat=1886, 1888, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HA    40 CYSS HA          1.800        3.480
 &rst iat= 541,  601, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HA   123 SER  HB3         1.800        2.520
 &rst iat=1875, 1878, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   123 SER  HA          1.800        2.830
 &rst iat=1632, 1875, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HN   123 SER  HA          1.800        3.980
 &rst iat=1649, 1875, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HN    74 GLN  HA          1.800        3.700
 &rst iat=1121, 1123, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA   108 VAL  HN          1.800        3.920
 &rst iat=1123, 1668, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA    75 SER  HN          1.800        3.300
 &rst iat=1123, 1138, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    79 MET  HA          1.800        3.480
 &rst iat=1196, 1198, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HA    79 MET  HA          1.800        5.160
 &rst iat=1184, 1198, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HA    79 MET  HB3         1.800        2.930
 &rst iat=1198, 1201, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA     8 PHE  HB2         1.800        3.240
 &rst iat= 106,  108, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA     8 PHE  HB3         1.800        3.330
 &rst iat= 106,  109, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HA    32 CYS  HN          1.800        5.220
 &rst iat= 431,  461, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    55 LYS+ HB2         1.800        2.770
 &rst iat= 830,  832, r1=1.300, r2=1.800, r3=2.770, r4= 3.270,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA   116 VAL  HA          1.800        3.730
 &rst iat= 830, 1769, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HA          1.800        3.520
 &rst iat= 828,  830, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  64 THR  HA    64 THR  HB          1.800        3.210
 &rst iat= 978,  980, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  63 VAL  HA    64 THR  HB          1.800        4.720
 &rst iat= 962,  980, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HA    65 CYSS HB2         1.800        5.310
 &rst iat= 992,  994, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HA    65 CYSS HB3         1.800        3.790
 &rst iat= 992,  995, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    79 MET  HB3         1.800        3.640
 &rst iat=1196, 1201, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN    75 SER  HB2         1.800        3.890
 &rst iat=1138, 1142, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HN    75 SER  HB3         1.800        3.950
 &rst iat=1138, 1143, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB3   90 SER  HA          1.800        5.070
 &rst iat=1325, 1369, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB2    2 GLU- HB3         1.800        2.860
 &rst iat=  30,   31, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HB2   66 LYS+ HG2         1.800        3.580
 &rst iat=1006, 1009, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB3    2 GLU- HG2         1.800        4.040
 &rst iat=  31,   33, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB2    2 GLU- HG2         1.800        3.670
 &rst iat=  30,   33, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG2    2 GLU- HG3         1.800        3.140
 &rst iat=  33,   34, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HB3    2 GLU- HG3         1.800        4.010
 &rst iat=  31,   34, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HA     2 GLU- HG2         1.800        4.760
 &rst iat=  28,   33, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HA     2 GLU- HG3         1.800        4.540
 &rst iat=  28,   34, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   3 SER  HB2    3 SER  HB3         1.800        2.550
 &rst iat=  45,   46, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HA     7 LYS+ HD2         1.800        3.390
 &rst iat=  54,   92, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   4 ALA  HA   118 VAL  HB          1.800        5.500
 &rst iat=  54, 1801, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA    11 GLN  HG2         1.800        5.500
 &rst iat=  84,  170, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA    10 ARG+ HG3         1.800        4.070
 &rst iat=  84,  147, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     7 LYS+ HG3         1.800        3.890
 &rst iat=  84,   90, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   7 LYS+ HA     7 LYS+ HG2         1.800        4.260
 &rst iat=  84,   89, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB2    8 PHE  HB3         1.800        3.760
 &rst iat= 108,  109, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB2    8 PHE  HD1         1.800        5.500
 &rst iat= 108,  112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB3    8 PHE  HD1         1.800        5.500
 &rst iat= 109,  112, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ     9 GLU- HA          1.800        4.690
 &rst iat= 116,  126, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HG3    9 GLU- HG2         1.800        2.490
 &rst iat= 132,  131, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA     9 GLU- HG3         1.800        4.040
 &rst iat= 126,  132, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HG2   10 ARG+ HA          1.800        5.500
 &rst iat= 131,  141, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HA     9 GLU- HG2         1.800        4.720
 &rst iat= 126,  131, r1=1.300, r2=1.800, r3=4.720, r4= 5.220,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ     9 GLU- HG3         1.800        5.500
 &rst iat= 116,  132, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   9 GLU- HB2    9 GLU- HB3         1.800        2.960
 &rst iat= 128,  129, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB3    9 GLU- HB2         1.800        5.280
 &rst iat= 109,  128, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HA    76 LYS+ HG3         1.800        3.610
 &rst iat=1151, 1157, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HA    10 ARG+ HD2         1.800        3.730
 &rst iat= 141,  149, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HA   105 HIS+ HD2         1.800        5.500
 &rst iat=1151, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HA    11 GLN  HG2         1.800        4.040
 &rst iat= 165,  170, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HA    11 GLN  HG3         1.800        3.730
 &rst iat= 165,  171, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB3   11 GLN  HB2         1.800        3.920
 &rst iat= 168,  167, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB2   11 GLN  HG3         1.800        4.940
 &rst iat= 167,  171, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB3   11 GLN  HG3         1.800        4.320
 &rst iat= 168,  171, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HG2   11 GLN  HG3         1.800        3.520
 &rst iat= 170,  171, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB3   11 GLN  HG2         1.800        5.100
 &rst iat= 168,  170, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  11 GLN  HB2   11 GLN  HG2         1.800        5.440
 &rst iat= 167,  170, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HA    46 PHE  HD1         1.800        4.570
 &rst iat= 182,  699, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ    12 HIS+ HB3         1.800        5.500
 &rst iat= 116,  185, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  12 HIS+ HB3   12 HIS+ HB2         1.800        3.920
 &rst iat= 185,  184, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  13 MET  HA    47 VAL  HB          1.800        3.950
 &rst iat= 200,  715, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  14 ASP- HB2   46 PHE  HB3         1.800        5.500
 &rst iat= 221,  696, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HA    48 HIS+ HB2         1.800        5.250
 &rst iat= 231,  731, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  15 SER  HB3   48 HIS+ HA          1.800        5.500
 &rst iat= 234,  729, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HA   101 GLN  HG3         1.800        5.500
 &rst iat= 288, 1550, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  20 SER  HB2   20 SER  HB3         1.800        2.650
 &rst iat= 290,  291, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  23 SER  HB3   23 SER  HB2         1.800        2.400
 &rst iat= 324,  323, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HB3   25 TYR  HD1         1.800        3.390
 &rst iat= 349,  352, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  24 ASN  HB3   24 ASN  HB2         1.800        2.550
 &rst iat= 335,  334, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    28 LEU  HG          1.800        5.070
 &rst iat= 346,  398, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HB3   25 TYR  HB2         1.800        3.550
 &rst iat= 349,  348, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HB2   25 TYR  HD1         1.800        3.860
 &rst iat= 348,  352, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HA    25 TYR  HD1         1.800        5.500
 &rst iat= 346,  352, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HE1   25 TYR  HD1         1.800        4.040
 &rst iat= 354,  352, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB2   26 CYSS HB3         1.800        3.480
 &rst iat= 369,  370, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB2   97 TYR  HB2         1.800        4.100
 &rst iat= 369, 1475, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB2   97 TYR  HB3         1.800        4.140
 &rst iat= 369, 1476, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB2   84 CYSS HB2         1.800        5.500
 &rst iat= 369, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HA    46 PHE  HZ          1.800        5.500
 &rst iat= 379,  703, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HA    28 LEU  HG          1.800        4.380
 &rst iat= 393,  398, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HB3   28 LEU  HG          1.800        4.100
 &rst iat= 396,  398, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HB2   28 LEU  HG          1.800        3.980
 &rst iat= 395,  398, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  28 LEU  HB2   28 LEU  HB3         1.800        3.050
 &rst iat= 395,  396, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HB3   29 MET  HB2         1.800        4.510
 &rst iat= 415,  414, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HG2   29 MET  HG3         1.800        3.830
 &rst iat= 417,  418, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  31 CYS  HB3   31 CYS  HB2         1.800        3.550
 &rst iat= 453,  452, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  32 CYS  HB2   32 CYS  HB3         1.800        3.170
 &rst iat= 465,  466, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HD2   33 ARG+ HD3         1.800        4.100
 &rst iat= 484,  485, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    33 ARG+ HD3         1.800        3.980
 &rst iat= 476,  485, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HB3   33 ARG+ HD3         1.800        5.440
 &rst iat= 479,  485, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  10 ARG+ HB2   33 ARG+ HD3         1.800        3.860
 &rst iat= 143,  485, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    34 LYS+ HG2         1.800        3.080
 &rst iat= 500,  505, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    34 LYS+ HD3         1.800        3.480
 &rst iat= 500,  509, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB3   34 LYS+ HE3         1.800        5.500
 &rst iat= 503,  512, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB2   34 LYS+ HB3         1.800        2.650
 &rst iat= 502,  503, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB3   34 LYS+ HD3         1.800        4.290
 &rst iat= 503,  509, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB3   34 LYS+ HG2         1.800        3.700
 &rst iat= 503,  505, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB3   34 LYS+ HG3         1.800        4.450
 &rst iat= 503,  506, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB2   34 LYS+ HG3         1.800        5.500
 &rst iat= 502,  506, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HB2   34 LYS+ HG2         1.800        3.240
 &rst iat= 502,  505, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HA    35 MET  HG3         1.800        3.950
 &rst iat= 522,  528, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HD3   35 MET  HA          1.800        4.690
 &rst iat= 509,  522, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HG3   35 MET  HG2         1.800        3.790
 &rst iat= 528,  527, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HA    35 MET  HG2         1.800        4.790
 &rst iat= 522,  527, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HB2   37 GLN  HG3         1.800        2.710
 &rst iat= 557,  561, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  34 LYS+ HA    37 GLN  HG2         1.800        5.190
 &rst iat= 500,  560, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  37 GLN  HA    37 GLN  HG2         1.800        4.290
 &rst iat= 555,  560, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  35 MET  HB2   35 MET  HB3         1.800        2.650
 &rst iat= 524,  525, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  38 GLY  HA2   92 TYR  HE1         1.800        5.500
 &rst iat= 573, 1410, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    92 TYR  HD1         1.800        4.230
 &rst iat= 579, 1408, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    39 LYS+ HG3         1.800        4.320
 &rst iat= 579,  585, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB3   39 LYS+ HB2         1.800        2.900
 &rst iat= 582,  581, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB3   39 LYS+ HG2         1.800        3.550
 &rst iat= 582,  584, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB3   39 LYS+ HG3         1.800        3.730
 &rst iat= 582,  585, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB2   39 LYS+ HG2         1.800        4.510
 &rst iat= 581,  584, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB2   39 LYS+ HE3         1.800        5.500
 &rst iat= 581,  591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB3   39 LYS+ HE3         1.800        5.500
 &rst iat= 582,  591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG3   39 LYS+ HG2         1.800        2.400
 &rst iat= 585,  584, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG2   39 LYS+ HE3         1.800        5.500
 &rst iat= 584,  591, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HA    39 LYS+ HG2         1.800        5.500
 &rst iat= 579,  584, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG3   39 LYS+ HE3         1.800        4.230
 &rst iat= 585,  591, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB2   39 LYS+ HG3         1.800        2.990
 &rst iat= 581,  585, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG3   39 LYS+ HD3         1.800        4.230
 &rst iat= 585,  588, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HD3   39 LYS+ HE3         1.800        4.070
 &rst iat= 588,  591, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HB3   41 LYS+ HB2         1.800        3.890
 &rst iat= 616,  615, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD2   42 PRO  HA          1.800        5.500
 &rst iat= 634,  643, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD3   42 PRO  HA          1.800        5.310
 &rst iat= 635,  643, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    85 ARG+ HG3         1.800        5.500
 &rst iat= 643, 1304, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB3   42 PRO  HB2         1.800        2.860
 &rst iat= 641,  640, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD2   42 PRO  HB3         1.800        5.500
 &rst iat= 634,  641, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD3   42 PRO  HB3         1.800        4.850
 &rst iat= 635,  641, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   42 PRO  HG2         1.800        3.950
 &rst iat= 640,  637, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    42 PRO  HG2         1.800        4.040
 &rst iat= 643,  637, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HD3   42 PRO  HD2         1.800        2.960
 &rst iat= 635,  634, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HA    42 PRO  HD2         1.800        2.860
 &rst iat= 613,  634, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HA    42 PRO  HD3         1.800        3.110
 &rst iat= 613,  635, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   42 PRO  HD3         1.800        4.910
 &rst iat= 640,  635, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HG2   42 PRO  HD3         1.800        3.020
 &rst iat= 637,  635, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HB2   42 PRO  HD3         1.800        5.310
 &rst iat= 581,  635, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HB3   42 PRO  HD2         1.800        3.860
 &rst iat= 616,  634, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HG2   42 PRO  HD2         1.800        2.590
 &rst iat= 637,  634, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HB2   42 PRO  HD2         1.800        4.660
 &rst iat= 640,  634, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    84 CYSS HB3         1.800        5.470
 &rst iat= 649, 1289, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HA    81 ILE  HG12        1.800        4.940
 &rst iat=1241, 1249, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    85 ARG+ HG3         1.800        5.500
 &rst iat= 649, 1304, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  43 VAL  HA    97 TYR  HE1         1.800        4.790
 &rst iat= 649, 1481, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HA   104 LYS+ HG2         1.800        3.480
 &rst iat=1592, 1597, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   104 LYS+ HA          1.800        4.290
 &rst iat=1186, 1592, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB2   95 CYSS HA          1.800        5.160
 &rst iat=1371, 1451, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HB3   44 ASN  HB3         1.800        4.010
 &rst iat= 616,  668, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB2   44 ASN  HB3         1.800        3.140
 &rst iat= 667,  668, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  41 LYS+ HB3   44 ASN  HB2         1.800        3.520
 &rst iat= 616,  667, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HA    83 ASP- HB2         1.800        5.500
 &rst iat= 679, 1276, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  45 THR  HB   120 PHE  HE1         1.800        4.690
 &rst iat= 681, 1841, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HA    46 PHE  HD1         1.800        4.480
 &rst iat= 693,  699, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB2   46 PHE  HB3         1.800        4.320
 &rst iat= 695,  696, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB2   46 PHE  HD1         1.800        4.940
 &rst iat= 695,  699, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB3   46 PHE  HD1         1.800        4.660
 &rst iat= 696,  699, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    81 ILE  HB          1.800        4.910
 &rst iat= 713, 1243, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  47 VAL  HA    81 ILE  HG12        1.800        5.500
 &rst iat= 713, 1249, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  48 HIS+ HB3   48 HIS+ HB2         1.800        3.980
 &rst iat= 732,  731, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB2   49 GLU- HB3         1.800        4.380
 &rst iat= 749,  750, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB3   49 GLU- HG3         1.800        3.920
 &rst iat= 750,  753, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB2   49 GLU- HG3         1.800        5.500
 &rst iat= 749,  753, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HG3   49 GLU- HG2         1.800        3.450
 &rst iat= 753,  752, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB3   49 GLU- HG2         1.800        5.500
 &rst iat= 750,  752, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  50 SER  HB3   50 SER  HB2         1.800        2.490
 &rst iat= 765,  764, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HB3   51 LEU  HB2         1.800        2.490
 &rst iat= 776,  775, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HB3   51 LEU  HG          1.800        3.550
 &rst iat= 776,  778, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HA    51 LEU  HG          1.800        4.600
 &rst iat= 773,  778, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HB2   51 LEU  HG          1.800        3.080
 &rst iat= 775,  778, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    55 LYS+ HG3         1.800        5.500
 &rst iat= 792,  836, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  49 GLU- HB3   53 ASP- HB2         1.800        5.500
 &rst iat= 750,  804, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  53 ASP- HB3   53 ASP- HB2         1.800        3.140
 &rst iat= 805,  804, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  54 VAL  HA   117 PRO  HG2         1.800        5.500
 &rst iat= 814, 1787, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  51 LEU  HG    54 VAL  HB          1.800        5.500
 &rst iat= 778,  816, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB3   55 LYS+ HG3         1.800        3.610
 &rst iat= 833,  836, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB3   76 LYS+ HE3         1.800        5.500
 &rst iat=1154, 1163, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB2   76 LYS+ HE3         1.800        5.220
 &rst iat=1153, 1163, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB3   55 LYS+ HB2         1.800        2.400
 &rst iat= 833,  832, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB2   55 LYS+ HG3         1.800        3.700
 &rst iat= 832,  836, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG2   55 LYS+ HG3         1.800        3.140
 &rst iat= 835,  836, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB2   55 LYS+ HG2         1.800        2.800
 &rst iat= 832,  835, r1=1.300, r2=1.800, r3=2.800, r4= 3.300,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HG3         1.800        4.570
 &rst iat= 828,  836, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    55 LYS+ HD2         1.800        4.510
 &rst iat= 830,  838, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HN    55 LYS+ HD2         1.800        5.280
 &rst iat= 828,  838, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG3   55 LYS+ HD2         1.800        3.020
 &rst iat= 836,  838, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  57 VAL  HA    60 GLN  HG2         1.800        3.980
 &rst iat= 862,  906, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    73 TYR  HB2         1.800        4.260
 &rst iat= 878, 1104, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA    73 TYR  HB3         1.800        4.630
 &rst iat= 878, 1105, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HB3   58 CYSS HB2         1.800        3.300
 &rst iat= 881,  880, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HA    73 TYR  HE1         1.800        5.500
 &rst iat= 890, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  59 SER  HB3   59 SER  HB2         1.800        2.400
 &rst iat= 893,  892, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HA    60 GLN  HG3         1.800        2.620
 &rst iat= 901,  907, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB3   60 GLN  HB2         1.800        2.710
 &rst iat= 904,  903, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB2   60 GLN  HG2         1.800        3.950
 &rst iat= 903,  906, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HG3   60 GLN  HG2         1.800        2.520
 &rst iat= 907,  906, r1=1.300, r2=1.800, r3=2.520, r4= 3.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HA    60 GLN  HG2         1.800        3.610
 &rst iat= 901,  906, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HA    61 LYS+ HG3         1.800        3.550
 &rst iat= 918,  924, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB3   61 LYS+ HG2         1.800        3.700
 &rst iat= 921,  923, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB3   61 LYS+ HG3         1.800        4.320
 &rst iat= 921,  924, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG3   93 PRO  HB3         1.800        2.990
 &rst iat=1426, 1429, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB3   61 LYS+ HB2         1.800        2.490
 &rst iat= 921,  920, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HA    61 LYS+ HG2         1.800        4.230
 &rst iat= 918,  923, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB2   61 LYS+ HG3         1.800        3.700
 &rst iat= 920,  924, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB2   61 LYS+ HG2         1.800        3.420
 &rst iat= 920,  923, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HG2   61 LYS+ HG3         1.800        2.400
 &rst iat= 923,  924, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HG3   61 LYS+ HD2         1.800        2.400
 &rst iat= 924,  926, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HG2   61 LYS+ HD2         1.800        2.680
 &rst iat= 923,  926, r1=1.300, r2=1.800, r3=2.680, r4= 3.180,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    62 LYS+ HG2         1.800        2.860
 &rst iat= 940,  945, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    73 TYR  HB2         1.800        5.280
 &rst iat= 940, 1104, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    73 TYR  HB3         1.800        5.160
 &rst iat= 940, 1105, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    73 TYR  HE1         1.800        5.500
 &rst iat= 940, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HA    73 TYR  HD1         1.800        5.500
 &rst iat= 940, 1108, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB2   62 LYS+ HG2         1.800        3.920
 &rst iat= 942,  945, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB3   62 LYS+ HG2         1.800        3.550
 &rst iat= 943,  945, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB2   62 LYS+ HB3         1.800        2.590
 &rst iat= 942,  943, r1=1.300, r2=1.800, r3=2.590, r4= 3.090,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB2   62 LYS+ HE3         1.800        5.220
 &rst iat= 942,  952, r1=1.300, r2=1.800, r3=5.220, r4= 5.720,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB3   62 LYS+ HE3         1.800        5.500
 &rst iat= 943,  952, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB3   73 TYR  HE1         1.800        5.500
 &rst iat= 943, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HB2   73 TYR  HE1         1.800        5.500
 &rst iat= 942, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HE3         1.800        5.440
 &rst iat=1004, 1016, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HG2         1.800        4.630
 &rst iat=1004, 1009, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HB2   66 LYS+ HB3         1.800        2.460
 &rst iat=1006, 1007, r1=1.300, r2=1.800, r3=2.460, r4= 2.960,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HG3         1.800        4.290
 &rst iat=1004, 1010, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HG2   66 LYS+ HE3         1.800        5.100
 &rst iat=1009, 1016, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HG3   66 LYS+ HE3         1.800        4.260
 &rst iat=1010, 1016, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HB2   66 LYS+ HG3         1.800        3.920
 &rst iat=1006, 1010, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HG2   66 LYS+ HG3         1.800        2.400
 &rst iat=1009, 1010, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  66 LYS+ HA    66 LYS+ HD3         1.800        4.760
 &rst iat=1004, 1013, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  67 ASP- HB2   67 ASP- HB3         1.800        2.550
 &rst iat=1028, 1029, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HA    69 GLN  HG3         1.800        2.930
 &rst iat=1045, 1051, r1=1.300, r2=1.800, r3=2.930, r4= 3.430,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB3   69 GLN  HG3         1.800        3.640
 &rst iat=1048, 1051, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB3   69 GLN  HB2         1.800        2.740
 &rst iat=1048, 1047, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HG3   69 GLN  HG2         1.800        2.650
 &rst iat=1051, 1050, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB2   69 GLN  HG3         1.800        3.240
 &rst iat=1047, 1051, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HB2   69 GLN  HG2         1.800        3.390
 &rst iat=1047, 1050, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  69 GLN  HA    69 GLN  HG2         1.800        3.640
 &rst iat=1045, 1050, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  70 THR  HB   119 HIS+ HB3         1.800        5.500
 &rst iat=1064, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HA    73 TYR  HE1         1.800        5.500
 &rst iat=1076, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  71 ASN  HB3   71 ASN  HB2         1.800        3.240
 &rst iat=1079, 1078, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HA    73 TYR  HD1         1.800        4.420
 &rst iat=1102, 1108, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB2   73 TYR  HB3         1.800        2.740
 &rst iat=1104, 1105, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB2   73 TYR  HD1         1.800        3.950
 &rst iat=1104, 1108, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB3   73 TYR  HD1         1.800        4.420
 &rst iat=1105, 1108, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HD1   73 TYR  HE1         1.800        5.500
 &rst iat=1108, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HB3   73 TYR  HE1         1.800        5.500
 &rst iat=1105, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HA    74 GLN  HG3         1.800        4.970
 &rst iat=1123, 1129, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HB2   74 GLN  HB3         1.800        2.550
 &rst iat=1125, 1126, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  60 GLN  HB3   75 SER  HA          1.800        5.410
 &rst iat= 904, 1140, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HG3   76 LYS+ HE3         1.800        3.450
 &rst iat=1157, 1163, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HD2   76 LYS+ HE3         1.800        3.360
 &rst iat=1159, 1163, r1=1.300, r2=1.800, r3=3.360, r4= 3.860,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HA    76 LYS+ HD2         1.800        5.500
 &rst iat=1151, 1159, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HG3   77 SER  HA          1.800        5.500
 &rst iat=1157, 1173, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HA   105 HIS+ HD2         1.800        5.470
 &rst iat=1173, 1626, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  77 SER  HB3   77 SER  HB2         1.800        2.400
 &rst iat=1176, 1175, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB2   77 SER  HB3         1.800        5.500
 &rst iat=1153, 1176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HG3   77 SER  HB3         1.800        5.500
 &rst iat=1157, 1176, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HG3   77 SER  HB2         1.800        5.500
 &rst iat=1157, 1175, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  76 LYS+ HB2   77 SER  HB2         1.800        5.500
 &rst iat=1153, 1175, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   103 GLU- HB2         1.800        3.640
 &rst iat=1186, 1579, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   103 GLU- HB3         1.800        4.450
 &rst iat=1186, 1580, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   103 GLU- HG2         1.800        5.380
 &rst iat=1186, 1582, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   105 HIS+ HA          1.800        4.660
 &rst iat=1186, 1614, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   103 GLU- HA          1.800        5.160
 &rst iat=1186, 1577, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  78 THR  HB   104 LYS+ HN          1.800        4.040
 &rst iat=1186, 1590, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  40 CYSS HB2   40 CYSS HB3         1.800        3.420
 &rst iat= 603,  604, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HA    79 MET  HG3         1.800        3.890
 &rst iat=1198, 1204, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HG2   79 MET  HG3         1.800        2.900
 &rst iat=1203, 1204, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HB3   79 MET  HG3         1.800        3.050
 &rst iat=1201, 1204, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HB3   79 MET  HG2         1.800        3.330
 &rst iat=1201, 1203, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    79 MET  HG3         1.800        5.500
 &rst iat=1196, 1204, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HN    79 MET  HG2         1.800        5.500
 &rst iat=1196, 1203, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HA    80 ARG+ HD2         1.800        3.520
 &rst iat=1217, 1225, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HA    80 ARG+ HG3         1.800        3.110
 &rst iat=1217, 1223, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HG3   80 ARG+ HD2         1.800        3.640
 &rst iat=1223, 1225, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HG3   80 ARG+ HD3         1.800        2.990
 &rst iat=1223, 1226, r1=1.300, r2=1.800, r3=2.990, r4= 3.490,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  80 ARG+ HD2   80 ARG+ HD3         1.800        2.550
 &rst iat=1225, 1226, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HB    81 ILE  HG12        1.800        4.200
 &rst iat=1243, 1249, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HB    81 ILE  HG13        1.800        4.600
 &rst iat=1243, 1250, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HG13  81 ILE  HG12        1.800        3.050
 &rst iat=1250, 1249, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN    81 ILE  HG13        1.800        4.970
 &rst iat=1239, 1250, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HN    81 ILE  HG12        1.800        4.760
 &rst iat=1239, 1249, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB3   82 THR  HB          1.800        5.500
 &rst iat= 696, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HB2   82 THR  HB          1.800        5.500
 &rst iat= 695, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  25 TYR  HE1   82 THR  HB          1.800        5.500
 &rst iat= 354, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  46 PHE  HD1   82 THR  HB          1.800        5.500
 &rst iat= 699, 1262, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HB3  100 THR  HB          1.800        3.670
 &rst iat=1277, 1532, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HB2  100 THR  HB          1.800        3.670
 &rst iat=1276, 1532, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  83 ASP- HB2   83 ASP- HB3         1.800        2.710
 &rst iat=1276, 1277, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  84 CYSS HB2   84 CYSS HB3         1.800        3.830
 &rst iat=1288, 1289, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB2   84 CYSS HB3         1.800        5.070
 &rst iat= 667, 1289, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  44 ASN  HB2   84 CYSS HB2         1.800        5.500
 &rst iat= 667, 1288, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HG3         1.800        3.480
 &rst iat=1298, 1304, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HD2         1.800        5.470
 &rst iat=1298, 1306, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    97 TYR  HE1         1.800        5.500
 &rst iat=1298, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   85 ARG+ HB3         1.800        2.400
 &rst iat=1300, 1301, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB3   85 ARG+ HD3         1.800        3.860
 &rst iat=1301, 1307, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   85 ARG+ HG3         1.800        3.420
 &rst iat=1300, 1304, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HG2   85 ARG+ HG3         1.800        3.020
 &rst iat=1303, 1304, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   85 ARG+ HG2         1.800        3.520
 &rst iat=1300, 1303, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HG3   85 ARG+ HD3         1.800        3.450
 &rst iat=1304, 1307, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HG2         1.800        5.440
 &rst iat=1298, 1303, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HD2   85 ARG+ HD3         1.800        2.400
 &rst iat=1306, 1307, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   85 ARG+ HD3         1.800        3.830
 &rst iat=1300, 1307, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HB2   85 ARG+ HD2         1.800        3.860
 &rst iat=1300, 1306, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HG3   85 ARG+ HD2         1.800        3.080
 &rst iat=1304, 1306, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HA    85 ARG+ HD3         1.800        5.500
 &rst iat=1298, 1307, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB3   86 GLU- HB2         1.800        3.210
 &rst iat=1325, 1324, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HA    91 LYS+ HG2         1.800        2.900
 &rst iat=1380, 1385, r1=1.300, r2=1.800, r3=2.900, r4= 3.400,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HB3   91 LYS+ HG2         1.800        3.050
 &rst iat=1383, 1385, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HG2   91 LYS+ HE2         1.800        4.040
 &rst iat=1385, 1391, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HB3   91 LYS+ HE2         1.800        2.400
 &rst iat=1383, 1391, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HA    91 LYS+ HE2         1.800        4.510
 &rst iat=1380, 1391, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HA    92 TYR  HD1         1.800        3.480
 &rst iat=1402, 1408, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HB3   92 TYR  HB2         1.800        3.170
 &rst iat=1405, 1404, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HB3   92 TYR  HD1         1.800        3.640
 &rst iat=1405, 1408, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HB2   92 TYR  HD1         1.800        3.480
 &rst iat=1404, 1408, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD3   93 PRO  HA          1.800        5.190
 &rst iat=1423, 1431, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HD1   93 PRO  HA          1.800        4.480
 &rst iat=1408, 1431, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG3   93 PRO  HB2         1.800        3.700
 &rst iat=1426, 1428, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   93 PRO  HB2         1.800        3.670
 &rst iat=1425, 1428, r1=1.300, r2=1.800, r3=3.670, r4= 4.170,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HB3   93 PRO  HB2         1.800        3.170
 &rst iat=1429, 1428, r1=1.300, r2=1.800, r3=3.170, r4= 3.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD2   93 PRO  HB2         1.800        4.070
 &rst iat=1422, 1428, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   93 PRO  HB3         1.800        2.860
 &rst iat=1425, 1429, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   93 PRO  HG3         1.800        2.550
 &rst iat=1425, 1426, r1=1.300, r2=1.800, r3=2.550, r4= 3.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HA    93 PRO  HG2         1.800        5.500
 &rst iat=1431, 1425, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HA    93 PRO  HG3         1.800        4.820
 &rst iat=1431, 1426, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD3   93 PRO  HG3         1.800        3.980
 &rst iat=1423, 1426, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD3   93 PRO  HD2         1.800        2.830
 &rst iat=1423, 1422, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HB3   93 PRO  HD2         1.800        5.500
 &rst iat=1429, 1422, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   93 PRO  HD2         1.800        3.550
 &rst iat=1425, 1422, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG3   93 PRO  HD2         1.800        4.100
 &rst iat=1426, 1422, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HB2   93 PRO  HD3         1.800        5.500
 &rst iat=1428, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HG2   93 PRO  HD3         1.800        3.700
 &rst iat=1425, 1423, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HB3   93 PRO  HD3         1.800        5.500
 &rst iat=1429, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  93 PRO  HD2   94 ASN  HD22        1.800        5.500
 &rst iat=1422, 1445, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  92 TYR  HD1   93 PRO  HD3         1.800        5.500
 &rst iat=1408, 1423, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  91 LYS+ HB3   94 ASN  HB3         1.800        4.200
 &rst iat=1383, 1440, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  27 ASN  HD21  96 ALA  HA          1.800        5.500
 &rst iat= 386, 1463, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB2   97 TYR  HB3         1.800        3.580
 &rst iat=1475, 1476, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB3   97 TYR  HB3         1.800        5.500
 &rst iat= 370, 1476, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HB3   97 TYR  HB2         1.800        4.970
 &rst iat= 370, 1475, r1=1.300, r2=1.800, r3=4.970, r4= 5.470,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB3   97 TYR  HE1         1.800        5.500
 &rst iat=1476, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB2   97 TYR  HE1         1.800        5.500
 &rst iat=1475, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB2   97 TYR  HD1         1.800        5.040
 &rst iat=1475, 1479, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HB3   97 TYR  HD1         1.800        5.500
 &rst iat=1476, 1479, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    98 LYS+ HG3         1.800        3.790
 &rst iat=1494, 1500, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB2   98 LYS+ HB3         1.800        2.620
 &rst iat=1496, 1497, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB2   98 LYS+ HG2         1.800        3.210
 &rst iat=1496, 1499, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  61 LYS+ HB2   74 GLN  HN          1.800        5.500
 &rst iat= 920, 1121, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HA    98 LYS+ HG2         1.800        3.950
 &rst iat=1494, 1499, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HG2   98 LYS+ HG3         1.800        2.400
 &rst iat=1499, 1500, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB3   98 LYS+ HG2         1.800        3.420
 &rst iat=1497, 1499, r1=1.300, r2=1.800, r3=3.420, r4= 3.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  98 LYS+ HB3   98 LYS+ HG3         1.800        4.140
 &rst iat=1497, 1500, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  22 SER  HA    99 THR  HB          1.800        4.660
 &rst iat= 310, 1518, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HA   101 GLN  HG2         1.800        3.140
 &rst iat=1544, 1549, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HB2  101 GLN  HG2         1.800        3.640
 &rst iat=1546, 1549, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HB2  101 GLN  HG3         1.800        3.860
 &rst iat=1546, 1550, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HG3  101 GLN  HG2         1.800        2.400
 &rst iat=1550, 1549, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 101 GLN  HA   101 GLN  HG3         1.800        5.500
 &rst iat=1544, 1550, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   103 GLU- HG2         1.800        3.730
 &rst iat=1577, 1582, r1=1.300, r2=1.800, r3=3.730, r4= 4.230,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HB2  103 GLU- HG2         1.800        3.580
 &rst iat=1579, 1582, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HG3  103 GLU- HG2         1.800        2.710
 &rst iat=1583, 1582, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HB3  103 GLU- HG3         1.800        3.790
 &rst iat=1580, 1583, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HB3  103 GLU- HG2         1.800        3.520
 &rst iat=1580, 1582, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HB2  103 GLU- HG3         1.800        4.040
 &rst iat=1579, 1583, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 103 GLU- HA   103 GLU- HG3         1.800        5.130
 &rst iat=1577, 1583, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  123 SER  HB2         1.800        3.480
 &rst iat=1594, 1877, r1=1.300, r2=1.800, r3=3.480, r4= 3.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  104 LYS+ HE3         1.800        5.500
 &rst iat=1594, 1604, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  104 LYS+ HG2         1.800        4.070
 &rst iat=1594, 1597, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  104 LYS+ HB3         1.800        2.960
 &rst iat=1594, 1595, r1=1.300, r2=1.800, r3=2.960, r4= 3.460,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  123 SER  HB2         1.800        3.790
 &rst iat=1595, 1877, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  123 SER  HB2         1.800        4.260
 &rst iat=1597, 1877, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  124 VAL  HA          1.800        3.640
 &rst iat=1597, 1886, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  104 LYS+ HG2         1.800        3.520
 &rst iat=1595, 1597, r1=1.300, r2=1.800, r3=3.520, r4= 4.020,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   104 LYS+ HG2         1.800        5.500
 &rst iat=1590, 1597, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HB   104 LYS+ HD3         1.800        4.200
 &rst iat=1563, 1601, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  104 LYS+ HD3         1.800        3.390
 &rst iat=1595, 1601, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HN   104 LYS+ HD3         1.800        5.500
 &rst iat=1590, 1601, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HA   104 LYS+ HE3         1.800        5.160
 &rst iat=1592, 1604, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HE3  123 SER  HB2         1.800        5.160
 &rst iat=1604, 1877, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  104 LYS+ HE3         1.800        4.100
 &rst iat=1595, 1604, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 102 VAL  HB   104 LYS+ HE3         1.800        3.210
 &rst iat=1563, 1604, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  104 LYS+ HE3         1.800        2.650
 &rst iat=1597, 1604, r1=1.300, r2=1.800, r3=2.650, r4= 3.150,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HD3  104 LYS+ HE3         1.800        2.620
 &rst iat=1601, 1604, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  105 HIS+ HB3         1.800        3.110
 &rst iat=1616, 1617, r1=1.300, r2=1.800, r3=3.110, r4= 3.610,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG3  105 HIS+ HB3         1.800        5.500
 &rst iat=1129, 1617, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG3  105 HIS+ HB2         1.800        5.500
 &rst iat=1129, 1616, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  107 ILE  HG12        1.800        3.890
 &rst iat=1616, 1659, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB3  105 HIS+ HD2         1.800        5.500
 &rst iat=1617, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  105 HIS+ HD2         1.800        5.500
 &rst iat=1616, 1626, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  105 HIS+ HE2         1.800        5.070
 &rst iat=1616, 1624, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   123 SER  HB2         1.800        4.040
 &rst iat=1632, 1877, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   106 ILE  HG13        1.800        3.920
 &rst iat=1632, 1641, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   120 PHE  HE1         1.800        5.160
 &rst iat=1632, 1841, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB2  106 ILE  HB          1.800        5.500
 &rst iat=1142, 1634, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HB   106 ILE  HG13        1.800        4.350
 &rst iat=1634, 1641, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HB   120 PHE  HE1         1.800        3.760
 &rst iat=1634, 1841, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   107 ILE  HG12        1.800        3.210
 &rst iat=1651, 1659, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   121 ASP- HB3         1.800        4.420
 &rst iat=1651, 1856, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   121 ASP- HB2         1.800        4.230
 &rst iat=1653, 1855, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   107 ILE  HG12        1.800        2.400
 &rst iat=1653, 1659, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HG12 107 ILE  HG13        1.800        2.740
 &rst iat=1659, 1660, r1=1.300, r2=1.800, r3=2.740, r4= 3.240,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   107 ILE  HG13        1.800        4.140
 &rst iat=1653, 1660, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG3  107 ILE  HG12        1.800        5.190
 &rst iat=1129, 1659, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  74 GLN  HG3  107 ILE  HG13        1.800        5.440
 &rst iat=1129, 1660, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HA   107 ILE  HG13        1.800        4.140
 &rst iat=1651, 1660, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HA    97 TYR  HE1         1.800        5.500
 &rst iat=1473, 1481, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  97 TYR  HA    97 TYR  HD1         1.800        5.250
 &rst iat=1473, 1479, r1=1.300, r2=1.800, r3=5.250, r4= 5.750,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 109 ALA  HA   119 HIS+ HB3         1.800        5.500
 &rst iat=1686, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  72 CYSS HB3  109 ALA  HA          1.800        5.500
 &rst iat=1093, 1686, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   117 PRO  HB3         1.800        5.500
 &rst iat=1696, 1791, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HA   117 PRO  HD3         1.800        5.500
 &rst iat=1696, 1785, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HB3  110 CYSS HB2         1.800        3.020
 &rst iat=1699, 1698, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA   110 CYSS HB2         1.800        4.010
 &rst iat= 878, 1698, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  58 CYSS HA   110 CYSS HB3         1.800        4.630
 &rst iat= 878, 1699, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HB2  117 PRO  HA          1.800        4.600
 &rst iat=1698, 1793, r1=1.300, r2=1.800, r3=4.600, r4= 5.100,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HD1  110 CYSS HB2         1.800        5.500
 &rst iat=1108, 1698, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  73 TYR  HD1  110 CYSS HB3         1.800        5.500
 &rst iat=1108, 1699, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HA   114 PRO  HD3         1.800        5.310
 &rst iat=1722, 1744, r1=1.300, r2=1.800, r3=5.310, r4= 5.810,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB2  113 LYS+ HG3         1.800        4.230
 &rst iat=1724, 1728, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB2  113 LYS+ HG2         1.800        4.170
 &rst iat=1724, 1727, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB3  113 LYS+ HG3         1.800        4.230
 &rst iat=1725, 1728, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB3  113 LYS+ HG2         1.800        3.550
 &rst iat=1725, 1727, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 113 LYS+ HB3  113 LYS+ HB2         1.800        2.400
 &rst iat=1725, 1724, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HD3  114 PRO  HA          1.800        4.850
 &rst iat=1744, 1752, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HD2  114 PRO  HB2         1.800        5.500
 &rst iat=1743, 1749, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HD3  114 PRO  HB2         1.800        4.760
 &rst iat=1744, 1749, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB2  114 PRO  HB3         1.800        2.400
 &rst iat=1749, 1750, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HG3  114 PRO  HG2         1.800        2.490
 &rst iat=1747, 1746, r1=1.300, r2=1.800, r3=2.490, r4= 2.990,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  114 PRO  HG2         1.800        4.260
 &rst iat=1750, 1746, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  114 PRO  HG3         1.800        4.660
 &rst iat=1750, 1747, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HD2  114 PRO  HG2         1.800        3.550
 &rst iat=1743, 1746, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HA   114 PRO  HG2         1.800        5.500
 &rst iat=1752, 1746, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HA   114 PRO  HG3         1.800        5.500
 &rst iat=1752, 1747, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HG2  114 PRO  HD3         1.800        3.610
 &rst iat=1746, 1744, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  114 PRO  HD2         1.800        4.100
 &rst iat=1750, 1743, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HB3  114 PRO  HD3         1.800        4.660
 &rst iat=1750, 1744, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HG3  114 PRO  HD3         1.800        2.620
 &rst iat=1747, 1744, r1=1.300, r2=1.800, r3=2.620, r4= 3.120,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HG3  114 PRO  HD2         1.800        4.320
 &rst iat=1747, 1743, r1=1.300, r2=1.800, r3=4.320, r4= 4.820,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HD2  114 PRO  HD3         1.800        2.400
 &rst iat=1743, 1744, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 114 PRO  HA   114 PRO  HD2         1.800        4.880
 &rst iat=1752, 1743, r1=1.300, r2=1.800, r3=4.880, r4= 5.380,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 115 SER  HB3  115 SER  HB2         1.800        2.400
 &rst iat=1761, 1760, r1=1.300, r2=1.800, r3=2.400, r4= 2.900,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HA   117 PRO  HD3         1.800        3.080
 &rst iat=1769, 1785, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG3  116 VAL  HA          1.800        5.500
 &rst iat= 836, 1769, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 110 CYSS HB3  117 PRO  HA          1.800        5.280
 &rst iat=1699, 1793, r1=1.300, r2=1.800, r3=5.280, r4= 5.780,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HB   117 PRO  HA          1.800        5.500
 &rst iat=1672, 1793, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HG2  117 PRO  HA          1.800        3.950
 &rst iat=1787, 1793, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HG2  117 PRO  HB2         1.800        3.450
 &rst iat=1787, 1790, r1=1.300, r2=1.800, r3=3.450, r4= 3.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HB   117 PRO  HB2         1.800        5.500
 &rst iat=1672, 1790, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   117 PRO  HB2         1.800        5.190
 &rst iat= 116, 1790, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   117 PRO  HB3         1.800        5.500
 &rst iat= 116, 1791, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HG2  117 PRO  HB3         1.800        3.920
 &rst iat=1787, 1791, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  117 PRO  HB3         1.800        3.140
 &rst iat=1790, 1791, r1=1.300, r2=1.800, r3=3.140, r4= 3.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  39 LYS+ HG2   39 LYS+ HD3         1.800        3.240
 &rst iat= 584,  588, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HD3  117 PRO  HG2         1.800        3.300
 &rst iat=1785, 1787, r1=1.300, r2=1.800, r3=3.300, r4= 3.800,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   117 PRO  HG2         1.800        4.380
 &rst iat= 116, 1787, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  117 PRO  HD2         1.800        4.480
 &rst iat=1790, 1784, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HB2  117 PRO  HD3         1.800        5.500
 &rst iat=1790, 1785, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG3  117 PRO  HD3         1.800        4.040
 &rst iat= 836, 1785, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HG3  117 PRO  HD2         1.800        4.140
 &rst iat= 836, 1784, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HG2  117 PRO  HD2         1.800        3.390
 &rst iat=1787, 1784, r1=1.300, r2=1.800, r3=3.390, r4= 3.890,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HB2  117 PRO  HD2         1.800        4.690
 &rst iat= 832, 1784, r1=1.300, r2=1.800, r3=4.690, r4= 5.190,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HB   117 PRO  HD2         1.800        3.080
 &rst iat=1771, 1784, r1=1.300, r2=1.800, r3=3.080, r4= 3.580,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HB   117 PRO  HD3         1.800        4.100
 &rst iat=1771, 1785, r1=1.300, r2=1.800, r3=4.100, r4= 4.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 117 PRO  HD3  117 PRO  HD2         1.800        2.830
 &rst iat=1785, 1784, r1=1.300, r2=1.800, r3=2.830, r4= 3.330,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 116 VAL  HA   117 PRO  HD2         1.800        3.210
 &rst iat=1769, 1784, r1=1.300, r2=1.800, r3=3.210, r4= 3.710,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB2  118 VAL  HA          1.800        4.040
 &rst iat= 108, 1799, r1=1.300, r2=1.800, r3=4.040, r4= 4.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB3  118 VAL  HA          1.800        3.790
 &rst iat= 109, 1799, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   118 VAL  HA          1.800        5.500
 &rst iat= 116, 1799, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HE1  119 HIS+ HA          1.800        5.500
 &rst iat= 114, 1815, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HA   119 HIS+ HD2         1.800        4.540
 &rst iat=1815, 1827, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 119 HIS+ HB3  119 HIS+ HB2         1.800        3.050
 &rst iat=1818, 1817, r1=1.300, r2=1.800, r3=3.050, r4= 3.550,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HE1  119 HIS+ HB3         1.800        5.500
 &rst iat= 114, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HA   120 PHE  HD1         1.800        4.630
 &rst iat=1833, 1839, r1=1.300, r2=1.800, r3=4.630, r4= 5.130,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   120 PHE  HA          1.800        4.290
 &rst iat= 116, 1833, r1=1.300, r2=1.800, r3=4.290, r4= 4.790,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HB3  120 PHE  HB2         1.800        3.330
 &rst iat=1836, 1835, r1=1.300, r2=1.800, r3=3.330, r4= 3.830,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HB2  120 PHE  HD1         1.800        5.500
 &rst iat=1835, 1839, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   120 PHE  HB2         1.800        4.910
 &rst iat= 116, 1835, r1=1.300, r2=1.800, r3=4.910, r4= 5.410,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HZ   120 PHE  HB3         1.800        4.940
 &rst iat= 116, 1836, r1=1.300, r2=1.800, r3=4.940, r4= 5.440,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HB3  120 PHE  HD1         1.800        4.010
 &rst iat=1836, 1839, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 121 ASP- HB2  121 ASP- HB3         1.800        3.020
 &rst iat=1855, 1856, r1=1.300, r2=1.800, r3=3.020, r4= 3.520,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HB   121 ASP- HB3         1.800        3.640
 &rst iat=1653, 1856, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HG12 122 ALA  HA          1.800        5.500
 &rst iat=1659, 1865, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HZ   122 ALA  HA          1.800        5.500
 &rst iat=1843, 1865, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 123 SER  HB2  123 SER  HB3         1.800        2.430
 &rst iat=1877, 1878, r1=1.300, r2=1.800, r3=2.430, r4= 2.930,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HA   123 SER  HB3         1.800        5.040
 &rst iat=1632, 1878, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HE1  123 SER  HB3         1.800        4.350
 &rst iat=1841, 1878, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HE1  123 SER  HB2         1.800        5.000
 &rst iat=1841, 1877, r1=1.300, r2=1.800, r3=5.000, r4= 5.500,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  123 SER  HB3         1.800        5.100
 &rst iat=1595, 1878, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HG2  123 SER  HB3         1.800        5.190
 &rst iat=1597, 1878, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB2  123 SER  HB3         1.800        3.790
 &rst iat=1594, 1878, r1=1.300, r2=1.800, r3=3.790, r4= 4.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HG13 123 SER  HB2         1.800        5.500
 &rst iat=1250, 1877, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  81 ILE  HG13 123 SER  HB3         1.800        5.500
 &rst iat=1250, 1878, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HE3  124 VAL  HA          1.800        4.350
 &rst iat=1604, 1886, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 105 HIS+ HB2  124 VAL  HB          1.800        5.500
 &rst iat=1616, 1888, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HB2   30 MET  HG2         1.800        5.500
 &rst iat= 433,  436, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HG2   30 MET  HG3         1.800        5.500
 &rst iat= 436,  437, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HB2   30 MET  HG3         1.800        4.350
 &rst iat= 433,  437, r1=1.300, r2=1.800, r3=4.350, r4= 4.850,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 107 ILE  HG13 123 SER  HA          1.800        3.980
 &rst iat=1660, 1875, r1=1.300, r2=1.800, r3=3.980, r4= 4.480,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 106 ILE  HB   123 SER  HA          1.800        5.130
 &rst iat=1634, 1875, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 104 LYS+ HB3  123 SER  HA          1.800        5.380
 &rst iat=1595, 1875, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 120 PHE  HE1  123 SER  HA          1.800        4.570
 &rst iat=1841, 1875, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  79 MET  HA    79 MET  HG2         1.800        4.010
 &rst iat=1198, 1203, r1=1.300, r2=1.800, r3=4.010, r4= 4.510,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HA   119 HIS+ HD2         1.800        5.500
 &rst iat= 106, 1827, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  30 MET  HA    46 PHE  HZ          1.800        4.380
 &rst iat= 431,  703, r1=1.300, r2=1.800, r3=4.380, r4= 4.880,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    55 LYS+ HG3         1.800        3.240
 &rst iat= 830,  836, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA   117 PRO  HG2         1.800        3.640
 &rst iat= 830, 1787, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA    55 LYS+ HG2         1.800        3.700
 &rst iat= 830,  835, r1=1.300, r2=1.800, r3=3.700, r4= 4.200,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA   116 VAL  HB          1.800        5.500
 &rst iat= 830, 1771, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  55 LYS+ HA   117 PRO  HD2         1.800        3.640
 &rst iat= 830, 1784, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HB    40 CYSS HB2         1.800        5.500
 &rst iat= 543,  603, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  36 THR  HB    40 CYSS HB3         1.800        5.500
 &rst iat= 543,  604, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  90 SER  HB3   90 SER  HB2         1.800        2.710
 &rst iat=1372, 1371, r1=1.300, r2=1.800, r3=2.710, r4= 3.210,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB2   90 SER  HB2         1.800        4.660
 &rst iat=1324, 1371, r1=1.300, r2=1.800, r3=4.660, r4= 5.160,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB3   90 SER  HB2         1.800        3.240
 &rst iat=1325, 1371, r1=1.300, r2=1.800, r3=3.240, r4= 3.740,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB3   90 SER  HB3         1.800        4.070
 &rst iat=1325, 1372, r1=1.300, r2=1.800, r3=4.070, r4= 4.570,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  65 CYSS HB3   65 CYSS HB2         1.800        4.260
 &rst iat= 995,  994, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HN    29 MET  HG2         1.800        5.500
 &rst iat= 410,  417, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB2  106 ILE  HN          1.800        5.500
 &rst iat=1142, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB3  106 ILE  HN          1.800        5.500
 &rst iat=1143, 1630, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB3   75 SER  HB2         1.800        2.860
 &rst iat=1143, 1142, r1=1.300, r2=1.800, r3=2.860, r4= 3.360,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB2  106 ILE  HG13        1.800        4.760
 &rst iat=1142, 1641, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  75 SER  HB3  106 ILE  HG13        1.800        5.040
 &rst iat=1143, 1641, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  33 ARG+ HA    33 ARG+ HG3         1.800        4.790
 &rst iat= 476,  482, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  26 CYSS HA    84 CYSS HB3         1.800        5.500
 &rst iat= 367, 1289, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HB3   29 MET  HG3         1.800        5.500
 &rst iat= 415,  418, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  29 MET  HB3   29 MET  HG2         1.800        5.500
 &rst iat= 415,  417, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HA   119 HIS+ HB3         1.800        5.500
 &rst iat=1670, 1818, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  52 ALA  HA    55 LYS+ HD2         1.800        3.890
 &rst iat= 792,  838, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HG2   73 TYR  HA          1.800        4.510
 &rst iat= 945, 1102, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  62 LYS+ HG3   73 TYR  HE1         1.800        5.500
 &rst iat= 946, 1110, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  85 ARG+ HG2   85 ARG+ HD3         1.800        3.640
 &rst iat=1303, 1307, r1=1.300, r2=1.800, r3=3.640, r4= 4.140,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  86 GLU- HB2   90 SER  HB3         1.800        5.160
 &rst iat=1324, 1372, r1=1.300, r2=1.800, r3=5.160, r4= 5.660,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#  42 PRO  HA    86 GLU- HB2         1.800        3.760
 &rst iat= 643, 1324, r1=1.300, r2=1.800, r3=3.760, r4= 4.260,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
# 108 VAL  HB   117 PRO  HB3         1.800        4.450
 &rst iat=1672, 1791, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   8 PHE  HB3    9 GLU- HG3         1.800        5.500
 &rst iat= 109,  132, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0,  &end
#   2 GLU- HG2    4 ALA  QB          1.800        5.660
 &rst iat=  33,   -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  33,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   3 SER  HA     4 ALA  QB          1.800        5.690
 &rst iat=  43,   -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  43,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   3 SER  HB2    4 ALA  QB          1.800        6.530
 &rst iat=  45,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  45,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   4 ALA  QB     4 ALA  HA          1.800        3.770
 &rst iat=  -1,   54, r1=1.300, r2=1.800, r3=3.770, r4= 4.270,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  54,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   4 ALA  QB     7 LYS+ HB3         1.800        6.120
 &rst iat=  -1,   87, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  87,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   5 ALA  QB     5 ALA  HA          1.800        4.110
 &rst iat=  -1,   64, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  66,   67,   68,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=  64,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   5 ALA  QB   116 VAL  QG2         1.800        5.700
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=5.700, r4= 6.200,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  66,   67,   68,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1777, 1778, 1779,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   9 GLU- HA    54 VAL  QG1         1.800        6.530
 &rst iat= 126,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 126,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   9 GLU- HG2   54 VAL  QG1         1.800        5.570
 &rst iat= 131,   -1, r1=1.300, r2=1.800, r3=5.570, r4= 6.070,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 131,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   9 GLU- HG3   54 VAL  QG1         1.800        6.530
 &rst iat= 132,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 132,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  HB2   13 MET  QE          1.800        6.190
 &rst iat= 202,   -1, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 202,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  HB3   13 MET  QE          1.800        6.530
 &rst iat= 203,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 203,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   9 GLU- HB3   51 LEU  QD1         1.800        6.530
 &rst iat= 129,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 129,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 780,  781,  782,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  12 HIS+ HA    47 VAL  QG2         1.800        6.530
 &rst iat= 182,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 182,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  HA    47 VAL  QG2         1.800        6.530
 &rst iat= 200,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 200,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  HA    47 VAL  QG1         1.800        6.120
 &rst iat= 200,   -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 200,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HA    28 LEU  QD1         1.800        6.120
 &rst iat= 346,   -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 346,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HB2   99 THR  QG2         1.800        5.320
 &rst iat= 348,   -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 348,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HD1   82 THR  QG2         1.800        5.130
 &rst iat= 352,   -1, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 352,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  HA    28 LEU  QD1         1.800        3.990
 &rst iat= 393,   -1, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 393,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  HB2   28 LEU  QD1         1.800        4.360
 &rst iat= 395,   -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 395,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  28 LEU  HB3   28 LEU  QD1         1.800        4.020
 &rst iat= 396,   -1, r1=1.300, r2=1.800, r3=4.020, r4= 4.520,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 396,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 400,  401,  402,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  36 THR  HA    36 THR  QG2         1.800        4.260
 &rst iat= 541,   -1, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 541,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  96 ALA  HA    96 ALA  QB          1.800        3.490
 &rst iat=1463,   -1, r1=1.300, r2=1.800, r3=3.490, r4= 3.990,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1463,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  42 PRO  HA    43 VAL  QG1         1.800        6.530
 &rst iat= 643,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 643,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  42 PRO  HB2   43 VAL  QG1         1.800        4.570
 &rst iat= 640,   -1, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 640,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  42 PRO  HG2   43 VAL  QG1         1.800        5.070
 &rst iat= 637,   -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 637,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  HA    43 VAL  QG1         1.800        3.680
 &rst iat= 649,   -1, r1=1.300, r2=1.800, r3=3.680, r4= 4.180,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 649,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  HA    81 ILE  QG2         1.800        3.860
 &rst iat=1241,   -1, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1241,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   43 VAL  HB          1.800        4.510
 &rst iat=  -1,  651, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 651,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  95 CYSS HA    96 ALA  QB          1.800        6.530
 &rst iat=1451,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1451,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2  104 LYS+ HA          1.800        4.080
 &rst iat=  -1, 1592, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1592,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  HA    45 THR  QG2         1.800        4.170
 &rst iat= 679,   -1, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 679,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  HB    45 THR  QG2         1.800        3.740
 &rst iat= 681,   -1, r1=1.300, r2=1.800, r3=3.740, r4= 4.240,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 681,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  46 PHE  HA    47 VAL  QG2         1.800        6.310
 &rst iat= 693,   -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 693,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HA    81 ILE  QG2         1.800        3.830
 &rst iat= 713,   -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 713,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG2   82 THR  HN          1.800        6.190
 &rst iat=  -1, 1258, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1258,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HA    47 VAL  QG2         1.800        5.660
 &rst iat= 713,   -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 713,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HB    47 VAL  QG2         1.800        4.420
 &rst iat= 715,   -1, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 715,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 721,  722,  723,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG1   82 THR  HN          1.800        6.530
 &rst iat=  -1, 1258, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1258,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HA    47 VAL  QG1         1.800        4.450
 &rst iat= 713,   -1, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 713,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  HB    47 VAL  QG1         1.800        3.610
 &rst iat= 715,   -1, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 715,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG1   49 GLU- HB3         1.800        5.470
 &rst iat=  -1,  750, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 750,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  47 VAL  QG1   49 GLU- HB2         1.800        6.530
 &rst iat=  -1,  749, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 717,  718,  719,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 749,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    51 LEU  HA          1.800        4.140
 &rst iat=  -1,  773, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 773,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HA    51 LEU  QD2         1.800        5.010
 &rst iat= 773,   -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 773,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    51 LEU  HB3         1.800        5.880
 &rst iat=  -1,  776, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 776,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    51 LEU  HB2         1.800        5.880
 &rst iat=  -1,  775, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 775,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HB3   51 LEU  QD2         1.800        4.390
 &rst iat= 776,   -1, r1=1.300, r2=1.800, r3=4.390, r4= 4.890,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 776,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  QD1   51 LEU  HG          1.800        4.390
 &rst iat=  -1,  778, r1=1.300, r2=1.800, r3=4.390, r4= 4.890,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 780,  781,  782,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 778,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HG    51 LEU  QD2         1.800        4.300
 &rst iat= 778,   -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 778,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  HB2   51 LEU  QD2         1.800        3.830
 &rst iat= 775,   -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 775,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  52 ALA  QB    52 ALA  HA          1.800        3.680
 &rst iat=  -1,  792, r1=1.300, r2=1.800, r3=3.680, r4= 4.180,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 794,  795,  796,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 792,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  51 LEU  QD2   52 ALA  HA          1.800        6.530
 &rst iat=  -1,  792, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 784,  785,  786,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 792,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  53 ASP- HB2   54 VAL  QG2         1.800        6.470
 &rst iat= 804,   -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 804,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    53 ASP- HB3         1.800        6.160
 &rst iat=  -1,  805, r1=1.300, r2=1.800, r3=6.160, r4= 6.660,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 805,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  53 ASP- HB3   56 ALA  QB          1.800        6.530
 &rst iat= 805,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 805,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  53 ASP- HB3   54 VAL  QG2         1.800        6.530
 &rst iat= 805,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 805,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HA    54 VAL  QG2         1.800        3.430
 &rst iat= 814,   -1, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 814,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HA    57 VAL  QG2         1.800        5.690
 &rst iat= 814,   -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 814,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  QG1   54 VAL  HB          1.800        3.990
 &rst iat=  -1,  816, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 816,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    54 VAL  QG2         1.800        6.590
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=6.590, r4= 7.090,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HB    54 VAL  QG2         1.800        4.230
 &rst iat= 816,   -1, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 816,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HN    54 VAL  QG2         1.800        4.230
 &rst iat= 812,   -1, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 812,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 822,  823,  824,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  QG1  117 PRO  HG2         1.800        4.610
 &rst iat=  -1, 1787, r1=1.300, r2=1.800, r3=4.610, r4= 5.110,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1787,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HA    54 VAL  QG1         1.800        4.790
 &rst iat= 814,   -1, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 814,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    54 VAL  QG1         1.800        7.340
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=7.340, r4= 7.840,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  QG1   58 CYSS HN          1.800        5.500
 &rst iat=  -1,  876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 876,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   8 PHE  HZ    54 VAL  QG1         1.800        4.610
 &rst iat= 116,   -1, r1=1.300, r2=1.800, r3=4.610, r4= 5.110,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 116,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  QG1   55 LYS+ HN          1.800        6.530
 &rst iat=  -1,  828, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 818,  819,  820,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 828,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  56 ALA  QB    56 ALA  HA          1.800        3.830
 &rst iat=  -1,  852, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 852,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  HA    57 VAL  QG1         1.800        4.080
 &rst iat= 862,   -1, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 862,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  56 ALA  QB    57 VAL  HA          1.800        6.500
 &rst iat=  -1,  862, r1=1.300, r2=1.800, r3=6.500, r4= 7.000,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 854,  855,  856,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 862,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   57 VAL  HB          1.800        4.050
 &rst iat=  -1,  864, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 864,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   57 VAL  QG2         1.800        5.320
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  HB    57 VAL  QG2         1.800        3.740
 &rst iat= 864,   -1, r1=1.300, r2=1.800, r3=3.740, r4= 4.240,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 864,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  HA    57 VAL  QG2         1.800        4.330
 &rst iat= 862,   -1, r1=1.300, r2=1.800, r3=4.330, r4= 4.830,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 862,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  HN    57 VAL  QG2         1.800        5.660
 &rst iat= 860,   -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 860,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  54 VAL  HA    57 VAL  QG1         1.800        4.950
 &rst iat= 814,   -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 814,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   58 CYSS HN          1.800        6.530
 &rst iat=  -1,  876, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 876,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  HN    57 VAL  QG1         1.800        4.360
 &rst iat= 860,   -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 860,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  62 LYS+ HA    63 VAL  QG1         1.800        5.350
 &rst iat= 940,   -1, r1=1.300, r2=1.800, r3=5.350, r4= 5.850,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 940,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HA    63 VAL  QG2         1.800        4.200
 &rst iat= 962,   -1, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 962,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HA    63 VAL  QG1         1.800        3.610
 &rst iat= 962,   -1, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 962,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   63 VAL  QG2         1.800        5.260
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=5.260, r4= 5.760,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2  107 ILE  HB          1.800        6.430
 &rst iat=  -1, 1653, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1653,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   74 GLN  HB3         1.800        5.810
 &rst iat=  -1, 1126, r1=1.300, r2=1.800, r3=5.810, r4= 6.310,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1126,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   74 GLN  HB2         1.800        5.010
 &rst iat=  -1, 1125, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1125,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HB    63 VAL  QG2         1.800        4.080
 &rst iat= 964,   -1, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 964,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   72 CYSS HB2         1.800        5.040
 &rst iat=  -1, 1092, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1092,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   74 GLN  HN          1.800        6.430
 &rst iat=  -1, 1121, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1121,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  HB    63 VAL  QG1         1.800        3.830
 &rst iat= 964,   -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 964,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   74 GLN  HB2         1.800        3.860
 &rst iat=  -1, 1125, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1125,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   74 GLN  HB3         1.800        4.640
 &rst iat=  -1, 1126, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1126,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  HA    64 THR  QG2         1.800        4.050
 &rst iat= 978,   -1, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 978,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   66 LYS+ HA          1.800        6.530
 &rst iat=  -1, 1004, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1004,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   68 GLY  HA2         1.800        4.110
 &rst iat=  -1, 1039, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1039,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   68 GLY  HA1         1.800        4.170
 &rst iat=  -1, 1038, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1038,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  70 THR  HA    70 THR  QG2         1.800        3.920
 &rst iat=1062,   -1, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1062,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1066, 1067, 1068,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  70 THR  QG2   70 THR  HB          1.800        3.580
 &rst iat=  -1, 1064, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1066, 1067, 1068,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1064,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  70 THR  QG2   71 ASN  HA          1.800        6.530
 &rst iat=  -1, 1076, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1066, 1067, 1068,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1076,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  72 CYSS HA   109 ALA  QB          1.800        6.530
 &rst iat=1090,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1090,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2   73 TYR  HA          1.800        5.100
 &rst iat=  -1, 1102, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1102,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG1   73 TYR  HA          1.800        4.760
 &rst iat=  -1, 1102, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 966,  967,  968,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1102,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   75 SER  HA          1.800        4.730
 &rst iat=  -1, 1140, r1=1.300, r2=1.800, r3=4.730, r4= 5.230,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1140,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG2   75 SER  HA          1.800        5.070
 &rst iat=  -1, 1140, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1140,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  77 SER  HA    78 THR  QG2         1.800        5.190
 &rst iat=1173,   -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1173,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  77 SER  HB2   78 THR  QG2         1.800        6.530
 &rst iat=1175,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1175,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  HA    78 THR  QG2         1.800        3.490
 &rst iat=1184,   -1, r1=1.300, r2=1.800, r3=3.490, r4= 3.990,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1184,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2   78 THR  HB          1.800        3.430
 &rst iat=  -1, 1186, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1186,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2  105 HIS+ HD2         1.800        6.530
 &rst iat=  -1, 1626, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1626,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2  104 LYS+ HN          1.800        6.530
 &rst iat=  -1, 1590, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1590,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2   79 MET  HN          1.800        5.230
 &rst iat=  -1, 1196, r1=1.300, r2=1.800, r3=5.230, r4= 5.730,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1196,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  79 MET  HG2  106 ILE  QG2         1.800        6.530
 &rst iat=1203,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1203,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  79 MET  HG3  106 ILE  QG2         1.800        6.090
 &rst iat=1204,   -1, r1=1.300, r2=1.800, r3=6.090, r4= 6.590,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1204,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  QG2   81 ILE  HB          1.800        3.920
 &rst iat=  -1, 1243, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1245, 1246, 1247,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1243,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  QD1   81 ILE  HG13        1.800        4.670
 &rst iat=  -1, 1250, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1252, 1253, 1254,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1250,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  QD1   81 ILE  HG12        1.800        4.080
 &rst iat=  -1, 1249, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1252, 1253, 1254,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1249,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  82 THR  HA    82 THR  QG2         1.800        4.360
 &rst iat=1260,   -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1260,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  82 THR  QG2   82 THR  HB          1.800        4.080
 &rst iat=  -1, 1262, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1262,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  83 ASP- HB2  100 THR  QG2         1.800        6.160
 &rst iat=1276,   -1, r1=1.300, r2=1.800, r3=6.160, r4= 6.660,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1276,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   83 ASP- HB2         1.800        6.120
 &rst iat=  -1, 1276, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1276,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   83 ASP- HB3         1.800        6.430
 &rst iat=  -1, 1277, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1277,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  83 ASP- HB3  100 THR  QG2         1.800        5.130
 &rst iat=1277,   -1, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1277,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   85 ARG+ HB3         1.800        6.530
 &rst iat=  -1, 1301, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1301,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   85 ARG+ HB2         1.800        5.410
 &rst iat=  -1, 1300, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1300,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   85 ARG+ HD2         1.800        5.440
 &rst iat=  -1, 1306, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1306,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  43 VAL  QG1   85 ARG+ HD3         1.800        5.600
 &rst iat=  -1, 1307, r1=1.300, r2=1.800, r3=5.600, r4= 6.100,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 653,  654,  655,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1307,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  86 GLU- HA    87 THR  QG2         1.800        6.530
 &rst iat=1322,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1322,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  HA    87 THR  QG2         1.800        4.300
 &rst iat=1337,   -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1337,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   87 THR  HB          1.800        3.610
 &rst iat=  -1, 1339, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1339,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  90 SER  HA    96 ALA  QB          1.800        4.300
 &rst iat=1369,   -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1369,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  90 SER  HN    96 ALA  QB          1.800        5.070
 &rst iat=1367,   -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1367,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   98 LYS+ HA          1.800        6.530
 &rst iat=  -1, 1494, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1494,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  99 THR  HA    99 THR  QG2         1.800        3.950
 &rst iat=1516,   -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1516,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  99 THR  QG2   99 THR  HB          1.800        3.950
 &rst iat=  -1, 1518, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1518,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HD1   99 THR  QG2         1.800        5.040
 &rst iat= 352,   -1, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 352,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1520, 1521, 1522,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  HA   100 THR  QG2         1.800        3.430
 &rst iat=1530,   -1, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1530,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  QG2  100 THR  HB          1.800        3.710
 &rst iat=  -1, 1532, r1=1.300, r2=1.800, r3=3.710, r4= 4.210,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1532,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  HB   102 VAL  QG1         1.800        5.940
 &rst iat=1532,   -1, r1=1.300, r2=1.800, r3=5.940, r4= 6.440,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1532,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 101 GLN  HA   102 VAL  QG1         1.800        6.530
 &rst iat=1544,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1544,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 101 GLN  HA   102 VAL  QG2         1.800        6.530
 &rst iat=1544,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1544,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 100 THR  QG2  102 VAL  HA          1.800        6.470
 &rst iat=  -1, 1561, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1534, 1535, 1536,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1561,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HA   102 VAL  QG1         1.800        4.050
 &rst iat=1561,   -1, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1561,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HA   102 VAL  QG2         1.800        4.510
 &rst iat=1561,   -1, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1561,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  QG1  102 VAL  QG2         1.800        4.640
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HB   102 VAL  QG2         1.800        4.110
 &rst iat=1563,   -1, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1563,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HB   102 VAL  QG1         1.800        4.020
 &rst iat=1563,   -1, r1=1.300, r2=1.800, r3=4.020, r4= 4.520,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1563,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  QG1  104 LYS+ HE3         1.800        4.760
 &rst iat=  -1, 1604, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1604,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  HN   102 VAL  QG1         1.800        6.530
 &rst iat=1559,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1559,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1565, 1566, 1567,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 102 VAL  QG2  103 GLU- HA          1.800        5.290
 &rst iat=  -1, 1577, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1569, 1570, 1571,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1577,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 104 LYS+ HB3  124 VAL  QG2         1.800        4.790
 &rst iat=1595,   -1, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1595,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1894, 1895, 1896,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 104 LYS+ HB3  106 ILE  QG2         1.800        6.530
 &rst iat=1595,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1595,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 104 LYS+ HB2  106 ILE  QG2         1.800        6.530
 &rst iat=1594,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1594,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 104 LYS+ HG2  124 VAL  QG2         1.800        4.330
 &rst iat=1597,   -1, r1=1.300, r2=1.800, r3=4.330, r4= 4.830,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1597,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1894, 1895, 1896,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 104 LYS+ HE3  124 VAL  QG2         1.800        4.420
 &rst iat=1604,   -1, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1604,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1894, 1895, 1896,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  78 THR  QG2  105 HIS+ HA          1.800        4.480
 &rst iat=  -1, 1614, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1188, 1189, 1190,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1614,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  HA   106 ILE  QG2         1.800        4.140
 &rst iat=1632,   -1, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1632,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  HB   108 VAL  QG1         1.800        5.070
 &rst iat=1634,   -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1634,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QG2  106 ILE  HB          1.800        3.430
 &rst iat=  -1, 1634, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1634,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QG2  106 ILE  HG12        1.800        5.720
 &rst iat=  -1, 1640, r1=1.300, r2=1.800, r3=5.720, r4= 6.220,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1640,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QG2  120 PHE  HE1         1.800        5.320
 &rst iat=  -1, 1841, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1841,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  HN   106 ILE  QG2         1.800        6.530
 &rst iat=1630,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1630,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2  107 ILE  HG12        1.800        5.850
 &rst iat=  -1, 1659, r1=1.300, r2=1.800, r3=5.850, r4= 6.350,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1659,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2  107 ILE  HG13        1.800        6.190
 &rst iat=  -1, 1660, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1660,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  HA   107 ILE  QG2         1.800        5.190
 &rst iat=1651,   -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1651,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  72 CYSS HB3  107 ILE  QG2         1.800        5.010
 &rst iat=1093,   -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1093,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  63 VAL  QG2  107 ILE  QG2         1.800        7.370
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=7.370, r4= 7.870,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  107 ILE  HG13        1.800        6.530
 &rst iat=  -1, 1660, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1660,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  108 VAL  HN          1.800        6.470
 &rst iat=  -1, 1668, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1668,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HA   108 VAL  QG2         1.800        5.230
 &rst iat=1670,   -1, r1=1.300, r2=1.800, r3=5.230, r4= 5.730,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1670,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HA   108 VAL  QG1         1.800        4.510
 &rst iat=1670,   -1, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1670,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  87 THR  QG2   97 TYR  HA          1.800        5.010
 &rst iat=  -1, 1473, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1341, 1342, 1343,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1473,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HA   109 ALA  QB          1.800        5.880
 &rst iat=1670,   -1, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1670,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HB   109 ALA  QB          1.800        6.530
 &rst iat=1672,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1672,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QD1  108 VAL  QG2         1.800        7.400
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=7.400, r4= 7.900,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1643, 1644, 1645,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HB   108 VAL  QG2         1.800        4.700
 &rst iat=1672,   -1, r1=1.300, r2=1.800, r3=4.700, r4= 5.200,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1672,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  109 ALA  HN          1.800        6.530
 &rst iat=  -1, 1684, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1684,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HN   108 VAL  QG2         1.800        4.950
 &rst iat=1668,   -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1668,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  120 PHE  HB2         1.800        4.850
 &rst iat=  -1, 1835, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1835,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HB   108 VAL  QG1         1.800        4.480
 &rst iat=1672,   -1, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1672,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  120 PHE  HA          1.800        4.760
 &rst iat=  -1, 1833, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1833,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  120 PHE  HD1         1.800        6.530
 &rst iat=  -1, 1839, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1839,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   8 PHE  HE1  108 VAL  QG1         1.800        5.630
 &rst iat= 114,   -1, r1=1.300, r2=1.800, r3=5.630, r4= 6.130,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 114,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   8 PHE  HZ   108 VAL  QG1         1.800        5.100
 &rst iat= 116,   -1, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 116,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  109 ALA  HN          1.800        6.530
 &rst iat=  -1, 1684, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1684,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  HN   108 VAL  QG1         1.800        6.530
 &rst iat=1668,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1668,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   109 ALA  HA          1.800        4.110
 &rst iat=  -1, 1686, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1686,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  109 ALA  HA          1.800        5.410
 &rst iat=  -1, 1686, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1686,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  109 ALA  QB          1.800        7.180
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=7.180, r4= 7.680,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   8 PHE  HE1  109 ALA  QB          1.800        6.340
 &rst iat= 114,   -1, r1=1.300, r2=1.800, r3=6.340, r4= 6.840,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 114,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  HN   109 ALA  QB          1.800        5.010
 &rst iat=1684,   -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1684,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 110 CYSS HA   118 VAL  QG2         1.800        4.920
 &rst iat=1696,   -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1696,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 110 CYSS HA   118 VAL  QG1         1.800        5.690
 &rst iat=1696,   -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1696,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   110 CYSS HA          1.800        6.530
 &rst iat=  -1, 1696, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1696,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HA1  118 VAL  QG1         1.800        6.530
 &rst iat=1708,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1708,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HA1  118 VAL  QG2         1.800        5.880
 &rst iat=1708,   -1, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1708,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HA2  118 VAL  QG2         1.800        4.730
 &rst iat=1709,   -1, r1=1.300, r2=1.800, r3=4.730, r4= 5.230,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1709,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 111 GLY  HA2  118 VAL  QG1         1.800        5.380
 &rst iat=1709,   -1, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1709,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 112 GLY  HA2  118 VAL  QG1         1.800        6.530
 &rst iat=1716,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1716,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 114 PRO  HB2  116 VAL  QG1         1.800        4.850
 &rst iat=1749,   -1, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1749,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 114 PRO  HD3  116 VAL  QG1         1.800        6.530
 &rst iat=1744,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1744,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 115 SER  HA   116 VAL  QG1         1.800        4.920
 &rst iat=1758,   -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1758,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  HA   116 VAL  QG1         1.800        3.950
 &rst iat=1769,   -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1769,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  HA   116 VAL  QG2         1.800        6.500
 &rst iat=1769,   -1, r1=1.300, r2=1.800, r3=6.500, r4= 7.000,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1769,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1777, 1778, 1779,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  HB   116 VAL  QG2         1.800        4.850
 &rst iat=1771,   -1, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1771,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1777, 1778, 1779,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  HB   116 VAL  QG1         1.800        3.860
 &rst iat=1771,   -1, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1771,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  QG1  116 VAL  QG2         1.800        4.460
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=4.460, r4= 4.960,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1777, 1778, 1779,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  QG2  117 PRO  HA          1.800        5.440
 &rst iat=  -1, 1793, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1777, 1778, 1779,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1793,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  117 PRO  HA          1.800        4.670
 &rst iat=  -1, 1793, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1793,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  117 PRO  HB3         1.800        6.030
 &rst iat=  -1, 1791, r1=1.300, r2=1.800, r3=6.030, r4= 6.530,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1791,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG1  117 PRO  HB2         1.800        6.530
 &rst iat=  -1, 1790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1674, 1675, 1676,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1790,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  117 PRO  HB2         1.800        6.530
 &rst iat=  -1, 1790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1790,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 108 VAL  QG2  117 PRO  HG2         1.800        4.950
 &rst iat=  -1, 1787, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1678, 1679, 1680,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1787,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  QG1  117 PRO  HD3         1.800        5.070
 &rst iat=  -1, 1785, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1785,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 116 VAL  QG1  117 PRO  HD2         1.800        4.540
 &rst iat=  -1, 1784, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1784,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  HA   118 VAL  QG2         1.800        5.070
 &rst iat=1799,   -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1799,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#   4 ALA  QB   118 VAL  HB          1.800        4.670
 &rst iat=  -1, 1801, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=  56,   57,   58,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1801,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG2  118 VAL  HB          1.800        4.140
 &rst iat=  -1, 1801, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1801,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG2  118 VAL  QG1         1.800        6.070
 &rst iat=  -1,   -1, r1=1.300, r2=1.800, r3=6.070, r4= 6.570,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  HB   118 VAL  QG1         1.800        3.950
 &rst iat=1801,   -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1801,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  HA   118 VAL  QG1         1.800        3.920
 &rst iat=1799,   -1, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1799,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  HN   118 VAL  QG1         1.800        6.470
 &rst iat=1797,   -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1797,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1803, 1804, 1805,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   119 HIS+ HA          1.800        6.220
 &rst iat=  -1, 1815, r1=1.300, r2=1.800, r3=6.220, r4= 6.720,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1815,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   119 HIS+ HB2         1.800        4.820
 &rst iat=  -1, 1817, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1817,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 109 ALA  QB   119 HIS+ HB3         1.800        4.570
 &rst iat=  -1, 1818, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1688, 1689, 1690,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1818,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG2  119 HIS+ HB3         1.800        5.410
 &rst iat=  -1, 1818, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1818,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 118 VAL  QG2  119 HIS+ HB2         1.800        6.060
 &rst iat=  -1, 1817, r1=1.300, r2=1.800, r3=6.060, r4= 6.560,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1807, 1808, 1809,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1817,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  121 ASP- HB3         1.800        4.640
 &rst iat=  -1, 1856, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1856,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  QG2  121 ASP- HB2         1.800        4.670
 &rst iat=  -1, 1855, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1655, 1656, 1657,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1855,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 122 ALA  QB   122 ALA  HA          1.800        3.550
 &rst iat=  -1, 1865, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1867, 1868, 1869,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1865,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 107 ILE  HG12 122 ALA  QB          1.800        5.190
 &rst iat=1659,   -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1659,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1867, 1868, 1869,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  QD1  123 SER  HB3         1.800        4.540
 &rst iat=  -1, 1878, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1252, 1253, 1254,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1878,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  81 ILE  QD1  123 SER  HB2         1.800        4.670
 &rst iat=  -1, 1877, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1252, 1253, 1254,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1877,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 124 VAL  HA   124 VAL  QG1         1.800        4.200
 &rst iat=1886,   -1, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1886,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1890, 1891, 1892,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 124 VAL  QG1  124 VAL  HB          1.800        3.990
 &rst iat=  -1, 1888, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1890, 1891, 1892,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1888,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 105 HIS+ HB2  124 VAL  QG1         1.800        5.290
 &rst iat=1616,   -1, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1616,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1890, 1891, 1892,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  62 LYS+ HA    63 VAL  QG2         1.800        6.530
 &rst iat= 940,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 940,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 970,  971,  972,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
# 106 ILE  QG2  123 SER  HA          1.800        4.950
 &rst iat=  -1, 1875, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1636, 1637, 1638,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1875,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  55 LYS+ HA   116 VAL  QG1         1.800        6.530
 &rst iat= 830,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 830,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1773, 1774, 1775,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  36 THR  QG2   36 THR  HB          1.800        3.710
 &rst iat=  -1,  543, r1=1.300, r2=1.800, r3=3.710, r4= 4.210,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 545,  546,  547,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 543,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  64 THR  QG2   64 THR  HB          1.800        3.890
 &rst iat=  -1,  980, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 982,  983,  984,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 980,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  90 SER  HB2   96 ALA  QB          1.800        4.920
 &rst iat=1371,   -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1371,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1465, 1466, 1467,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  13 MET  QE    50 SER  HB2         1.800        5.290
 &rst iat=  -1,  764, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 211,  212,  213,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 764,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG1   75 SER  HB2         1.800        4.260
 &rst iat=  -1, 1142, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 866,  867,  868,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1142,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG2   75 SER  HB2         1.800        4.700
 &rst iat=  -1, 1142, r1=1.300, r2=1.800, r3=4.700, r4= 5.200,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1142,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  57 VAL  QG2   75 SER  HB3         1.800        4.950
 &rst iat=  -1, 1143, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 870,  871,  872,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1143,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   81 ILE  HB          1.800        4.140
 &rst iat=  -1, 1243, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1243,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  12 HIS+ HD2   45 THR  QG2         1.800        6.470
 &rst iat= 194,   -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 194,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  45 THR  QG2   46 PHE  HN          1.800        4.920
 &rst iat=  -1,  691, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 683,  684,  685,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2= 691,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  82 THR  QG2   99 THR  HA          1.800        6.530
 &rst iat=  -1, 1516, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1516,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#  25 TYR  HE1   82 THR  QG2         1.800        6.530
 &rst iat= 354,   -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
      rk2=0.000, rk3= 16.000, ir6=0, 
 igr1= 354,    0,    0,    0,    0,    0, 
         0,    0,    0,    0,    0,    0, 
 igr2=1264, 1265, 1266,    0,    0,    0, 
         0,    0,    0,    0,    0,    0,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  CD NZ HE2 HE3
 &rst iat=13,19,17,18, &end
#
#  chirality for residue 1 atoms:  CG CE HD2 HD3
 &rst iat=10,16,14,15, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,23,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=27,32,30,31, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=29,35,33,34, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=25,38,28,29, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=42,47,45,46, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=40,49,43,44, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=51,59,54,55, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=61,69,64,65, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=71,79,74,75, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=83,88,86,87, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=85,91,89,90, &end
#
#  chirality for residue 7 atoms:  CD NZ HE2 HE3
 &rst iat=91,97,95,96, &end
#
#  chirality for residue 7 atoms:  CG CE HD2 HD3
 &rst iat=88,94,92,93, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=81,101,84,85, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=105,110,108,109, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=103,121,106,107, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=125,130,128,129, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=127,133,131,132, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=123,136,126,127, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=140,145,143,144, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=142,148,146,147, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=145,151,149,150, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=138,160,141,142, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=166,172,170,171, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=162,177,165,166, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=181,186,184,185, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=179,195,182,183, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=199,204,202,203, &end
#
#  chirality for residue 13 atoms:  CB SD HG2 HG3
 &rst iat=201,207,205,206, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=197,214,200,201, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=218,223,221,222, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=216,226,219,220, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=230,235,233,234, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=228,237,231,232, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=239,244,242,243, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=248,253,251,252, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=246,258,249,250, &end
#
#  chirality for residue 18 atoms:  CA OG HB2 HB3
 &rst iat=262,267,265,266, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=260,269,263,264, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=281,275,279,280, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=278,272,276,277, &end
#
#  chirality for residue 19 atoms:  CG N HD2 HD3
 &rst iat=275,271,273,274, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=271,283,282,278, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=285,294,288,289, &end
#
#  chirality for residue 21 atoms:  CA OG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=296,305,299,300, &end
#
#  chirality for residue 22 atoms:  CA OG HB2 HB3
 &rst iat=309,314,312,313, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=307,316,310,311, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=318,327,321,322, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=331,336,334,335, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=329,341,332,333, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=345,350,348,349, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=343,362,346,347, &end
#
#  chirality for residue 26 atoms:  CA SG HB2 HB3
 &rst iat=366,371,369,370, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=364,374,367,368, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=376,388,379,380, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=392,397,395,396, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=394,399,403,398, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=390,407,393,394, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 29 atoms:  CB SD HG2 HG3
 &rst iat=413,419,417,418, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=409,426,412,413, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=430,435,433,434, &end
#
#  chirality for residue 30 atoms:  CB SD HG2 HG3
 &rst iat=432,438,436,437, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=428,445,431,432, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=449,454,452,453, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=447,458,450,451, &end
#
#  chirality for residue 32 atoms:  CA SG HB2 HB3
 &rst iat=462,467,465,466, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=460,471,463,464, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=475,480,478,479, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=477,483,481,482, &end
#
#  chirality for residue 33 atoms:  CG NE HD2 HD3
 &rst iat=480,486,484,485, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=473,495,476,477, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=499,504,502,503, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=501,507,505,506, &end
#
#  chirality for residue 34 atoms:  CD NZ HE2 HE3
 &rst iat=507,513,511,512, &end
#
#  chirality for residue 34 atoms:  CG CE HD2 HD3
 &rst iat=504,510,508,509, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=497,517,500,501, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 35 atoms:  CB SD HG2 HG3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=519,536,522,523, &end
#
#  chirality for residue 36 atoms:  CA CG2 OG1 HB
 &rst iat=540,544,548,543, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=538,550,541,542, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=554,559,557,558, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=556,562,560,561, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=552,567,555,556, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=569,574,572,573, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=578,583,581,582, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=586,592,590,591, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=583,589,587,588, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=576,596,579,580, &end
#
#  chirality for residue 40 atoms:  CA SG HB2 HB3
 &rst iat=600,605,603,604, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=598,608,601,602, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=612,617,615,616, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=614,620,618,619, &end
#
#  chirality for residue 41 atoms:  CD NZ HE2 HE3
 &rst iat=620,626,624,625, &end
#
#  chirality for residue 41 atoms:  CG CE HD2 HD3
 &rst iat=617,623,621,622, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=610,630,613,614, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=642,636,640,641, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=639,633,637,638, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=636,632,634,635, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=632,644,643,639, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=648,652,656,651, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=646,660,649,650, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=664,669,667,668, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=662,674,665,666, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=678,682,686,681, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=676,688,679,680, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=690,708,693,694, &end
#
#  chirality for residue 47 atoms:  CA CG1 CG2 HB
 &rst iat=712,716,720,715, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=710,724,713,714, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=728,733,731,732, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=726,742,729,730, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=746,751,749,750, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=748,754,752,753, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=744,757,747,748, &end
#
#  chirality for residue 50 atoms:  CA OG HB2 HB3
 &rst iat=761,766,764,765, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=759,768,762,763, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=772,777,775,776, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=774,779,783,778, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=770,787,773,774, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=789,797,792,793, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=801,806,804,805, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=799,809,802,803, &end
#
#  chirality for residue 54 atoms:  CA CG1 CG2 HB
 &rst iat=813,817,821,816, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=811,825,814,815, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=829,834,832,833, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=831,837,835,836, &end
#
#  chirality for residue 55 atoms:  CD NZ HE2 HE3
 &rst iat=837,843,841,842, &end
#
#  chirality for residue 55 atoms:  CG CE HD2 HD3
 &rst iat=834,840,838,839, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=827,847,830,831, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=849,857,852,853, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=861,865,869,864, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=859,873,862,863, &end
#
#  chirality for residue 58 atoms:  CA SG HB2 HB3
 &rst iat=877,882,880,881, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=875,885,878,879, &end
#
#  chirality for residue 59 atoms:  CA OG HB2 HB3
 &rst iat=889,894,892,893, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=887,896,890,891, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=900,905,903,904, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=902,908,906,907, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=898,913,901,902, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=917,922,920,921, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=919,925,923,924, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=925,931,929,930, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=915,935,918,919, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=939,944,942,943, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=941,947,945,946, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=947,953,951,952, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=937,957,940,941, &end
#
#  chirality for residue 63 atoms:  CA CG1 CG2 HB
 &rst iat=961,965,969,964, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=959,973,962,963, &end
#
#  chirality for residue 64 atoms:  CA CG2 OG1 HB
 &rst iat=977,981,985,980, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=975,987,978,979, &end
#
#  chirality for residue 65 atoms:  CA SG HB2 HB3
 &rst iat=991,996,994,995, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=989,999,992,993, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1003,1008,1006,1007, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1005,1011,1009,1010, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=1011,1017,1015,1016, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=1008,1014,1012,1013, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1001,1021,1004,1005, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1025,1030,1028,1029, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1023,1033,1026,1027, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1035,1040,1038,1039, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1044,1049,1047,1048, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1046,1052,1050,1051, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1042,1057,1045,1046, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1061,1065,1069,1064, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1059,1071,1062,1063, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1075,1080,1078,1079, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1073,1085,1076,1077, &end
#
#  chirality for residue 72 atoms:  CA SG HB2 HB3
 &rst iat=1089,1094,1092,1093, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1087,1097,1090,1091, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1099,1118,1102,1103, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1122,1127,1125,1126, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1124,1130,1128,1129, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1120,1135,1123,1124, &end
#
#  chirality for residue 75 atoms:  CA OG HB2 HB3
 &rst iat=1139,1144,1142,1143, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1137,1146,1140,1141, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1150,1155,1153,1154, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1152,1158,1156,1157, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1158,1164,1162,1163, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1155,1161,1159,1160, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1148,1168,1151,1152, &end
#
#  chirality for residue 77 atoms:  CA OG HB2 HB3
 &rst iat=1172,1177,1175,1176, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1170,1179,1173,1174, &end
#
#  chirality for residue 78 atoms:  CA CG2 OG1 HB
 &rst iat=1183,1187,1191,1186, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1181,1193,1184,1185, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1199,1205,1203,1204, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1195,1212,1198,1199, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1216,1221,1219,1220, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1218,1224,1222,1223, &end
#
#  chirality for residue 80 atoms:  CG NE HD2 HD3
 &rst iat=1221,1227,1225,1226, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1214,1236,1217,1218, &end
#
#  chirality for residue 81 atoms:  CA CG2 CG1 HB
 &rst iat=1240,1244,1248,1243, &end
#
#  chirality for residue 81 atoms:  CB CD1 2HG1 3HG1
 &rst iat=1242,1251,1249,1250, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1238,1255,1241,1242, &end
#
#  chirality for residue 82 atoms:  CA CG2 OG1 HB
 &rst iat=1259,1263,1267,1262, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1257,1269,1260,1261, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1273,1278,1276,1277, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1271,1281,1274,1275, &end
#
#  chirality for residue 84 atoms:  CA SG HB2 HB3
 &rst iat=1285,1290,1288,1289, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1283,1293,1286,1287, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1297,1302,1300,1301, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1299,1305,1303,1304, &end
#
#  chirality for residue 85 atoms:  CG NE HD2 HD3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1295,1317,1298,1299, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1321,1326,1324,1325, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1319,1332,1322,1323, &end
#
#  chirality for residue 87 atoms:  CA CG2 OG1 HB
 &rst iat=1336,1340,1344,1339, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1334,1346,1337,1338, &end
#
#  chirality for residue 88 atoms:  N C HA2 HA3
 &rst iat=1348,1353,1351,1352, &end
#
#  chirality for residue 89 atoms:  CA OG HB2 HB3
 &rst iat=1357,1362,1360,1361, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1355,1364,1358,1359, &end
#
#  chirality for residue 90 atoms:  CA OG HB2 HB3
 &rst iat=1368,1373,1371,1372, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1366,1375,1369,1370, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1379,1384,1382,1383, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1381,1387,1385,1386, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1387,1393,1391,1392, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1384,1390,1388,1389, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1377,1397,1380,1381, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1399,1418,1402,1403, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1430,1424,1428,1429, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1427,1421,1425,1426, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1424,1420,1422,1423, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1420,1432,1431,1427, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1436,1441,1439,1440, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1434,1446,1437,1438, &end
#
#  chirality for residue 95 atoms:  CA SG HB2 HB3
 &rst iat=1450,1455,1453,1454, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1448,1458,1451,1452, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1460,1468,1463,1464, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1472,1477,1475,1476, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1470,1489,1473,1474, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1493,1498,1496,1497, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1495,1501,1499,1500, &end
#
#  chirality for residue 98 atoms:  CD NZ HE2 HE3
 &rst iat=1501,1507,1505,1506, &end
#
#  chirality for residue 98 atoms:  CG CE HD2 HD3
 &rst iat=1498,1504,1502,1503, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1491,1511,1494,1495, &end
#
#  chirality for residue 99 atoms:  CA CG2 OG1 HB
 &rst iat=1515,1519,1523,1518, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1513,1525,1516,1517, &end
#
#  chirality for residue 100 atoms:  CA CG2 OG1 HB
 &rst iat=1529,1533,1537,1532, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1527,1539,1530,1531, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1543,1548,1546,1547, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1545,1551,1549,1550, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1541,1556,1544,1545, &end
#
#  chirality for residue 102 atoms:  CA CG1 CG2 HB
 &rst iat=1560,1564,1568,1563, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1558,1572,1561,1562, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1576,1581,1579,1580, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1578,1584,1582,1583, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1574,1587,1577,1578, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1591,1596,1594,1595, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1593,1599,1597,1598, &end
#
#  chirality for residue 104 atoms:  CD NZ HE2 HE3
 &rst iat=1599,1605,1603,1604, &end
#
#  chirality for residue 104 atoms:  CG CE HD2 HD3
 &rst iat=1596,1602,1600,1601, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1589,1609,1592,1593, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1613,1618,1616,1617, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1611,1627,1614,1615, &end
#
#  chirality for residue 106 atoms:  CA CG2 CG1 HB
 &rst iat=1631,1635,1639,1634, &end
#
#  chirality for residue 106 atoms:  CB CD1 2HG1 3HG1
 &rst iat=1633,1642,1640,1641, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1629,1646,1632,1633, &end
#
#  chirality for residue 107 atoms:  CA CG2 CG1 HB
 &rst iat=1650,1654,1658,1653, &end
#
#  chirality for residue 107 atoms:  CB CD1 2HG1 3HG1
 &rst iat=1652,1661,1659,1660, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1648,1665,1651,1652, &end
#
#  chirality for residue 108 atoms:  CA CG1 CG2 HB
 &rst iat=1669,1673,1677,1672, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1667,1681,1670,1671, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1683,1691,1686,1687, &end
#
#  chirality for residue 110 atoms:  CA SG HB2 HB3
 &rst iat=1695,1700,1698,1699, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1693,1703,1696,1697, &end
#
#  chirality for residue 111 atoms:  N C HA2 HA3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 112 atoms:  N C HA2 HA3
 &rst iat=1712,1717,1715,1716, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1721,1726,1724,1725, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1723,1729,1727,1728, &end
#
#  chirality for residue 113 atoms:  CD NZ HE2 HE3
 &rst iat=1729,1735,1733,1734, &end
#
#  chirality for residue 113 atoms:  CG CE HD2 HD3
 &rst iat=1726,1732,1730,1731, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1719,1739,1722,1723, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1751,1745,1749,1750, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1748,1742,1746,1747, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1745,1741,1743,1744, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1741,1753,1752,1748, &end
#
#  chirality for residue 115 atoms:  CA OG HB2 HB3
 &rst iat=1757,1762,1760,1761, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1755,1764,1758,1759, &end
#
#  chirality for residue 116 atoms:  CA CG1 CG2 HB
 &rst iat=1768,1772,1776,1771, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1766,1780,1769,1770, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1792,1786,1790,1791, &end
#
#  chirality for residue 117 atoms:  CB CD HG2 HG3
 &rst iat=1789,1783,1787,1788, &end
#
#  chirality for residue 117 atoms:  CG N HD2 HD3
 &rst iat=1786,1782,1784,1785, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1782,1794,1793,1789, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=1798,1802,1806,1801, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1796,1810,1799,1800, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1814,1819,1817,1818, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1812,1828,1815,1816, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1832,1837,1835,1836, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1830,1848,1833,1834, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1852,1857,1855,1856, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1850,1860,1853,1854, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1862,1870,1865,1866, &end
#
#  chirality for residue 123 atoms:  CA OG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1872,1881,1875,1876, &end
#
#  chirality for residue 124 atoms:  CA CG1 CG2 HB
 &rst iat=1885,1889,1893,1888, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1883,1897,1886,1887, &end
#
#  trans-omega constraint for residue 2
 &rst iat=27,25,23,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=42,40,38,27, &end
#
#  trans-omega constraint for residue 4
 &rst iat=53,51,49,42, &end
#
#  trans-omega constraint for residue 5
 &rst iat=63,61,59,53, &end
#
#  trans-omega constraint for residue 6
 &rst iat=73,71,69,63, &end
#
#  trans-omega constraint for residue 7
 &rst iat=83,81,79,73, &end
#
#  trans-omega constraint for residue 8
 &rst iat=105,103,101,83, &end
#
#  trans-omega constraint for residue 9
 &rst iat=125,123,121,105, &end
#
#  trans-omega constraint for residue 10
 &rst iat=140,138,136,125, &end
#
#  trans-omega constraint for residue 11
 &rst iat=164,162,160,140, &end
#
#  trans-omega constraint for residue 12
 &rst iat=181,179,177,164, &end
#
#  trans-omega constraint for residue 13
 &rst iat=199,197,195,181, &end
#
#  trans-omega constraint for residue 14
 &rst iat=218,216,214,199, &end
#
#  trans-omega constraint for residue 15
 &rst iat=230,228,226,218, &end
#
#  trans-omega constraint for residue 16
 &rst iat=241,239,237,230, &end
#
#  trans-omega constraint for residue 17
 &rst iat=248,246,244,241, &end
#
#  trans-omega constraint for residue 18
 &rst iat=262,260,258,248, &end
#
#  trans-omega constraint for residue 19
 &rst iat=281,271,269,262, &end
#
#  trans-omega constraint for residue 20
 &rst iat=287,285,283,281, &end
#
#  trans-omega constraint for residue 21
 &rst iat=298,296,294,287, &end
#
#  trans-omega constraint for residue 22
 &rst iat=309,307,305,298, &end
#
#  trans-omega constraint for residue 23
 &rst iat=320,318,316,309, &end
#
#  trans-omega constraint for residue 24
 &rst iat=331,329,327,320, &end
#
#  trans-omega constraint for residue 25
 &rst iat=345,343,341,331, &end
#
#  trans-omega constraint for residue 26
 &rst iat=366,364,362,345, &end
#
#  trans-omega constraint for residue 27
 &rst iat=378,376,374,366, &end
#
#  trans-omega constraint for residue 28
 &rst iat=392,390,388,378, &end
#
#  trans-omega constraint for residue 29
 &rst iat=411,409,407,392, &end
#
#  trans-omega constraint for residue 30
 &rst iat=430,428,426,411, &end
#
#  trans-omega constraint for residue 31
 &rst iat=449,447,445,430, &end
#
#  trans-omega constraint for residue 32
 &rst iat=462,460,458,449, &end
#
#  trans-omega constraint for residue 33
 &rst iat=475,473,471,462, &end
#
#  trans-omega constraint for residue 34
 &rst iat=499,497,495,475, &end
#
#  trans-omega constraint for residue 35
 &rst iat=521,519,517,499, &end
#
#  trans-omega constraint for residue 36
 &rst iat=540,538,536,521, &end
#
#  trans-omega constraint for residue 37
 &rst iat=554,552,550,540, &end
#
#  trans-omega constraint for residue 38
 &rst iat=571,569,567,554, &end
#
#  trans-omega constraint for residue 39
 &rst iat=578,576,574,571, &end
#
#  trans-omega constraint for residue 40
 &rst iat=600,598,596,578, &end
#
#  trans-omega constraint for residue 41
 &rst iat=612,610,608,600, &end
#
#  trans-omega constraint for residue 42
 &rst iat=642,632,630,612, &end
#
#  trans-omega constraint for residue 43
 &rst iat=648,646,644,642, &end
#
#  trans-omega constraint for residue 44
 &rst iat=664,662,660,648, &end
#
#  trans-omega constraint for residue 45
 &rst iat=678,676,674,664, &end
#
#  trans-omega constraint for residue 46
 &rst iat=692,690,688,678, &end
#
#  trans-omega constraint for residue 47
 &rst iat=712,710,708,692, &end
#
#  trans-omega constraint for residue 48
 &rst iat=728,726,724,712, &end
#
#  trans-omega constraint for residue 49
 &rst iat=746,744,742,728, &end
#
#  trans-omega constraint for residue 50
 &rst iat=761,759,757,746, &end
#
#  trans-omega constraint for residue 51
 &rst iat=772,770,768,761, &end
#
#  trans-omega constraint for residue 52
 &rst iat=791,789,787,772, &end
#
#  trans-omega constraint for residue 53
 &rst iat=801,799,797,791, &end
#
#  trans-omega constraint for residue 54
 &rst iat=813,811,809,801, &end
#
#  trans-omega constraint for residue 55
 &rst iat=829,827,825,813, &end
#
#  trans-omega constraint for residue 56
 &rst iat=851,849,847,829, &end
#
#  trans-omega constraint for residue 57
 &rst iat=861,859,857,851, &end
#
#  trans-omega constraint for residue 58
 &rst iat=877,875,873,861, &end
#
#  trans-omega constraint for residue 59
 &rst iat=889,887,885,877, &end
#
#  trans-omega constraint for residue 60
 &rst iat=900,898,896,889, &end
#
#  trans-omega constraint for residue 61
 &rst iat=917,915,913,900, &end
#
#  trans-omega constraint for residue 62
 &rst iat=939,937,935,917, &end
#
#  trans-omega constraint for residue 63
 &rst iat=961,959,957,939, &end
#
#  trans-omega constraint for residue 64
 &rst iat=977,975,973,961, &end
#
#  trans-omega constraint for residue 65
 &rst iat=991,989,987,977, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1003,1001,999,991, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1025,1023,1021,1003, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1037,1035,1033,1025, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1044,1042,1040,1037, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1061,1059,1057,1044, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1075,1073,1071,1061, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1089,1087,1085,1075, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1101,1099,1097,1089, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1122,1120,1118,1101, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1139,1137,1135,1122, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1150,1148,1146,1139, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1172,1170,1168,1150, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1183,1181,1179,1172, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1197,1195,1193,1183, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1216,1214,1212,1197, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1240,1238,1236,1216, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1259,1257,1255,1240, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1273,1271,1269,1259, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1285,1283,1281,1273, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1297,1295,1293,1285, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1321,1319,1317,1297, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1336,1334,1332,1321, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1350,1348,1346,1336, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1357,1355,1353,1350, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1368,1366,1364,1357, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1379,1377,1375,1368, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1401,1399,1397,1379, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1436,1434,1432,1430, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1450,1448,1446,1436, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1462,1460,1458,1450, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1472,1470,1468,1462, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1493,1491,1489,1472, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1515,1513,1511,1493, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1529,1527,1525,1515, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1543,1541,1539,1529, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1560,1558,1556,1543, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1576,1574,1572,1560, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1591,1589,1587,1576, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1613,1611,1609,1591, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1631,1629,1627,1613, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1650,1648,1646,1631, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1669,1667,1665,1650, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1685,1683,1681,1669, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1695,1693,1691,1685, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1707,1705,1703,1695, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1714,1712,1710,1707, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1721,1719,1717,1714, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1757,1755,1753,1751, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1768,1766,1764,1757, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1792,1782,1780,1768, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1798,1796,1794,1792, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1814,1812,1810,1798, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1832,1830,1828,1814, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1852,1850,1848,1832, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1864,1862,1860,1852, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1874,1872,1870,1864, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1885,1883,1881,1874, &end
#
#  cis-omega constraint for residue 93
 &rst iat=1430,1420,1418,1401,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 50., rk3=50.,  &end
#
#  cis-omega constraint for residue 114
 &rst iat=1751,1741,1739,1721, &end
# 1899 atoms read from pdb file amberModel_1.pdb.
# 2 GLU PHI:  (1 LYS C)-(2 GLU N)-(2 GLU CA)-(2 GLU C) -115.0 -55.0
 &rst     iat =    23,    25,    27,    38,
   r1 = -145.0, r2 = -115.0, r3 = -55.0, r4 = -25.0,
   rk2 =  32.0, rk3 =  32.0,    &end

# 2 GLU PSI:  (2 GLU N)-(2 GLU CA)-(2 GLU C)-(3 SER N)  77.0 177.0
 &rst     iat =    25,    27,    38,    40,
   r1 =  47.0, r2 =  77.0, r3 = 177.0, r4 = 207.0,
 &end

# 10 ARG PHI:  (9 GLU C)-(10 ARG N)-(10 ARG CA)-(10 ARG C) -132.9 -52.9
 &rst     iat =   136,   138,   140,   160,
   r1 = -162.9, r2 = -132.9, r3 = -52.9, r4 = -22.9,
 &end

# 10 ARG PSI:  (10 ARG N)-(10 ARG CA)-(10 ARG C)-(11 GLN N) -55.0  55.0
 &rst     iat =   138,   140,   160,   162,
   r1 = -85.0, r2 = -55.0, r3 =  55.0, r4 =  85.0,
 &end

# 12 HIP PHI:  (11 GLN C)-(12 HIP N)-(12 HIP CA)-(12 HIP C) -139.0 -63.0
 &rst     iat =   177,   179,   181,   195,
   r1 = -169.0, r2 = -139.0, r3 = -63.0, r4 = -33.0,
 &end

# 12 HIP PSI:  (12 HIP N)-(12 HIP CA)-(12 HIP C)-(13 MET N) -55.0  55.0
 &rst     iat =   179,   181,   195,   197,
   r1 = -85.0, r2 = -55.0, r3 =  55.0, r4 =  85.0,
 &end

# 18 SER PHI:  (17 ASN C)-(18 SER N)-(18 SER CA)-(18 SER C) -172.4 -38.4
 &rst     iat =   258,   260,   262,   269,
   r1 = -202.4, r2 = -172.4, r3 = -38.4, r4 =  -8.4,
 &end

# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 PRO N)  91.3 191.3
 &rst     iat =   260,   262,   269,   271,
   r1 =  61.3, r2 =  91.3, r3 = 191.3, r4 = 221.3,
 &end

# 31 CYS PHI:  (30 MET C)-(31 CYS N)-(31 CYS CA)-(31 CYS C) -325.0 -35.0
 &rst     iat =   445,   447,   449,   458,
   r1 = -355.0, r2 = -325.0, r3 = -35.0, r4 =  -5.0,
 &end

# 31 CYS PSI:  (31 CYS N)-(31 CYS CA)-(31 CYS C)-(32 CYS N) -145.0 145.0
 &rst     iat =   447,   449,   458,   460,
   r1 = -175.0, r2 = -145.0, r3 = 145.0, r4 = 175.0,
 &end

# 32 CYS PHI:  (31 CYS C)-(32 CYS N)-(32 CYS CA)-(32 CYS C) -325.0 -35.0
 &rst     iat =   458,   460,   462,   471,
   r1 = -355.0, r2 = -325.0, r3 = -35.0, r4 =  -5.0,
 &end

# 32 CYS PSI:  (32 CYS N)-(32 CYS CA)-(32 CYS C)-(33 ARG N) -145.0 145.0
 &rst     iat =   460,   462,   471,   473,
   r1 = -175.0, r2 = -145.0, r3 = 145.0, r4 = 175.0,
 &end

# 39 LYS PHI:  (38 GLY C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -169.0 -57.2
 &rst     iat =   574,   576,   578,   596,
   r1 = -199.0, r2 = -169.0, r3 = -57.2, r4 = -27.2,
 &end

# 39 LYS PSI:  (39 LYS N)-(39 LYS CA)-(39 LYS C)-(40 CYX N)  73.8 207.2
 &rst     iat =   576,   578,   596,   598,
   r1 =  43.8, r2 =  73.8, r3 = 207.2, r4 = 237.2,
 &end

# 40 CYX PHI:  (39 LYS C)-(40 CYX N)-(40 CYX CA)-(40 CYX C) -170.5 -91.0
 &rst     iat =   596,   598,   600,   608,
   r1 = -200.5, r2 = -170.5, r3 = -91.0, r4 = -61.0,
 &end

# 40 CYX PSI:  (40 CYX N)-(40 CYX CA)-(40 CYX C)-(41 LYS N)  81.8 181.8
 &rst     iat =   598,   600,   608,   610,
   r1 =  51.8, r2 =  81.8, r3 = 181.8, r4 = 211.8,
 &end

# 41 LYS PHI:  (40 CYX C)-(41 LYS N)-(41 LYS CA)-(41 LYS C) -129.9 -69.9
 &rst     iat =   608,   610,   612,   630,
   r1 = -159.9, r2 = -129.9, r3 = -69.9, r4 = -39.9,
 &end

# 41 LYS PSI:  (41 LYS N)-(41 LYS CA)-(41 LYS C)-(42 PRO N)  71.3 181.8
 &rst     iat =   610,   612,   630,   632,
   r1 =  41.3, r2 =  71.3, r3 = 181.8, r4 = 211.8,
 &end

# 44 ASN PHI:  (43 VAL C)-(44 ASN N)-(44 ASN CA)-(44 ASN C) -169.0 -73.5
 &rst     iat =   660,   662,   664,   674,
   r1 = -199.0, r2 = -169.0, r3 = -73.5, r4 = -43.5,
 &end

# 44 ASN PSI:  (44 ASN N)-(44 ASN CA)-(44 ASN C)-(45 THR N)  80.2 180.2
 &rst     iat =   662,   664,   674,   676,
   r1 =  50.2, r2 =  80.2, r3 = 180.2, r4 = 210.2,
 &end

# 45 THR PHI:  (44 ASN C)-(45 THR N)-(45 THR CA)-(45 THR C) -142.0 -82.0
 &rst     iat =   674,   676,   678,   688,
   r1 = -172.0, r2 = -142.0, r3 = -82.0, r4 = -52.0,
 &end

# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 PHE N)  73.0 173.0
 &rst     iat =   676,   678,   688,   690,
   r1 =  43.0, r2 =  73.0, r3 = 173.0, r4 = 203.0,
 &end

# 46 PHE PHI:  (45 THR C)-(46 PHE N)-(46 PHE CA)-(46 PHE C) -149.4 -89.4
 &rst     iat =   688,   690,   692,   708,
   r1 = -179.4, r2 = -149.4, r3 = -89.4, r4 = -59.4,
 &end

# 46 PHE PSI:  (46 PHE N)-(46 PHE CA)-(46 PHE C)-(47 VAL N)  88.0 188.0
 &rst     iat =   690,   692,   708,   710,
   r1 =  58.0, r2 =  88.0, r3 = 188.0, r4 = 218.0,
 &end

# 47 VAL PHI:  (46 PHE C)-(47 VAL N)-(47 VAL CA)-(47 VAL C) -137.0 -73.0
 &rst     iat =   708,   710,   712,   724,
   r1 = -167.0, r2 = -137.0, r3 = -73.0, r4 = -43.0,
 &end

# 47 VAL PSI:  (47 VAL N)-(47 VAL CA)-(47 VAL C)-(48 HIP N)  70.0 170.0
 &rst     iat =   710,   712,   724,   726,
   r1 =  40.0, r2 =  70.0, r3 = 170.0, r4 = 200.0,
 &end

# 53 ASP PHI:  (52 ALA C)-(53 ASP N)-(53 ASP CA)-(53 ASP C) -102.2 -42.2
 &rst     iat =   797,   799,   801,   809,
   r1 = -132.2, r2 = -102.2, r3 = -42.2, r4 = -12.2,
 &end

# 53 ASP PSI:  (53 ASP N)-(53 ASP CA)-(53 ASP C)-(54 VAL N) -76.6  23.7
 &rst     iat =   799,   801,   809,   811,
   r1 = -106.6, r2 = -76.6, r3 =  23.7, r4 =  53.7,
 &end

# 54 VAL PHI:  (53 ASP C)-(54 VAL N)-(54 VAL CA)-(54 VAL C) -90.5 -30.5
 &rst     iat =   809,   811,   813,   825,
   r1 = -120.5, r2 = -90.5, r3 = -30.5, r4 =  -0.5,
 &end

# 54 VAL PSI:  (54 VAL N)-(54 VAL CA)-(54 VAL C)-(55 LYS N) -88.9  11.1
 &rst     iat =   811,   813,   825,   827,
   r1 = -118.9, r2 = -88.9, r3 =  11.1, r4 =  41.1,
 &end

# 55 LYS PHI:  (54 VAL C)-(55 LYS N)-(55 LYS CA)-(55 LYS C) -95.5 -35.5
 &rst     iat =   825,   827,   829,   847,
   r1 = -125.5, r2 = -95.5, r3 = -35.5, r4 =  -5.5,
 &end

# 55 LYS PSI:  (55 LYS N)-(55 LYS CA)-(55 LYS C)-(56 ALA N) -77.0  23.0
 &rst     iat =   827,   829,   847,   849,
   r1 = -107.0, r2 = -77.0, r3 =  23.0, r4 =  53.0,
 &end

# 59 SER PHI:  (58 CYX C)-(59 SER N)-(59 SER CA)-(59 SER C) -160.8 -53.7
 &rst     iat =   885,   887,   889,   896,
   r1 = -190.8, r2 = -160.8, r3 = -53.7, r4 = -23.7,
 &end

# 59 SER PSI:  (59 SER N)-(59 SER CA)-(59 SER C)-(60 GLN N) -115.0 125.0
 &rst     iat =   887,   889,   896,   898,
   r1 = -145.0, r2 = -115.0, r3 = 125.0, r4 = 155.0,
 &end

# 61 LYS PHI:  (60 GLN C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -136.8 -57.8
 &rst     iat =   913,   915,   917,   935,
   r1 = -166.8, r2 = -136.8, r3 = -57.8, r4 = -27.8,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 LYS N)  67.4 171.2
 &rst     iat =   915,   917,   935,   937,
   r1 =  37.4, r2 =  67.4, r3 = 171.2, r4 = 201.2,
 &end

# 62 LYS PHI:  (61 LYS C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -122.2 -62.2
 &rst     iat =   935,   937,   939,   957,
   r1 = -152.2, r2 = -122.2, r3 = -62.2, r4 = -32.2,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 VAL N)  65.4 165.4
 &rst     iat =   937,   939,   957,   959,
   r1 =  35.4, r2 =  65.4, r3 = 165.4, r4 = 195.4,
 &end

# 65 CYX PHI:  (64 THR C)-(65 CYX N)-(65 CYX CA)-(65 CYX C) -170.8 -37.2
 &rst     iat =   987,   989,   991,   999,
   r1 = -200.8, r2 = -170.8, r3 = -37.2, r4 =  -7.2,
 &end

# 65 CYX PSI:  (65 CYX N)-(65 CYX CA)-(65 CYX C)-(66 LYS N)  93.8 193.8
 &rst     iat =   989,   991,   999,  1001,
   r1 =  63.8, r2 =  93.8, r3 = 193.8, r4 = 223.8,
 &end

# 73 TYR PHI:  (72 CYX C)-(73 TYR N)-(73 TYR CA)-(73 TYR C) -168.2 -98.2
 &rst     iat =  1097,  1099,  1101,  1118,
   r1 = -198.2, r2 = -168.2, r3 = -98.2, r4 = -68.2,
 &end

# 73 TYR PSI:  (73 TYR N)-(73 TYR CA)-(73 TYR C)-(74 GLN N)  93.1 193.1
 &rst     iat =  1099,  1101,  1118,  1120,
   r1 =  63.1, r2 =  93.1, r3 = 193.1, r4 = 223.1,
 &end

# 74 GLN PHI:  (73 TYR C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -139.1 -79.1
 &rst     iat =  1118,  1120,  1122,  1135,
   r1 = -169.1, r2 = -139.1, r3 = -79.1, r4 = -49.1,
 &end

# 74 GLN PSI:  (74 GLN N)-(74 GLN CA)-(74 GLN C)-(75 SER N)  73.4 173.4
 &rst     iat =  1120,  1122,  1135,  1137,
   r1 =  43.4, r2 =  73.4, r3 = 173.4, r4 = 203.4,
 &end

# 75 SER PHI:  (74 GLN C)-(75 SER N)-(75 SER CA)-(75 SER C) -137.1 -53.7
 &rst     iat =  1135,  1137,  1139,  1146,
   r1 = -167.1, r2 = -137.1, r3 = -53.7, r4 = -23.7,
 &end

# 75 SER PSI:  (75 SER N)-(75 SER CA)-(75 SER C)-(76 LYS N)  60.9 160.9
 &rst     iat =  1137,  1139,  1146,  1148,
   r1 =  30.9, r2 =  60.9, r3 = 160.9, r4 = 190.9,
 &end

# 81 ILE PHI:  (80 ARG C)-(81 ILE N)-(81 ILE CA)-(81 ILE C) -171.3 -102.7
 &rst     iat =  1236,  1238,  1240,  1255,
   r1 = -201.3, r2 = -171.3, r3 = -102.7, r4 = -72.7,
 &end

# 81 ILE PSI:  (81 ILE N)-(81 ILE CA)-(81 ILE C)-(82 THR N)  94.4 194.4
 &rst     iat =  1238,  1240,  1255,  1257,
   r1 =  64.4, r2 =  94.4, r3 = 194.4, r4 = 224.4,
 &end

# 82 THR PHI:  (81 ILE C)-(82 THR N)-(82 THR CA)-(82 THR C) -142.4 -69.5
 &rst     iat =  1255,  1257,  1259,  1269,
   r1 = -172.4, r2 = -142.4, r3 = -69.5, r4 = -39.5,
 &end

# 82 THR PSI:  (82 THR N)-(82 THR CA)-(82 THR C)-(83 ASP N)  61.0 161.0
 &rst     iat =  1257,  1259,  1269,  1271,
   r1 =  31.0, r2 =  61.0, r3 = 161.0, r4 = 191.0,
 &end

# 83 ASP PHI:  (82 THR C)-(83 ASP N)-(83 ASP CA)-(83 ASP C) -147.0 -59.0
 &rst     iat =  1269,  1271,  1273,  1281,
   r1 = -177.0, r2 = -147.0, r3 = -59.0, r4 = -29.0,
 &end

# 83 ASP PSI:  (83 ASP N)-(83 ASP CA)-(83 ASP C)-(84 CYX N)  70.0 170.0
 &rst     iat =  1271,  1273,  1281,  1283,
   r1 =  40.0, r2 =  70.0, r3 = 170.0, r4 = 200.0,
 &end

# 84 CYX PHI:  (83 ASP C)-(84 CYX N)-(84 CYX CA)-(84 CYX C) -160.2 -100.2
 &rst     iat =  1281,  1283,  1285,  1293,
   r1 = -190.2, r2 = -160.2, r3 = -100.2, r4 = -70.2,
 &end

# 84 CYX PSI:  (84 CYX N)-(84 CYX CA)-(84 CYX C)-(85 ARG N) 108.8 208.8
 &rst     iat =  1283,  1285,  1293,  1295,
   r1 =  78.8, r2 = 108.8, r3 = 208.8, r4 = 238.8,
 &end

# 85 ARG PHI:  (84 CYX C)-(85 ARG N)-(85 ARG CA)-(85 ARG C) -150.1 -83.3
 &rst     iat =  1293,  1295,  1297,  1317,
   r1 = -180.1, r2 = -150.1, r3 = -83.3, r4 = -53.3,
 &end

# 85 ARG PSI:  (85 ARG N)-(85 ARG CA)-(85 ARG C)-(86 GLU N)  71.5 171.5
 &rst     iat =  1295,  1297,  1317,  1319,
   r1 =  41.5, r2 =  71.5, r3 = 171.5, r4 = 201.5,
 &end

# 86 GLU PHI:  (85 ARG C)-(86 GLU N)-(86 GLU CA)-(86 GLU C) -154.0 -94.0
 &rst     iat =  1317,  1319,  1321,  1332,
   r1 = -184.0, r2 = -154.0, r3 = -94.0, r4 = -64.0,
 &end

# 86 GLU PSI:  (86 GLU N)-(86 GLU CA)-(86 GLU C)-(87 THR N)  96.2 196.2
 &rst     iat =  1319,  1321,  1332,  1334,
   r1 =  66.2, r2 =  96.2, r3 = 196.2, r4 = 226.2,
 &end

# 87 THR PHI:  (86 GLU C)-(87 THR N)-(87 THR CA)-(87 THR C) -161.2 -70.5
 &rst     iat =  1332,  1334,  1336,  1346,
   r1 = -191.2, r2 = -161.2, r3 = -70.5, r4 = -40.5,
 &end

# 87 THR PSI:  (87 THR N)-(87 THR CA)-(87 THR C)-(88 GLY N) 107.1 207.1
 &rst     iat =  1334,  1336,  1346,  1348,
   r1 =  77.1, r2 = 107.1, r3 = 207.1, r4 = 237.1,
 &end

# 90 SER PHI:  (89 SER C)-(90 SER N)-(90 SER CA)-(90 SER C) -134.3 -38.2
 &rst     iat =  1364,  1366,  1368,  1375,
   r1 = -164.3, r2 = -134.3, r3 = -38.2, r4 =  -8.2,
 &end

# 90 SER PSI:  (90 SER N)-(90 SER CA)-(90 SER C)-(91 LYS N)  60.1 160.1
 &rst     iat =  1366,  1368,  1375,  1377,
   r1 =  30.1, r2 =  60.1, r3 = 160.1, r4 = 190.1,
 &end

# 91 LYS PHI:  (90 SER C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -148.5 -48.7
 &rst     iat =  1375,  1377,  1379,  1397,
   r1 = -178.5, r2 = -148.5, r3 = -48.7, r4 = -18.7,
 &end

# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 TYR N)  59.0 159.0
 &rst     iat =  1377,  1379,  1397,  1399,
   r1 =  29.0, r2 =  59.0, r3 = 159.0, r4 = 189.0,
 &end

# 92 TYR PHI:  (91 LYS C)-(92 TYR N)-(92 TYR CA)-(92 TYR C) -139.3 -51.6
 &rst     iat =  1397,  1399,  1401,  1418,
   r1 = -169.3, r2 = -139.3, r3 = -51.6, r4 = -21.6,
 &end

# 92 TYR PSI:  (92 TYR N)-(92 TYR CA)-(92 TYR C)-(93 PRO N)  77.8 201.0
 &rst     iat =  1399,  1401,  1418,  1420,
   r1 =  47.8, r2 =  77.8, r3 = 201.0, r4 = 231.0,
 &end

# 94 ASN PHI:  (93 PRO C)-(94 ASN N)-(94 ASN CA)-(94 ASN C) -124.8 -64.8
 &rst     iat =  1432,  1434,  1436,  1446,
   r1 = -154.8, r2 = -124.8, r3 = -64.8, r4 = -34.8,
 &end

# 94 ASN PSI:  (94 ASN N)-(94 ASN CA)-(94 ASN C)-(95 CYX N)  55.0 154.9
 &rst     iat =  1434,  1436,  1446,  1448,
   r1 =  25.0, r2 =  55.0, r3 = 154.9, r4 = 184.9,
 &end

# 95 CYX PHI:  (94 ASN C)-(95 CYX N)-(95 CYX CA)-(95 CYX C) -163.3 -70.7
 &rst     iat =  1446,  1448,  1450,  1458,
   r1 = -193.3, r2 = -163.3, r3 = -70.7, r4 = -40.7,
 &end

# 95 CYX PSI:  (95 CYX N)-(95 CYX CA)-(95 CYX C)-(96 ALA N)  89.2 189.2
 &rst     iat =  1448,  1450,  1458,  1460,
   r1 =  59.2, r2 =  89.2, r3 = 189.2, r4 = 219.2,
 &end

# 96 ALA PHI:  (95 CYX C)-(96 ALA N)-(96 ALA CA)-(96 ALA C) -141.2 -81.2
 &rst     iat =  1458,  1460,  1462,  1468,
   r1 = -171.2, r2 = -141.2, r3 = -81.2, r4 = -51.2,
 &end

# 96 ALA PSI:  (96 ALA N)-(96 ALA CA)-(96 ALA C)-(97 TYR N)  77.5 177.4
 &rst     iat =  1460,  1462,  1468,  1470,
   r1 =  47.5, r2 =  77.5, r3 = 177.4, r4 = 207.4,
 &end

# 97 TYR PHI:  (96 ALA C)-(97 TYR N)-(97 TYR CA)-(97 TYR C) -152.3 -92.3
 &rst     iat =  1468,  1470,  1472,  1489,
   r1 = -182.3, r2 = -152.3, r3 = -92.3, r4 = -62.3,
 &end

# 97 TYR PSI:  (97 TYR N)-(97 TYR CA)-(97 TYR C)-(98 LYS N)  84.5 184.5
 &rst     iat =  1470,  1472,  1489,  1491,
   r1 =  54.5, r2 =  84.5, r3 = 184.5, r4 = 214.5,
 &end

# 98 LYS PHI:  (97 TYR C)-(98 LYS N)-(98 LYS CA)-(98 LYS C) -149.7 -68.8
 &rst     iat =  1489,  1491,  1493,  1511,
   r1 = -179.7, r2 = -149.7, r3 = -68.8, r4 = -38.8,
 &end

# 98 LYS PSI:  (98 LYS N)-(98 LYS CA)-(98 LYS C)-(99 THR N)  64.1 164.1
 &rst     iat =  1491,  1493,  1511,  1513,
   r1 =  34.1, r2 =  64.1, r3 = 164.1, r4 = 194.1,
 &end

# 99 THR PHI:  (98 LYS C)-(99 THR N)-(99 THR CA)-(99 THR C) -133.1 -73.1
 &rst     iat =  1511,  1513,  1515,  1525,
   r1 = -163.1, r2 = -133.1, r3 = -73.1, r4 = -43.1,
 &end

# 99 THR PSI:  (99 THR N)-(99 THR CA)-(99 THR C)-(100 THR N)  68.5 168.5
 &rst     iat =  1513,  1515,  1525,  1527,
   r1 =  38.5, r2 =  68.5, r3 = 168.5, r4 = 198.5,
 &end

# 100 THR PHI:  (99 THR C)-(100 THR N)-(100 THR CA)-(100 THR C) -148.5 -68.1
 &rst     iat =  1525,  1527,  1529,  1539,
   r1 = -178.5, r2 = -148.5, r3 = -68.1, r4 = -38.1,
 &end

# 100 THR PSI:  (100 THR N)-(100 THR CA)-(100 THR C)-(101 GLN N)  75.6 175.6
 &rst     iat =  1527,  1529,  1539,  1541,
   r1 =  45.6, r2 =  75.6, r3 = 175.6, r4 = 205.6,
 &end

# 101 GLN PHI:  (100 THR C)-(101 GLN N)-(101 GLN CA)-(101 GLN C) -125.4 -65.4
 &rst     iat =  1539,  1541,  1543,  1556,
   r1 = -155.4, r2 = -125.4, r3 = -65.4, r4 = -35.4,
 &end

# 101 GLN PSI:  (101 GLN N)-(101 GLN CA)-(101 GLN C)-(102 VAL N)  76.6 176.6
 &rst     iat =  1541,  1543,  1556,  1558,
   r1 =  46.6, r2 =  76.6, r3 = 176.6, r4 = 206.6,
 &end

# 102 VAL PHI:  (101 GLN C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -150.0 -90.0
 &rst     iat =  1556,  1558,  1560,  1572,
   r1 = -180.0, r2 = -150.0, r3 = -90.0, r4 = -60.0,
 &end

# 102 VAL PSI:  (102 VAL N)-(102 VAL CA)-(102 VAL C)-(103 GLU N) 104.3 204.3
 &rst     iat =  1558,  1560,  1572,  1574,
   r1 =  74.3, r2 = 104.3, r3 = 204.3, r4 = 234.3,
 &end

# 103 GLU PHI:  (102 VAL C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -165.0 -71.5
 &rst     iat =  1572,  1574,  1576,  1587,
   r1 = -195.0, r2 = -165.0, r3 = -71.5, r4 = -41.5,
 &end

# 103 GLU PSI:  (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 LYS N)  83.6 183.6
 &rst     iat =  1574,  1576,  1587,  1589,
   r1 =  53.6, r2 =  83.6, r3 = 183.6, r4 = 213.6,
 &end

# 104 LYS PHI:  (103 GLU C)-(104 LYS N)-(104 LYS CA)-(104 LYS C) -163.7 -103.7
 &rst     iat =  1587,  1589,  1591,  1609,
   r1 = -193.7, r2 = -163.7, r3 = -103.7, r4 = -73.7,
 &end

# 104 LYS PSI:  (104 LYS N)-(104 LYS CA)-(104 LYS C)-(105 HIP N) 109.2 209.2
 &rst     iat =  1589,  1591,  1609,  1611,
   r1 =  79.2, r2 = 109.2, r3 = 209.2, r4 = 239.2,
 &end

# 108 VAL PHI:  (107 ILE C)-(108 VAL N)-(108 VAL CA)-(108 VAL C) -163.0 -97.5
 &rst     iat =  1665,  1667,  1669,  1681,
   r1 = -193.0, r2 = -163.0, r3 = -97.5, r4 = -67.5,
 &end

# 108 VAL PSI:  (108 VAL N)-(108 VAL CA)-(108 VAL C)-(109 ALA N) 112.5 212.5
 &rst     iat =  1667,  1669,  1681,  1683,
   r1 =  82.5, r2 = 112.5, r3 = 212.5, r4 = 242.5,
 &end

# 109 ALA PHI:  (108 VAL C)-(109 ALA N)-(109 ALA CA)-(109 ALA C) -165.8 -76.0
 &rst     iat =  1681,  1683,  1685,  1691,
   r1 = -195.8, r2 = -165.8, r3 = -76.0, r4 = -46.0,
 &end

# 109 ALA PSI:  (109 ALA N)-(109 ALA CA)-(109 ALA C)-(110 CYX N)  90.2 190.2
 &rst     iat =  1683,  1685,  1691,  1693,
   r1 =  60.2, r2 =  90.2, r3 = 190.2, r4 = 220.2,
 &end

# 110 CYX PHI:  (109 ALA C)-(110 CYX N)-(110 CYX CA)-(110 CYX C) -157.7 -97.7
 &rst     iat =  1691,  1693,  1695,  1703,
   r1 = -187.7, r2 = -157.7, r3 = -97.7, r4 = -67.7,
 &end

# 110 CYX PSI:  (110 CYX N)-(110 CYX CA)-(110 CYX C)-(111 GLY N) 105.2 205.2
 &rst     iat =  1693,  1695,  1703,  1705,
   r1 =  75.2, r2 = 105.2, r3 = 205.2, r4 = 235.2,
 &end

# 111 GLY PHI:  (110 CYX C)-(111 GLY N)-(111 GLY CA)-(111 GLY C) -190.3 -100.0
 &rst     iat =  1703,  1705,  1707,  1710,
   r1 = -220.3, r2 = -190.3, r3 = -100.0, r4 = -70.0,
 &end

# 111 GLY PSI:  (111 GLY N)-(111 GLY CA)-(111 GLY C)-(112 GLY N) 106.8 206.8
 &rst     iat =  1705,  1707,  1710,  1712,
   r1 =  76.8, r2 = 106.8, r3 = 206.8, r4 = 236.8,
 &end

# 116 VAL PHI:  (115 SER C)-(116 VAL N)-(116 VAL CA)-(116 VAL C) -183.9 -73.1
 &rst     iat =  1764,  1766,  1768,  1780,
   r1 = -213.9, r2 = -183.9, r3 = -73.1, r4 = -43.1,
 &end

# 116 VAL PSI:  (116 VAL N)-(116 VAL CA)-(116 VAL C)-(117 PRO N)  66.6 194.2
 &rst     iat =  1766,  1768,  1780,  1782,
   r1 =  36.6, r2 =  66.6, r3 = 194.2, r4 = 224.2,
 &end

# 119 HIP PHI:  (118 VAL C)-(119 HIP N)-(119 HIP CA)-(119 HIP C) -146.0 -71.0
 &rst     iat =  1810,  1812,  1814,  1828,
   r1 = -176.0, r2 = -146.0, r3 = -71.0, r4 = -41.0,
 &end

# 119 HIP PSI:  (119 HIP N)-(119 HIP CA)-(119 HIP C)-(120 PHE N)  84.4 184.4
 &rst     iat =  1812,  1814,  1828,  1830,
   r1 =  54.4, r2 =  84.4, r3 = 184.4, r4 = 214.4,
 &end

# 120 PHE PHI:  (119 HIP C)-(120 PHE N)-(120 PHE CA)-(120 PHE C) -136.3 -55.4
 &rst     iat =  1828,  1830,  1832,  1848,
   r1 = -166.3, r2 = -136.3, r3 = -55.4, r4 = -25.4,
 &end

# 120 PHE PSI:  (120 PHE N)-(120 PHE CA)-(120 PHE C)-(121 ASP N)  67.4 167.4
 &rst     iat =  1830,  1832,  1848,  1850,
   r1 =  37.4, r2 =  67.4, r3 = 167.4, r4 = 197.4,
 &end

# 123 SER PHI:  (122 ALA C)-(123 SER N)-(123 SER CA)-(123 SER C) -142.8 -74.3
 &rst     iat =  1870,  1872,  1874,  1881,
   r1 = -172.8, r2 = -142.8, r3 = -74.3, r4 = -44.3,
 &end

# 123 SER PSI:  (123 SER N)-(123 SER CA)-(123 SER C)-(124 VAL N)  85.7 185.7
 &rst     iat =  1872,  1874,  1881,  1883,
   r1 =  55.7, r2 =  85.7, r3 = 185.7, r4 = 215.7,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   LYS   1           HA       LYS   1  -2.107  14.284  15.066
    2    HB2  LYS   1           2HB      LYS   1  -2.372  14.943  17.488
    3    HG2  LYS   1           2HG      LYS   1   0.043  16.006  15.962
    4    HD2  LYS   1           2HD      LYS   1   0.190  16.642  18.341
    5    HE2  LYS   1           2HE      LYS   1  -2.529  17.951  17.789
    6    HZ1  LYS   1           2HZ      LYS   1  -1.092  19.432  19.011
    7    HZ2  LYS   1           3HZ      LYS   1  -2.293  18.870  19.978
    8    HZ3  LYS   1           1HZ      LYS   1  -0.772  18.271  20.134
    9    H    GLU   2           H        GLU   2  -1.257  12.226  13.937
   10    HA   GLU   2           HA       GLU   2   1.577  11.593  14.209
   11    HB2  GLU   2           2HB      GLU   2   0.906  10.163  12.192
   12    HG2  GLU   2           2HG      GLU   2  -1.294  11.735  11.836
   13    H    SER   3           H        SER   3   3.118  11.958  12.407
   14    HA   SER   3           HA       SER   3   2.695  14.456  11.007
   15    HB2  SER   3           2HB      SER   3   4.919  12.475  10.575
   16    HG   SER   3           HG       SER   3   5.907  13.641  12.360
   17    H    ALA   4           H        ALA   4   0.691  12.600  10.238
   18    HA   ALA   4           HA       ALA   4  -0.328  11.452   8.594
   19    HB1  ALA   4           3HB      ALA   4   0.087  12.058   6.284
   20    HB2  ALA   4           1HB      ALA   4   0.087  13.504   7.313
   21    HB3  ALA   4           2HB      ALA   4   1.617  12.842   6.706
   22    H    ALA   5           H        ALA   5   3.121  11.348   7.683
   23    HA   ALA   5           HA       ALA   5   3.327   9.055   6.302
   24    HB1  ALA   5           3HB      ALA   5   5.665   8.920   7.097
   25    HB2  ALA   5           1HB      ALA   5   5.161  10.570   6.691
   26    HB3  ALA   5           2HB      ALA   5   5.288  10.081   8.394
   27    H    ALA   6           H        ALA   6   3.750   9.091   9.884
   28    HA   ALA   6           HA       ALA   6   4.157   6.361  10.218
   29    HB1  ALA   6           3HB      ALA   6   3.384   6.695  12.541
   30    HB2  ALA   6           1HB      ALA   6   4.437   8.021  12.012
   31    HB3  ALA   6           2HB      ALA   6   2.677   8.262  12.092
   32    H    LYS   7           H        LYS   7   1.015   8.088  10.095
   33    HA   LYS   7           HA       LYS   7  -0.563   5.718  10.641
   34    HB2  LYS   7           2HB      LYS   7  -1.419   7.776  11.294
   35    HG2  LYS   7           2HG      LYS   7  -3.106   6.313   9.886
   36    HD2  LYS   7           2HD      LYS   7  -2.633   8.843   8.214
   37    HE2  LYS   7           2HE      LYS   7  -5.177   7.191   8.470
   38    HZ1  LYS   7           3HZ      LYS   7  -5.912   8.428   6.547
   39    HZ2  LYS   7           1HZ      LYS   7  -4.406   9.059   6.326
   40    HZ3  LYS   7           2HZ      LYS   7  -4.647   7.426   6.191
   41    H    PHE   8           H        PHE   8   0.280   7.574   7.681
   42    HA   PHE   8           HA       PHE   8  -1.043   5.979   5.737
   43    HB2  PHE   8           2HB      PHE   8  -0.091   7.774   4.740
   44    HD1  PHE   8           HD1      PHE   8  -0.202   5.840   2.915
   45    HD2  PHE   8           HD2      PHE   8   3.359   6.788   5.143
   46    HE1  PHE   8           HE1      PHE   8   1.192   4.586   1.265
   47    HE2  PHE   8           HE2      PHE   8   4.714   5.525   3.542
   48    HZ   PHE   8           HZ       PHE   8   3.672   4.576   1.503
   49    H    GLU   9           H        GLU   9   2.247   5.532   7.119
   50    HA   GLU   9           HA       GLU   9   2.856   3.079   5.912
   51    HB2  GLU   9           2HB      GLU   9   3.768   4.512   8.417
   52    HG2  GLU   9           2HG      GLU   9   5.160   3.144   6.099
   53    H    ARG  10           H        ARG  10   1.324   3.639   9.163
   54    HA   ARG  10           HA       ARG  10   1.062   0.864   9.495
   55    HB2  ARG  10           2HB      ARG  10  -0.563   3.130  10.741
   56    HG2  ARG  10           2HG      ARG  10   1.879   3.081  11.352
   57    HD2  ARG  10           2HD      ARG  10   1.198   0.354  12.514
   58    HE   ARG  10           HE       ARG  10   3.042   2.293  13.408
   59   HH11  ARG  10          1HH2      ARG  10   3.102  -1.071  12.338
   60   HH12  ARG  10          2HH2      ARG  10   4.454  -1.547  13.311
   61   HH21  ARG  10          1HH1      ARG  10   4.864   1.695  14.748
   62   HH22  ARG  10          2HH1      ARG  10   5.480   0.076  14.716
   63    H    GLN  11           H        GLN  11  -0.930   3.043   7.625
   64    HA   GLN  11           HA       GLN  11  -3.101   1.091   7.247
   65    HB2  GLN  11           2HB      GLN  11  -2.414   3.685   5.802
   66    HG2  GLN  11           2HG      GLN  11  -4.561   2.974   7.835
   67   HE21  GLN  11          2HE2      GLN  11  -6.462   4.089   7.551
   68   HE22  GLN  11          1HE2      GLN  11  -6.670   5.496   6.549
   69    H    HIS  12           H        HIS  12   0.105   1.358   5.974
   70    HA   HIS  12           HA       HIS  12  -0.687  -0.143   3.500
   71    HB2  HIS  12           2HB      HIS  12  -0.538   2.304   3.134
   72    HD1  HIS  12           HD1      HIS  12   2.870   1.132   1.862
   73    HD2  HIS  12           HD2      HIS  12  -1.197   1.330   0.737
   74    HE1  HIS  12           HE1      HIS  12   2.770   0.589  -0.656
   75    HE2  HIS  12           HE2      HIS  12   0.310   0.760  -1.336
   76    H    MET  13           H        MET  13   2.240   0.902   5.371
   77    HA   MET  13           HA       MET  13   3.665  -1.526   4.459
   78    HB2  MET  13           2HB      MET  13   4.994   0.438   4.476
   79    HG2  MET  13           2HG      MET  13   6.842  -0.123   5.884
   80    HE1  MET  13           3HE      MET  13   7.873  -3.049   3.673
   81    HE2  MET  13           1HE      MET  13   7.172  -1.467   3.329
   82    HE3  MET  13           2HE      MET  13   8.445  -1.646   4.566
   83    H    ASP  14           H        ASP  14   1.883  -2.777   5.281
   84    HA   ASP  14           HA       ASP  14   1.192  -3.181   7.959
   85    HB2  ASP  14           2HB      ASP  14   0.132  -4.205   5.937
   86    H    SER  15           H        SER  15   3.776  -4.629   6.098
   87    HA   SER  15           HA       SER  15   5.964  -4.876   6.586
   88    HB2  SER  15           2HB      SER  15   5.428  -4.711   9.581
   89    HG   SER  15           HG       SER  15   4.785  -2.745   8.425
   90    H    GLY  16           H        GLY  16   7.525  -6.435   7.426
   91    HA2  GLY  16           2HA      GLY  16   8.221  -8.480   8.201
   92    H    ASN  17           H        ASN  17   8.941  -9.424   6.264
   93    HA   ASN  17           HA       ASN  17   7.320 -10.221   4.113
   94    HB2  ASN  17           2HB      ASN  17   9.747 -10.043   3.917
   95   HD21  ASN  17          2HD2      ASN  17  11.068 -12.691   3.457
   96   HD22  ASN  17          1HD2      ASN  17  10.199 -13.411   2.116
   97    H    SER  18           H        SER  18   6.302 -12.083   3.535
   98    HA   SER  18           HA       SER  18   6.249 -14.500   5.060
   99    HB2  SER  18           2HB      SER  18   4.986 -13.066   6.663
  100    HG   SER  18           HG       SER  18   4.444 -15.218   6.618
  101    HA   PRO  19           HA       PRO  19   4.643 -14.584   0.718
  102    HB2  PRO  19           2HB      PRO  19   6.204 -16.519  -0.325
  103    HG2  PRO  19           2HG      PRO  19   6.984 -17.435   1.773
  104    HD2  PRO  19           2HD      PRO  19   6.971 -16.159   3.702
  105    H    SER  20           H        SER  20   2.745 -15.354   2.303
  106    HA   SER  20           HA       SER  20   1.932 -18.022   1.413
  107    HB2  SER  20           2HB      SER  20   1.750 -18.971   3.691
  108    HG   SER  20           HG       SER  20   2.908 -16.478   4.427
  109    H    SER  21           H        SER  21  -0.165 -18.454   3.125
  110    HA   SER  21           HA       SER  21  -2.333 -17.886   3.510
  111    HB2  SER  21           2HB      SER  21  -1.130 -17.083   5.468
  112    HG   SER  21           HG       SER  21  -3.305 -16.469   5.572
  113    H    SER  22           H        SER  22  -2.876 -14.833   3.720
  114    HA   SER  22           HA       SER  22  -2.625 -13.213   1.748
  115    HB2  SER  22           2HB      SER  22  -4.622 -13.547   0.140
  116    HG   SER  22           HG       SER  22  -4.285 -16.244   0.837
  117    H    SER  23           H        SER  23  -5.783 -14.670   2.369
  118    HA   SER  23           HA       SER  23  -7.250 -12.384   3.032
  119    HB2  SER  23           2HB      SER  23  -8.691 -14.136   4.289
  120    HG   SER  23           HG       SER  23  -8.001 -16.290   3.782
  121    H    ASN  24           H        ASN  24  -5.418 -14.548   5.230
  122    HA   ASN  24           HA       ASN  24  -6.333 -13.472   7.602
  123    HB2  ASN  24           2HB      ASN  24  -3.511 -14.451   7.153
  124   HD21  ASN  24          2HD2      ASN  24  -5.837 -15.809   9.448
  125   HD22  ASN  24          1HD2      ASN  24  -6.106 -17.298   8.563
  126    H    TYR  25           H        TYR  25  -3.227 -12.382   6.081
  127    HA   TYR  25           HA       TYR  25  -2.803 -10.261   7.866
  128    HB2  TYR  25           2HB      TYR  25  -2.228  -9.756   4.953
  129    HD1  TYR  25           HD2      TYR  25  -0.093 -11.421   7.570
  130    HD2  TYR  25           HD1      TYR  25  -1.689 -11.487   3.576
  131    HE1  TYR  25           HE2      TYR  25   1.469 -13.256   6.974
  132    HE2  TYR  25           HE1      TYR  25  -0.132 -13.307   2.974
  133    HH   TYR  25           HH       TYR  25   2.268 -14.607   5.280
  134    H    CYS  26           H        CYS  26  -4.706 -10.425   4.915
  135    HA   CYS  26           HA       CYS  26  -5.249  -7.739   4.353
  136    HB2  CYS  26           2HB      CYS  26  -6.249 -10.312   3.553
  137    H    ASN  27           H        ASN  27  -7.287 -10.038   6.158
  138    HA   ASN  27           HA       ASN  27  -9.139  -7.954   7.020
  139    HB2  ASN  27           2HB      ASN  27  -8.925 -10.865   7.873
  140   HD21  ASN  27          2HD2      ASN  27  -8.717 -11.533   5.597
  141   HD22  ASN  27          1HD2      ASN  27 -10.051 -11.355   4.472
  142    H    LEU  28           H        LEU  28  -6.474  -9.812   8.521
  143    HA   LEU  28           HA       LEU  28  -6.880  -9.083  11.163
  144    HB2  LEU  28           2HB      LEU  28  -5.275 -10.790  10.286
  145    HG   LEU  28           HG       LEU  28  -3.574 -10.703  11.852
  146   HD11  LEU  28          1HD1      LEU  28  -2.828  -8.333  11.469
  147   HD12  LEU  28          2HD1      LEU  28  -4.118  -7.811  12.577
  148   HD13  LEU  28          3HD1      LEU  28  -2.839  -8.876  13.157
  149   HD21  LEU  28          3HD2      LEU  28  -4.752 -10.458  13.934
  150   HD22  LEU  28          1HD2      LEU  28  -5.950  -9.374  13.212
  151   HD23  LEU  28          2HD2      LEU  28  -5.883 -11.084  12.721
  152    H    MET  29           H        MET  29  -4.699  -7.455   8.767
  153    HA   MET  29           HA       MET  29  -3.920  -5.358  10.494
  154    HB2  MET  29           2HB      MET  29  -2.969  -5.957   8.161
  155    HG2  MET  29           2HG      MET  29  -3.411  -3.127   9.167
  156    HE1  MET  29           3HE      MET  29  -3.547  -1.841   5.549
  157    HE2  MET  29           1HE      MET  29  -4.518  -3.058   6.396
  158    HE3  MET  29           2HE      MET  29  -4.087  -1.542   7.218
  159    H    MET  30           H        MET  30  -6.638  -5.534   8.108
  160    HA   MET  30           HA       MET  30  -7.521  -2.888   8.465
  161    HB2  MET  30           2HB      MET  30  -8.948  -5.422   7.604
  162    HG2  MET  30           2HG      MET  30  -7.152  -4.210   6.224
  163    HE1  MET  30           3HE      MET  30  -7.426  -1.086   3.912
  164    HE2  MET  30           1HE      MET  30  -6.428  -2.460   4.443
  165    HE3  MET  30           2HE      MET  30  -7.949  -2.754   3.562
  166    H    CYS  31           H        CYS  31  -8.424  -5.850  10.245
  167    HA   CYS  31           HA       CYS  31 -10.304  -4.630  12.027
  168    HB2  CYS  31           2HB      CYS  31 -10.177  -7.068  11.665
  169    HG   CYS  31           HG       CYS  31 -10.296  -7.991  14.120
  170    H    CYS  32           H        CYS  32  -6.838  -5.420  12.423
  171    HA   CYS  32           HA       CYS  32  -6.394  -4.531  15.035
  172    HB2  CYS  32           2HB      CYS  32  -4.711  -5.805  13.853
  173    HG   CYS  32           HG       CYS  32  -2.453  -4.405  13.960
  174    H    ARG  33           H        ARG  33  -6.223  -2.673  11.983
  175    HA   ARG  33           HA       ARG  33  -5.741  -0.123  13.449
  176    HB2  ARG  33           2HB      ARG  33  -6.069  -0.684  10.489
  177    HG2  ARG  33           2HG      ARG  33  -4.064  -1.918  11.275
  178    HD2  ARG  33           2HD      ARG  33  -2.073  -0.553  11.952
  179    HE   ARG  33           HE       ARG  33  -3.692  -1.777  13.636
  180   HH11  ARG  33          1HH2      ARG  33  -2.006   1.270  14.004
  181   HH12  ARG  33          2HH2      ARG  33  -2.425   1.493  15.678
  182   HH21  ARG  33          1HH1      ARG  33  -4.595  -1.324  15.718
  183   HH22  ARG  33          2HH1      ARG  33  -3.788  -0.171  16.745
  184    H    LYS  34           H        LYS  34  -8.377  -1.960  13.034
  185    HA   LYS  34           HA       LYS  34 -10.510  -1.743  12.583
  186    HB2  LYS  34           2HB      LYS  34  -9.882  -0.696  14.975
  187    HG2  LYS  34           2HG      LYS  34 -11.756  -2.126  14.668
  188    HD2  LYS  34           2HD      LYS  34 -13.106   0.240  13.282
  189    HE2  LYS  34           2HE      LYS  34 -15.014  -1.456  13.020
  190    HZ1  LYS  34           3HZ      LYS  34 -15.988  -0.888  15.096
  191    HZ2  LYS  34           1HZ      LYS  34 -14.537  -0.432  15.732
  192    HZ3  LYS  34           2HZ      LYS  34 -15.186   0.405  14.468
  193    H    MET  35           H        MET  35  -9.487  -1.001  10.400
  194    HA   MET  35           HA       MET  35 -10.618   1.605   9.533
  195    HB2  MET  35           2HB      MET  35  -8.999  -0.528   8.106
  196    HG2  MET  35           2HG      MET  35  -7.808   0.887   9.798
  197    HE1  MET  35           3HE      MET  35  -6.929   4.583  10.237
  198    HE2  MET  35           1HE      MET  35  -7.105   3.029  11.069
  199    HE3  MET  35           2HE      MET  35  -6.005   3.165   9.681
  200    H    THR  36           H        THR  36 -11.755  -1.573  10.005
  201    HA   THR  36           HA       THR  36 -13.862  -1.562   8.022
  202    HB   THR  36           HB       THR  36 -14.595  -3.422   9.773
  203    HG1  THR  36           HG1      THR  36 -12.750  -4.077  10.994
  204   HG21  THR  36          1HG2      THR  36 -13.635  -3.927   7.575
  205   HG22  THR  36          2HG2      THR  36 -12.000  -3.601   8.190
  206   HG23  THR  36          3HG2      THR  36 -12.928  -4.982   8.809
  207    H    GLN  37           H        GLN  37 -13.899   0.911   9.004
  208    HA   GLN  37           HA       GLN  37 -16.138   1.142  10.966
  209    HB2  GLN  37           2HB      GLN  37 -14.419   3.142   9.453
  210    HG2  GLN  37           2HG      GLN  37 -13.500   2.037  11.562
  211   HE21  GLN  37          2HE2      GLN  37 -15.571   4.786  12.649
  212   HE22  GLN  37          1HE2      GLN  37 -16.234   3.941  14.031
  213    H    GLY  38           H        GLY  38 -17.730   2.908   9.984
  214    HA2  GLY  38           2HA      GLY  38 -19.771   2.448   8.751
  215    H    LYS  39           H        LYS  39 -17.015   2.683   6.450
  216    HA   LYS  39           HA       LYS  39 -18.120   0.487   4.944
  217    HB2  LYS  39           2HB      LYS  39 -17.647   1.502   2.753
  218    HG2  LYS  39           2HG      LYS  39 -16.398   3.590   3.527
  219    HD2  LYS  39           2HD      LYS  39 -19.256   4.347   4.302
  220    HE2  LYS  39           2HE      LYS  39 -18.410   6.732   4.409
  221    HZ1  LYS  39           3HZ      LYS  39 -18.754   7.206   2.112
  222    HZ2  LYS  39           1HZ      LYS  39 -18.539   5.637   1.678
  223    HZ3  LYS  39           2HZ      LYS  39 -19.832   6.069   2.599
  224    H    CYS  40           H        CYS  40 -16.526  -0.774   4.154
  225    HA   CYS  40           HA       CYS  40 -13.850  -0.303   5.283
  226    HB2  CYS  40           2HB      CYS  40 -13.553  -2.754   4.805
  227    H    LYS  41           H        LYS  41 -12.051  -1.483   3.669
  228    HA   LYS  41           HA       LYS  41 -11.923   0.685   1.633
  229    HB2  LYS  41           2HB      LYS  41  -9.892  -0.931   3.126
  230    HG2  LYS  41           2HG      LYS  41  -8.813   1.261   3.404
  231    HD2  LYS  41           2HD      LYS  41 -10.777   0.401   4.999
  232    HE2  LYS  41           2HE      LYS  41 -11.667   3.226   4.161
  233    HZ1  LYS  41           3HZ      LYS  41 -13.630   2.369   5.572
  234    HZ2  LYS  41           1HZ      LYS  41 -12.536   1.397   6.296
  235    HZ3  LYS  41           2HZ      LYS  41 -12.311   3.011   6.336
  236    HA   PRO  42           HA       PRO  42 -13.014  -2.791  -1.040
  237    HB2  PRO  42           2HB      PRO  42 -12.973  -1.527  -3.497
  238    HG2  PRO  42           2HG      PRO  42 -12.124   0.567  -2.685
  239    HD2  PRO  42           2HD      PRO  42 -12.281   1.156  -0.433
  240    H    VAL  43           H        VAL  43 -10.147  -0.746  -1.513
  241    HA   VAL  43           HA       VAL  43  -8.578  -3.100  -2.232
  242    HB   VAL  43           HB       VAL  43  -7.373  -1.730  -3.995
  243   HG11  VAL  43          1HG1      VAL  43  -8.805  -3.617  -4.590
  244   HG12  VAL  43          2HG1      VAL  43 -10.227  -2.544  -4.663
  245   HG13  VAL  43          3HG1      VAL  43  -8.889  -2.333  -5.807
  246   HG21  VAL  43          3HG2      VAL  43  -8.574   0.040  -5.160
  247   HG22  VAL  43          1HG2      VAL  43  -9.936  -0.073  -4.034
  248   HG23  VAL  43          2HG2      VAL  43  -8.352   0.503  -3.468
  249    H    ASN  44           H        ASN  44  -6.413  -2.927  -1.516
  250    HA   ASN  44           HA       ASN  44  -5.159  -0.406  -0.992
  251    HB2  ASN  44           2HB      ASN  44  -6.535  -0.511   1.106
  252   HD21  ASN  44          2HD2      ASN  44  -4.939  -1.435   3.441
  253   HD22  ASN  44          1HD2      ASN  44  -3.557  -0.366   3.483
  254    H    THR  45           H        THR  45  -2.857  -0.758  -0.930
  255    HA   THR  45           HA       THR  45  -2.119  -3.597  -1.395
  256    HB   THR  45           HB       THR  45  -0.555  -1.148  -2.138
  257    HG1  THR  45           HG1      THR  45  -2.448  -2.604  -3.692
  258   HG21  THR  45          1HG2      THR  45   0.707  -3.243  -2.175
  259   HG22  THR  45          2HG2      THR  45  -0.544  -4.021  -3.167
  260   HG23  THR  45          3HG2      THR  45   0.411  -2.695  -3.838
  261    H    PHE  46           H        PHE  46  -1.266  -4.656   0.367
  262    HA   PHE  46           HA       PHE  46  -0.167  -3.043   2.564
  263    HB2  PHE  46           2HB      PHE  46  -0.771  -5.983   2.220
  264    HD1  PHE  46           HD1      PHE  46  -2.922  -3.630   1.896
  265    HD2  PHE  46           HD2      PHE  46  -1.670  -6.304   5.041
  266    HE1  PHE  46           HE1      PHE  46  -5.195  -3.646   2.809
  267    HE2  PHE  46           HE2      PHE  46  -3.963  -6.365   5.881
  268    HZ   PHE  46           HZ       PHE  46  -5.739  -5.009   4.809
  269    H    VAL  47           H        VAL  47   2.112  -2.703   2.645
  270    HA   VAL  47           HA       VAL  47   3.883  -4.492   1.068
  271    HB   VAL  47           HB       VAL  47   4.916  -2.325   2.864
  272   HG11  VAL  47          1HG1      VAL  47   6.507  -3.880   1.775
  273   HG12  VAL  47          2HG1      VAL  47   5.843  -3.451   0.190
  274   HG13  VAL  47          3HG1      VAL  47   6.683  -2.234   1.159
  275   HG21  VAL  47          3HG2      VAL  47   4.774  -0.738   0.961
  276   HG22  VAL  47          1HG2      VAL  47   3.704  -1.884   0.119
  277   HG23  VAL  47          2HG2      VAL  47   3.205  -1.160   1.661
  278    H    HIS  48           H        HIS  48   5.290  -5.960   1.932
  279    HA   HIS  48           HA       HIS  48   5.274  -6.422   4.893
  280    HB2  HIS  48           2HB      HIS  48   4.517  -8.241   2.631
  281    HD1  HIS  48           HD1      HIS  48   4.151  -9.267   6.251
  282    HD2  HIS  48           HD2      HIS  48   2.100  -6.925   3.431
  283    HE1  HIS  48           HE1      HIS  48   1.823  -8.855   7.214
  284    HE2  HIS  48           HE2      HIS  48   0.606  -7.418   5.584
  285    H    GLU  49           H        GLU  49   7.274  -5.059   4.594
  286    HA   GLU  49           HA       GLU  49   9.566  -6.761   4.291
  287    HB2  GLU  49           2HB      GLU  49   8.972  -6.093   1.907
  288    HG2  GLU  49           2HG      GLU  49  11.060  -5.758   1.072
  289    H    SER  50           H        SER  50  11.546  -5.098   4.387
  290    HA   SER  50           HA       SER  50  11.696  -3.845   6.831
  291    HB2  SER  50           2HB      SER  50  13.295  -3.461   4.257
  292    HG   SER  50           HG       SER  50  13.275  -5.584   4.966
  293    H    LEU  51           H        LEU  51  10.166  -2.292   7.370
  294    HA   LEU  51           HA       LEU  51   9.264  -0.068   5.962
  295    HB2  LEU  51           2HB      LEU  51   8.448  -0.858   8.126
  296    HG   LEU  51           HG       LEU  51   8.236   1.671   7.341
  297   HD11  LEU  51          1HD1      LEU  51   6.583   0.460   8.717
  298   HD12  LEU  51          2HD1      LEU  51   7.576   0.726  10.163
  299   HD13  LEU  51          3HD1      LEU  51   6.826   2.101   9.324
  300   HD21  LEU  51          3HD2      LEU  51   8.933   3.230   9.141
  301   HD22  LEU  51          1HD2      LEU  51   9.774   1.914   9.979
  302   HD23  LEU  51          2HD2      LEU  51  10.361   2.494   8.412
  303    H    ALA  52           H        ALA  52  12.414  -0.430   7.571
  304    HA   ALA  52           HA       ALA  52  13.329   2.239   7.266
  305    HB1  ALA  52           3HB      ALA  52  15.586   1.237   7.239
  306    HB2  ALA  52           1HB      ALA  52  14.579   0.495   8.498
  307    HB3  ALA  52           2HB      ALA  52  14.887  -0.374   6.977
  308    H    ASP  53           H        ASP  53  13.159  -0.453   4.792
  309    HA   ASP  53           HA       ASP  53  14.672   1.105   2.942
  310    HB2  ASP  53           2HB      ASP  53  14.171  -1.504   2.849
  311    H    VAL  54           H        VAL  54  11.168   0.754   3.590
  312    HA   VAL  54           HA       VAL  54  10.128   2.168   1.406
  313    HB   VAL  54           HB       VAL  54   9.280   1.883   4.290
  314   HG11  VAL  54          1HG1      VAL  54   8.517   4.084   3.886
  315   HG12  VAL  54          2HG1      VAL  54   7.877   3.636   2.272
  316   HG13  VAL  54          3HG1      VAL  54   7.144   2.987   3.763
  317   HG21  VAL  54          3HG2      VAL  54   7.433   0.699   3.298
  318   HG22  VAL  54          1HG2      VAL  54   7.978   1.111   1.667
  319   HG23  VAL  54          2HG2      VAL  54   8.966   0.028   2.677
  320    H    LYS  55           H        LYS  55  11.425   3.602   4.422
  321    HA   LYS  55           HA       LYS  55  11.065   6.349   3.595
  322    HB2  LYS  55           2HB      LYS  55  12.659   4.945   5.684
  323    HG2  LYS  55           2HG      LYS  55  10.692   7.170   6.012
  324    HD2  LYS  55           2HD      LYS  55  11.283   4.690   7.689
  325    HE2  LYS  55           2HE      LYS  55  10.049   5.653   9.451
  326    HZ1  LYS  55           3HZ      LYS  55   8.477   6.644   7.160
  327    HZ2  LYS  55           1HZ      LYS  55   8.591   5.053   7.460
  328    HZ3  LYS  55           2HZ      LYS  55   7.872   5.968   8.519
  329    H    ALA  56           H        ALA  56  13.541   3.934   2.825
  330    HA   ALA  56           HA       ALA  56  15.393   5.871   1.683
  331    HB1  ALA  56           3HB      ALA  56  16.700   4.026   1.043
  332    HB2  ALA  56           1HB      ALA  56  16.065   3.653   2.648
  333    HB3  ALA  56           2HB      ALA  56  15.358   2.879   1.215
  334    H    VAL  57           H        VAL  57  13.000   3.508   0.338
  335    HA   VAL  57           HA       VAL  57  13.134   4.003  -2.381
  336    HB   VAL  57           HB       VAL  57  10.747   3.443  -0.587
  337   HG11  VAL  57          1HG1      VAL  57   9.706   4.437  -2.390
  338   HG12  VAL  57          2HG1      VAL  57  10.850   3.825  -3.574
  339   HG13  VAL  57          3HG1      VAL  57   9.668   2.728  -2.809
  340   HG21  VAL  57          3HG2      VAL  57  10.973   1.172  -1.633
  341   HG22  VAL  57          1HG2      VAL  57  12.522   1.700  -2.333
  342   HG23  VAL  57          2HG2      VAL  57  12.310   1.634  -0.588
  343    H    CYS  58           H        CYS  58  11.145   5.748   0.014
  344    HA   CYS  58           HA       CYS  58  10.065   7.861  -1.399
  345    HB2  CYS  58           2HB      CYS  58   9.584   8.052   0.836
  346    H    SER  59           H        SER  59  13.483   7.552  -0.388
  347    HA   SER  59           HA       SER  59  14.184  10.114  -1.731
  348    HB2  SER  59           2HB      SER  59  16.157   9.929  -0.111
  349    HG   SER  59           HG       SER  59  14.397   8.200   1.349
  350    H    GLN  60           H        GLN  60  13.799   7.521  -3.133
  351    HA   GLN  60           HA       GLN  60  16.629   7.141  -4.056
  352    HB2  GLN  60           2HB      GLN  60  14.603   5.232  -3.295
  353    HG2  GLN  60           2HG      GLN  60  16.521   3.642  -3.903
  354   HE21  GLN  60          2HE2      GLN  60  17.279   6.732  -2.063
  355   HE22  GLN  60          1HE2      GLN  60  17.386   5.885  -0.552
  356    H    LYS  61           H        LYS  61  13.615   6.325  -5.828
  357    HA   LYS  61           HA       LYS  61  14.747   8.008  -8.046
  358    HB2  LYS  61           2HB      LYS  61  15.274   5.578  -8.184
  359    HG2  LYS  61           2HG      LYS  61  13.444   6.767 -10.328
  360    HD2  LYS  61           2HD      LYS  61  14.701   5.335 -11.878
  361    HE2  LYS  61           2HE      LYS  61  13.403   3.569  -9.735
  362    HZ1  LYS  61           3HZ      LYS  61  12.518   2.485 -11.659
  363    HZ2  LYS  61           1HZ      LYS  61  13.377   3.440 -12.678
  364    HZ3  LYS  61           2HZ      LYS  61  14.168   2.400 -11.664
  365    H    LYS  62           H        LYS  62  13.357   9.680  -8.205
  366    HA   LYS  62           HA       LYS  62  10.511   9.544  -8.027
  367    HB2  LYS  62           2HB      LYS  62  12.092  11.596  -8.068
  368    HG2  LYS  62           2HG      LYS  62   9.328  11.392  -8.767
  369    HD2  LYS  62           2HD      LYS  62   9.250  13.665  -9.961
  370    HE2  LYS  62           2HE      LYS  62  10.155  11.254 -11.604
  371    HZ1  LYS  62           3HZ      LYS  62   8.772  12.220 -13.315
  372    HZ2  LYS  62           1HZ      LYS  62   8.473  13.543 -12.393
  373    HZ3  LYS  62           2HZ      LYS  62   9.999  13.245 -12.938
  374    H    VAL  63           H        VAL  63   9.017   8.819  -9.584
  375    HA   VAL  63           HA       VAL  63   9.977   8.411 -12.373
  376    HB   VAL  63           HB       VAL  63   8.575   6.476 -12.636
  377   HG11  VAL  63          1HG1      VAL  63  10.966   6.248 -11.954
  378   HG12  VAL  63          2HG1      VAL  63  10.436   6.071 -10.266
  379   HG13  VAL  63          3HG1      VAL  63   9.957   4.867 -11.486
  380   HG21  VAL  63          3HG2      VAL  63   7.591   5.252 -10.735
  381   HG22  VAL  63          1HG2      VAL  63   7.995   6.590  -9.639
  382   HG23  VAL  63          2HG2      VAL  63   6.828   6.815 -10.965
  383    H    THR  64           H        THR  64   8.538   9.217 -13.908
  384    HA   THR  64           HA       THR  64   6.449  11.005 -12.899
  385    HB   THR  64           HB       THR  64   7.129  10.137 -15.732
  386    HG1  THR  64           HG1      THR  64   8.407  11.974 -15.716
  387   HG21  THR  64          1HG2      THR  64   4.900  11.245 -15.476
  388   HG22  THR  64          2HG2      THR  64   5.691  12.617 -14.666
  389   HG23  THR  64          3HG2      THR  64   6.047  12.256 -16.366
  390    H    CYS  65           H        CYS  65   4.858   9.834 -11.878
  391    HA   CYS  65           HA       CYS  65   3.842   7.302 -12.640
  392    HB2  CYS  65           2HB      CYS  65   2.743   9.609 -11.006
  393    H    LYS  66           H        LYS  66   1.416   7.085 -13.222
  394    HA   LYS  66           HA       LYS  66   1.155   7.755 -15.943
  395    HB2  LYS  66           2HB      LYS  66  -0.752   6.432 -15.986
  396    HG2  LYS  66           2HG      LYS  66  -2.065   7.148 -14.036
  397    HD2  LYS  66           2HD      LYS  66   0.134   5.769 -12.427
  398    HE2  LYS  66           2HE      LYS  66  -2.709   6.483 -11.593
  399    HZ1  LYS  66           3HZ      LYS  66  -2.027   5.297  -9.556
  400    HZ2  LYS  66           1HZ      LYS  66  -0.469   5.227 -10.068
  401    HZ3  LYS  66           2HZ      LYS  66  -1.099   6.633  -9.740
  402    H    ASP  67           H        ASP  67   1.211  10.200 -14.455
  403    HA   ASP  67           HA       ASP  67  -1.033  11.691 -15.483
  404    HB2  ASP  67           2HB      ASP  67  -1.706  12.530 -13.221
  405    H    GLY  68           H        GLY  68   1.644  11.543 -13.213
  406    HA2  GLY  68           2HA      GLY  68   3.707  12.755 -13.300
  407    H    GLN  69           H        GLN  69   1.290  12.509 -11.564
  408    HA   GLN  69           HA       GLN  69   0.963  15.167 -10.340
  409    HB2  GLN  69           2HB      GLN  69  -0.857  13.496 -10.935
  410    HG2  GLN  69           2HG      GLN  69  -0.830  14.364  -8.036
  411   HE21  GLN  69          2HE2      GLN  69  -2.251  12.000 -10.060
  412   HE22  GLN  69          1HE2      GLN  69  -3.858  12.140  -9.390
  413    H    THR  70           H        THR  70   1.228  15.404  -8.018
  414    HA   THR  70           HA       THR  70   2.443  15.421  -6.147
  415    HB   THR  70           HB       THR  70   2.762  13.392  -4.891
  416    HG1  THR  70           HG1      THR  70   2.481  12.052  -7.372
  417   HG21  THR  70          1HG2      THR  70   0.410  14.173  -5.309
  418   HG22  THR  70          2HG2      THR  70   0.293  12.941  -6.593
  419   HG23  THR  70          3HG2      THR  70   0.582  12.447  -4.919
  420    H    ASN  71           H        ASN  71   4.422  12.749  -6.594
  421    HA   ASN  71           HA       ASN  71   6.553  13.560  -8.237
  422    HB2  ASN  71           2HB      ASN  71   8.221  14.198  -6.425
  423   HD21  ASN  71          2HD2      ASN  71   7.236  12.717  -4.509
  424   HD22  ASN  71          1HD2      ASN  71   6.697  13.679  -3.113
  425    H    CYS  72           H        CYS  72   5.232  11.296  -8.060
  426    HA   CYS  72           HA       CYS  72   5.761   9.663  -5.856
  427    HB2  CYS  72           2HB      CYS  72   4.623   7.971  -6.991
  428    H    TYR  73           H        TYR  73   7.120   7.970  -5.440
  429    HA   TYR  73           HA       TYR  73   9.660   7.792  -6.942
  430    HB2  TYR  73           2HB      TYR  73   9.023   7.265  -4.007
  431    HD1  TYR  73           HD1      TYR  73  11.467   9.406  -5.761
  432    HD2  TYR  73           HD2      TYR  73   8.088   9.304  -3.168
  433    HE1  TYR  73           HE1      TYR  73  11.337  11.897  -5.820
  434    HE2  TYR  73           HE2      TYR  73   8.275  11.815  -2.899
  435    HH   TYR  73           HH       TYR  73   9.178  13.718  -3.672
  436    H    GLN  74           H        GLN  74  10.229   5.845  -7.786
  437    HA   GLN  74           HA       GLN  74   8.608   3.432  -7.135
  438    HB2  GLN  74           2HB      GLN  74   9.009   3.907  -9.518
  439    HG2  GLN  74           2HG      GLN  74  10.632   1.485  -8.644
  440   HE21  GLN  74          2HE2      GLN  74   8.397   0.202 -10.761
  441   HE22  GLN  74          1HE2      GLN  74   9.294   0.513 -12.210
  442    H    SER  75           H        SER  75   9.339   1.864  -5.874
  443    HA   SER  75           HA       SER  75  11.635   1.981  -4.312
  444    HB2  SER  75           2HB      SER  75   9.810   0.439  -3.870
  445    HG   SER  75           HG       SER  75  11.509  -1.562  -4.164
  446    H    LYS  76           H        LYS  76  13.591   0.991  -4.244
  447    HA   LYS  76           HA       LYS  76  15.266   1.063  -6.524
  448    HB2  LYS  76           2HB      LYS  76  16.845  -0.204  -5.070
  449    HG2  LYS  76           2HG      LYS  76  14.755   0.149  -2.845
  450    HD2  LYS  76           2HD      LYS  76  16.358  -1.373  -1.633
  451    HE2  LYS  76           2HE      LYS  76  18.226   0.370  -1.326
  452    HZ1  LYS  76           3HZ      LYS  76  16.455   2.126  -0.677
  453    HZ2  LYS  76           1HZ      LYS  76  15.382   0.855  -0.885
  454    HZ3  LYS  76           2HZ      LYS  76  16.547   0.659   0.147
  455    H    SER  77           H        SER  77  13.577  -1.619  -4.928
  456    HA   SER  77           HA       SER  77  14.110  -3.455  -7.209
  457    HB2  SER  77           2HB      SER  77  14.438  -5.195  -5.359
  458    HG   SER  77           HG       SER  77  14.935  -4.354  -3.318
  459    H    THR  78           H        THR  78  12.587  -5.457  -6.907
  460    HA   THR  78           HA       THR  78   9.887  -4.515  -6.473
  461    HB   THR  78           HB       THR  78   9.519  -7.012  -6.972
  462    HG1  THR  78           HG1      THR  78  11.331  -8.070  -7.793
  463   HG21  THR  78          1HG2      THR  78   9.378  -5.124  -8.687
  464   HG22  THR  78          2HG2      THR  78  11.086  -5.404  -9.050
  465   HG23  THR  78          3HG2      THR  78   9.888  -6.676  -9.370
  466    H    MET  79           H        MET  79   8.693  -4.834  -4.629
  467    HA   MET  79           HA       MET  79  10.022  -6.139  -2.295
  468    HB2  MET  79           2HB      MET  79   8.028  -3.829  -2.408
  469    HG2  MET  79           2HG      MET  79  10.342  -3.112  -3.036
  470    HE1  MET  79           3HE      MET  79  13.625  -2.755  -0.872
  471    HE2  MET  79           1HE      MET  79  12.860  -2.351  -2.420
  472    HE3  MET  79           2HE      MET  79  12.213  -1.676  -0.904
  473    H    ARG  80           H        ARG  80   8.591  -7.225  -0.879
  474    HA   ARG  80           HA       ARG  80   6.491  -8.818  -2.029
  475    HB2  ARG  80           2HB      ARG  80   8.082  -9.565  -0.277
  476    HG2  ARG  80           2HG      ARG  80   6.496 -10.005   1.716
  477    HD2  ARG  80           2HD      ARG  80   7.130 -11.690  -0.008
  478    HE   ARG  80           HE       ARG  80   4.379 -11.125  -1.070
  479   HH11  ARG  80          1HH2      ARG  80   7.765 -11.971  -1.850
  480   HH12  ARG  80          2HH2      ARG  80   7.369 -12.484  -3.471
  481   HH21  ARG  80          1HH1      ARG  80   3.969 -11.583  -3.274
  482   HH22  ARG  80          2HH1      ARG  80   5.229 -12.164  -4.331
  483    H    ILE  81           H        ILE  81   4.608  -7.629  -2.635
  484    HA   ILE  81           HA       ILE  81   3.272  -6.259  -0.346
  485    HB   ILE  81           HB       ILE  81   1.707  -5.342  -2.148
  486   HG12  ILE  81          2HG1      ILE  81   3.059  -6.533  -3.995
  487   HG21  ILE  81          1HG2      ILE  81   2.771  -3.857  -0.716
  488   HG22  ILE  81          2HG2      ILE  81   4.363  -4.079  -1.483
  489   HG23  ILE  81          3HG2      ILE  81   3.044  -3.235  -2.333
  490   HD11  ILE  81          3HD1      ILE  81   4.736  -5.254  -5.086
  491   HD12  ILE  81          1HD1      ILE  81   4.397  -3.800  -4.144
  492   HD13  ILE  81          2HD1      ILE  81   5.207  -5.169  -3.381
  493    H    THR  82           H        THR  82   1.337  -6.910   0.247
  494    HA   THR  82           HA       THR  82   0.019  -9.170  -1.140
  495    HB   THR  82           HB       THR  82  -1.214  -8.985   1.231
  496    HG1  THR  82           HG1      THR  82   0.098  -8.320   2.822
  497   HG21  THR  82          1HG2      THR  82   0.193 -10.936   0.402
  498   HG22  THR  82          2HG2      THR  82   1.641 -10.071   0.942
  499   HG23  THR  82          3HG2      THR  82   0.447 -10.625   2.129
  500    H    ASP  83           H        ASP  83  -1.107  -8.092  -2.760
  501    HA   ASP  83           HA       ASP  83  -2.218  -5.471  -2.252
  502    HB2  ASP  83           2HB      ASP  83  -1.382  -6.131  -4.494
  503    H    CYS  84           H        CYS  84  -4.018  -5.193  -1.008
  504    HA   CYS  84           HA       CYS  84  -5.724  -7.520  -0.472
  505    HB2  CYS  84           2HB      CYS  84  -4.637  -6.017   1.344
  506    H    ARG  85           H        ARG  85  -7.864  -7.672  -1.016
  507    HA   ARG  85           HA       ARG  85  -9.249  -5.266  -2.040
  508    HB2  ARG  85           2HB      ARG  85  -8.177  -6.580  -3.926
  509    HG2  ARG  85           2HG      ARG  85 -11.205  -6.843  -3.998
  510    HD2  ARG  85           2HD      ARG  85  -9.130  -6.115  -6.097
  511    HE   ARG  85           HE       ARG  85 -11.985  -5.846  -6.073
  512   HH11  ARG  85          1HH2      ARG  85  -9.354  -6.915  -8.149
  513   HH12  ARG  85          2HH2      ARG  85 -10.157  -6.572  -9.651
  514   HH21  ARG  85          1HH1      ARG  85 -13.104  -5.357  -8.043
  515   HH22  ARG  85          2HH1      ARG  85 -12.360  -5.659  -9.578
  516    H    GLU  86           H        GLU  86 -11.535  -5.406  -1.786
  517    HA   GLU  86           HA       GLU  86 -12.506  -7.483   0.089
  518    HB2  GLU  86           2HB      GLU  86 -13.924  -5.170  -1.282
  519    HG2  GLU  86           2HG      GLU  86 -13.095  -5.666   1.626
  520    H    THR  87           H        THR  87 -13.484  -9.359  -0.586
  521    HA   THR  87           HA       THR  87 -13.678  -9.929  -3.444
  522    HB   THR  87           HB       THR  87 -14.639 -12.114  -2.511
  523    HG1  THR  87           HG1      THR  87 -14.130 -12.266  -0.177
  524   HG21  THR  87          1HG2      THR  87 -12.225 -11.821  -3.046
  525   HG22  THR  87          2HG2      THR  87 -11.962 -11.149  -1.423
  526   HG23  THR  87          3HG2      THR  87 -12.447 -12.850  -1.619
  527    H    GLY  88           H        GLY  88 -15.700 -10.735  -4.404
  528    HA2  GLY  88           2HA      GLY  88 -18.007  -9.048  -3.930
  529    H    SER  89           H        SER  89 -17.835  -9.801  -1.684
  530    HA   SER  89           HA       SER  89 -19.714 -11.836  -0.794
  531    HB2  SER  89           2HB      SER  89 -16.784 -12.108   0.015
  532    HG   SER  89           HG       SER  89 -16.921 -14.086  -1.256
  533    H    SER  90           H        SER  90 -17.133  -9.399  -0.209
  534    HA   SER  90           HA       SER  90 -17.420  -8.953   2.509
  535    HB2  SER  90           2HB      SER  90 -15.731  -8.045   0.796
  536    HG   SER  90           HG       SER  90 -15.890  -5.842   1.947
  537    H    LYS  91           H        LYS  91 -19.068  -8.279   3.707
  538    HA   LYS  91           HA       LYS  91 -21.309  -6.635   2.600
  539    HB2  LYS  91           2HB      LYS  91 -21.304  -9.401   3.836
  540    HG2  LYS  91           2HG      LYS  91 -22.985  -8.157   1.599
  541    HD2  LYS  91           2HD      LYS  91 -23.241 -10.536   0.899
  542    HE2  LYS  91           2HE      LYS  91 -24.123 -10.060   3.793
  543    HZ1  LYS  91           3HZ      LYS  91 -25.922 -11.504   3.203
  544    HZ2  LYS  91           1HZ      LYS  91 -25.302 -11.769   1.704
  545    HZ3  LYS  91           2HZ      LYS  91 -24.497 -12.305   3.038
  546    H    TYR  92           H        TYR  92 -20.067  -4.975   3.799
  547    HA   TYR  92           HA       TYR  92 -19.303  -4.926   6.410
  548    HB2  TYR  92           2HB      TYR  92 -19.004  -3.011   4.974
  549    HD1  TYR  92           HD1      TYR  92 -17.902  -2.369   7.134
  550    HD2  TYR  92           HD2      TYR  92 -22.106  -1.706   6.479
  551    HE1  TYR  92           HE1      TYR  92 -18.035  -1.099   9.258
  552    HE2  TYR  92           HE2      TYR  92 -22.231  -0.406   8.572
  553    HH   TYR  92           HH       TYR  92 -21.082   0.371  10.406
  554    HA   PRO  93           HA       PRO  93 -19.353  -4.233   8.596
  555    HB2  PRO  93           2HB      PRO  93 -19.708  -5.487  10.938
  556    HG2  PRO  93           2HG      PRO  93 -21.747  -6.615  10.364
  557    HD2  PRO  93           2HD      PRO  93 -23.139  -5.785   8.643
  558    H    ASN  94           H        ASN  94 -20.737  -7.237   7.565
  559    HA   ASN  94           HA       ASN  94 -18.478  -8.952   8.404
  560    HB2  ASN  94           2HB      ASN  94 -21.140  -9.320   7.017
  561   HD21  ASN  94          2HD2      ASN  94 -20.689  -8.809   9.753
  562   HD22  ASN  94          1HD2      ASN  94 -20.943 -10.313  10.630
  563    H    CYS  95           H        CYS  95 -17.145  -7.081   7.395
  564    HA   CYS  95           HA       CYS  95 -16.957  -7.059   4.510
  565    HB2  CYS  95           2HB      CYS  95 -14.992  -6.128   6.628
  566    H    ALA  96           H        ALA  96 -15.371  -8.116   3.198
  567    HA   ALA  96           HA       ALA  96 -13.965 -10.459   4.445
  568    HB1  ALA  96           3HB      ALA  96 -14.832 -11.927   2.733
  569    HB2  ALA  96           1HB      ALA  96 -16.182 -11.204   3.632
  570    HB3  ALA  96           2HB      ALA  96 -15.770 -10.612   2.005
  571    H    TYR  97           H        TYR  97 -11.928  -9.681   4.140
  572    HA   TYR  97           HA       TYR  97 -11.184  -8.635   1.473
  573    HB2  TYR  97           2HB      TYR  97  -9.769  -8.660   4.144
  574    HD1  TYR  97           HD2      TYR  97 -11.613  -7.317   5.235
  575    HD2  TYR  97           HD1      TYR  97  -9.673  -6.024   1.609
  576    HE1  TYR  97           HE2      TYR  97 -12.087  -4.963   5.814
  577    HE2  TYR  97           HE1      TYR  97  -9.828  -3.702   2.373
  578    HH   TYR  97           HH       TYR  97 -11.036  -2.817   5.478
  579    H    LYS  98           H        LYS  98  -9.481  -9.441   0.256
  580    HA   LYS  98           HA       LYS  98  -8.182 -12.002   0.957
  581    HB2  LYS  98           2HB      LYS  98 -10.330 -12.402  -0.309
  582    HG2  LYS  98           2HG      LYS  98  -8.658 -14.148  -0.561
  583    HD2  LYS  98           2HD      LYS  98  -7.619 -12.284  -2.730
  584    HE2  LYS  98           2HE      LYS  98  -6.971 -15.255  -2.509
  585    HZ1  LYS  98           3HZ      LYS  98  -5.542 -14.822  -4.317
  586    HZ2  LYS  98           1HZ      LYS  98  -6.101 -13.286  -4.526
  587    HZ3  LYS  98           2HZ      LYS  98  -5.225 -13.640  -3.196
  588    H    THR  99           H        THR  99  -6.034 -11.882   0.342
  589    HA   THR  99           HA       THR  99  -5.215  -9.479  -1.145
  590    HB   THR  99           HB       THR  99  -4.290 -10.490   1.287
  591    HG1  THR  99           HG1      THR  99  -4.106  -8.365   0.767
  592   HG21  THR  99          1HG2      THR  99  -2.813 -12.114  -0.151
  593   HG22  THR  99          2HG2      THR  99  -1.961 -10.650  -0.641
  594   HG23  THR  99          3HG2      THR  99  -2.048 -11.099   1.074
  595    H    THR 100           H        THR 100  -3.491  -9.503  -2.656
  596    HA   THR 100           HA       THR 100  -2.933 -12.149  -3.950
  597    HB   THR 100           HB       THR 100  -2.933  -9.441  -5.322
  598    HG1  THR 100           HG1      THR 100  -5.001  -9.814  -4.722
  599   HG21  THR 100          1HG2      THR 100  -1.623 -11.283  -6.411
  600   HG22  THR 100          2HG2      THR 100  -3.074 -12.308  -6.383
  601   HG23  THR 100          3HG2      THR 100  -3.055 -10.821  -7.350
  602    H    GLN 101           H        GLN 101  -0.974 -12.760  -3.258
  603    HA   GLN 101           HA       GLN 101   1.151 -11.039  -2.334
  604    HB2  GLN 101           2HB      GLN 101   0.931 -13.928  -3.280
  605    HG2  GLN 101           2HG      GLN 101   0.019 -13.169  -0.943
  606   HE21  GLN 101          2HE2      GLN 101   1.262 -14.117   1.315
  607   HE22  GLN 101          1HE2      GLN 101   2.629 -13.118   1.764
  608    H    VAL 102           H        VAL 102   2.315  -9.666  -3.734
  609    HA   VAL 102           HA       VAL 102   3.417 -10.958  -6.143
  610    HB   VAL 102           HB       VAL 102   3.006  -9.106  -7.598
  611   HG11  VAL 102          1HG1      VAL 102   1.301 -10.893  -7.548
  612   HG12  VAL 102          2HG1      VAL 102   0.345  -9.919  -6.400
  613   HG13  VAL 102          3HG1      VAL 102   0.651  -9.323  -8.037
  614   HG21  VAL 102          3HG2      VAL 102   1.394  -7.281  -7.002
  615   HG22  VAL 102          1HG2      VAL 102   1.456  -7.820  -5.312
  616   HG23  VAL 102          2HG2      VAL 102   2.920  -7.198  -6.124
  617    H    GLU 103           H        GLU 103   5.489 -10.469  -6.487
  618    HA   GLU 103           HA       GLU 103   6.902  -8.510  -4.837
  619    HB2  GLU 103           2HB      GLU 103   8.853  -9.491  -6.323
  620    HG2  GLU 103           2HG      GLU 103   7.157 -11.023  -7.628
  621    H    LYS 104           H        LYS 104   6.404  -6.420  -5.585
  622    HA   LYS 104           HA       LYS 104   7.214  -5.723  -8.363
  623    HB2  LYS 104           2HB      LYS 104   4.451  -5.470  -7.292
  624    HG2  LYS 104           2HG      LYS 104   3.958  -5.221  -9.697
  625    HD2  LYS 104           2HD      LYS 104   5.615  -7.736  -9.632
  626    HE2  LYS 104           2HE      LYS 104   3.339  -8.688 -10.197
  627    HZ1  LYS 104           3HZ      LYS 104   3.167  -7.652 -12.351
  628    HZ2  LYS 104           1HZ      LYS 104   4.142  -6.409 -11.891
  629    HZ3  LYS 104           2HZ      LYS 104   4.746  -7.937 -11.991
  630    H    HIS 105           H        HIS 105   7.512  -3.331  -8.565
  631    HA   HIS 105           HA       HIS 105   8.946  -2.374  -6.178
  632    HB2  HIS 105           2HB      HIS 105   8.246  -0.714  -8.610
  633    HD1  HIS 105           HD1      HIS 105   8.737  -2.598 -10.445
  634    HD2  HIS 105           HD2      HIS 105  11.898  -1.484  -7.886
  635    HE1  HIS 105           HE1      HIS 105  10.935  -3.358 -11.603
  636    HE2  HIS 105           HE2      HIS 105  12.843  -2.671 -10.005
  637    H    ILE 106           H        ILE 106   7.702  -1.437  -4.488
  638    HA   ILE 106           HA       ILE 106   5.065  -0.365  -4.956
  639    HB   ILE 106           HB       ILE 106   5.328   0.724  -2.756
  640   HG12  ILE 106          2HG1      ILE 106   8.097  -0.580  -2.683
  641   HG21  ILE 106          1HG2      ILE 106   4.487  -1.570  -3.038
  642   HG22  ILE 106          2HG2      ILE 106   6.126  -2.222  -2.836
  643   HG23  ILE 106          3HG2      ILE 106   5.321  -1.383  -1.495
  644   HD11  ILE 106          3HD1      ILE 106   8.330   0.732  -0.588
  645   HD12  ILE 106          1HD1      ILE 106   6.586   1.080  -0.631
  646   HD13  ILE 106          2HD1      ILE 106   7.167  -0.594  -0.452
  647    H    ILE 107           H        ILE 107   4.417   1.697  -5.470
  648    HA   ILE 107           HA       ILE 107   6.491   3.689  -6.179
  649    HB   ILE 107           HB       ILE 107   3.644   3.579  -7.178
  650   HG12  ILE 107          2HG1      ILE 107   4.763   1.503  -7.951
  651   HG21  ILE 107          1HG2      ILE 107   4.687   5.749  -7.306
  652   HG22  ILE 107          2HG2      ILE 107   6.127   5.089  -8.085
  653   HG23  ILE 107          3HG2      ILE 107   4.567   5.061  -8.936
  654   HD11  ILE 107          3HD1      ILE 107   6.496   1.566  -9.587
  655   HD12  ILE 107          1HD1      ILE 107   6.697   3.318  -9.390
  656   HD13  ILE 107          2HD1      ILE 107   7.036   2.210  -8.025
  657    H    VAL 108           H        VAL 108   6.694   4.992  -4.342
  658    HA   VAL 108           HA       VAL 108   4.220   5.496  -2.737
  659    HB   VAL 108           HB       VAL 108   5.426   5.749  -0.788
  660   HG11  VAL 108          1HG1      VAL 108   5.047   3.415  -1.531
  661   HG12  VAL 108          2HG1      VAL 108   6.695   3.377  -2.201
  662   HG13  VAL 108          3HG1      VAL 108   6.446   3.595  -0.457
  663   HG21  VAL 108          3HG2      VAL 108   7.930   5.546  -0.666
  664   HG22  VAL 108          1HG2      VAL 108   7.959   5.745  -2.436
  665   HG23  VAL 108          2HG2      VAL 108   7.339   7.041  -1.400
  666    H    ALA 109           H        ALA 109   4.195   7.594  -1.558
  667    HA   ALA 109           HA       ALA 109   5.002   9.807  -3.401
  668    HB1  ALA 109           3HB      ALA 109   2.966  10.898  -2.611
  669    HB2  ALA 109           1HB      ALA 109   2.565   9.270  -3.222
  670    HB3  ALA 109           2HB      ALA 109   2.686   9.569  -1.477
  671    H    CYS 110           H        CYS 110   6.869  10.703  -2.398
  672    HA   CYS 110           HA       CYS 110   6.866  10.929   0.559
  673    HB2  CYS 110           2HB      CYS 110   8.786   9.795  -0.792
  674    H    GLY 111           H        GLY 111   7.303  12.706   1.770
  675    HA2  GLY 111           2HA      GLY 111   8.097  15.210   0.826
  676    H    GLY 112           H        GLY 112   6.429  16.804   2.539
  677    HA2  GLY 112           2HA      GLY 112   5.986  17.368   4.712
  678    H    LYS 113           H        LYS 113   8.398  18.031   4.466
  679    HA   LYS 113           HA       LYS 113  10.607  16.892   5.229
  680    HB2  LYS 113           2HB      LYS 113  11.506  19.006   5.979
  681    HG2  LYS 113           2HG      LYS 113   8.626  20.020   5.859
  682    HD2  LYS 113           2HD      LYS 113  11.295  21.439   6.289
  683    HE2  LYS 113           2HE      LYS 113   8.437  22.541   6.278
  684    HZ1  LYS 113           3HZ      LYS 113   9.499  24.581   6.913
  685    HZ2  LYS 113           1HZ      LYS 113  10.996  23.916   6.790
  686    HZ3  LYS 113           2HZ      LYS 113  10.065  24.108   5.445
  687    HA   PRO 114           HA       PRO 114  12.572  16.327   6.407
  688    HB2  PRO 114           2HB      PRO 114  13.305  13.984   7.618
  689    HG2  PRO 114           2HG      PRO 114  11.322  13.787   8.984
  690    HD2  PRO 114           2HD      PRO 114  10.076  15.704   9.593
  691    H    SER 115           H        SER 115  12.627  14.966   4.590
  692    HA   SER 115           HA       SER 115  10.096  14.354   3.674
  693    HB2  SER 115           2HB      SER 115  12.291  14.865   2.370
  694    HG   SER 115           HG       SER 115  11.413  13.650   0.555
  695    H    VAL 116           H        VAL 116   8.733  12.676   4.069
  696    HA   VAL 116           HA       VAL 116   9.781   9.919   4.484
  697    HB   VAL 116           HB       VAL 116   8.044   9.702   6.317
  698   HG11  VAL 116          1HG1      VAL 116  10.438   9.863   6.850
  699   HG12  VAL 116          2HG1      VAL 116  10.346  11.625   6.862
  700   HG13  VAL 116          3HG1      VAL 116   9.460  10.701   8.076
  701   HG21  VAL 116          3HG2      VAL 116   7.228  11.688   7.453
  702   HG22  VAL 116          1HG2      VAL 116   8.105  12.756   6.352
  703   HG23  VAL 116          2HG2      VAL 116   6.757  11.799   5.748
  704    HA   PRO 117           HA       PRO 117   6.451   9.332   1.701
  705    HB2  PRO 117           2HB      PRO 117   5.860   6.649   1.915
  706    HG2  PRO 117           2HG      PRO 117   7.345   6.003   3.618
  707    HD2  PRO 117           2HD      PRO 117   8.622   7.642   4.681
  708    H    VAL 118           H        VAL 118   4.389   9.764   1.635
  709    HA   VAL 118           HA       VAL 118   2.765   9.473   4.128
  710    HB   VAL 118           HB       VAL 118   1.796  11.704   3.508
  711   HG11  VAL 118          1HG1      VAL 118   3.465  11.539   5.279
  712   HG12  VAL 118          2HG1      VAL 118   4.776  11.724   4.099
  713   HG13  VAL 118          3HG1      VAL 118   3.643  13.055   4.384
  714   HG21  VAL 118          3HG2      VAL 118   2.960  13.193   1.992
  715   HG22  VAL 118          1HG2      VAL 118   4.195  11.977   1.639
  716   HG23  VAL 118          2HG2      VAL 118   2.519  11.731   1.096
  717    H    HIS 119           H        HIS 119   2.875   8.836   0.736
  718    HA   HIS 119           HA       HIS 119   0.226   7.700   1.006
  719    HB2  HIS 119           2HB      HIS 119  -0.026  10.142   0.075
  720    HD1  HIS 119           HD1      HIS 119  -1.282   7.946  -2.791
  721    HD2  HIS 119           HD2      HIS 119  -2.324   9.036   1.170
  722    HE1  HIS 119           HE1      HIS 119  -3.756   7.433  -2.530
  723    HE2  HIS 119           HE2      HIS 119  -4.399   8.078  -0.126
  724    H    PHE 120           H        PHE 120  -0.285   6.562  -1.149
  725    HA   PHE 120           HA       PHE 120   2.134   5.336  -2.365
  726    HB2  PHE 120           2HB      PHE 120   1.217   3.773  -0.834
  727    HD1  PHE 120           HD1      PHE 120   2.725   2.684  -2.687
  728    HD2  PHE 120           HD2      PHE 120  -1.582   2.901  -2.932
  729    HE1  PHE 120           HE1      PHE 120   2.661   0.460  -3.785
  730    HE2  PHE 120           HE2      PHE 120  -1.612   0.750  -4.158
  731    HZ   PHE 120           HZ       PHE 120   0.495  -0.479  -4.558
  732    H    ASP 121           H        ASP 121   1.996   5.106  -4.601
  733    HA   ASP 121           HA       ASP 121  -0.398   6.224  -5.970
  734    HB2  ASP 121           2HB      ASP 121   1.762   7.132  -6.655
  735    H    ALA 122           H        ALA 122   1.767   3.320  -6.139
  736    HA   ALA 122           HA       ALA 122  -0.261   1.404  -6.720
  737    HB1  ALA 122           3HB      ALA 122   0.271   1.072  -9.139
  738    HB2  ALA 122           1HB      ALA 122  -0.450   2.660  -8.874
  739    HB3  ALA 122           2HB      ALA 122   1.304   2.515  -9.104
  740    H    SER 123           H        SER 123   1.138  -0.571  -7.951
  741    HA   SER 123           HA       SER 123   3.952  -0.418  -7.063
  742    HB2  SER 123           2HB      SER 123   2.276  -2.923  -6.716
  743    HG   SER 123           HG       SER 123   2.584  -2.495  -4.491
  744    H    VAL 124           H        VAL 124   5.302  -0.901  -8.773
  745    HA   VAL 124           HA       VAL 124   4.791  -3.191 -10.266
  746    HB   VAL 124           HB       VAL 124   3.444  -1.203 -11.493
  747   HG11  VAL 124          1HG1      VAL 124   5.443   0.082 -12.141
  748   HG12  VAL 124          2HG1      VAL 124   6.048  -1.328 -13.050
  749   HG13  VAL 124          3HG1      VAL 124   4.540  -0.535 -13.533
  750   HG21  VAL 124          3HG2      VAL 124   3.411  -2.758 -13.430
  751   HG22  VAL 124          1HG2      VAL 124   4.799  -3.629 -12.734
  752   HG23  VAL 124          2HG2      VAL 124   3.239  -3.600 -11.885
  Start of MODEL    2
    1    HA   LYS   1           HA       LYS   1  -0.207  12.987  17.580
    2    HB2  LYS   1           2HB      LYS   1   0.025  14.911  16.154
    3    HG2  LYS   1           2HG      LYS   1   2.508  15.783  17.714
    4    HD2  LYS   1           2HD      LYS   1   0.802  17.025  15.552
    5    HE2  LYS   1           2HE      LYS   1   2.906  18.455  15.019
    6    HZ1  LYS   1           2HZ      LYS   1   2.236  17.151  13.269
    7    HZ2  LYS   1           3HZ      LYS   1   3.748  16.514  13.483
    8    HZ3  LYS   1           1HZ      LYS   1   2.461  15.738  14.051
    9    H    GLU   2           H        GLU   2   0.037  12.421  15.235
   10    HA   GLU   2           HA       GLU   2   2.628  11.221  14.511
   11    HB2  GLU   2           2HB      GLU   2   1.477  10.476  12.559
   12    HG2  GLU   2           2HG      GLU   2   0.023  12.725  12.300
   13    H    SER   3           H        SER   3   3.205  11.894  12.111
   14    HA   SER   3           HA       SER   3   2.518  14.683  11.408
   15    HB2  SER   3           2HB      SER   3   5.351  13.651  11.522
   16    HG   SER   3           HG       SER   3   5.658  15.362  12.883
   17    H    ALA   4           H        ALA   4   1.204  12.588  10.594
   18    HA   ALA   4           HA       ALA   4   0.349  11.521   8.835
   19    HB1  ALA   4           3HB      ALA   4   0.848  12.243   6.564
   20    HB2  ALA   4           1HB      ALA   4   0.671  13.649   7.630
   21    HB3  ALA   4           2HB      ALA   4   2.284  13.127   7.099
   22    H    ALA   5           H        ALA   5   3.848  11.714   8.072
   23    HA   ALA   5           HA       ALA   5   4.190   9.450   6.605
   24    HB1  ALA   5           3HB      ALA   5   6.525   9.422   7.371
   25    HB2  ALA   5           1HB      ALA   5   5.969  11.076   7.058
   26    HB3  ALA   5           2HB      ALA   5   6.111  10.495   8.728
   27    H    ALA   6           H        ALA   6   4.596   9.489  10.173
   28    HA   ALA   6           HA       ALA   6   5.054   6.755  10.537
   29    HB1  ALA   6           3HB      ALA   6   4.385   7.145  12.872
   30    HB2  ALA   6           1HB      ALA   6   5.402   8.468  12.268
   31    HB3  ALA   6           2HB      ALA   6   3.643   8.694  12.420
   32    H    LYS   7           H        LYS   7   1.940   8.454  10.184
   33    HA   LYS   7           HA       LYS   7   0.320   6.234  11.165
   34    HB2  LYS   7           2HB      LYS   7  -0.091   8.834  11.141
   35    HG2  LYS   7           2HG      LYS   7  -2.280   6.892  10.336
   36    HD2  LYS   7           2HD      LYS   7  -2.198   9.856  10.934
   37    HE2  LYS   7           2HE      LYS   7  -4.669   8.118  11.480
   38    HZ1  LYS   7           3HZ      LYS   7  -5.400  10.153  12.571
   39    HZ2  LYS   7           1HZ      LYS   7  -3.981  10.882  12.221
   40    HZ3  LYS   7           2HZ      LYS   7  -5.015  10.512  10.998
   41    H    PHE   8           H        PHE   8   1.120   7.751   8.035
   42    HA   PHE   8           HA       PHE   8  -0.265   5.987   6.272
   43    HB2  PHE   8           2HB      PHE   8   0.531   7.764   5.100
   44    HD1  PHE   8           HD1      PHE   8   0.628   5.513   3.586
   45    HD2  PHE   8           HD2      PHE   8   4.080   7.336   5.418
   46    HE1  PHE   8           HE1      PHE   8   2.148   4.294   2.038
   47    HE2  PHE   8           HE2      PHE   8   5.536   6.098   3.922
   48    HZ   PHE   8           HZ       PHE   8   4.550   4.791   1.995
   49    H    GLU   9           H        GLU   9   3.106   5.877   7.439
   50    HA   GLU   9           HA       GLU   9   3.905   3.396   6.466
   51    HB2  GLU   9           2HB      GLU   9   4.696   5.074   8.823
   52    HG2  GLU   9           2HG      GLU   9   6.322   3.657   6.695
   53    H    ARG  10           H        ARG  10   2.611   3.921   9.819
   54    HA   ARG  10           HA       ARG  10   2.613   1.198  10.275
   55    HB2  ARG  10           2HB      ARG  10   0.828   3.350  11.489
   56    HG2  ARG  10           2HG      ARG  10   3.477   3.347  11.758
   57    HD2  ARG  10           2HD      ARG  10   3.591   0.905  12.327
   58    HE   ARG  10           HE       ARG  10   1.711   1.704  14.355
   59   HH11  ARG  10          1HH2      ARG  10   4.461  -0.438  13.817
   60   HH12  ARG  10          2HH2      ARG  10   4.045  -1.588  15.046
   61   HH21  ARG  10          1HH1      ARG  10   1.126   0.202  16.056
   62   HH22  ARG  10          2HH1      ARG  10   2.100  -1.200  16.355
   63    H    GLN  11           H        GLN  11  -0.007   3.147   8.827
   64    HA   GLN  11           HA       GLN  11  -2.002   1.074   8.837
   65    HB2  GLN  11           2HB      GLN  11  -1.597   3.536   7.128
   66    HG2  GLN  11           2HG      GLN  11  -3.727   2.890   9.230
   67   HE21  GLN  11          2HE2      GLN  11  -1.744   5.593   8.023
   68   HE22  GLN  11          1HE2      GLN  11  -3.095   6.661   7.601
   69    H    HIS  12           H        HIS  12   0.215   2.195   6.232
   70    HA   HIS  12           HA       HIS  12  -0.853   0.092   4.475
   71    HB2  HIS  12           2HB      HIS  12  -0.199   1.388   2.766
   72    HD1  HIS  12           HD1      HIS  12   2.358   3.012   5.150
   73    HD2  HIS  12           HD2      HIS  12   2.045   0.811   1.575
   74    HE1  HIS  12           HE1      HIS  12   4.768   2.762   4.230
   75    HE2  HIS  12           HE2      HIS  12   4.559   1.428   2.040
   76    H    MET  13           H        MET  13   2.032   0.584   6.356
   77    HA   MET  13           HA       MET  13   3.565  -1.526   4.943
   78    HB2  MET  13           2HB      MET  13   4.320   1.032   5.903
   79    HG2  MET  13           2HG      MET  13   5.468  -0.292   4.099
   80    HE1  MET  13           3HE      MET  13   8.729  -2.456   4.308
   81    HE2  MET  13           1HE      MET  13   7.638  -1.577   3.244
   82    HE3  MET  13           2HE      MET  13   8.587  -0.702   4.455
   83    H    ASP  14           H        ASP  14   3.751  -3.494   6.013
   84    HA   ASP  14           HA       ASP  14   3.983  -3.393   8.922
   85    HB2  ASP  14           2HB      ASP  14   1.494  -3.842   8.370
   86    H    SER  15           H        SER  15   5.816  -4.522   9.371
   87    HA   SER  15           HA       SER  15   7.150  -6.051   7.393
   88    HB2  SER  15           2HB      SER  15   8.459  -6.695   9.622
   89    HG   SER  15           HG       SER  15   6.759  -5.926  11.025
   90    H    GLY  16           H        GLY  16   4.541  -6.913   9.634
   91    HA2  GLY  16           2HA      GLY  16   5.063  -9.695   9.942
   92    H    ASN  17           H        ASN  17   3.363 -11.337   8.910
   93    HA   ASN  17           HA       ASN  17   2.636 -10.960   6.182
   94    HB2  ASN  17           2HB      ASN  17   5.198 -11.178   6.013
   95   HD21  ASN  17          2HD2      ASN  17   6.099 -13.496   4.647
   96   HD22  ASN  17          1HD2      ASN  17   5.071 -13.683   3.237
   97    H    SER  18           H        SER  18   2.135 -13.377   5.299
   98    HA   SER  18           HA       SER  18   1.681 -15.357   7.389
   99    HB2  SER  18           2HB      SER  18  -0.502 -13.714   6.353
  100    HG   SER  18           HG       SER  18  -0.282 -14.671   8.455
  101    HA   PRO  19           HA       PRO  19   2.689 -17.869   3.756
  102    HB2  PRO  19           2HB      PRO  19   1.003 -20.033   3.901
  103    HG2  PRO  19           2HG      PRO  19  -0.534 -19.043   5.476
  104    HD2  PRO  19           2HD      PRO  19   0.153 -17.364   6.953
  105    H    SER  20           H        SER  20   1.332 -18.901   1.765
  106    HA   SER  20           HA       SER  20  -0.057 -16.747   0.565
  107    HB2  SER  20           2HB      SER  20  -0.418 -18.922  -1.056
  108    HG   SER  20           HG       SER  20   1.410 -20.241  -0.746
  109    H    SER  21           H        SER  21  -1.681 -16.627   2.392
  110    HA   SER  21           HA       SER  21  -4.074 -18.287   1.767
  111    HB2  SER  21           2HB      SER  21  -3.580 -18.094   4.159
  112    HG   SER  21           HG       SER  21  -5.537 -17.171   4.826
  113    H    SER  22           H        SER  22  -6.118 -17.088   1.589
  114    HA   SER  22           HA       SER  22  -5.983 -14.700  -0.129
  115    HB2  SER  22           2HB      SER  22  -8.498 -15.278  -0.186
  116    HG   SER  22           HG       SER  22  -8.845 -17.505   0.465
  117    H    SER  23           H        SER  23  -6.732 -15.728   3.205
  118    HA   SER  23           HA       SER  23  -8.425 -13.346   3.668
  119    HB2  SER  23           2HB      SER  23  -9.082 -14.729   5.674
  120    HG   SER  23           HG       SER  23  -8.358 -16.968   5.478
  121    H    ASN  24           H        ASN  24  -6.174 -15.228   5.572
  122    HA   ASN  24           HA       ASN  24  -5.752 -14.282   7.815
  123    HB2  ASN  24           2HB      ASN  24  -3.356 -14.541   5.980
  124   HD21  ASN  24          2HD2      ASN  24  -2.114 -16.433   7.638
  125   HD22  ASN  24          1HD2      ASN  24  -3.000 -17.953   7.454
  126    H    TYR  25           H        TYR  25  -3.017 -12.737   6.540
  127    HA   TYR  25           HA       TYR  25  -2.891 -10.458   7.906
  128    HB2  TYR  25           2HB      TYR  25  -1.624  -9.635   5.778
  129    HD1  TYR  25           HD2      TYR  25  -3.810 -11.913   4.375
  130    HD2  TYR  25           HD1      TYR  25   0.439 -11.318   4.779
  131    HE1  TYR  25           HE2      TYR  25  -3.443 -13.737   2.875
  132    HE2  TYR  25           HE1      TYR  25   0.802 -12.975   3.014
  133    HH   TYR  25           HH       TYR  25  -1.991 -14.668   1.426
  134    H    CYS  26           H        CYS  26  -5.132 -10.894   5.187
  135    HA   CYS  26           HA       CYS  26  -5.320  -8.081   4.489
  136    HB2  CYS  26           2HB      CYS  26  -6.479 -10.561   3.567
  137    H    ASN  27           H        ASN  27  -7.396 -10.430   6.153
  138    HA   ASN  27           HA       ASN  27  -9.179  -8.354   7.142
  139    HB2  ASN  27           2HB      ASN  27  -8.975 -11.327   7.890
  140   HD21  ASN  27          2HD2      ASN  27  -8.667 -11.739   5.467
  141   HD22  ASN  27          1HD2      ASN  27 -10.116 -11.674   4.477
  142    H    LEU  28           H        LEU  28  -6.647 -10.425   8.532
  143    HA   LEU  28           HA       LEU  28  -6.857  -9.763  11.217
  144    HB2  LEU  28           2HB      LEU  28  -5.371 -11.490  10.186
  145    HG   LEU  28           HG       LEU  28  -3.533 -11.470  11.591
  146   HD11  LEU  28          1HD1      LEU  28  -2.670  -9.186  11.014
  147   HD12  LEU  28          2HD1      LEU  28  -3.776  -8.513  12.234
  148   HD13  LEU  28          3HD1      LEU  28  -2.519  -9.653  12.716
  149   HD21  LEU  28          3HD2      LEU  28  -4.418 -11.032  13.798
  150   HD22  LEU  28          1HD2      LEU  28  -5.643  -9.928  13.153
  151   HD23  LEU  28          2HD2      LEU  28  -5.714 -11.664  12.766
  152    H    MET  29           H        MET  29  -4.726  -8.158   8.731
  153    HA   MET  29           HA       MET  29  -3.823  -6.241  10.625
  154    HB2  MET  29           2HB      MET  29  -2.674  -6.934   8.506
  155    HG2  MET  29           2HG      MET  29  -3.039  -3.979   9.138
  156    HE1  MET  29           3HE      MET  29   0.226  -5.688   6.372
  157    HE2  MET  29           1HE      MET  29  -0.131  -6.331   7.994
  158    HE3  MET  29           2HE      MET  29  -1.304  -6.537   6.667
  159    H    MET  30           H        MET  30  -6.457  -6.046   8.106
  160    HA   MET  30           HA       MET  30  -7.138  -3.343   8.715
  161    HB2  MET  30           2HB      MET  30  -8.674  -5.687   7.551
  162    HG2  MET  30           2HG      MET  30  -9.170  -3.274   6.195
  163    HE1  MET  30           3HE      MET  30  -7.498  -3.974   2.839
  164    HE2  MET  30           1HE      MET  30  -8.545  -2.914   3.803
  165    HE3  MET  30           2HE      MET  30  -6.790  -2.939   4.107
  166    H    CYS  31           H        CYS  31  -8.251  -6.363  10.296
  167    HA   CYS  31           HA       CYS  31 -10.064  -5.088  12.081
  168    HB2  CYS  31           2HB      CYS  31 -10.111  -7.503  11.690
  169    HG   CYS  31           HG       CYS  31 -10.246  -8.505  14.114
  170    H    CYS  32           H        CYS  32  -6.660  -6.122  12.592
  171    HA   CYS  32           HA       CYS  32  -6.475  -5.183  15.263
  172    HB2  CYS  32           2HB      CYS  32  -4.384  -5.865  13.160
  173    HG   CYS  32           HG       CYS  32  -3.716  -7.878  14.697
  174    H    ARG  33           H        ARG  33  -5.470  -3.603  12.185
  175    HA   ARG  33           HA       ARG  33  -4.616  -1.189  13.546
  176    HB2  ARG  33           2HB      ARG  33  -4.261  -2.178  10.968
  177    HG2  ARG  33           2HG      ARG  33  -3.863   0.590  10.704
  178    HD2  ARG  33           2HD      ARG  33  -2.179  -0.916   9.993
  179    HE   ARG  33           HE       ARG  33  -2.489  -2.253  12.501
  180   HH11  ARG  33          1HH2      ARG  33   0.093  -1.486  10.074
  181   HH12  ARG  33          2HH2      ARG  33   0.808  -3.092  10.309
  182   HH21  ARG  33          1HH1      ARG  33  -1.274  -4.304  12.744
  183   HH22  ARG  33          2HH1      ARG  33   0.151  -4.492  11.711
  184    H    LYS  34           H        LYS  34  -7.612  -2.515  12.360
  185    HA   LYS  34           HA       LYS  34  -9.688  -2.110  12.658
  186    HB2  LYS  34           2HB      LYS  34  -8.701  -1.211  15.002
  187    HG2  LYS  34           2HG      LYS  34 -10.661  -2.560  14.800
  188    HD2  LYS  34           2HD      LYS  34 -12.059  -0.042  13.789
  189    HE2  LYS  34           2HE      LYS  34 -14.045  -1.600  13.539
  190    HZ1  LYS  34           3HZ      LYS  34 -14.717  -1.497  15.792
  191    HZ2  LYS  34           1HZ      LYS  34 -13.175  -1.246  16.321
  192    HZ3  LYS  34           2HZ      LYS  34 -13.923  -0.113  15.381
  193    H    MET  35           H        MET  35  -8.870  -1.454  10.426
  194    HA   MET  35           HA       MET  35  -9.534   1.265   9.600
  195    HB2  MET  35           2HB      MET  35  -9.240  -1.340   8.047
  196    HG2  MET  35           2HG      MET  35  -7.167  -0.029   9.239
  197    HE1  MET  35           3HE      MET  35  -7.182   3.675   7.854
  198    HE2  MET  35           1HE      MET  35  -8.666   2.731   8.083
  199    HE3  MET  35           2HE      MET  35  -7.356   2.650   9.296
  200    H    THR  36           H        THR  36 -11.267  -1.804   9.978
  201    HA   THR  36           HA       THR  36 -13.554  -1.094   8.370
  202    HB   THR  36           HB       THR  36 -14.286  -3.345   9.384
  203    HG1  THR  36           HG1      THR  36 -12.607  -4.423  10.484
  204   HG21  THR  36          1HG2      THR  36 -13.230  -3.164   7.186
  205   HG22  THR  36          2HG2      THR  36 -11.616  -3.181   7.921
  206   HG23  THR  36          3HG2      THR  36 -12.664  -4.614   8.032
  207    H    GLN  37           H        GLN  37 -13.485   0.970   9.903
  208    HA   GLN  37           HA       GLN  37 -15.120   0.728  12.338
  209    HB2  GLN  37           2HB      GLN  37 -14.031   3.015  10.689
  210    HG2  GLN  37           2HG      GLN  37 -12.614   1.747  12.434
  211   HE21  GLN  37          2HE2      GLN  37 -14.148   4.507  14.155
  212   HE22  GLN  37          1HE2      GLN  37 -14.562   3.602  15.595
  213    H    GLY  38           H        GLY  38 -16.250   3.263  10.326
  214    HA2  GLY  38           2HA      GLY  38 -18.930   2.216  10.515
  215    H    LYS  39           H        LYS  39 -16.500   1.614   8.206
  216    HA   LYS  39           HA       LYS  39 -18.255   0.284   6.426
  217    HB2  LYS  39           2HB      LYS  39 -17.447   1.576   4.365
  218    HG2  LYS  39           2HG      LYS  39 -16.987   3.745   6.475
  219    HD2  LYS  39           2HD      LYS  39 -16.999   3.955   3.442
  220    HE2  LYS  39           2HE      LYS  39 -16.731   6.009   5.708
  221    HZ1  LYS  39           3HZ      LYS  39 -16.553   7.613   3.962
  222    HZ2  LYS  39           1HZ      LYS  39 -16.859   6.485   2.806
  223    HZ3  LYS  39           2HZ      LYS  39 -18.023   6.887   3.898
  224    H    CYS  40           H        CYS  40 -16.816  -0.703   4.664
  225    HA   CYS  40           HA       CYS  40 -14.212  -1.496   5.901
  226    HB2  CYS  40           2HB      CYS  40 -16.027  -3.233   5.734
  227    H    LYS  41           H        LYS  41 -12.431  -1.978   4.223
  228    HA   LYS  41           HA       LYS  41 -12.533   0.208   2.270
  229    HB2  LYS  41           2HB      LYS  41 -10.581  -0.311   3.928
  230    HG2  LYS  41           2HG      LYS  41  -8.874   0.306   2.230
  231    HD2  LYS  41           2HD      LYS  41 -11.316   2.096   1.900
  232    HE2  LYS  41           2HE      LYS  41  -9.639   3.870   1.834
  233    HZ1  LYS  41           3HZ      LYS  41  -8.419   3.298  -0.138
  234    HZ2  LYS  41           1HZ      LYS  41  -8.719   1.700   0.046
  235    HZ3  LYS  41           2HZ      LYS  41  -9.955   2.738  -0.283
  236    HA   PRO  42           HA       PRO  42 -13.214  -3.029  -0.844
  237    HB2  PRO  42           2HB      PRO  42 -13.353  -1.487  -3.098
  238    HG2  PRO  42           2HG      PRO  42 -12.440   0.546  -2.180
  239    HD2  PRO  42           2HD      PRO  42 -12.313   0.828   0.132
  240    H    VAL  43           H        VAL  43 -10.625  -0.593  -1.004
  241    HA   VAL  43           HA       VAL  43  -8.750  -2.635  -2.039
  242    HB   VAL  43           HB       VAL  43  -7.742  -0.782  -3.495
  243   HG11  VAL  43          1HG1      VAL  43  -8.736  -2.779  -4.428
  244   HG12  VAL  43          2HG1      VAL  43 -10.363  -2.054  -4.360
  245   HG13  VAL  43          3HG1      VAL  43  -9.121  -1.377  -5.431
  246   HG21  VAL  43          3HG2      VAL  43  -9.197   0.887  -4.441
  247   HG22  VAL  43          1HG2      VAL  43 -10.578   0.323  -3.498
  248   HG23  VAL  43          2HG2      VAL  43  -9.201   1.112  -2.691
  249    H    ASN  44           H        ASN  44  -6.912  -2.657  -0.865
  250    HA   ASN  44           HA       ASN  44  -5.693  -0.133  -0.056
  251    HB2  ASN  44           2HB      ASN  44  -7.138  -1.017   1.925
  252   HD21  ASN  44          2HD2      ASN  44  -6.245  -0.823   4.254
  253   HD22  ASN  44          1HD2      ASN  44  -4.832   0.202   4.427
  254    H    THR  45           H        THR  45  -3.342  -0.622   0.485
  255    HA   THR  45           HA       THR  45  -2.460  -3.204  -0.715
  256    HB   THR  45           HB       THR  45  -1.167  -0.556  -1.360
  257    HG1  THR  45           HG1      THR  45  -2.940  -2.084  -2.992
  258   HG21  THR  45          1HG2      THR  45   0.314  -2.471  -1.614
  259   HG22  THR  45          2HG2      THR  45  -0.934  -3.386  -2.491
  260   HG23  THR  45          3HG2      THR  45  -0.209  -1.962  -3.231
  261    H    PHE  46           H        PHE  46  -1.631  -4.266   0.937
  262    HA   PHE  46           HA       PHE  46  -0.241  -2.828   3.103
  263    HB2  PHE  46           2HB      PHE  46  -1.048  -5.705   2.733
  264    HD1  PHE  46           HD1      PHE  46  -2.029  -2.411   4.139
  265    HD2  PHE  46           HD2      PHE  46  -2.839  -6.640   4.092
  266    HE1  PHE  46           HE1      PHE  46  -3.997  -2.051   5.587
  267    HE2  PHE  46           HE2      PHE  46  -4.852  -6.244   5.472
  268    HZ   PHE  46           HZ       PHE  46  -5.411  -4.030   6.270
  269    H    VAL  47           H        VAL  47   1.753  -2.254   2.477
  270    HA   VAL  47           HA       VAL  47   3.540  -3.997   0.921
  271    HB   VAL  47           HB       VAL  47   4.071  -1.498   2.576
  272   HG11  VAL  47          1HG1      VAL  47   6.108  -2.886   2.293
  273   HG12  VAL  47          2HG1      VAL  47   5.828  -2.966   0.549
  274   HG13  VAL  47          3HG1      VAL  47   6.213  -1.411   1.318
  275   HG21  VAL  47          3HG2      VAL  47   4.138  -0.247   0.529
  276   HG22  VAL  47          1HG2      VAL  47   3.978  -1.691  -0.455
  277   HG23  VAL  47          2HG2      VAL  47   2.601  -1.138   0.510
  278    H    HIS  48           H        HIS  48   4.823  -5.573   1.768
  279    HA   HIS  48           HA       HIS  48   5.439  -5.545   4.694
  280    HB2  HIS  48           2HB      HIS  48   4.077  -7.443   4.629
  281    HD1  HIS  48           HD1      HIS  48   5.993  -8.574   6.284
  282    HD2  HIS  48           HD2      HIS  48   6.643  -8.758   2.135
  283    HE1  HIS  48           HE1      HIS  48   8.340  -9.568   5.940
  284    HE2  HIS  48           HE2      HIS  48   8.726  -9.573   3.381
  285    H    GLU  49           H        GLU  49   7.547  -5.197   4.951
  286    HA   GLU  49           HA       GLU  49   9.578  -6.675   4.185
  287    HB2  GLU  49           2HB      GLU  49   9.002  -5.119   1.784
  288    HG2  GLU  49           2HG      GLU  49  11.045  -6.236   0.943
  289    H    SER  50           H        SER  50  11.722  -4.879   4.116
  290    HA   SER  50           HA       SER  50  11.935  -3.912   6.706
  291    HB2  SER  50           2HB      SER  50  13.436  -3.107   4.201
  292    HG   SER  50           HG       SER  50  14.674  -4.965   4.674
  293    H    LEU  51           H        LEU  51  10.752  -2.255   7.560
  294    HA   LEU  51           HA       LEU  51   9.450  -0.158   6.400
  295    HB2  LEU  51           2HB      LEU  51   9.338  -0.855   8.775
  296    HG   LEU  51           HG       LEU  51   9.994   2.117   8.492
  297   HD11  LEU  51          1HD1      LEU  51   8.156   1.586   6.994
  298   HD12  LEU  51          2HD1      LEU  51   7.382   0.555   8.225
  299   HD13  LEU  51          3HD1      LEU  51   7.471   2.310   8.450
  300   HD21  LEU  51          3HD2      LEU  51   8.670   2.360  10.542
  301   HD22  LEU  51          1HD2      LEU  51   8.446   0.598  10.632
  302   HD23  LEU  51          2HD2      LEU  51  10.067   1.306  10.823
  303    H    ALA  52           H        ALA  52  12.858  -0.002   7.525
  304    HA   ALA  52           HA       ALA  52  13.246   2.720   6.896
  305    HB1  ALA  52           3HB      ALA  52  15.659   2.187   7.008
  306    HB2  ALA  52           1HB      ALA  52  14.769   1.412   8.335
  307    HB3  ALA  52           2HB      ALA  52  15.290   0.451   6.930
  308    H    ASP  53           H        ASP  53  13.141  -0.102   4.750
  309    HA   ASP  53           HA       ASP  53  14.731   1.077   2.645
  310    HB2  ASP  53           2HB      ASP  53  14.163  -1.393   3.055
  311    H    VAL  54           H        VAL  54  11.221   0.726   3.307
  312    HA   VAL  54           HA       VAL  54  10.178   2.367   1.238
  313    HB   VAL  54           HB       VAL  54   9.256   1.612   3.996
  314   HG11  VAL  54          1HG1      VAL  54   8.518   3.900   4.001
  315   HG12  VAL  54          2HG1      VAL  54   7.938   3.776   2.315
  316   HG13  VAL  54          3HG1      VAL  54   7.142   2.873   3.621
  317   HG21  VAL  54          3HG2      VAL  54   7.394   0.697   2.683
  318   HG22  VAL  54          1HG2      VAL  54   8.037   1.457   1.221
  319   HG23  VAL  54          2HG2      VAL  54   8.947   0.143   2.010
  320    H    LYS  55           H        LYS  55  11.476   3.392   4.407
  321    HA   LYS  55           HA       LYS  55  11.237   6.186   4.090
  322    HB2  LYS  55           2HB      LYS  55  12.598   4.454   5.812
  323    HG2  LYS  55           2HG      LYS  55  13.248   6.622   7.024
  324    HD2  LYS  55           2HD      LYS  55  10.393   5.791   6.388
  325    HE2  LYS  55           2HE      LYS  55  11.415   7.221   8.896
  326    HZ1  LYS  55           3HZ      LYS  55   9.124   7.635   9.290
  327    HZ2  LYS  55           1HZ      LYS  55   8.670   7.169   7.786
  328    HZ3  LYS  55           2HZ      LYS  55   9.119   6.055   8.801
  329    H    ALA  56           H        ALA  56  13.923   4.097   2.930
  330    HA   ALA  56           HA       ALA  56  15.341   6.158   1.585
  331    HB1  ALA  56           3HB      ALA  56  16.585   4.391   0.505
  332    HB2  ALA  56           1HB      ALA  56  16.322   3.976   2.210
  333    HB3  ALA  56           2HB      ALA  56  15.369   3.182   0.938
  334    H    VAL  57           H        VAL  57  12.895   3.854   0.303
  335    HA   VAL  57           HA       VAL  57  13.000   4.279  -2.387
  336    HB   VAL  57           HB       VAL  57  10.488   4.004  -0.690
  337   HG11  VAL  57          1HG1      VAL  57   9.768   4.914  -2.797
  338   HG12  VAL  57          2HG1      VAL  57  10.862   3.871  -3.693
  339   HG13  VAL  57          3HG1      VAL  57   9.461   3.179  -2.843
  340   HG21  VAL  57          3HG2      VAL  57  10.615   1.640  -1.476
  341   HG22  VAL  57          1HG2      VAL  57  12.192   2.000  -2.231
  342   HG23  VAL  57          2HG2      VAL  57  11.997   2.068  -0.497
  343    H    CYS  58           H        CYS  58  11.114   6.345  -0.138
  344    HA   CYS  58           HA       CYS  58  10.185   8.150  -2.131
  345    HB2  CYS  58           2HB      CYS  58   9.007   8.596  -0.316
  346    H    SER  59           H        SER  59  13.355   7.995  -0.532
  347    HA   SER  59           HA       SER  59  14.141  10.488  -1.990
  348    HB2  SER  59           2HB      SER  59  14.526  10.109   0.588
  349    HG   SER  59           HG       SER  59  16.668  10.859  -1.102
  350    H    GLN  60           H        GLN  60  13.567   8.055  -3.447
  351    HA   GLN  60           HA       GLN  60  16.301   7.276  -4.376
  352    HB2  GLN  60           2HB      GLN  60  14.622   5.639  -3.150
  353    HG2  GLN  60           2HG      GLN  60  15.385   3.781  -4.718
  354   HE21  GLN  60          2HE2      GLN  60  16.626   6.354  -2.590
  355   HE22  GLN  60          1HE2      GLN  60  17.863   5.336  -1.895
  356    H    LYS  61           H        LYS  61  13.944   6.089  -6.517
  357    HA   LYS  61           HA       LYS  61  14.660   8.218  -8.471
  358    HB2  LYS  61           2HB      LYS  61  13.512   5.437  -8.779
  359    HG2  LYS  61           2HG      LYS  61  16.175   6.606  -9.720
  360    HD2  LYS  61           2HD      LYS  61  16.728   4.242 -10.177
  361    HE2  LYS  61           2HE      LYS  61  14.083   4.996 -11.539
  362    HZ1  LYS  61           3HZ      LYS  61  14.943   3.741 -13.341
  363    HZ2  LYS  61           1HZ      LYS  61  16.269   3.285 -12.485
  364    HZ3  LYS  61           2HZ      LYS  61  14.766   2.782 -12.022
  365    H    LYS  62           H        LYS  62  13.158   9.897  -8.297
  366    HA   LYS  62           HA       LYS  62  10.359   9.580  -7.910
  367    HB2  LYS  62           2HB      LYS  62  11.849  11.691  -7.838
  368    HG2  LYS  62           2HG      LYS  62   9.270  11.541  -7.637
  369    HD2  LYS  62           2HD      LYS  62   9.450  13.175 -10.214
  370    HE2  LYS  62           2HE      LYS  62   6.991  12.761 -10.253
  371    HZ1  LYS  62           3HZ      LYS  62   6.370  14.130  -8.463
  372    HZ2  LYS  62           1HZ      LYS  62   7.746  13.864  -7.605
  373    HZ3  LYS  62           2HZ      LYS  62   7.799  14.702  -9.027
  374    H    VAL  63           H        VAL  63   8.689   9.088  -9.426
  375    HA   VAL  63           HA       VAL  63   9.540   8.653 -12.275
  376    HB   VAL  63           HB       VAL  63   8.091   6.680 -12.371
  377   HG11  VAL  63          1HG1      VAL  63  10.560   6.497 -12.043
  378   HG12  VAL  63          2HG1      VAL  63  10.286   6.346 -10.295
  379   HG13  VAL  63          3HG1      VAL  63   9.649   5.120 -11.409
  380   HG21  VAL  63          3HG2      VAL  63   7.385   5.507 -10.345
  381   HG22  VAL  63          1HG2      VAL  63   7.984   6.822  -9.321
  382   HG23  VAL  63          2HG2      VAL  63   6.622   7.096 -10.430
  383    H    THR  64           H        THR  64   7.868   8.803 -13.837
  384    HA   THR  64           HA       THR  64   5.972  10.883 -13.230
  385    HB   THR  64           HB       THR  64   6.148   9.161 -15.716
  386    HG1  THR  64           HG1      THR  64   7.505  10.887 -16.424
  387   HG21  THR  64          1HG2      THR  64   4.085  10.589 -15.461
  388   HG22  THR  64          2HG2      THR  64   5.107  12.001 -15.151
  389   HG23  THR  64          3HG2      THR  64   5.130  11.219 -16.745
  390    H    CYS  65           H        CYS  65   4.891   9.954 -11.569
  391    HA   CYS  65           HA       CYS  65   3.241   7.728 -11.358
  392    HB2  CYS  65           2HB      CYS  65   2.283  10.498 -10.589
  393    H    LYS  66           H        LYS  66   0.896   7.458 -11.810
  394    HA   LYS  66           HA       LYS  66   0.271   8.174 -14.573
  395    HB2  LYS  66           2HB      LYS  66  -0.051   5.908 -13.564
  396    HG2  LYS  66           2HG      LYS  66  -2.185   7.389 -15.042
  397    HD2  LYS  66           2HD      LYS  66  -3.604   5.304 -15.011
  398    HE2  LYS  66           2HE      LYS  66  -3.436   6.850 -12.363
  399    HZ1  LYS  66           3HZ      LYS  66  -5.735   6.402 -12.231
  400    HZ2  LYS  66           1HZ      LYS  66  -5.716   5.472 -13.587
  401    HZ3  LYS  66           2HZ      LYS  66  -4.902   4.987 -12.234
  402    H    ASP  67           H        ASP  67   0.377  10.473 -13.652
  403    HA   ASP  67           HA       ASP  67  -2.013  11.963 -13.539
  404    HB2  ASP  67           2HB      ASP  67  -2.029  12.527 -11.103
  405    H    GLY  68           H        GLY  68   1.350  11.484 -12.457
  406    HA2  GLY  68           2HA      GLY  68   3.169  12.843 -12.363
  407    H    GLN  69           H        GLN  69   1.237  13.139 -10.331
  408    HA   GLN  69           HA       GLN  69   1.310  16.044  -9.640
  409    HB2  GLN  69           2HB      GLN  69  -0.848  15.420 -10.695
  410    HG2  GLN  69           2HG      GLN  69  -1.134  15.794  -7.678
  411   HE21  GLN  69          2HE2      GLN  69  -3.064  14.220  -8.865
  412   HE22  GLN  69          1HE2      GLN  69  -4.498  15.192  -9.152
  413    H    THR  70           H        THR  70   0.673  12.643  -8.489
  414    HA   THR  70           HA       THR  70   1.285  13.316  -5.726
  415    HB   THR  70           HB       THR  70   1.611  10.851  -5.481
  416    HG1  THR  70           HG1      THR  70   1.260   9.538  -7.261
  417   HG21  THR  70          1HG2      THR  70  -0.649  11.869  -5.276
  418   HG22  THR  70          2HG2      THR  70  -0.903  11.632  -7.023
  419   HG23  THR  70          3HG2      THR  70  -0.710  10.225  -5.956
  420    H    ASN  71           H        ASN  71   3.336  13.308  -4.723
  421    HA   ASN  71           HA       ASN  71   5.537  13.537  -6.626
  422    HB2  ASN  71           2HB      ASN  71   5.373  15.151  -4.829
  423   HD21  ASN  71          2HD2      ASN  71   7.553  14.329  -2.768
  424   HD22  ASN  71          1HD2      ASN  71   9.039  14.489  -3.705
  425    H    CYS  72           H        CYS  72   4.920  11.127  -7.109
  426    HA   CYS  72           HA       CYS  72   5.845   9.248  -5.095
  427    HB2  CYS  72           2HB      CYS  72   4.744   7.563  -6.132
  428    H    TYR  73           H        TYR  73   7.254   7.585  -5.242
  429    HA   TYR  73           HA       TYR  73   9.420   7.766  -7.271
  430    HB2  TYR  73           2HB      TYR  73   9.516   7.657  -4.229
  431    HD1  TYR  73           HD1      TYR  73   8.685  10.196  -4.838
  432    HD2  TYR  73           HD2      TYR  73  12.591   8.573  -5.445
  433    HE1  TYR  73           HE1      TYR  73   9.656  12.472  -4.686
  434    HE2  TYR  73           HE2      TYR  73  13.573  10.845  -5.393
  435    HH   TYR  73           HH       TYR  73  13.146  13.083  -5.024
  436    H    GLN  74           H        GLN  74  10.358   5.854  -7.823
  437    HA   GLN  74           HA       GLN  74   8.889   3.391  -7.076
  438    HB2  GLN  74           2HB      GLN  74   9.160   3.834  -9.481
  439    HG2  GLN  74           2HG      GLN  74  10.994   1.559  -8.613
  440   HE21  GLN  74          2HE2      GLN  74   8.816   0.135 -10.711
  441   HE22  GLN  74          1HE2      GLN  74   9.744   0.439 -12.149
  442    H    SER  75           H        SER  75   9.720   1.863  -5.807
  443    HA   SER  75           HA       SER  75  12.163   2.251  -4.424
  444    HB2  SER  75           2HB      SER  75  11.630   0.048  -3.435
  445    HG   SER  75           HG       SER  75  11.020  -1.216  -5.115
  446    H    LYS  76           H        LYS  76  14.183   1.476  -4.648
  447    HA   LYS  76           HA       LYS  76  15.299   0.786  -7.120
  448    HB2  LYS  76           2HB      LYS  76  17.139  -0.250  -5.606
  449    HG2  LYS  76           2HG      LYS  76  15.839   1.427  -3.438
  450    HD2  LYS  76           2HD      LYS  76  17.948  -0.780  -3.444
  451    HE2  LYS  76           2HE      LYS  76  18.011  -0.129  -0.933
  452    HZ1  LYS  76           3HZ      LYS  76  16.049  -1.517  -0.396
  453    HZ2  LYS  76           1HZ      LYS  76  15.706  -1.696  -1.968
  454    HZ3  LYS  76           2HZ      LYS  76  17.137  -2.244  -1.372
  455    H    SER  77           H        SER  77  14.252  -1.382  -4.481
  456    HA   SER  77           HA       SER  77  14.818  -3.810  -6.063
  457    HB2  SER  77           2HB      SER  77  14.561  -4.710  -3.602
  458    HG   SER  77           HG       SER  77  13.757  -2.907  -2.594
  459    H    THR  78           H        THR  78  13.171  -5.639  -5.538
  460    HA   THR  78           HA       THR  78  10.422  -4.665  -5.726
  461    HB   THR  78           HB       THR  78  10.094  -7.223  -5.779
  462    HG1  THR  78           HG1      THR  78  12.004  -8.377  -6.176
  463   HG21  THR  78          1HG2      THR  78  10.126  -5.783  -7.841
  464   HG22  THR  78          2HG2      THR  78  11.885  -5.983  -7.929
  465   HG23  THR  78          3HG2      THR  78  10.817  -7.388  -8.125
  466    H    MET  79           H        MET  79   8.854  -5.150  -4.084
  467    HA   MET  79           HA       MET  79   9.762  -6.375  -1.544
  468    HB2  MET  79           2HB      MET  79   8.223  -3.740  -1.859
  469    HG2  MET  79           2HG      MET  79   9.857  -3.052  -0.020
  470    HE1  MET  79           3HE      MET  79  12.730  -1.155  -1.631
  471    HE2  MET  79           1HE      MET  79  11.610  -1.270  -0.260
  472    HE3  MET  79           2HE      MET  79  12.764  -2.588  -0.573
  473    H    ARG  80           H        ARG  80   7.940  -7.591  -0.586
  474    HA   ARG  80           HA       ARG  80   5.893  -8.170  -2.559
  475    HB2  ARG  80           2HB      ARG  80   6.958  -9.826  -0.905
  476    HG2  ARG  80           2HG      ARG  80   4.104 -10.378  -0.708
  477    HD2  ARG  80           2HD      ARG  80   4.827 -11.673  -2.960
  478    HE   ARG  80           HE       ARG  80   4.777 -12.316  -0.247
  479   HH11  ARG  80          1HH2      ARG  80   6.513 -13.556  -3.102
  480   HH12  ARG  80          2HH2      ARG  80   6.580 -15.181  -2.512
  481   HH21  ARG  80          1HH1      ARG  80   4.596 -14.381   0.355
  482   HH22  ARG  80          2HH1      ARG  80   5.488 -15.694  -0.406
  483    H    ILE  81           H        ILE  81   4.014  -7.111  -2.779
  484    HA   ILE  81           HA       ILE  81   2.854  -5.671  -0.425
  485    HB   ILE  81           HB       ILE  81   1.251  -4.804  -2.191
  486   HG12  ILE  81          2HG1      ILE  81   2.234  -6.184  -4.077
  487   HG21  ILE  81          1HG2      ILE  81   2.525  -3.347  -0.934
  488   HG22  ILE  81          2HG2      ILE  81   4.037  -3.737  -1.795
  489   HG23  ILE  81          3HG2      ILE  81   2.732  -2.819  -2.600
  490   HD11  ILE  81          3HD1      ILE  81   3.915  -5.068  -5.457
  491   HD12  ILE  81          1HD1      ILE  81   4.235  -3.868  -4.202
  492   HD13  ILE  81          2HD1      ILE  81   4.667  -5.555  -3.943
  493    H    THR  82           H        THR  82   1.405  -6.709   0.593
  494    HA   THR  82           HA       THR  82  -0.333  -8.769  -0.650
  495    HB   THR  82           HB       THR  82  -0.071  -7.516   2.112
  496    HG1  THR  82           HG1      THR  82   0.216  -9.700   2.608
  497   HG21  THR  82          1HG2      THR  82  -2.434  -7.564   2.002
  498   HG22  THR  82          2HG2      THR  82  -2.456  -8.992   0.986
  499   HG23  THR  82          3HG2      THR  82  -2.018  -9.123   2.709
  500    H    ASP  83           H        ASP  83  -1.194  -7.528  -2.438
  501    HA   ASP  83           HA       ASP  83  -2.572  -5.016  -1.804
  502    HB2  ASP  83           2HB      ASP  83  -1.649  -5.324  -4.052
  503    H    CYS  84           H        CYS  84  -4.519  -4.874  -0.910
  504    HA   CYS  84           HA       CYS  84  -5.994  -7.398  -0.375
  505    HB2  CYS  84           2HB      CYS  84  -4.830  -6.195   1.560
  506    H    ARG  85           H        ARG  85  -7.772  -7.494  -1.634
  507    HA   ARG  85           HA       ARG  85  -9.255  -4.979  -2.315
  508    HB2  ARG  85           2HB      ARG  85  -8.175  -6.554  -4.151
  509    HG2  ARG  85           2HG      ARG  85 -11.088  -5.693  -4.225
  510    HD2  ARG  85           2HD      ARG  85  -9.308  -6.280  -6.604
  511    HE   ARG  85           HE       ARG  85 -10.977  -4.918  -7.449
  512   HH11  ARG  85          1HH2      ARG  85 -12.476  -7.302  -5.243
  513   HH12  ARG  85          2HH2      ARG  85 -14.038  -6.658  -5.396
  514   HH21  ARG  85          1HH1      ARG  85 -13.121  -3.913  -7.420
  515   HH22  ARG  85          2HH1      ARG  85 -14.241  -4.550  -6.242
  516    H    GLU  86           H        GLU  86 -11.687  -5.285  -2.357
  517    HA   GLU  86           HA       GLU  86 -12.699  -7.358  -0.530
  518    HB2  GLU  86           2HB      GLU  86 -14.956  -6.594  -1.472
  519    HG2  GLU  86           2HG      GLU  86 -15.014  -4.156  -2.042
  520    H    THR  87           H        THR  87 -14.123  -9.075  -1.222
  521    HA   THR  87           HA       THR  87 -13.731 -10.078  -4.003
  522    HB   THR  87           HB       THR  87 -15.136 -11.967  -3.185
  523    HG1  THR  87           HG1      THR  87 -15.319 -11.983  -0.794
  524   HG21  THR  87          1HG2      THR  87 -12.621 -12.026  -2.962
  525   HG22  THR  87          2HG2      THR  87 -12.804 -11.429  -1.291
  526   HG23  THR  87          3HG2      THR  87 -13.465 -13.007  -1.750
  527    H    GLY  88           H        GLY  88 -15.560 -10.328  -5.390
  528    HA2  GLY  88           2HA      GLY  88 -17.740  -8.432  -5.222
  529    H    SER  89           H        SER  89 -18.073  -9.387  -2.988
  530    HA   SER  89           HA       SER  89 -20.360 -11.112  -2.640
  531    HB2  SER  89           2HB      SER  89 -17.730 -12.129  -1.480
  532    HG   SER  89           HG       SER  89 -18.063 -13.871  -3.051
  533    H    SER  90           H        SER  90 -17.493  -9.398  -1.395
  534    HA   SER  90           HA       SER  90 -17.853  -9.052   1.268
  535    HB2  SER  90           2HB      SER  90 -16.089  -8.146  -0.261
  536    HG   SER  90           HG       SER  90 -15.866  -6.246   1.089
  537    H    LYS  91           H        LYS  91 -19.509  -8.405   2.528
  538    HA   LYS  91           HA       LYS  91 -21.472  -6.352   1.622
  539    HB2  LYS  91           2HB      LYS  91 -21.882  -9.234   2.466
  540    HG2  LYS  91           2HG      LYS  91 -22.031  -8.569   0.039
  541    HD2  LYS  91           2HD      LYS  91 -23.063  -6.414   0.031
  542    HE2  LYS  91           2HE      LYS  91 -24.408  -6.354   2.052
  543    HZ1  LYS  91           3HZ      LYS  91 -26.436  -7.618   2.194
  544    HZ2  LYS  91           1HZ      LYS  91 -26.116  -8.397   0.779
  545    HZ3  LYS  91           2HZ      LYS  91 -25.148  -8.636   2.090
  546    H    TYR  92           H        TYR  92 -19.801  -5.231   3.055
  547    HA   TYR  92           HA       TYR  92 -19.423  -5.541   5.756
  548    HB2  TYR  92           2HB      TYR  92 -18.353  -3.746   4.719
  549    HD1  TYR  92           HD1      TYR  92 -17.863  -3.326   7.179
  550    HD2  TYR  92           HD2      TYR  92 -21.308  -1.641   5.215
  551    HE1  TYR  92           HE1      TYR  92 -18.248  -1.798   9.128
  552    HE2  TYR  92           HE2      TYR  92 -21.725  -0.199   7.177
  553    HH   TYR  92           HH       TYR  92 -20.522   0.741   9.044
  554    HA   PRO  93           HA       PRO  93 -19.757  -4.902   8.053
  555    HB2  PRO  93           2HB      PRO  93 -20.776  -6.402  10.050
  556    HG2  PRO  93           2HG      PRO  93 -22.819  -6.994   8.945
  557    HD2  PRO  93           2HD      PRO  93 -23.667  -5.670   7.190
  558    H    ASN  94           H        ASN  94 -21.431  -7.531   6.454
  559    HA   ASN  94           HA       ASN  94 -19.453  -9.605   7.226
  560    HB2  ASN  94           2HB      ASN  94 -21.928  -9.504   5.462
  561   HD21  ASN  94          2HD2      ASN  94 -21.744  -9.249   8.371
  562   HD22  ASN  94          1HD2      ASN  94 -22.441 -10.727   9.018
  563    H    CYS  95           H        CYS  95 -17.882  -7.729   6.582
  564    HA   CYS  95           HA       CYS  95 -17.490  -7.309   3.723
  565    HB2  CYS  95           2HB      CYS  95 -16.841  -5.639   5.433
  566    H    ALA  96           H        ALA  96 -15.996  -8.359   2.366
  567    HA   ALA  96           HA       ALA  96 -14.535 -10.723   3.508
  568    HB1  ALA  96           3HB      ALA  96 -15.214 -12.010   1.542
  569    HB2  ALA  96           1HB      ALA  96 -16.613 -11.517   2.519
  570    HB3  ALA  96           2HB      ALA  96 -16.246 -10.667   1.006
  571    H    TYR  97           H        TYR  97 -12.469 -10.164   3.311
  572    HA   TYR  97           HA       TYR  97 -11.543  -8.532   1.051
  573    HB2  TYR  97           2HB      TYR  97 -10.304  -9.460   3.649
  574    HD1  TYR  97           HD1      TYR  97  -9.999  -6.480   1.411
  575    HD2  TYR  97           HD2      TYR  97 -11.355  -7.949   5.227
  576    HE1  TYR  97           HE1      TYR  97 -10.188  -4.177   2.216
  577    HE2  TYR  97           HE2      TYR  97 -11.611  -5.633   6.027
  578    HH   TYR  97           HH       TYR  97 -11.314  -3.444   5.554
  579    H    LYS  98           H        LYS  98  -9.539  -9.066  -0.001
  580    HA   LYS  98           HA       LYS  98  -9.006 -11.933  -0.534
  581    HB2  LYS  98           2HB      LYS  98 -10.799 -10.656  -1.994
  582    HG2  LYS  98           2HG      LYS  98 -10.031 -12.858  -2.608
  583    HD2  LYS  98           2HD      LYS  98  -7.589 -12.567  -2.759
  584    HE2  LYS  98           2HE      LYS  98  -8.204 -10.941  -5.299
  585    HZ1  LYS  98           3HZ      LYS  98  -5.726 -10.619  -5.069
  586    HZ2  LYS  98           1HZ      LYS  98  -5.708 -11.894  -4.073
  587    HZ3  LYS  98           2HZ      LYS  98  -6.197 -12.111  -5.642
  588    H    THR  99           H        THR  99  -6.907 -12.054   0.026
  589    HA   THR  99           HA       THR  99  -5.015  -9.887  -0.200
  590    HB   THR  99           HB       THR  99  -4.586 -12.868   0.217
  591    HG1  THR  99           HG1      THR  99  -5.964 -11.958   1.775
  592   HG21  THR  99          1HG2      THR  99  -2.423 -12.524   0.580
  593   HG22  THR  99          2HG2      THR  99  -2.560 -10.922  -0.105
  594   HG23  THR  99          3HG2      THR  99  -2.723 -11.137   1.634
  595    H    THR 100           H        THR 100  -3.508  -9.481  -1.821
  596    HA   THR 100           HA       THR 100  -2.888 -11.636  -3.783
  597    HB   THR 100           HB       THR 100  -2.798  -8.761  -4.679
  598    HG1  THR 100           HG1      THR 100  -4.747  -8.732  -3.741
  599   HG21  THR 100          1HG2      THR 100  -2.089 -10.584  -6.161
  600   HG22  THR 100          2HG2      THR 100  -3.676 -11.357  -6.015
  601   HG23  THR 100          3HG2      THR 100  -3.527  -9.762  -6.787
  602    H    GLN 101           H        GLN 101  -1.009 -12.200  -2.517
  603    HA   GLN 101           HA       GLN 101   1.070 -10.238  -1.904
  604    HB2  GLN 101           2HB      GLN 101   0.995 -13.278  -2.026
  605    HG2  GLN 101           2HG      GLN 101   1.622 -11.248   0.174
  606   HE21  GLN 101          2HE2      GLN 101   0.537 -14.435   1.063
  607   HE22  GLN 101          1HE2      GLN 101   2.077 -14.988   1.658
  608    H    VAL 102           H        VAL 102   2.034  -9.123  -3.609
  609    HA   VAL 102           HA       VAL 102   3.278 -10.847  -5.690
  610    HB   VAL 102           HB       VAL 102   2.900  -9.193  -7.440
  611   HG11  VAL 102          1HG1      VAL 102   1.373 -11.126  -7.228
  612   HG12  VAL 102          2HG1      VAL 102   0.264 -10.125  -6.261
  613   HG13  VAL 102          3HG1      VAL 102   0.593  -9.710  -7.954
  614   HG21  VAL 102          3HG2      VAL 102   1.150  -7.451  -7.205
  615   HG22  VAL 102          1HG2      VAL 102   1.058  -7.785  -5.465
  616   HG23  VAL 102          2HG2      VAL 102   2.556  -7.141  -6.188
  617    H    GLU 103           H        GLU 103   5.349 -10.342  -6.139
  618    HA   GLU 103           HA       GLU 103   6.632  -8.189  -4.570
  619    HB2  GLU 103           2HB      GLU 103   8.735  -9.424  -5.225
  620    HG2  GLU 103           2HG      GLU 103   7.604 -10.922  -7.006
  621    H    LYS 104           H        LYS 104   6.636  -6.302  -5.553
  622    HA   LYS 104           HA       LYS 104   7.688  -6.037  -8.320
  623    HB2  LYS 104           2HB      LYS 104   4.959  -5.301  -7.346
  624    HG2  LYS 104           2HG      LYS 104   4.475  -5.315  -9.743
  625    HD2  LYS 104           2HD      LYS 104   5.852  -7.969  -9.331
  626    HE2  LYS 104           2HE      LYS 104   3.511  -8.752  -9.821
  627    HZ1  LYS 104           3HZ      LYS 104   3.418  -7.951 -12.077
  628    HZ2  LYS 104           1HZ      LYS 104   4.504  -6.758 -11.754
  629    HZ3  LYS 104           2HZ      LYS 104   4.966  -8.336 -11.680
  630    H    HIS 105           H        HIS 105   8.078  -3.511  -8.595
  631    HA   HIS 105           HA       HIS 105   9.503  -2.582  -6.183
  632    HB2  HIS 105           2HB      HIS 105   8.708  -0.839  -8.513
  633    HD1  HIS 105           HD1      HIS 105   9.139  -2.537 -10.495
  634    HD2  HIS 105           HD2      HIS 105  12.353  -1.916  -7.841
  635    HE1  HIS 105           HE1      HIS 105  11.273  -3.436 -11.684
  636    HE2  HIS 105           HE2      HIS 105  13.214  -3.037 -10.020
  637    H    ILE 106           H        ILE 106   8.609  -1.072  -4.744
  638    HA   ILE 106           HA       ILE 106   5.667  -0.600  -4.961
  639    HB   ILE 106           HB       ILE 106   5.935   0.305  -2.646
  640   HG12  ILE 106          2HG1      ILE 106   8.724  -0.887  -2.794
  641   HG21  ILE 106          1HG2      ILE 106   5.043  -1.910  -3.185
  642   HG22  ILE 106          2HG2      ILE 106   6.672  -2.610  -3.175
  643   HG23  ILE 106          3HG2      ILE 106   5.946  -1.992  -1.677
  644   HD11  ILE 106          3HD1      ILE 106   8.892  -0.074  -0.454
  645   HD12  ILE 106          1HD1      ILE 106   7.120   0.129  -0.436
  646   HD13  ILE 106          2HD1      ILE 106   7.849  -1.487  -0.631
  647    H    ILE 107           H        ILE 107   4.911   1.370  -5.424
  648    HA   ILE 107           HA       ILE 107   6.819   3.542  -6.024
  649    HB   ILE 107           HB       ILE 107   3.961   3.320  -6.974
  650   HG12  ILE 107          2HG1      ILE 107   5.300   1.343  -7.848
  651   HG21  ILE 107          1HG2      ILE 107   4.909   5.532  -7.019
  652   HG22  ILE 107          2HG2      ILE 107   6.317   4.980  -7.929
  653   HG23  ILE 107          3HG2      ILE 107   4.698   4.941  -8.673
  654   HD11  ILE 107          3HD1      ILE 107   6.745   1.644  -9.703
  655   HD12  ILE 107          1HD1      ILE 107   6.634   3.409  -9.599
  656   HD13  ILE 107          2HD1      ILE 107   7.396   2.480  -8.283
  657    H    VAL 108           H        VAL 108   6.835   5.020  -4.305
  658    HA   VAL 108           HA       VAL 108   4.306   5.299  -2.743
  659    HB   VAL 108           HB       VAL 108   5.192   5.067  -0.705
  660   HG11  VAL 108          1HG1      VAL 108   5.321   2.897  -1.904
  661   HG12  VAL 108          2HG1      VAL 108   7.043   3.201  -2.232
  662   HG13  VAL 108          3HG1      VAL 108   6.472   3.030  -0.563
  663   HG21  VAL 108          3HG2      VAL 108   7.598   5.142  -0.085
  664   HG22  VAL 108          1HG2      VAL 108   7.969   5.673  -1.739
  665   HG23  VAL 108          2HG2      VAL 108   6.952   6.673  -0.684
  666    H    ALA 109           H        ALA 109   3.936   7.226  -1.716
  667    HA   ALA 109           HA       ALA 109   4.665   9.530  -3.349
  668    HB1  ALA 109           3HB      ALA 109   2.844  10.595  -2.197
  669    HB2  ALA 109           1HB      ALA 109   2.322   8.943  -2.624
  670    HB3  ALA 109           2HB      ALA 109   2.853   9.331  -0.966
  671    H    CYS 110           H        CYS 110   6.176  11.019  -2.706
  672    HA   CYS 110           HA       CYS 110   7.456  10.706  -0.038
  673    HB2  CYS 110           2HB      CYS 110   8.701  10.181  -2.164
  674    H    GLY 111           H        GLY 111   7.826  12.504   1.276
  675    HA2  GLY 111           2HA      GLY 111   7.681  15.211   0.390
  676    H    GLY 112           H        GLY 112   6.317  16.142   2.817
  677    HA2  GLY 112           2HA      GLY 112   6.699  16.637   5.007
  678    H    LYS 113           H        LYS 113   8.719  17.544   3.381
  679    HA   LYS 113           HA       LYS 113  11.149  17.138   3.227
  680    HB2  LYS 113           2HB      LYS 113  11.815  19.420   3.486
  681    HG2  LYS 113           2HG      LYS 113   9.118  19.785   4.852
  682    HD2  LYS 113           2HD      LYS 113  11.064  21.769   3.580
  683    HE2  LYS 113           2HE      LYS 113  10.504  22.654   5.781
  684    HZ1  LYS 113           3HZ      LYS 113   8.225  23.167   6.297
  685    HZ2  LYS 113           1HZ      LYS 113   7.685  22.390   4.954
  686    HZ3  LYS 113           2HZ      LYS 113   8.418  21.542   6.164
  687    HA   PRO 114           HA       PRO 114  13.428  16.834   3.383
  688    HB2  PRO 114           2HB      PRO 114  14.983  14.687   4.072
  689    HG2  PRO 114           2HG      PRO 114  13.824  14.218   6.140
  690    HD2  PRO 114           2HD      PRO 114  12.685  15.925   7.303
  691    H    SER 115           H        SER 115  13.859  14.467   2.147
  692    HA   SER 115           HA       SER 115  11.273  13.653   1.340
  693    HB2  SER 115           2HB      SER 115  12.913  11.820   0.282
  694    HG   SER 115           HG       SER 115  15.018  12.435   0.346
  695    H    VAL 116           H        VAL 116  10.052  12.829   3.091
  696    HA   VAL 116           HA       VAL 116  10.834  10.039   3.827
  697    HB   VAL 116           HB       VAL 116   9.697  10.249   5.917
  698   HG11  VAL 116          1HG1      VAL 116  12.097  10.980   5.719
  699   HG12  VAL 116          2HG1      VAL 116  11.543  12.658   5.581
  700   HG13  VAL 116          3HG1      VAL 116  11.227  11.751   7.065
  701   HG21  VAL 116          3HG2      VAL 116   8.794  12.371   6.768
  702   HG22  VAL 116          1HG2      VAL 116   9.101  13.146   5.206
  703   HG23  VAL 116          2HG2      VAL 116   7.899  11.845   5.337
  704    HA   PRO 117           HA       PRO 117   7.244   9.177   1.517
  705    HB2  PRO 117           2HB      PRO 117   6.637   6.625   2.147
  706    HG2  PRO 117           2HG      PRO 117   7.870   6.530   4.306
  707    HD2  PRO 117           2HD      PRO 117   9.544   8.100   4.733
  708    H    VAL 118           H        VAL 118   5.094   9.625   1.636
  709    HA   VAL 118           HA       VAL 118   3.780   9.710   4.334
  710    HB   VAL 118           HB       VAL 118   2.759  11.824   3.727
  711   HG11  VAL 118          1HG1      VAL 118   4.868  11.782   5.019
  712   HG12  VAL 118          2HG1      VAL 118   5.790  11.969   3.513
  713   HG13  VAL 118          3HG1      VAL 118   4.692  13.252   4.046
  714   HG21  VAL 118          3HG2      VAL 118   3.578  13.145   1.808
  715   HG22  VAL 118          1HG2      VAL 118   4.604  11.802   1.280
  716   HG23  VAL 118          2HG2      VAL 118   2.835  11.645   1.234
  717    H    HIS 119           H        HIS 119   3.454   8.553   1.099
  718    HA   HIS 119           HA       HIS 119   0.884   7.478   1.862
  719    HB2  HIS 119           2HB      HIS 119   0.462   9.776   0.631
  720    HD1  HIS 119           HD1      HIS 119  -1.062   7.124  -1.638
  721    HD2  HIS 119           HD2      HIS 119  -1.783   9.142   2.016
  722    HE1  HIS 119           HE1      HIS 119  -3.554   6.841  -1.126
  723    HE2  HIS 119           HE2      HIS 119  -3.990   8.057   1.102
  724    H    PHE 120           H        PHE 120   0.258   5.801   0.179
  725    HA   PHE 120           HA       PHE 120   2.630   4.667  -1.254
  726    HB2  PHE 120           2HB      PHE 120   1.759   3.042   0.206
  727    HD1  PHE 120           HD1      PHE 120   3.134   1.789  -1.464
  728    HD2  PHE 120           HD2      PHE 120  -1.059   2.614  -2.119
  729    HE1  PHE 120           HE1      PHE 120   3.070   0.105  -3.281
  730    HE2  PHE 120           HE2      PHE 120  -1.100   0.930  -3.928
  731    HZ   PHE 120           HZ       PHE 120   0.961  -0.320  -4.508
  732    H    ASP 121           H        ASP 121   2.414   4.403  -3.547
  733    HA   ASP 121           HA       ASP 121   0.185   5.999  -4.734
  734    HB2  ASP 121           2HB      ASP 121   2.556   6.832  -4.920
  735    H    ALA 122           H        ALA 122   2.361   3.222  -5.544
  736    HA   ALA 122           HA       ALA 122   0.233   1.519  -6.495
  737    HB1  ALA 122           3HB      ALA 122   0.838   1.613  -8.910
  738    HB2  ALA 122           1HB      ALA 122   0.238   3.180  -8.360
  739    HB3  ALA 122           2HB      ALA 122   1.979   2.932  -8.575
  740    H    SER 123           H        SER 123   1.640  -0.256  -8.096
  741    HA   SER 123           HA       SER 123   4.388  -0.442  -7.100
  742    HB2  SER 123           2HB      SER 123   2.558  -2.830  -6.833
  743    HG   SER 123           HG       SER 123   2.749  -2.473  -4.619
  744    H    VAL 124           H        VAL 124   5.735  -1.177  -8.666
  745    HA   VAL 124           HA       VAL 124   5.200  -3.262 -10.326
  746    HB   VAL 124           HB       VAL 124   4.080  -0.965 -11.544
  747   HG11  VAL 124          1HG1      VAL 124   6.234  -0.283 -12.464
  748   HG12  VAL 124          2HG1      VAL 124   6.505  -1.923 -13.111
  749   HG13  VAL 124          3HG1      VAL 124   5.181  -0.919 -13.729
  750   HG21  VAL 124          3HG2      VAL 124   3.490  -2.635 -13.268
  751   HG22  VAL 124          1HG2      VAL 124   4.715  -3.749 -12.624
  752   HG23  VAL 124          2HG2      VAL 124   3.298  -3.322 -11.652
  Start of MODEL    3
    1    HA   LYS   1           HA       LYS   1   0.232  10.846  18.353
    2    HB2  LYS   1           2HB      LYS   1   0.390  12.943  17.206
    3    HG2  LYS   1           2HG      LYS   1   2.755  13.708  18.986
    4    HD2  LYS   1           2HD      LYS   1   1.132  15.144  16.839
    5    HE2  LYS   1           2HE      LYS   1   3.503  15.561  16.385
    6    HZ1  LYS   1           2HZ      LYS   1   4.428  15.332  18.586
    7    HZ2  LYS   1           3HZ      LYS   1   4.768  16.819  17.987
    8    HZ3  LYS   1           1HZ      LYS   1   3.600  16.653  19.128
    9    H    GLU   2           H        GLU   2   0.634  10.614  16.013
   10    HA   GLU   2           HA       GLU   2   3.142   9.333  15.325
   11    HB2  GLU   2           2HB      GLU   2   2.049   9.069  13.158
   12    HG2  GLU   2           2HG      GLU   2   0.751  11.443  13.408
   13    H    SER   3           H        SER   3   4.049  10.063  13.110
   14    HA   SER   3           HA       SER   3   4.181  13.039  12.804
   15    HB2  SER   3           2HB      SER   3   6.382  11.069  12.179
   16    HG   SER   3           HG       SER   3   7.382  12.071  14.013
   17    H    ALA   4           H        ALA   4   2.175  11.368  11.756
   18    HA   ALA   4           HA       ALA   4   1.045  10.799   9.903
   19    HB1  ALA   4           3HB      ALA   4   1.477  11.929   7.794
   20    HB2  ALA   4           1HB      ALA   4   1.562  13.076   9.143
   21    HB3  ALA   4           2HB      ALA   4   3.052  12.507   8.362
   22    H    ALA   5           H        ALA   5   4.443  10.749   8.734
   23    HA   ALA   5           HA       ALA   5   4.296   8.556   7.034
   24    HB1  ALA   5           3HB      ALA   5   6.730   8.312   7.438
   25    HB2  ALA   5           1HB      ALA   5   6.247  10.002   7.195
   26    HB3  ALA   5           2HB      ALA   5   6.608   9.410   8.831
   27    H    ALA   6           H        ALA   6   5.171   8.536  10.494
   28    HA   ALA   6           HA       ALA   6   5.521   5.800  10.850
   29    HB1  ALA   6           3HB      ALA   6   5.155   6.235  13.239
   30    HB2  ALA   6           1HB      ALA   6   6.148   7.508  12.503
   31    HB3  ALA   6           2HB      ALA   6   4.429   7.811  12.859
   32    H    LYS   7           H        LYS   7   2.457   7.525  10.539
   33    HA   LYS   7           HA       LYS   7   0.840   5.316  11.667
   34    HB2  LYS   7           2HB      LYS   7   0.198   7.614  12.126
   35    HG2  LYS   7           2HG      LYS   7  -1.672   6.369  10.069
   36    HD2  LYS   7           2HD      LYS   7  -1.657   8.971  11.420
   37    HE2  LYS   7           2HE      LYS   7  -4.259   7.371  11.539
   38    HZ1  LYS   7           3HZ      LYS   7  -4.885   9.241  12.950
   39    HZ2  LYS   7           1HZ      LYS   7  -3.386   9.886  12.798
   40    HZ3  LYS   7           2HZ      LYS   7  -4.382   9.829  11.487
   41    H    PHE   8           H        PHE   8   1.260   7.102   8.631
   42    HA   PHE   8           HA       PHE   8  -0.195   5.610   6.773
   43    HB2  PHE   8           2HB      PHE   8   0.707   7.508   5.865
   44    HD1  PHE   8           HD1      PHE   8   0.356   5.487   4.087
   45    HD2  PHE   8           HD2      PHE   8   4.166   6.578   5.760
   46    HE1  PHE   8           HE1      PHE   8   1.488   4.187   2.368
   47    HE2  PHE   8           HE2      PHE   8   5.315   5.405   3.947
   48    HZ   PHE   8           HZ       PHE   8   4.036   4.401   2.101
   49    H    GLU   9           H        GLU   9   3.135   5.034   7.911
   50    HA   GLU   9           HA       GLU   9   3.857   2.712   6.606
   51    HB2  GLU   9           2HB      GLU   9   4.361   3.723   9.402
   52    HG2  GLU   9           2HG      GLU   9   6.247   2.865   7.195
   53    H    ARG  10           H        ARG  10   2.350   2.723   9.892
   54    HA   ARG  10           HA       ARG  10   2.086  -0.070   9.840
   55    HB2  ARG  10           2HB      ARG  10   0.321   1.793  11.478
   56    HG2  ARG  10           2HG      ARG  10   2.575   2.503  11.877
   57    HD2  ARG  10           2HD      ARG  10   3.330  -0.137  13.126
   58    HE   ARG  10           HE       ARG  10   4.595   1.965  13.601
   59   HH11  ARG  10          1HH2      ARG  10   5.586   0.095  10.707
   60   HH12  ARG  10          2HH2      ARG  10   6.633   1.423  10.176
   61   HH21  ARG  10          1HH1      ARG  10   6.148   3.580  12.791
   62   HH22  ARG  10          2HH1      ARG  10   6.971   3.172  11.281
   63    H    GLN  11           H        GLN  11  -0.131   2.446   8.717
   64    HA   GLN  11           HA       GLN  11  -2.345   0.550   8.324
   65    HB2  GLN  11           2HB      GLN  11  -2.044   3.444   7.439
   66    HG2  GLN  11           2HG      GLN  11  -3.278   2.120   9.895
   67   HE21  GLN  11          2HE2      GLN  11  -5.487   2.710   9.619
   68   HE22  GLN  11          1HE2      GLN  11  -5.976   4.393   9.665
   69    H    HIS  12           H        HIS  12   0.483   0.541   6.677
   70    HA   HIS  12           HA       HIS  12  -0.957  -0.524   4.330
   71    HB2  HIS  12           2HB      HIS  12  -0.083   0.805   2.732
   72    HD1  HIS  12           HD1      HIS  12   2.241   2.549   5.216
   73    HD2  HIS  12           HD2      HIS  12   2.300   0.125   1.777
   74    HE1  HIS  12           HE1      HIS  12   4.725   2.418   4.441
   75    HE2  HIS  12           HE2      HIS  12   4.736   0.928   2.348
   76    H    MET  13           H        MET  13   2.216  -0.194   5.975
   77    HA   MET  13           HA       MET  13   3.071  -2.681   4.707
   78    HB2  MET  13           2HB      MET  13   5.182  -2.375   5.740
   79    HG2  MET  13           2HG      MET  13   4.679   0.474   6.435
   80    HE1  MET  13           3HE      MET  13   8.498  -0.380   5.932
   81    HE2  MET  13           1HE      MET  13   7.115  -0.982   5.043
   82    HE3  MET  13           2HE      MET  13   7.198   0.740   5.522
   83    H    ASP  14           H        ASP  14   1.729  -4.310   5.566
   84    HA   ASP  14           HA       ASP  14   1.437  -4.671   8.458
   85    HB2  ASP  14           2HB      ASP  14  -0.006  -6.514   7.765
   86    H    SER  15           H        SER  15   4.116  -4.663   7.948
   87    HA   SER  15           HA       SER  15   5.150  -7.003   6.778
   88    HB2  SER  15           2HB      SER  15   6.576  -5.057   8.610
   89    HG   SER  15           HG       SER  15   7.052  -4.053   6.635
   90    H    GLY  16           H        GLY  16   3.592  -8.310   8.524
   91    HA2  GLY  16           2HA      GLY  16   5.373  -9.513  10.590
   92    H    ASN  17           H        ASN  17   4.942 -12.052  10.444
   93    HA   ASN  17           HA       ASN  17   5.337 -13.063   7.660
   94    HB2  ASN  17           2HB      ASN  17   7.516 -13.060   8.748
   95   HD21  ASN  17          2HD2      ASN  17   8.314 -15.604  10.032
   96   HD22  ASN  17          1HD2      ASN  17   8.027 -16.845   8.827
   97    H    SER  18           H        SER  18   3.425 -14.127   7.305
   98    HA   SER  18           HA       SER  18   2.551 -16.133   9.262
   99    HB2  SER  18           2HB      SER  18   0.626 -14.172   7.933
  100    HG   SER  18           HG       SER  18   0.357 -13.454  10.139
  101    HA   PRO  19           HA       PRO  19   2.533 -18.391   5.482
  102    HB2  PRO  19           2HB      PRO  19   0.784 -20.465   5.973
  103    HG2  PRO  19           2HG      PRO  19  -0.353 -19.372   7.796
  104    HD2  PRO  19           2HD      PRO  19   0.728 -17.732   9.095
  105    H    SER  20           H        SER  20   0.781 -19.580   3.916
  106    HA   SER  20           HA       SER  20  -0.523 -17.466   2.620
  107    HB2  SER  20           2HB      SER  20  -1.478 -19.723   1.428
  108    HG   SER  20           HG       SER  20   0.156 -21.324   1.737
  109    H    SER  21           H        SER  21  -2.670 -17.251   2.097
  110    HA   SER  21           HA       SER  21  -5.023 -18.325   2.932
  111    HB2  SER  21           2HB      SER  21  -4.660 -18.115   5.263
  112    HG   SER  21           HG       SER  21  -6.196 -16.647   5.821
  113    H    SER  22           H        SER  22  -3.165 -15.308   3.008
  114    HA   SER  22           HA       SER  22  -3.342 -13.352   1.931
  115    HB2  SER  22           2HB      SER  22  -5.595 -14.508   0.255
  116    HG   SER  22           HG       SER  22  -3.759 -14.118  -1.257
  117    H    SER  23           H        SER  23  -6.617 -14.670   2.589
  118    HA   SER  23           HA       SER  23  -7.967 -12.341   3.344
  119    HB2  SER  23           2HB      SER  23  -8.980 -14.371   4.963
  120    HG   SER  23           HG       SER  23  -7.491 -15.889   4.064
  121    H    ASN  24           H        ASN  24  -5.920 -14.538   5.327
  122    HA   ASN  24           HA       ASN  24  -6.452 -13.357   7.786
  123    HB2  ASN  24           2HB      ASN  24  -3.935 -14.702   6.779
  124   HD21  ASN  24          2HD2      ASN  24  -3.882 -16.113   9.461
  125   HD22  ASN  24          1HD2      ASN  24  -5.191 -17.272   9.365
  126    H    TYR  25           H        TYR  25  -3.627 -12.448   5.733
  127    HA   TYR  25           HA       TYR  25  -2.695 -10.453   7.444
  128    HB2  TYR  25           2HB      TYR  25  -2.657 -10.059   4.441
  129    HD1  TYR  25           HD2      TYR  25   0.006 -11.407   6.728
  130    HD2  TYR  25           HD1      TYR  25  -2.343 -11.910   3.184
  131    HE1  TYR  25           HE2      TYR  25   1.522 -13.223   5.974
  132    HE2  TYR  25           HE1      TYR  25  -0.910 -13.831   2.484
  133    HH   TYR  25           HH       TYR  25   1.690 -15.091   4.509
  134    H    CYS  26           H        CYS  26  -5.106 -10.270   4.870
  135    HA   CYS  26           HA       CYS  26  -5.481  -7.452   4.649
  136    HB2  CYS  26           2HB      CYS  26  -7.206  -9.851   4.103
  137    H    ASN  27           H        ASN  27  -7.467  -9.853   6.372
  138    HA   ASN  27           HA       ASN  27  -9.113  -7.901   7.677
  139    HB2  ASN  27           2HB      ASN  27  -8.603 -10.841   8.286
  140   HD21  ASN  27          2HD2      ASN  27  -9.061 -11.231   5.930
  141   HD22  ASN  27          1HD2      ASN  27 -10.697 -11.006   5.320
  142    H    LEU  28           H        LEU  28  -6.205  -9.714   8.722
  143    HA   LEU  28           HA       LEU  28  -6.211  -8.984  11.387
  144    HB2  LEU  28           2HB      LEU  28  -4.704 -10.636  10.265
  145    HG   LEU  28           HG       LEU  28  -2.764 -10.464  11.535
  146   HD11  LEU  28          1HD1      LEU  28  -2.198  -8.067  11.024
  147   HD12  LEU  28          2HD1      LEU  28  -3.311  -7.587  12.329
  148   HD13  LEU  28          3HD1      LEU  28  -1.906  -8.589  12.692
  149   HD21  LEU  28          3HD2      LEU  28  -3.591 -10.241  13.784
  150   HD22  LEU  28          1HD2      LEU  28  -4.943  -9.224  13.261
  151   HD23  LEU  28          2HD2      LEU  28  -4.876 -10.936  12.777
  152    H    MET  29           H        MET  29  -4.459  -7.307   8.687
  153    HA   MET  29           HA       MET  29  -3.552  -5.191  10.356
  154    HB2  MET  29           2HB      MET  29  -2.705  -5.782   8.009
  155    HG2  MET  29           2HG      MET  29  -3.117  -3.002   9.105
  156    HE1  MET  29           3HE      MET  29  -3.951  -1.424   5.717
  157    HE2  MET  29           1HE      MET  29  -4.706  -2.780   6.582
  158    HE3  MET  29           2HE      MET  29  -4.194  -1.335   7.477
  159    H    MET  30           H        MET  30  -6.451  -5.287   8.116
  160    HA   MET  30           HA       MET  30  -7.176  -2.597   8.749
  161    HB2  MET  30           2HB      MET  30  -8.785  -4.920   7.634
  162    HG2  MET  30           2HG      MET  30  -9.070  -2.608   6.095
  163    HE1  MET  30           3HE      MET  30  -7.354  -3.647   2.848
  164    HE2  MET  30           1HE      MET  30  -8.561  -2.598   3.620
  165    HE3  MET  30           2HE      MET  30  -6.852  -2.387   4.020
  166    H    CYS  31           H        CYS  31  -8.081  -5.657  10.370
  167    HA   CYS  31           HA       CYS  31  -9.898  -4.494  12.252
  168    HB2  CYS  31           2HB      CYS  31  -9.777  -6.920  11.915
  169    HG   CYS  31           HG       CYS  31  -9.631  -7.859  14.368
  170    H    CYS  32           H        CYS  32  -6.425  -5.352  12.563
  171    HA   CYS  32           HA       CYS  32  -5.891  -4.345  15.105
  172    HB2  CYS  32           2HB      CYS  32  -4.271  -5.686  13.882
  173    HG   CYS  32           HG       CYS  32  -1.989  -4.339  13.980
  174    H    ARG  33           H        ARG  33  -5.911  -2.598  11.998
  175    HA   ARG  33           HA       ARG  33  -5.277  -0.017  13.334
  176    HB2  ARG  33           2HB      ARG  33  -5.586  -0.720  10.409
  177    HG2  ARG  33           2HG      ARG  33  -3.635  -1.947  11.317
  178    HD2  ARG  33           2HD      ARG  33  -1.614  -0.572  11.892
  179    HE   ARG  33           HE       ARG  33  -3.274  -1.705  13.622
  180   HH11  ARG  33          1HH2      ARG  33  -1.333   1.186  13.870
  181   HH12  ARG  33          2HH2      ARG  33  -1.636   1.449  15.564
  182   HH21  ARG  33          1HH1      ARG  33  -4.038  -1.179  15.724
  183   HH22  ARG  33          2HH1      ARG  33  -3.104  -0.085  16.712
  184    H    LYS  34           H        LYS  34  -8.014  -1.694  13.112
  185    HA   LYS  34           HA       LYS  34 -10.146  -1.170  13.462
  186    HB2  LYS  34           2HB      LYS  34  -8.616   0.342  15.040
  187    HG2  LYS  34           2HG      LYS  34 -10.833  -0.629  15.647
  188    HD2  LYS  34           2HD      LYS  34 -11.754   2.176  14.835
  189    HE2  LYS  34           2HE      LYS  34 -13.086  -0.006  16.538
  190    HZ1  LYS  34           3HZ      LYS  34 -14.829   1.722  16.765
  191    HZ2  LYS  34           1HZ      LYS  34 -14.249   2.449  15.409
  192    HZ3  LYS  34           2HZ      LYS  34 -14.846   0.900  15.372
  193    H    MET  35           H        MET  35  -9.445  -0.962  10.748
  194    HA   MET  35           HA       MET  35 -10.412   1.631   9.795
  195    HB2  MET  35           2HB      MET  35  -9.328  -0.698   8.164
  196    HG2  MET  35           2HG      MET  35  -8.051   1.610   9.660
  197    HE1  MET  35           3HE      MET  35  -6.722   3.213   6.450
  198    HE2  MET  35           1HE      MET  35  -8.380   2.625   6.718
  199    HE3  MET  35           2HE      MET  35  -7.509   3.452   8.022
  200    H    THR  36           H        THR  36 -11.512  -1.776   9.299
  201    HA   THR  36           HA       THR  36 -13.420  -1.396   7.318
  202    HB   THR  36           HB       THR  36 -14.658  -3.287   8.550
  203    HG1  THR  36           HG1      THR  36 -13.346  -4.176  10.270
  204   HG21  THR  36          1HG2      THR  36 -13.017  -3.705   6.777
  205   HG22  THR  36          2HG2      THR  36 -11.698  -3.647   7.966
  206   HG23  THR  36          3HG2      THR  36 -12.909  -4.940   8.047
  207    H    GLN  37           H        GLN  37 -13.906  -1.310  10.748
  208    HA   GLN  37           HA       GLN  37 -16.393  -0.382  11.344
  209    HB2  GLN  37           2HB      GLN  37 -13.672   0.532  12.300
  210    HG2  GLN  37           2HG      GLN  37 -14.648  -1.962  12.605
  211   HE21  GLN  37          2HE2      GLN  37 -16.740  -2.699  13.148
  212   HE22  GLN  37          1HE2      GLN  37 -17.612  -2.156  14.567
  213    H    GLY  38           H        GLY  38 -13.730   1.725  10.137
  214    HA2  GLY  38           2HA      GLY  38 -15.368   4.160  10.189
  215    H    LYS  39           H        LYS  39 -13.985   1.867   7.797
  216    HA   LYS  39           HA       LYS  39 -16.235   1.750   6.261
  217    HB2  LYS  39           2HB      LYS  39 -15.325   2.784   4.053
  218    HG2  LYS  39           2HG      LYS  39 -13.788   4.453   6.116
  219    HD2  LYS  39           2HD      LYS  39 -13.398   6.081   4.394
  220    HE2  LYS  39           2HE      LYS  39 -15.484   7.199   4.158
  221    HZ1  LYS  39           3HZ      LYS  39 -16.608   6.894   6.240
  222    HZ2  LYS  39           1HZ      LYS  39 -15.889   5.454   6.523
  223    HZ3  LYS  39           2HZ      LYS  39 -14.988   6.831   6.506
  224    H    CYS  40           H        CYS  40 -16.107   0.224   4.645
  225    HA   CYS  40           HA       CYS  40 -13.899  -1.700   4.920
  226    HB2  CYS  40           2HB      CYS  40 -16.131  -2.573   4.939
  227    H    LYS  41           H        LYS  41 -12.146  -1.652   3.501
  228    HA   LYS  41           HA       LYS  41 -12.226   0.315   1.347
  229    HB2  LYS  41           2HB      LYS  41 -10.099  -1.489   2.456
  230    HG2  LYS  41           2HG      LYS  41 -10.557   1.515   2.277
  231    HD2  LYS  41           2HD      LYS  41  -8.013   0.020   3.008
  232    HE2  LYS  41           2HE      LYS  41  -8.731   2.991   3.065
  233    HZ1  LYS  41           3HZ      LYS  41  -6.360   3.239   3.651
  234    HZ2  LYS  41           1HZ      LYS  41  -6.102   1.672   3.187
  235    HZ3  LYS  41           2HZ      LYS  41  -6.595   2.771   2.088
  236    HA   PRO  42           HA       PRO  42 -13.131  -2.963  -1.669
  237    HB2  PRO  42           2HB      PRO  42 -13.000  -1.505  -3.963
  238    HG2  PRO  42           2HG      PRO  42 -11.993   0.477  -3.062
  239    HD2  PRO  42           2HD      PRO  42 -11.975   0.868  -0.790
  240    H    VAL  43           H        VAL  43 -10.331  -0.714  -1.748
  241    HA   VAL  43           HA       VAL  43  -8.616  -2.957  -2.587
  242    HB   VAL  43           HB       VAL  43  -7.444  -1.491  -4.183
  243   HG11  VAL  43          1HG1      VAL  43  -9.240  -2.969  -5.017
  244   HG12  VAL  43          2HG1      VAL  43 -10.404  -1.635  -4.892
  245   HG13  VAL  43          3HG1      VAL  43  -9.034  -1.524  -6.013
  246   HG21  VAL  43          3HG2      VAL  43  -8.446   0.614  -4.995
  247   HG22  VAL  43          1HG2      VAL  43  -9.687   0.528  -3.734
  248   HG23  VAL  43          2HG2      VAL  43  -7.979   0.748  -3.300
  249    H    ASN  44           H        ASN  44  -6.534  -2.878  -1.734
  250    HA   ASN  44           HA       ASN  44  -5.338  -0.428  -0.793
  251    HB2  ASN  44           2HB      ASN  44  -6.921  -1.042   1.118
  252   HD21  ASN  44          2HD2      ASN  44  -3.268  -1.676   1.323
  253   HD22  ASN  44          1HD2      ASN  44  -3.079  -0.441   2.525
  254    H    THR  45           H        THR  45  -3.215  -0.853  -1.631
  255    HA   THR  45           HA       THR  45  -2.339  -3.599  -1.766
  256    HB   THR  45           HB       THR  45  -0.715  -1.112  -2.200
  257    HG1  THR  45           HG1      THR  45  -2.427  -2.552  -3.970
  258   HG21  THR  45          1HG2      THR  45   0.627  -3.166  -2.185
  259   HG22  THR  45          2HG2      THR  45  -0.507  -3.952  -3.310
  260   HG23  THR  45          3HG2      THR  45   0.473  -2.584  -3.855
  261    H    PHE  46           H        PHE  46  -1.317  -4.736  -0.091
  262    HA   PHE  46           HA       PHE  46  -0.362  -3.172   2.242
  263    HB2  PHE  46           2HB      PHE  46  -0.773  -6.131   1.781
  264    HD1  PHE  46           HD1      PHE  46  -2.968  -3.585   1.941
  265    HD2  PHE  46           HD2      PHE  46  -1.674  -6.927   4.307
  266    HE1  PHE  46           HE1      PHE  46  -4.912  -3.290   3.416
  267    HE2  PHE  46           HE2      PHE  46  -3.534  -6.544   5.864
  268    HZ   PHE  46           HZ       PHE  46  -5.186  -4.774   5.424
  269    H    VAL  47           H        VAL  47   1.862  -3.191   2.818
  270    HA   VAL  47           HA       VAL  47   3.722  -4.451   0.802
  271    HB   VAL  47           HB       VAL  47   4.015  -1.961   2.502
  272   HG11  VAL  47          1HG1      VAL  47   6.205  -3.045   2.337
  273   HG12  VAL  47          2HG1      VAL  47   6.000  -3.253   0.583
  274   HG13  VAL  47          3HG1      VAL  47   6.155  -1.629   1.289
  275   HG21  VAL  47          3HG2      VAL  47   4.082  -0.810   0.312
  276   HG22  VAL  47          1HG2      VAL  47   3.873  -2.353  -0.525
  277   HG23  VAL  47          2HG2      VAL  47   2.563  -1.715   0.467
  278    H    HIS  48           H        HIS  48   5.486  -5.725   1.468
  279    HA   HIS  48           HA       HIS  48   5.760  -6.148   4.444
  280    HB2  HIS  48           2HB      HIS  48   5.739  -8.126   2.186
  281    HD1  HIS  48           HD1      HIS  48   5.350  -9.623   5.610
  282    HD2  HIS  48           HD2      HIS  48   2.976  -7.340   2.941
  283    HE1  HIS  48           HE1      HIS  48   2.940  -9.830   6.380
  284    HE2  HIS  48           HE2      HIS  48   1.533  -8.398   4.826
  285    H    GLU  49           H        GLU  49   7.273  -4.590   4.723
  286    HA   GLU  49           HA       GLU  49   9.945  -5.501   4.329
  287    HB2  GLU  49           2HB      GLU  49  10.930  -3.537   3.267
  288    HG2  GLU  49           2HG      GLU  49   8.643  -2.568   1.809
  289    H    SER  50           H        SER  50  10.529  -2.255   5.056
  290    HA   SER  50           HA       SER  50   9.259  -2.099   7.564
  291    HB2  SER  50           2HB      SER  50  11.026  -2.578   9.153
  292    HG   SER  50           HG       SER  50  12.655  -2.444   7.227
  293    H    LEU  51           H        LEU  51   9.259  -0.088   8.038
  294    HA   LEU  51           HA       LEU  51   9.577   2.120   7.495
  295    HB2  LEU  51           2HB      LEU  51   9.678   1.436   9.851
  296    HG   LEU  51           HG       LEU  51   9.732   3.897   9.249
  297   HD11  LEU  51          1HD1      LEU  51   9.282   2.988  11.517
  298   HD12  LEU  51          2HD1      LEU  51  11.023   3.016  11.865
  299   HD13  LEU  51          3HD1      LEU  51  10.137   4.532  11.587
  300   HD21  LEU  51          3HD2      LEU  51  11.824   5.101  10.032
  301   HD22  LEU  51          1HD2      LEU  51  12.690   3.559   9.897
  302   HD23  LEU  51          2HD2      LEU  51  11.968   4.333   8.462
  303    H    ALA  52           H        ALA  52  12.978   1.254   8.248
  304    HA   ALA  52           HA       ALA  52  14.007   3.580   7.019
  305    HB1  ALA  52           3HB      ALA  52  16.177   2.391   7.099
  306    HB2  ALA  52           1HB      ALA  52  15.278   2.174   8.615
  307    HB3  ALA  52           2HB      ALA  52  15.339   0.857   7.418
  308    H    ASP  53           H        ASP  53  13.104   0.435   5.594
  309    HA   ASP  53           HA       ASP  53  14.644   1.037   3.178
  310    HB2  ASP  53           2HB      ASP  53  13.521  -1.350   4.277
  311    H    VAL  54           H        VAL  54  11.099   0.714   3.793
  312    HA   VAL  54           HA       VAL  54  10.140   2.133   1.719
  313    HB   VAL  54           HB       VAL  54   9.258   1.579   4.420
  314   HG11  VAL  54          1HG1      VAL  54   9.049   4.069   4.684
  315   HG12  VAL  54          2HG1      VAL  54   7.974   4.040   3.245
  316   HG13  VAL  54          3HG1      VAL  54   7.520   3.190   4.722
  317   HG21  VAL  54          3HG2      VAL  54   7.086   1.321   3.256
  318   HG22  VAL  54          1HG2      VAL  54   7.740   2.148   1.827
  319   HG23  VAL  54          2HG2      VAL  54   8.354   0.569   2.297
  320    H    LYS  55           H        LYS  55  11.766   3.665   4.510
  321    HA   LYS  55           HA       LYS  55  11.416   6.347   3.624
  322    HB2  LYS  55           2HB      LYS  55  11.917   5.727   5.925
  323    HG2  LYS  55           2HG      LYS  55  12.667   7.978   4.556
  324    HD2  LYS  55           2HD      LYS  55  15.119   7.363   6.203
  325    HE2  LYS  55           2HE      LYS  55  16.250   8.878   4.613
  326    HZ1  LYS  55           3HZ      LYS  55  14.854  10.871   4.671
  327    HZ2  LYS  55           1HZ      LYS  55  13.567  10.013   5.081
  328    HZ3  LYS  55           2HZ      LYS  55  14.829  10.121   6.154
  329    H    ALA  56           H        ALA  56  13.932   3.890   2.847
  330    HA   ALA  56           HA       ALA  56  15.649   5.766   1.421
  331    HB1  ALA  56           3HB      ALA  56  16.732   3.763   0.540
  332    HB2  ALA  56           1HB      ALA  56  16.503   3.630   2.295
  333    HB3  ALA  56           2HB      ALA  56  15.447   2.731   1.188
  334    H    VAL  57           H        VAL  57  13.320   3.285   0.438
  335    HA   VAL  57           HA       VAL  57  12.977   3.550  -2.278
  336    HB   VAL  57           HB       VAL  57  11.124   3.030   0.016
  337   HG11  VAL  57          1HG1      VAL  57   9.575   3.960  -1.479
  338   HG12  VAL  57          2HG1      VAL  57  10.230   3.094  -2.872
  339   HG13  VAL  57          3HG1      VAL  57   9.411   2.215  -1.558
  340   HG21  VAL  57          3HG2      VAL  57  11.161   0.740  -0.840
  341   HG22  VAL  57          1HG2      VAL  57  12.251   1.242  -2.148
  342   HG23  VAL  57          2HG2      VAL  57  12.789   1.322  -0.479
  343    H    CYS  58           H        CYS  58  11.296   5.491   0.207
  344    HA   CYS  58           HA       CYS  58   9.866   7.335  -1.125
  345    HB2  CYS  58           2HB      CYS  58   9.797   7.974   1.037
  346    H    SER  59           H        SER  59  13.455   7.393  -1.179
  347    HA   SER  59           HA       SER  59  13.301   9.761  -3.027
  348    HB2  SER  59           2HB      SER  59  14.143  10.089  -0.549
  349    HG   SER  59           HG       SER  59  15.959  11.386  -1.595
  350    H    GLN  60           H        GLN  60  13.372   6.784  -3.580
  351    HA   GLN  60           HA       GLN  60  16.165   6.343  -4.307
  352    HB2  GLN  60           2HB      GLN  60  14.589   4.733  -3.157
  353    HG2  GLN  60           2HG      GLN  60  15.539   2.787  -4.451
  354   HE21  GLN  60          2HE2      GLN  60  18.144   5.210  -4.305
  355   HE22  GLN  60          1HE2      GLN  60  18.737   4.655  -2.752
  356    H    LYS  61           H        LYS  61  13.190   5.708  -6.321
  357    HA   LYS  61           HA       LYS  61  14.575   7.123  -8.593
  358    HB2  LYS  61           2HB      LYS  61  12.999   4.563  -8.542
  359    HG2  LYS  61           2HG      LYS  61  14.423   4.079 -10.558
  360    HD2  LYS  61           2HD      LYS  61  16.572   3.718  -9.495
  361    HE2  LYS  61           2HE      LYS  61  16.018   2.591  -7.413
  362    HZ1  LYS  61           3HZ      LYS  61  14.021   1.355  -8.047
  363    HZ2  LYS  61           1HZ      LYS  61  13.785   2.308  -9.337
  364    HZ3  LYS  61           2HZ      LYS  61  15.156   1.373  -9.230
  365    H    LYS  62           H        LYS  62  13.638   9.127  -8.593
  366    HA   LYS  62           HA       LYS  62  10.872   9.650  -7.910
  367    HB2  LYS  62           2HB      LYS  62  12.781  11.304  -7.973
  368    HG2  LYS  62           2HG      LYS  62  10.545  12.205  -7.927
  369    HD2  LYS  62           2HD      LYS  62  10.601  11.778 -10.937
  370    HE2  LYS  62           2HE      LYS  62   8.486  13.221 -10.948
  371    HZ1  LYS  62           3HZ      LYS  62   9.683  15.231 -11.368
  372    HZ2  LYS  62           1HZ      LYS  62  11.048  14.640 -10.665
  373    HZ3  LYS  62           2HZ      LYS  62  10.462  13.954 -12.043
  374    H    VAL  63           H        VAL  63   9.108   8.876  -9.155
  375    HA   VAL  63           HA       VAL  63   9.438   8.996 -12.096
  376    HB   VAL  63           HB       VAL  63   8.207   7.065 -12.495
  377   HG11  VAL  63          1HG1      VAL  63  10.631   6.763 -11.960
  378   HG12  VAL  63          2HG1      VAL  63  10.189   6.351 -10.293
  379   HG13  VAL  63          3HG1      VAL  63   9.661   5.311 -11.622
  380   HG21  VAL  63          3HG2      VAL  63   7.232   5.546 -10.958
  381   HG22  VAL  63          1HG2      VAL  63   7.886   6.383  -9.557
  382   HG23  VAL  63          2HG2      VAL  63   6.594   7.135 -10.531
  383    H    THR  64           H        THR  64   7.225   9.144 -13.156
  384    HA   THR  64           HA       THR  64   5.555  11.075 -11.590
  385    HB   THR  64           HB       THR  64   5.952  10.952 -14.598
  386    HG1  THR  64           HG1      THR  64   7.326  12.701 -14.290
  387   HG21  THR  64          1HG2      THR  64   3.853  12.050 -13.824
  388   HG22  THR  64          2HG2      THR  64   4.798  13.098 -12.747
  389   HG23  THR  64          3HG2      THR  64   4.977  13.231 -14.508
  390    H    CYS  65           H        CYS  65   3.579  10.226 -11.128
  391    HA   CYS  65           HA       CYS  65   2.608   7.747 -12.161
  392    HB2  CYS  65           2HB      CYS  65   1.167  10.116 -10.882
  393    H    LYS  66           H        LYS  66   0.669   7.487 -13.579
  394    HA   LYS  66           HA       LYS  66   0.762   9.164 -15.976
  395    HB2  LYS  66           2HB      LYS  66   0.438   6.660 -15.941
  396    HG2  LYS  66           2HG      LYS  66  -1.231   8.614 -17.470
  397    HD2  LYS  66           2HD      LYS  66  -2.263   6.681 -18.723
  398    HE2  LYS  66           2HE      LYS  66  -3.279   7.083 -15.857
  399    HZ1  LYS  66           3HZ      LYS  66  -5.395   6.729 -16.838
  400    HZ2  LYS  66           1HZ      LYS  66  -4.746   6.428 -18.317
  401    HZ3  LYS  66           2HZ      LYS  66  -4.465   5.394 -17.062
  402    H    ASP  67           H        ASP  67   0.299  10.947 -14.232
  403    HA   ASP  67           HA       ASP  67  -2.236  12.180 -14.381
  404    HB2  ASP  67           2HB      ASP  67  -3.406  10.791 -13.031
  405    H    GLY  68           H        GLY  68  -0.215  11.721 -11.502
  406    HA2  GLY  68           2HA      GLY  68   1.936  12.687 -11.051
  407    H    GLN  69           H        GLN  69  -0.868  12.989  -9.999
  408    HA   GLN  69           HA       GLN  69  -1.238  15.633  -8.997
  409    HB2  GLN  69           2HB      GLN  69  -2.914  13.865  -9.282
  410    HG2  GLN  69           2HG      GLN  69  -2.748  14.875  -6.423
  411   HE21  GLN  69          2HE2      GLN  69  -4.787  13.383  -9.038
  412   HE22  GLN  69          1HE2      GLN  69  -6.084  12.961  -7.938
  413    H    THR  70           H        THR  70   0.630  12.856  -7.897
  414    HA   THR  70           HA       THR  70   1.869  14.567  -5.813
  415    HB   THR  70           HB       THR  70   0.513  12.802  -4.653
  416    HG1  THR  70           HG1      THR  70   2.341  12.077  -3.446
  417   HG21  THR  70          1HG2      THR  70   0.743  10.994  -6.403
  418   HG22  THR  70          2HG2      THR  70   2.446  10.815  -5.920
  419   HG23  THR  70          3HG2      THR  70   1.153  10.474  -4.761
  420    H    ASN  71           H        ASN  71   4.026  13.477  -5.303
  421    HA   ASN  71           HA       ASN  71   5.547  12.993  -7.842
  422    HB2  ASN  71           2HB      ASN  71   6.306  14.802  -6.321
  423   HD21  ASN  71          2HD2      ASN  71   8.756  15.009  -5.762
  424   HD22  ASN  71          1HD2      ASN  71   9.816  14.158  -6.860
  425    H    CYS  72           H        CYS  72   6.049  10.846  -8.251
  426    HA   CYS  72           HA       CYS  72   5.084   8.886  -6.213
  427    HB2  CYS  72           2HB      CYS  72   5.111   8.488  -9.219
  428    H    TYR  73           H        TYR  73   6.899   8.129  -5.171
  429    HA   TYR  73           HA       TYR  73   9.437   7.934  -6.669
  430    HB2  TYR  73           2HB      TYR  73   8.905   7.643  -3.716
  431    HD1  TYR  73           HD1      TYR  73  11.070  10.102  -5.474
  432    HD2  TYR  73           HD2      TYR  73   7.249   9.488  -3.622
  433    HE1  TYR  73           HE1      TYR  73  10.714  12.555  -5.262
  434    HE2  TYR  73           HE2      TYR  73   6.995  11.949  -3.358
  435    HH   TYR  73           HH       TYR  73   8.357  13.756  -2.819
  436    H    GLN  74           H        GLN  74   9.938   6.081  -7.566
  437    HA   GLN  74           HA       GLN  74   8.715   3.528  -6.916
  438    HB2  GLN  74           2HB      GLN  74   9.135   4.228  -9.249
  439    HG2  GLN  74           2HG      GLN  74  10.739   1.828  -8.294
  440   HE21  GLN  74          2HE2      GLN  74   9.472   2.518 -11.548
  441   HE22  GLN  74          1HE2      GLN  74  11.031   2.388 -12.337
  442    H    SER  75           H        SER  75   9.575   1.931  -5.756
  443    HA   SER  75           HA       SER  75  11.783   2.202  -4.090
  444    HB2  SER  75           2HB      SER  75  11.313  -0.263  -3.634
  445    HG   SER  75           HG       SER  75  10.785  -1.175  -5.544
  446    H    LYS  76           H        LYS  76  13.629   0.795  -3.856
  447    HA   LYS  76           HA       LYS  76  15.579   1.080  -5.806
  448    HB2  LYS  76           2HB      LYS  76  16.743  -0.788  -4.538
  449    HG2  LYS  76           2HG      LYS  76  14.431  -0.392  -2.561
  450    HD2  LYS  76           2HD      LYS  76  15.516  -2.511  -1.620
  451    HE2  LYS  76           2HE      LYS  76  17.202  -0.029  -1.119
  452    HZ1  LYS  76           3HZ      LYS  76  16.795  -0.892   1.208
  453    HZ2  LYS  76           1HZ      LYS  76  15.976  -2.082   0.633
  454    HZ3  LYS  76           2HZ      LYS  76  17.607  -2.020   0.289
  455    H    SER  77           H        SER  77  13.633  -1.810  -5.178
  456    HA   SER  77           HA       SER  77  14.105  -2.950  -7.856
  457    HB2  SER  77           2HB      SER  77  14.628  -5.104  -6.475
  458    HG   SER  77           HG       SER  77  15.398  -4.606  -4.351
  459    H    THR  78           H        THR  78  12.709  -5.317  -7.445
  460    HA   THR  78           HA       THR  78  10.000  -4.522  -6.849
  461    HB   THR  78           HB       THR  78   9.777  -7.086  -7.207
  462    HG1  THR  78           HG1      THR  78  11.616  -7.994  -8.187
  463   HG21  THR  78          1HG2      THR  78   9.256  -5.404  -8.983
  464   HG22  THR  78          2HG2      THR  78  10.968  -5.369  -9.444
  465   HG23  THR  78          3HG2      THR  78  10.015  -6.851  -9.658
  466    H    MET  79           H        MET  79   8.848  -5.098  -4.966
  467    HA   MET  79           HA       MET  79  10.265  -6.483  -2.761
  468    HB2  MET  79           2HB      MET  79   8.698  -3.863  -2.674
  469    HG2  MET  79           2HG      MET  79  11.442  -4.638  -1.618
  470    HE1  MET  79           3HE      MET  79  12.585  -1.337  -0.068
  471    HE2  MET  79           1HE      MET  79  12.870  -3.085  -0.209
  472    HE3  MET  79           2HE      MET  79  12.958  -2.055  -1.661
  473    H    ARG  80           H        ARG  80   8.707  -7.343  -1.218
  474    HA   ARG  80           HA       ARG  80   6.604  -8.732  -2.636
  475    HB2  ARG  80           2HB      ARG  80   8.237  -9.437  -0.591
  476    HG2  ARG  80           2HG      ARG  80   6.405 -11.188   0.009
  477    HD2  ARG  80           2HD      ARG  80   6.609 -12.352  -2.162
  478    HE   ARG  80           HE       ARG  80   8.724 -11.594  -0.558
  479   HH11  ARG  80          1HH2      ARG  80   8.397 -12.482  -4.009
  480   HH12  ARG  80          2HH2      ARG  80  10.071 -12.832  -4.211
  481   HH21  ARG  80          1HH1      ARG  80  10.952 -12.104  -0.834
  482   HH22  ARG  80          2HH1      ARG  80  11.541 -12.662  -2.367
  483    H    ILE  81           H        ILE  81   4.462  -8.181  -2.700
  484    HA   ILE  81           HA       ILE  81   3.364  -6.543  -0.529
  485    HB   ILE  81           HB       ILE  81   2.122  -5.101  -1.893
  486   HG12  ILE  81          2HG1      ILE  81   1.581  -6.494  -3.812
  487   HG21  ILE  81          1HG2      ILE  81   4.418  -4.432  -1.324
  488   HG22  ILE  81          2HG2      ILE  81   4.984  -4.974  -2.899
  489   HG23  ILE  81          3HG2      ILE  81   3.773  -3.672  -2.785
  490   HD11  ILE  81          3HD1      ILE  81   3.000  -6.387  -5.785
  491   HD12  ILE  81          1HD1      ILE  81   4.297  -5.588  -4.870
  492   HD13  ILE  81          2HD1      ILE  81   3.859  -7.261  -4.512
  493    H    THR  82           H        THR  82   1.312  -6.900  -0.018
  494    HA   THR  82           HA       THR  82  -0.040  -9.298  -1.120
  495    HB   THR  82           HB       THR  82  -1.205  -8.776   1.292
  496    HG1  THR  82           HG1      THR  82   0.282  -8.027   2.722
  497   HG21  THR  82          1HG2      THR  82  -0.121 -10.931   0.525
  498   HG22  THR  82          2HG2      THR  82   1.455 -10.224   0.927
  499   HG23  THR  82          3HG2      THR  82   0.269 -10.537   2.211
  500    H    ASP  83           H        ASP  83  -1.064  -8.176  -2.903
  501    HA   ASP  83           HA       ASP  83  -2.175  -5.555  -2.375
  502    HB2  ASP  83           2HB      ASP  83  -1.330  -6.122  -4.606
  503    H    CYS  84           H        CYS  84  -4.015  -5.251  -1.126
  504    HA   CYS  84           HA       CYS  84  -5.787  -7.568  -0.718
  505    HB2  CYS  84           2HB      CYS  84  -4.732  -6.239   1.225
  506    H    ARG  85           H        ARG  85  -7.880  -7.645  -1.342
  507    HA   ARG  85           HA       ARG  85  -9.187  -5.227  -2.400
  508    HB2  ARG  85           2HB      ARG  85  -8.114  -7.002  -4.215
  509    HG2  ARG  85           2HG      ARG  85 -10.597  -5.337  -4.226
  510    HD2  ARG  85           2HD      ARG  85 -10.300  -5.881  -6.901
  511    HE   ARG  85           HE       ARG  85 -12.345  -7.364  -5.354
  512   HH11  ARG  85          1HH2      ARG  85 -11.360  -4.085  -6.004
  513   HH12  ARG  85          2HH2      ARG  85 -12.986  -3.448  -5.917
  514   HH21  ARG  85          1HH1      ARG  85 -14.519  -6.584  -5.621
  515   HH22  ARG  85          2HH1      ARG  85 -14.702  -4.877  -5.350
  516    H    GLU  86           H        GLU  86 -11.544  -5.499  -2.425
  517    HA   GLU  86           HA       GLU  86 -12.601  -7.449  -0.499
  518    HB2  GLU  86           2HB      GLU  86 -14.703  -6.476  -0.956
  519    HG2  GLU  86           2HG      GLU  86 -13.288  -5.241  -3.323
  520    H    THR  87           H        THR  87 -13.873  -9.297  -1.080
  521    HA   THR  87           HA       THR  87 -13.720 -10.294  -3.864
  522    HB   THR  87           HB       THR  87 -14.780 -12.288  -2.913
  523    HG1  THR  87           HG1      THR  87 -15.130 -12.251  -0.594
  524   HG21  THR  87          1HG2      THR  87 -12.304 -12.002  -2.656
  525   HG22  THR  87          2HG2      THR  87 -12.577 -11.316  -1.040
  526   HG23  THR  87          3HG2      THR  87 -13.031 -12.996  -1.379
  527    H    GLY  88           H        GLY  88 -16.069 -11.306  -4.509
  528    HA2  GLY  88           2HA      GLY  88 -17.922  -9.088  -4.759
  529    H    SER  89           H        SER  89 -17.435  -9.828  -1.945
  530    HA   SER  89           HA       SER  89 -20.230 -10.295  -1.082
  531    HB2  SER  89           2HB      SER  89 -17.806 -11.688   0.133
  532    HG   SER  89           HG       SER  89 -18.893 -13.578  -0.681
  533    H    SER  90           H        SER  90 -18.291  -7.975  -1.412
  534    HA   SER  90           HA       SER  90 -17.306  -7.197   1.141
  535    HB2  SER  90           2HB      SER  90 -16.729  -6.352  -1.282
  536    HG   SER  90           HG       SER  90 -16.052  -4.408  -0.406
  537    H    LYS  91           H        LYS  91 -18.856  -7.309   2.799
  538    HA   LYS  91           HA       LYS  91 -21.347  -5.660   2.547
  539    HB2  LYS  91           2HB      LYS  91 -20.907  -8.550   3.379
  540    HG2  LYS  91           2HG      LYS  91 -21.407  -8.177   0.989
  541    HD2  LYS  91           2HD      LYS  91 -22.736  -6.203   0.867
  542    HE2  LYS  91           2HE      LYS  91 -23.876  -6.128   3.023
  543    HZ1  LYS  91           3HZ      LYS  91 -25.723  -7.581   3.454
  544    HZ2  LYS  91           1HZ      LYS  91 -25.463  -8.426   2.067
  545    HZ3  LYS  91           2HZ      LYS  91 -24.351  -8.471   3.282
  546    H    TYR  92           H        TYR  92 -19.898  -4.126   3.741
  547    HA   TYR  92           HA       TYR  92 -18.765  -4.404   6.203
  548    HB2  TYR  92           2HB      TYR  92 -18.728  -2.288   5.117
  549    HD1  TYR  92           HD2      TYR  92 -21.852  -1.569   6.982
  550    HD2  TYR  92           HD1      TYR  92 -17.545  -1.563   7.163
  551    HE1  TYR  92           HE2      TYR  92 -21.949  -0.358   9.127
  552    HE2  TYR  92           HE1      TYR  92 -17.656  -0.168   9.230
  553    HH   TYR  92           HH       TYR  92 -20.739   0.626  10.830
  554    HA   PRO  93           HA       PRO  93 -18.515  -4.074   8.404
  555    HB2  PRO  93           2HB      PRO  93 -18.476  -5.589  10.611
  556    HG2  PRO  93           2HG      PRO  93 -20.535  -6.752  10.215
  557    HD2  PRO  93           2HD      PRO  93 -22.195  -5.816   8.821
  558    H    ASN  94           H        ASN  94 -19.982  -6.946   7.157
  559    HA   ASN  94           HA       ASN  94 -17.631  -8.706   7.430
  560    HB2  ASN  94           2HB      ASN  94 -20.393  -8.950   6.225
  561   HD21  ASN  94          2HD2      ASN  94 -19.948  -8.853   8.934
  562   HD22  ASN  94          1HD2      ASN  94 -19.984 -10.485   9.590
  563    H    CYS  95           H        CYS  95 -16.337  -6.836   6.712
  564    HA   CYS  95           HA       CYS  95 -16.314  -6.152   3.882
  565    HB2  CYS  95           2HB      CYS  95 -15.480  -4.702   5.700
  566    H    ALA  96           H        ALA  96 -16.358  -8.140   2.919
  567    HA   ALA  96           HA       ALA  96 -14.719 -10.340   3.570
  568    HB1  ALA  96           3HB      ALA  96 -15.653 -11.331   1.528
  569    HB2  ALA  96           1HB      ALA  96 -16.906 -10.468   2.443
  570    HB3  ALA  96           2HB      ALA  96 -16.205  -9.731   0.984
  571    H    TYR  97           H        TYR  97 -12.575  -9.243   3.618
  572    HA   TYR  97           HA       TYR  97 -11.370  -8.487   1.111
  573    HB2  TYR  97           2HB      TYR  97 -10.151  -9.021   3.833
  574    HD1  TYR  97           HD1      TYR  97 -10.136  -6.236   1.314
  575    HD2  TYR  97           HD2      TYR  97 -11.005  -7.420   5.367
  576    HE1  TYR  97           HE1      TYR  97 -10.261  -3.874   1.966
  577    HE2  TYR  97           HE2      TYR  97 -11.181  -5.058   6.018
  578    HH   TYR  97           HH       TYR  97 -11.313  -2.909   5.287
  579    H    LYS  98           H        LYS  98  -9.610  -9.379   0.019
  580    HA   LYS  98           HA       LYS  98  -8.400 -11.860   0.861
  581    HB2  LYS  98           2HB      LYS  98 -10.471 -12.356  -0.688
  582    HG2  LYS  98           2HG      LYS  98  -9.492 -14.133  -1.903
  583    HD2  LYS  98           2HD      LYS  98  -7.904 -14.101   0.671
  584    HE2  LYS  98           2HE      LYS  98  -9.846 -16.185  -0.403
  585    HZ1  LYS  98           3HZ      LYS  98  -8.735 -17.628   1.030
  586    HZ2  LYS  98           1HZ      LYS  98  -7.431 -16.643   1.199
  587    HZ3  LYS  98           2HZ      LYS  98  -8.794 -16.251   1.956
  588    H    THR  99           H        THR  99  -6.415 -12.213  -0.686
  589    HA   THR  99           HA       THR  99  -5.373  -9.618  -1.537
  590    HB   THR  99           HB       THR  99  -4.778 -10.689   1.051
  591    HG1  THR  99           HG1      THR  99  -3.938  -8.733   1.280
  592   HG21  THR  99          1HG2      THR  99  -2.846 -11.983  -0.062
  593   HG22  THR  99          2HG2      THR  99  -2.240 -10.410  -0.596
  594   HG23  THR  99          3HG2      THR  99  -2.400 -10.770   1.131
  595    H    THR 100           H        THR 100  -3.615  -9.624  -2.864
  596    HA   THR 100           HA       THR 100  -2.952 -12.244  -4.139
  597    HB   THR 100           HB       THR 100  -2.352  -9.502  -5.283
  598    HG1  THR 100           HG1      THR 100  -4.528  -9.441  -4.873
  599   HG21  THR 100          1HG2      THR 100  -1.382 -11.548  -6.348
  600   HG22  THR 100          2HG2      THR 100  -3.027 -12.189  -6.559
  601   HG23  THR 100          3HG2      THR 100  -2.539 -10.705  -7.400
  602    H    GLN 101           H        GLN 101  -1.125 -13.064  -3.151
  603    HA   GLN 101           HA       GLN 101   1.058 -11.407  -2.096
  604    HB2  GLN 101           2HB      GLN 101   0.558 -14.366  -2.578
  605    HG2  GLN 101           2HG      GLN 101  -0.068 -13.177  -0.344
  606   HE21  GLN 101          2HE2      GLN 101   1.575 -13.946   1.978
  607   HE22  GLN 101          1HE2      GLN 101   2.905 -12.817   2.004
  608    H    VAL 102           H        VAL 102   2.396 -10.317  -3.518
  609    HA   VAL 102           HA       VAL 102   3.514 -11.740  -5.840
  610    HB   VAL 102           HB       VAL 102   3.028  -9.480  -7.151
  611   HG11  VAL 102          1HG1      VAL 102   2.335 -11.707  -7.914
  612   HG12  VAL 102          2HG1      VAL 102   0.873 -11.598  -6.916
  613   HG13  VAL 102          3HG1      VAL 102   1.113 -10.470  -8.253
  614   HG21  VAL 102          3HG2      VAL 102   0.941  -8.401  -6.696
  615   HG22  VAL 102          1HG2      VAL 102   0.506  -9.597  -5.482
  616   HG23  VAL 102          2HG2      VAL 102   1.825  -8.455  -5.162
  617    H    GLU 103           H        GLU 103   5.287 -10.396  -6.801
  618    HA   GLU 103           HA       GLU 103   6.374  -8.352  -4.952
  619    HB2  GLU 103           2HB      GLU 103   8.612  -9.030  -6.068
  620    HG2  GLU 103           2HG      GLU 103   7.582 -10.655  -7.728
  621    H    LYS 104           H        LYS 104   6.576  -6.339  -5.738
  622    HA   LYS 104           HA       LYS 104   6.837  -5.801  -8.645
  623    HB2  LYS 104           2HB      LYS 104   4.460  -5.077  -6.956
  624    HG2  LYS 104           2HG      LYS 104   3.354  -5.039  -9.146
  625    HD2  LYS 104           2HD      LYS 104   4.254  -7.826  -9.313
  626    HE2  LYS 104           2HE      LYS 104   1.891  -8.232  -8.763
  627    HZ1  LYS 104           3HZ      LYS 104   0.814  -6.975 -10.441
  628    HZ2  LYS 104           1HZ      LYS 104   2.047  -5.896 -10.534
  629    HZ3  LYS 104           2HZ      LYS 104   2.289  -7.461 -10.983
  630    H    HIS 105           H        HIS 105   7.393  -3.405  -8.869
  631    HA   HIS 105           HA       HIS 105   9.105  -2.453  -6.657
  632    HB2  HIS 105           2HB      HIS 105   7.905  -0.694  -8.819
  633    HD1  HIS 105           HD1      HIS 105   8.116  -2.326 -10.870
  634    HD2  HIS 105           HD2      HIS 105  11.662  -1.502  -8.731
  635    HE1  HIS 105           HE1      HIS 105  10.083  -3.118 -12.372
  636    HE2  HIS 105           HE2      HIS 105  12.230  -2.602 -11.047
  637    H    ILE 106           H        ILE 106   8.385  -1.004  -5.021
  638    HA   ILE 106           HA       ILE 106   5.435  -0.477  -4.974
  639    HB   ILE 106           HB       ILE 106   5.676   0.107  -2.673
  640   HG12  ILE 106          2HG1      ILE 106   8.567  -0.826  -2.818
  641   HG21  ILE 106          1HG2      ILE 106   5.193  -2.213  -3.516
  642   HG22  ILE 106          2HG2      ILE 106   6.882  -2.642  -3.246
  643   HG23  ILE 106          3HG2      ILE 106   5.849  -2.196  -1.871
  644   HD11  ILE 106          3HD1      ILE 106   8.627  -0.024  -0.446
  645   HD12  ILE 106          1HD1      ILE 106   6.859   0.125  -0.480
  646   HD13  ILE 106          2HD1      ILE 106   7.636  -1.470  -0.663
  647    H    ILE 107           H        ILE 107   4.708   1.563  -5.214
  648    HA   ILE 107           HA       ILE 107   6.720   3.680  -5.699
  649    HB   ILE 107           HB       ILE 107   3.890   3.692  -6.719
  650   HG12  ILE 107          2HG1      ILE 107   4.831   1.640  -7.630
  651   HG21  ILE 107          1HG2      ILE 107   5.082   5.809  -6.674
  652   HG22  ILE 107          2HG2      ILE 107   6.450   5.120  -7.558
  653   HG23  ILE 107          3HG2      ILE 107   4.871   5.272  -8.354
  654   HD11  ILE 107          3HD1      ILE 107   6.585   1.671  -9.302
  655   HD12  ILE 107          1HD1      ILE 107   6.971   3.356  -8.916
  656   HD13  ILE 107          2HD1      ILE 107   7.224   2.066  -7.703
  657    H    VAL 108           H        VAL 108   6.787   5.051  -3.936
  658    HA   VAL 108           HA       VAL 108   4.279   5.353  -2.323
  659    HB   VAL 108           HB       VAL 108   5.446   5.589  -0.328
  660   HG11  VAL 108          1HG1      VAL 108   5.049   3.279  -1.113
  661   HG12  VAL 108          2HG1      VAL 108   6.709   3.218  -1.744
  662   HG13  VAL 108          3HG1      VAL 108   6.422   3.418  -0.005
  663   HG21  VAL 108          3HG2      VAL 108   7.921   5.366  -0.125
  664   HG22  VAL 108          1HG2      VAL 108   8.039   5.555  -1.892
  665   HG23  VAL 108          2HG2      VAL 108   7.384   6.866  -0.891
  666    H    ALA 109           H        ALA 109   4.352   7.397  -0.992
  667    HA   ALA 109           HA       ALA 109   4.816   9.671  -2.880
  668    HB1  ALA 109           3HB      ALA 109   2.786  10.578  -1.829
  669    HB2  ALA 109           1HB      ALA 109   2.461   8.919  -2.411
  670    HB3  ALA 109           2HB      ALA 109   2.775   9.226  -0.695
  671    H    CYS 110           H        CYS 110   6.706  10.581  -2.078
  672    HA   CYS 110           HA       CYS 110   7.113  10.872   0.829
  673    HB2  CYS 110           2HB      CYS 110   8.722   9.462  -0.524
  674    H    GLY 111           H        GLY 111   7.693  12.630   1.855
  675    HA2  GLY 111           2HA      GLY 111   8.434  15.145   0.848
  676    H    GLY 112           H        GLY 112   6.451  16.515   2.642
  677    HA2  GLY 112           2HA      GLY 112   6.093  17.001   4.853
  678    H    LYS 113           H        LYS 113   8.544  17.685   4.300
  679    HA   LYS 113           HA       LYS 113  10.837  16.912   4.891
  680    HB2  LYS 113           2HB      LYS 113  11.547  19.037   5.781
  681    HG2  LYS 113           2HG      LYS 113   8.555  19.576   6.131
  682    HD2  LYS 113           2HD      LYS 113  10.929  21.490   6.204
  683    HE2  LYS 113           2HE      LYS 113   7.949  21.947   6.761
  684    HZ1  LYS 113           3HZ      LYS 113   8.642  24.161   7.314
  685    HZ2  LYS 113           1HZ      LYS 113  10.194  23.856   6.872
  686    HZ3  LYS 113           2HZ      LYS 113   8.997  23.855   5.739
  687    HA   PRO 114           HA       PRO 114  12.873  16.369   5.776
  688    HB2  PRO 114           2HB      PRO 114  14.116  14.113   6.705
  689    HG2  PRO 114           2HG      PRO 114  12.297  13.400   8.133
  690    HD2  PRO 114           2HD      PRO 114  10.751  14.958   8.975
  691    H    SER 115           H        SER 115  13.733  14.007   4.660
  692    HA   SER 115           HA       SER 115  11.735  13.458   2.724
  693    HB2  SER 115           2HB      SER 115  13.493  11.688   2.081
  694    HG   SER 115           HG       SER 115  15.561  12.485   3.214
  695    H    VAL 116           H        VAL 116   9.824  12.704   4.064
  696    HA   VAL 116           HA       VAL 116  10.175   9.819   4.769
  697    HB   VAL 116           HB       VAL 116   8.651  10.043   6.566
  698   HG11  VAL 116          1HG1      VAL 116  11.087  10.510   6.908
  699   HG12  VAL 116          2HG1      VAL 116  10.748  12.245   6.739
  700   HG13  VAL 116          3HG1      VAL 116  10.040  11.336   8.081
  701   HG21  VAL 116          3HG2      VAL 116   7.845  12.260   7.349
  702   HG22  VAL 116          1HG2      VAL 116   8.483  13.002   5.870
  703   HG23  VAL 116          2HG2      VAL 116   7.159  11.827   5.781
  704    HA   PRO 117           HA       PRO 117   6.808   9.174   1.898
  705    HB2  PRO 117           2HB      PRO 117   6.308   6.572   2.313
  706    HG2  PRO 117           2HG      PRO 117   7.616   6.205   4.294
  707    HD2  PRO 117           2HD      PRO 117   8.962   7.881   5.085
  708    H    VAL 118           H        VAL 118   4.770   9.794   2.197
  709    HA   VAL 118           HA       VAL 118   3.454   9.351   4.845
  710    HB   VAL 118           HB       VAL 118   2.387  11.554   4.511
  711   HG11  VAL 118          1HG1      VAL 118   4.526  11.376   5.792
  712   HG12  VAL 118          2HG1      VAL 118   5.407  11.790   4.304
  713   HG13  VAL 118          3HG1      VAL 118   4.295  12.960   5.023
  714   HG21  VAL 118          3HG2      VAL 118   3.187  13.124   2.794
  715   HG22  VAL 118          1HG2      VAL 118   4.303  11.923   2.140
  716   HG23  VAL 118          2HG2      VAL 118   2.550  11.682   1.986
  717    H    HIS 119           H        HIS 119   3.270   8.619   1.533
  718    HA   HIS 119           HA       HIS 119   0.626   7.500   1.990
  719    HB2  HIS 119           2HB      HIS 119   0.745   9.977   0.635
  720    HD1  HIS 119           HD1      HIS 119  -1.751   8.420  -1.386
  721    HD2  HIS 119           HD2      HIS 119  -1.274   9.340   2.718
  722    HE1  HIS 119           HE1      HIS 119  -4.117   8.705  -0.414
  723    HE2  HIS 119           HE2      HIS 119  -3.815   9.249   2.080
  724    H    PHE 120           H        PHE 120   0.042   6.171   0.046
  725    HA   PHE 120           HA       PHE 120   2.411   4.881  -1.225
  726    HB2  PHE 120           2HB      PHE 120   1.350   3.314   0.257
  727    HD1  PHE 120           HD1      PHE 120   2.894   2.132  -1.399
  728    HD2  PHE 120           HD2      PHE 120  -1.283   2.856  -2.231
  729    HE1  PHE 120           HE1      PHE 120   2.906   0.331  -3.093
  730    HE2  PHE 120           HE2      PHE 120  -1.264   1.025  -3.890
  731    HZ   PHE 120           HZ       PHE 120   0.801  -0.286  -4.267
  732    H    ASP 121           H        ASP 121   2.236   4.744  -3.526
  733    HA   ASP 121           HA       ASP 121  -0.120   6.073  -4.792
  734    HB2  ASP 121           2HB      ASP 121   1.857   7.086  -5.568
  735    H    ALA 122           H        ALA 122   2.104   3.332  -5.579
  736    HA   ALA 122           HA       ALA 122  -0.071   1.464  -6.106
  737    HB1  ALA 122           3HB      ALA 122   0.292   1.409  -8.551
  738    HB2  ALA 122           1HB      ALA 122  -0.283   3.008  -8.052
  739    HB3  ALA 122           2HB      ALA 122   1.435   2.762  -8.423
  740    H    SER 123           H        SER 123   1.105  -0.457  -7.493
  741    HA   SER 123           HA       SER 123   3.975  -0.463  -6.963
  742    HB2  SER 123           2HB      SER 123   2.258  -2.846  -6.156
  743    HG   SER 123           HG       SER 123   2.870  -2.287  -4.048
  744    H    VAL 124           H        VAL 124   5.038  -1.159  -8.731
  745    HA   VAL 124           HA       VAL 124   4.304  -3.433 -10.128
  746    HB   VAL 124           HB       VAL 124   2.961  -1.210 -11.242
  747   HG11  VAL 124          1HG1      VAL 124   4.926  -0.629 -12.554
  748   HG12  VAL 124          2HG1      VAL 124   5.087  -2.311 -13.120
  749   HG13  VAL 124          3HG1      VAL 124   3.679  -1.334 -13.587
  750   HG21  VAL 124          3HG2      VAL 124   2.060  -3.004 -12.699
  751   HG22  VAL 124          1HG2      VAL 124   3.372  -4.087 -12.185
  752   HG23  VAL 124          2HG2      VAL 124   2.153  -3.548 -11.026
  Start of MODEL    4
    1    HA   LYS   1           HA       LYS   1   0.349  14.211  17.212
    2    HB2  LYS   1           2HB      LYS   1   0.298  12.097  18.437
    3    HG2  LYS   1           2HG      LYS   1  -2.099  11.292  16.701
    4    HD2  LYS   1           2HD      LYS   1  -1.905   9.175  17.977
    5    HE2  LYS   1           2HE      LYS   1  -2.410  11.566  19.822
    6    HZ1  LYS   1           2HZ      LYS   1  -2.438   9.444  20.936
    7    HZ2  LYS   1           3HZ      LYS   1  -3.949  10.080  20.855
    8    HZ3  LYS   1           1HZ      LYS   1  -3.531   8.845  19.859
    9    H    GLU   2           H        GLU   2  -0.102  11.688  14.784
   10    HA   GLU   2           HA       GLU   2   2.630  10.994  14.311
   11    HB2  GLU   2           2HB      GLU   2   1.629  10.252  12.132
   12    HG2  GLU   2           2HG      GLU   2  -0.249  12.178  12.218
   13    H    SER   3           H        SER   3   3.798  11.685  12.344
   14    HA   SER   3           HA       SER   3   3.305  14.500  11.507
   15    HB2  SER   3           2HB      SER   3   5.641  12.720  10.840
   16    HG   SER   3           HG       SER   3   6.627  13.900  12.611
   17    H    ALA   4           H        ALA   4   1.417  12.520  10.661
   18    HA   ALA   4           HA       ALA   4   0.317  11.676   8.862
   19    HB1  ALA   4           3HB      ALA   4   0.604  12.630   6.673
   20    HB2  ALA   4           1HB      ALA   4   0.624  13.916   7.892
   21    HB3  ALA   4           2HB      ALA   4   2.135  13.392   7.122
   22    H    ALA   5           H        ALA   5   3.711  11.838   7.742
   23    HA   ALA   5           HA       ALA   5   3.804   9.590   6.161
   24    HB1  ALA   5           3HB      ALA   5   6.219   9.568   6.610
   25    HB2  ALA   5           1HB      ALA   5   5.625  11.232   6.415
   26    HB3  ALA   5           2HB      ALA   5   5.993  10.609   8.033
   27    H    ALA   6           H        ALA   6   4.647   9.656   9.643
   28    HA   ALA   6           HA       ALA   6   5.203   6.942   9.973
   29    HB1  ALA   6           3HB      ALA   6   4.758   7.327  12.365
   30    HB2  ALA   6           1HB      ALA   6   5.687   8.663  11.658
   31    HB3  ALA   6           2HB      ALA   6   3.948   8.861  11.982
   32    H    LYS   7           H        LYS   7   2.031   8.570   9.908
   33    HA   LYS   7           HA       LYS   7   0.607   6.235  10.937
   34    HB2  LYS   7           2HB      LYS   7  -0.172   8.332  11.560
   35    HG2  LYS   7           2HG      LYS   7  -1.974   6.662  10.661
   36    HD2  LYS   7           2HD      LYS   7  -1.995   8.986   8.661
   37    HE2  LYS   7           2HE      LYS   7  -4.310   7.240   9.607
   38    HZ1  LYS   7           3HZ      LYS   7  -5.516   8.202   7.766
   39    HZ2  LYS   7           1HZ      LYS   7  -4.136   8.863   7.156
   40    HZ3  LYS   7           2HZ      LYS   7  -4.295   7.216   7.258
   41    H    PHE   8           H        PHE   8   1.009   7.909   7.780
   42    HA   PHE   8           HA       PHE   8  -0.461   6.134   6.106
   43    HB2  PHE   8           2HB      PHE   8   0.348   7.980   4.966
   44    HD1  PHE   8           HD1      PHE   8  -0.179   6.045   3.234
   45    HD2  PHE   8           HD2      PHE   8   3.762   6.794   4.805
   46    HE1  PHE   8           HE1      PHE   8   0.821   4.635   1.435
   47    HE2  PHE   8           HE2      PHE   8   4.728   5.327   3.083
   48    HZ   PHE   8           HZ       PHE   8   3.313   4.424   1.273
   49    H    GLU   9           H        GLU   9   2.983   5.987   7.078
   50    HA   GLU   9           HA       GLU   9   3.690   3.516   6.040
   51    HB2  GLU   9           2HB      GLU   9   4.566   5.149   8.437
   52    HG2  GLU   9           2HG      GLU   9   6.113   3.877   6.179
   53    H    ARG  10           H        ARG  10   2.570   4.102   9.474
   54    HA   ARG  10           HA       ARG  10   2.522   1.403  10.002
   55    HB2  ARG  10           2HB      ARG  10   0.745   3.597  11.153
   56    HG2  ARG  10           2HG      ARG  10   3.354   3.571  11.522
   57    HD2  ARG  10           2HD      ARG  10   2.486   1.425  13.487
   58    HE   ARG  10           HE       ARG  10   4.584   3.331  13.609
   59   HH11  ARG  10          1HH2      ARG  10   4.133  -0.145  13.929
   60   HH12  ARG  10          2HH2      ARG  10   5.431  -0.394  15.055
   61   HH21  ARG  10          1HH1      ARG  10   6.345   3.056  15.103
   62   HH22  ARG  10          2HH1      ARG  10   6.723   1.487  15.733
   63    H    GLN  11           H        GLN  11  -0.022   3.321   8.423
   64    HA   GLN  11           HA       GLN  11  -2.043   1.269   8.466
   65    HB2  GLN  11           2HB      GLN  11  -1.736   3.736   6.734
   66    HG2  GLN  11           2HG      GLN  11  -3.442   2.956   9.141
   67   HE21  GLN  11          2HE2      GLN  11  -5.384   3.930   9.449
   68   HE22  GLN  11          1HE2      GLN  11  -6.042   5.167   8.411
   69    H    HIS  12           H        HIS  12   0.370   2.170   5.958
   70    HA   HIS  12           HA       HIS  12  -0.597  -0.157   4.331
   71    HB2  HIS  12           2HB      HIS  12  -0.696   2.127   3.386
   72    HD1  HIS  12           HD1      HIS  12   1.611  -0.802   2.343
   73    HD2  HIS  12           HD2      HIS  12  -0.997   2.114   0.766
   74    HE1  HIS  12           HE1      HIS  12   1.426  -1.275  -0.178
   75    HE2  HIS  12           HE2      HIS  12  -0.142   0.510  -1.128
   76    H    MET  13           H        MET  13   2.440   1.270   5.618
   77    HA   MET  13           HA       MET  13   4.070  -0.793   4.406
   78    HB2  MET  13           2HB      MET  13   4.844   1.538   4.950
   79    HG2  MET  13           2HG      MET  13   6.314  -0.493   4.547
   80    HE1  MET  13           3HE      MET  13   8.791  -2.373   6.687
   81    HE2  MET  13           1HE      MET  13   7.811  -2.503   5.206
   82    HE3  MET  13           2HE      MET  13   8.878  -1.106   5.437
   83    H    ASP  14           H        ASP  14   4.746  -2.733   5.400
   84    HA   ASP  14           HA       ASP  14   4.218  -3.275   8.164
   85    HB2  ASP  14           2HB      ASP  14   2.020  -3.878   7.474
   86    H    SER  15           H        SER  15   5.037  -5.480   8.658
   87    HA   SER  15           HA       SER  15   7.219  -6.433   6.870
   88    HB2  SER  15           2HB      SER  15   8.753  -6.430   8.851
   89    HG   SER  15           HG       SER  15   8.146  -5.092  10.596
   90    H    GLY  16           H        GLY  16   4.437  -7.448   7.773
   91    HA2  GLY  16           2HA      GLY  16   4.637  -9.420   9.709
   92    H    ASN  17           H        ASN  17   5.933 -11.176   9.856
   93    HA   ASN  17           HA       ASN  17   7.568 -11.988   7.555
   94    HB2  ASN  17           2HB      ASN  17   8.996 -12.944   9.265
   95   HD21  ASN  17          2HD2      ASN  17   8.514 -14.670  10.659
   96   HD22  ASN  17          1HD2      ASN  17   7.514 -14.495  12.094
   97    H    SER  18           H        SER  18   4.581 -13.103   8.543
   98    HA   SER  18           HA       SER  18   5.055 -15.879   8.911
   99    HB2  SER  18           2HB      SER  18   2.496 -15.773   8.061
  100    HG   SER  18           HG       SER  18   1.730 -13.659   8.650
  101    HA   PRO  19           HA       PRO  19   5.522 -17.017   4.571
  102    HB2  PRO  19           2HB      PRO  19   4.850 -19.658   4.614
  103    HG2  PRO  19           2HG      PRO  19   3.599 -19.565   6.675
  104    HD2  PRO  19           2HD      PRO  19   4.042 -17.931   8.284
  105    H    SER  20           H        SER  20   4.136 -18.132   2.873
  106    HA   SER  20           HA       SER  20   2.425 -17.850   1.477
  107    HB2  SER  20           2HB      SER  20   0.350 -18.923   2.043
  108    HG   SER  20           HG       SER  20   0.105 -19.694   4.252
  109    H    SER  21           H        SER  21  -0.424 -17.157   2.264
  110    HA   SER  21           HA       SER  21  -0.570 -14.602   3.294
  111    HB2  SER  21           2HB      SER  21   0.841 -13.956   1.295
  112    HG   SER  21           HG       SER  21  -0.616 -12.454   0.416
  113    H    SER  22           H        SER  22  -2.887 -13.951   3.180
  114    HA   SER  22           HA       SER  22  -4.742 -15.285   1.468
  115    HB2  SER  22           2HB      SER  22  -5.912 -16.670   3.087
  116    HG   SER  22           HG       SER  22  -5.190 -16.736   5.255
  117    H    SER  23           H        SER  23  -7.082 -14.864   2.501
  118    HA   SER  23           HA       SER  23  -7.645 -12.167   2.975
  119    HB2  SER  23           2HB      SER  23  -9.706 -13.504   4.105
  120    HG   SER  23           HG       SER  23  -9.767 -15.589   3.164
  121    H    ASN  24           H        ASN  24  -6.294 -14.638   5.153
  122    HA   ASN  24           HA       ASN  24  -7.104 -13.470   7.607
  123    HB2  ASN  24           2HB      ASN  24  -4.530 -14.923   6.936
  124   HD21  ASN  24          2HD2      ASN  24  -7.110 -15.401   9.414
  125   HD22  ASN  24          1HD2      ASN  24  -7.581 -16.987   8.832
  126    H    TYR  25           H        TYR  25  -4.274 -12.659   5.468
  127    HA   TYR  25           HA       TYR  25  -3.257 -10.751   7.375
  128    HB2  TYR  25           2HB      TYR  25  -3.008 -10.988   4.334
  129    HD1  TYR  25           HD2      TYR  25  -1.092 -10.858   7.614
  130    HD2  TYR  25           HD1      TYR  25  -0.994 -11.833   3.418
  131    HE1  TYR  25           HE2      TYR  25   1.228 -11.601   7.840
  132    HE2  TYR  25           HE1      TYR  25   1.361 -12.558   3.655
  133    HH   TYR  25           HH       TYR  25   2.969 -12.979   6.702
  134    H    CYS  26           H        CYS  26  -5.632 -10.524   4.785
  135    HA   CYS  26           HA       CYS  26  -5.933  -7.645   4.693
  136    HB2  CYS  26           2HB      CYS  26  -7.706  -9.966   3.967
  137    H    ASN  27           H        ASN  27  -7.929 -10.119   6.304
  138    HA   ASN  27           HA       ASN  27  -9.480  -8.159   7.637
  139    HB2  ASN  27           2HB      ASN  27  -9.138 -11.129   8.197
  140   HD21  ASN  27          2HD2      ASN  27  -9.501 -11.419   5.798
  141   HD22  ASN  27          1HD2      ASN  27 -11.091 -11.080   5.123
  142    H    LEU  28           H        LEU  28  -6.691 -10.125   8.709
  143    HA   LEU  28           HA       LEU  28  -6.705  -9.471  11.413
  144    HB2  LEU  28           2HB      LEU  28  -5.303 -11.237  10.330
  145    HG   LEU  28           HG       LEU  28  -3.370 -11.193  11.585
  146   HD11  LEU  28          1HD1      LEU  28  -2.547  -8.917  10.893
  147   HD12  LEU  28          2HD1      LEU  28  -3.542  -8.227  12.198
  148   HD13  LEU  28          3HD1      LEU  28  -2.255  -9.369  12.579
  149   HD21  LEU  28          3HD2      LEU  28  -4.087 -10.707  13.836
  150   HD22  LEU  28          1HD2      LEU  28  -5.336  -9.589  13.266
  151   HD23  LEU  28          2HD2      LEU  28  -5.471 -11.330  12.917
  152    H    MET  29           H        MET  29  -4.696  -7.998   8.770
  153    HA   MET  29           HA       MET  29  -3.623  -6.044  10.547
  154    HB2  MET  29           2HB      MET  29  -2.630  -6.899   8.370
  155    HG2  MET  29           2HG      MET  29  -2.734  -3.918   8.988
  156    HE1  MET  29           3HE      MET  29   0.450  -5.950   6.330
  157    HE2  MET  29           1HE      MET  29   0.098  -6.485   7.989
  158    HE3  MET  29           2HE      MET  29  -1.110  -6.698   6.693
  159    H    MET  30           H        MET  30  -6.324  -5.993   8.190
  160    HA   MET  30           HA       MET  30  -7.074  -3.302   8.397
  161    HB2  MET  30           2HB      MET  30  -8.066  -4.850   6.810
  162    HG2  MET  30           2HG      MET  30  -9.415  -2.898   7.779
  163    HE1  MET  30           3HE      MET  30 -12.313  -6.102   9.500
  164    HE2  MET  30           1HE      MET  30 -11.765  -6.061   7.810
  165    HE3  MET  30           2HE      MET  30 -10.644  -6.539   9.113
  166    H    CYS  31           H        CYS  31  -8.187  -6.075  10.408
  167    HA   CYS  31           HA       CYS  31  -9.833  -4.586  12.149
  168    HB2  CYS  31           2HB      CYS  31  -9.945  -7.032  12.004
  169    HG   CYS  31           HG       CYS  31  -9.975  -7.796  14.517
  170    H    CYS  32           H        CYS  32  -6.453  -5.680  12.567
  171    HA   CYS  32           HA       CYS  32  -5.911  -4.540  15.068
  172    HB2  CYS  32           2HB      CYS  32  -4.423  -6.126  14.083
  173    HG   CYS  32           HG       CYS  32  -2.153  -5.357  14.612
  174    H    ARG  33           H        ARG  33  -5.567  -3.022  11.824
  175    HA   ARG  33           HA       ARG  33  -4.685  -0.496  12.986
  176    HB2  ARG  33           2HB      ARG  33  -4.594  -1.634  10.396
  177    HG2  ARG  33           2HG      ARG  33  -4.061   0.921   9.845
  178    HD2  ARG  33           2HD      ARG  33  -2.335  -0.596   9.640
  179    HE   ARG  33           HE       ARG  33  -2.927  -1.525  12.293
  180   HH11  ARG  33          1HH2      ARG  33  -0.238  -1.181   9.986
  181   HH12  ARG  33          2HH2      ARG  33   0.406  -2.764  10.269
  182   HH21  ARG  33          1HH1      ARG  33  -1.908  -3.501  12.903
  183   HH22  ARG  33          2HH1      ARG  33  -0.476  -4.044  12.074
  184    H    LYS  34           H        LYS  34  -7.736  -1.963  12.175
  185    HA   LYS  34           HA       LYS  34  -9.820  -1.344  11.986
  186    HB2  LYS  34           2HB      LYS  34  -9.136  -0.650  14.492
  187    HG2  LYS  34           2HG      LYS  34 -11.216  -1.698  13.932
  188    HD2  LYS  34           2HD      LYS  34 -12.108   1.054  12.936
  189    HE2  LYS  34           2HE      LYS  34 -14.254  -0.093  12.375
  190    HZ1  LYS  34           3HZ      LYS  34 -15.164  -0.074  14.522
  191    HZ2  LYS  34           1HZ      LYS  34 -13.707  -0.311  15.253
  192    HZ3  LYS  34           2HZ      LYS  34 -14.012   1.104  14.475
  193    H    MET  35           H        MET  35  -8.409  -0.522   9.927
  194    HA   MET  35           HA       MET  35  -8.854   2.344   9.443
  195    HB2  MET  35           2HB      MET  35  -7.877   1.930   7.206
  196    HG2  MET  35           2HG      MET  35  -6.426  -0.078   7.003
  197    HE1  MET  35           3HE      MET  35  -7.981  -2.453   4.490
  198    HE2  MET  35           1HE      MET  35  -6.513  -1.583   4.987
  199    HE3  MET  35           2HE      MET  35  -7.268  -2.752   6.091
  200    H    THR  36           H        THR  36 -11.225   1.104  10.087
  201    HA   THR  36           HA       THR  36 -12.857   1.408   7.656
  202    HB   THR  36           HB       THR  36 -13.864  -0.776   7.873
  203    HG1  THR  36           HG1      THR  36 -13.732  -1.063  10.038
  204   HG21  THR  36          1HG2      THR  36 -11.629  -0.678   6.588
  205   HG22  THR  36          2HG2      THR  36 -10.872  -1.283   8.068
  206   HG23  THR  36          3HG2      THR  36 -12.079  -2.270   7.228
  207    H    GLN  37           H        GLN  37 -12.629   3.033   9.964
  208    HA   GLN  37           HA       GLN  37 -14.401   2.421  12.043
  209    HB2  GLN  37           2HB      GLN  37 -13.438   5.025  10.859
  210    HG2  GLN  37           2HG      GLN  37 -12.009   3.461  12.384
  211   HE21  GLN  37          2HE2      GLN  37 -13.581   5.796  14.606
  212   HE22  GLN  37          1HE2      GLN  37 -14.045   4.605  15.801
  213    H    GLY  38           H        GLY  38 -15.214   4.021   8.964
  214    HA2  GLY  38           2HA      GLY  38 -18.115   4.026   9.714
  215    H    LYS  39           H        LYS  39 -16.013   3.316   6.873
  216    HA   LYS  39           HA       LYS  39 -17.463   0.862   6.345
  217    HB2  LYS  39           2HB      LYS  39 -17.600   1.347   3.878
  218    HG2  LYS  39           2HG      LYS  39 -18.100   3.672   3.254
  219    HD2  LYS  39           2HD      LYS  39 -15.186   3.550   4.109
  220    HE2  LYS  39           2HE      LYS  39 -15.996   5.545   2.823
  221    HZ1  LYS  39           3HZ      LYS  39 -16.370   5.192   0.470
  222    HZ2  LYS  39           1HZ      LYS  39 -16.341   3.560   0.657
  223    HZ3  LYS  39           2HZ      LYS  39 -17.549   4.449   1.333
  224    H    CYS  40           H        CYS  40 -16.202  -0.394   4.714
  225    HA   CYS  40           HA       CYS  40 -13.356  -0.097   5.422
  226    HB2  CYS  40           2HB      CYS  40 -13.277  -2.544   4.607
  227    H    LYS  41           H        LYS  41 -11.688  -0.713   3.904
  228    HA   LYS  41           HA       LYS  41 -11.931   0.955   1.577
  229    HB2  LYS  41           2HB      LYS  41  -9.772  -0.708   2.839
  230    HG2  LYS  41           2HG      LYS  41 -10.736   1.966   3.177
  231    HD2  LYS  41           2HD      LYS  41  -9.331   2.437   1.093
  232    HE2  LYS  41           2HE      LYS  41  -6.858   2.546   2.725
  233    HZ1  LYS  41           3HZ      LYS  41  -5.946   1.378   0.882
  234    HZ2  LYS  41           1HZ      LYS  41  -7.417   1.151   0.173
  235    HZ3  LYS  41           2HZ      LYS  41  -6.804   2.681   0.319
  236    HA   PRO  42           HA       PRO  42 -13.197  -2.600  -1.024
  237    HB2  PRO  42           2HB      PRO  42 -13.251  -1.292  -3.437
  238    HG2  PRO  42           2HG      PRO  42 -12.324   0.784  -2.713
  239    HD2  PRO  42           2HD      PRO  42 -12.255   1.362  -0.485
  240    H    VAL  43           H        VAL  43 -10.502  -0.333  -1.701
  241    HA   VAL  43           HA       VAL  43  -8.834  -2.652  -2.562
  242    HB   VAL  43           HB       VAL  43  -7.632  -1.042  -4.067
  243   HG11  VAL  43          1HG1      VAL  43  -9.063  -2.744  -4.998
  244   HG12  VAL  43          2HG1      VAL  43 -10.512  -1.738  -4.763
  245   HG13  VAL  43          3HG1      VAL  43  -9.260  -1.255  -5.925
  246   HG21  VAL  43          3HG2      VAL  43  -8.794   0.917  -4.932
  247   HG22  VAL  43          1HG2      VAL  43 -10.150   0.668  -3.822
  248   HG23  VAL  43          2HG2      VAL  43  -8.545   1.113  -3.195
  249    H    ASN  44           H        ASN  44  -6.955  -2.865  -1.456
  250    HA   ASN  44           HA       ASN  44  -5.549  -0.502  -0.564
  251    HB2  ASN  44           2HB      ASN  44  -7.127  -1.161   1.385
  252   HD21  ASN  44          2HD2      ASN  44  -4.458  -2.643   2.893
  253   HD22  ASN  44          1HD2      ASN  44  -3.563  -1.194   3.285
  254    H    THR  45           H        THR  45  -3.314  -1.286   0.377
  255    HA   THR  45           HA       THR  45  -2.589  -3.984  -0.420
  256    HB   THR  45           HB       THR  45  -1.121  -1.520  -1.431
  257    HG1  THR  45           HG1      THR  45  -2.800  -3.181  -3.019
  258   HG21  THR  45          1HG2      THR  45   0.371  -3.463  -1.172
  259   HG22  THR  45          2HG2      THR  45  -0.662  -4.401  -2.265
  260   HG23  THR  45          3HG2      THR  45   0.178  -2.969  -2.862
  261    H    PHE  46           H        PHE  46  -0.737  -4.637   0.836
  262    HA   PHE  46           HA       PHE  46   0.232  -2.694   2.853
  263    HB2  PHE  46           2HB      PHE  46   0.331  -5.650   3.323
  264    HD1  PHE  46           HD1      PHE  46  -1.859  -2.776   4.403
  265    HD2  PHE  46           HD2      PHE  46  -1.542  -6.995   3.632
  266    HE1  PHE  46           HE1      PHE  46  -4.164  -3.124   5.286
  267    HE2  PHE  46           HE2      PHE  46  -3.815  -7.334   4.432
  268    HZ   PHE  46           HZ       PHE  46  -5.176  -5.405   5.263
  269    H    VAL  47           H        VAL  47   2.571  -3.062   3.422
  270    HA   VAL  47           HA       VAL  47   4.146  -4.352   1.214
  271    HB   VAL  47           HB       VAL  47   5.098  -2.485   3.407
  272   HG11  VAL  47          1HG1      VAL  47   6.961  -3.709   2.613
  273   HG12  VAL  47          2HG1      VAL  47   6.452  -3.557   0.909
  274   HG13  VAL  47          3HG1      VAL  47   7.039  -2.151   1.812
  275   HG21  VAL  47          3HG2      VAL  47   5.225  -0.744   1.638
  276   HG22  VAL  47          1HG2      VAL  47   4.428  -1.847   0.500
  277   HG23  VAL  47          2HG2      VAL  47   3.565  -1.243   1.931
  278    H    HIS  48           H        HIS  48   6.053  -5.678   1.914
  279    HA   HIS  48           HA       HIS  48   6.013  -6.618   4.750
  280    HB2  HIS  48           2HB      HIS  48   5.998  -8.409   2.305
  281    HD1  HIS  48           HD1      HIS  48   4.745  -9.211   5.861
  282    HD2  HIS  48           HD2      HIS  48   3.353  -8.226   1.995
  283    HE1  HIS  48           HE1      HIS  48   2.194  -9.437   5.925
  284    HE2  HIS  48           HE2      HIS  48   1.391  -8.993   3.476
  285    H    GLU  49           H        GLU  49   7.761  -4.995   4.801
  286    HA   GLU  49           HA       GLU  49  10.322  -6.092   3.875
  287    HB2  GLU  49           2HB      GLU  49   8.938  -4.613   2.019
  288    HG2  GLU  49           2HG      GLU  49  11.001  -4.073   0.921
  289    H    SER  50           H        SER  50  11.760  -3.591   4.123
  290    HA   SER  50           HA       SER  50  11.651  -3.346   7.081
  291    HB2  SER  50           2HB      SER  50  13.875  -2.463   5.241
  292    HG   SER  50           HG       SER  50  14.759  -4.503   5.706
  293    H    LEU  51           H        LEU  51  10.951  -1.532   8.024
  294    HA   LEU  51           HA       LEU  51   9.635   0.518   6.780
  295    HB2  LEU  51           2HB      LEU  51   9.517  -0.076   9.186
  296    HG   LEU  51           HG       LEU  51  10.189   2.872   8.732
  297   HD11  LEU  51          1HD1      LEU  51   8.264   2.216   7.366
  298   HD12  LEU  51          2HD1      LEU  51   7.544   1.341   8.740
  299   HD13  LEU  51          3HD1      LEU  51   7.690   3.105   8.777
  300   HD21  LEU  51          3HD2      LEU  51   8.956   3.245  10.823
  301   HD22  LEU  51          1HD2      LEU  51   8.752   1.492  11.037
  302   HD23  LEU  51          2HD2      LEU  51  10.374   2.218  11.105
  303    H    ALA  52           H        ALA  52  13.002   0.745   7.990
  304    HA   ALA  52           HA       ALA  52  13.510   3.366   7.094
  305    HB1  ALA  52           3HB      ALA  52  15.893   2.745   7.282
  306    HB2  ALA  52           1HB      ALA  52  14.962   2.137   8.667
  307    HB3  ALA  52           2HB      ALA  52  15.450   1.027   7.364
  308    H    ASP  53           H        ASP  53  13.440   0.337   5.256
  309    HA   ASP  53           HA       ASP  53  14.976   1.450   3.028
  310    HB2  ASP  53           2HB      ASP  53  14.801  -1.044   3.669
  311    H    VAL  54           H        VAL  54  11.541   0.612   3.688
  312    HA   VAL  54           HA       VAL  54  10.398   1.813   1.355
  313    HB   VAL  54           HB       VAL  54   9.251   1.567   4.158
  314   HG11  VAL  54          1HG1      VAL  54   8.017   3.310   2.966
  315   HG12  VAL  54          2HG1      VAL  54   7.947   2.317   1.497
  316   HG13  VAL  54          3HG1      VAL  54   7.045   1.839   2.949
  317   HG21  VAL  54          3HG2      VAL  54   8.059  -0.370   3.122
  318   HG22  VAL  54          1HG2      VAL  54   8.957  -0.116   1.621
  319   HG23  VAL  54          2HG2      VAL  54   9.809  -0.605   3.096
  320    H    LYS  55           H        LYS  55  11.333   3.313   4.473
  321    HA   LYS  55           HA       LYS  55  10.527   5.910   3.816
  322    HB2  LYS  55           2HB      LYS  55  11.221   5.193   6.014
  323    HG2  LYS  55           2HG      LYS  55  11.351   7.678   5.076
  324    HD2  LYS  55           2HD      LYS  55  14.260   6.903   5.595
  325    HE2  LYS  55           2HE      LYS  55  14.758   9.358   5.636
  326    HZ1  LYS  55           3HZ      LYS  55  14.169   9.720   7.906
  327    HZ2  LYS  55           1HZ      LYS  55  13.057   8.511   7.887
  328    HZ3  LYS  55           2HZ      LYS  55  14.659   8.160   7.724
  329    H    ALA  56           H        ALA  56  13.756   4.395   3.343
  330    HA   ALA  56           HA       ALA  56  15.032   6.466   1.988
  331    HB1  ALA  56           3HB      ALA  56  16.560   4.774   1.131
  332    HB2  ALA  56           1HB      ALA  56  16.155   4.430   2.824
  333    HB3  ALA  56           2HB      ALA  56  15.414   3.480   1.519
  334    H    VAL  57           H        VAL  57  13.038   3.842   0.553
  335    HA   VAL  57           HA       VAL  57  13.259   4.355  -2.135
  336    HB   VAL  57           HB       VAL  57  10.857   3.475  -0.543
  337   HG11  VAL  57          1HG1      VAL  57   9.922   4.495  -2.504
  338   HG12  VAL  57          2HG1      VAL  57  11.133   3.756  -3.550
  339   HG13  VAL  57          3HG1      VAL  57   9.903   2.751  -2.737
  340   HG21  VAL  57          3HG2      VAL  57  11.418   1.295  -1.536
  341   HG22  VAL  57          1HG2      VAL  57  12.785   2.023  -2.409
  342   HG23  VAL  57          2HG2      VAL  57  12.811   1.922  -0.652
  343    H    CYS  58           H        CYS  58  11.232   6.301   0.185
  344    HA   CYS  58           HA       CYS  58  10.021   7.772  -1.985
  345    HB2  CYS  58           2HB      CYS  58   8.727   8.555  -0.429
  346    H    SER  59           H        SER  59  13.133   8.000  -0.399
  347    HA   SER  59           HA       SER  59  13.676  10.633  -1.672
  348    HB2  SER  59           2HB      SER  59  14.221   9.955   0.821
  349    HG   SER  59           HG       SER  59  16.167  11.065  -0.915
  350    H    GLN  60           H        GLN  60  13.454   7.772  -3.034
  351    HA   GLN  60           HA       GLN  60  16.268   7.359  -3.877
  352    HB2  GLN  60           2HB      GLN  60  14.862   5.628  -2.820
  353    HG2  GLN  60           2HG      GLN  60  15.432   3.834  -4.524
  354   HE21  GLN  60          2HE2      GLN  60  16.190   4.133  -2.015
  355   HE22  GLN  60          1HE2      GLN  60  17.936   4.269  -1.888
  356    H    LYS  61           H        LYS  61  13.754   6.280  -6.054
  357    HA   LYS  61           HA       LYS  61  14.815   8.159  -8.120
  358    HB2  LYS  61           2HB      LYS  61  15.392   5.760  -8.321
  359    HG2  LYS  61           2HG      LYS  61  13.489   6.827 -10.466
  360    HD2  LYS  61           2HD      LYS  61  14.947   5.477 -11.980
  361    HE2  LYS  61           2HE      LYS  61  13.512   3.763  -9.879
  362    HZ1  LYS  61           3HZ      LYS  61  13.051   2.383 -11.733
  363    HZ2  LYS  61           1HZ      LYS  61  13.987   3.284 -12.740
  364    HZ3  LYS  61           2HZ      LYS  61  14.679   2.458 -11.483
  365    H    LYS  62           H        LYS  62  13.302   9.830  -8.020
  366    HA   LYS  62           HA       LYS  62  10.525   9.688  -7.827
  367    HB2  LYS  62           2HB      LYS  62  12.138  11.683  -7.845
  368    HG2  LYS  62           2HG      LYS  62   9.738  12.088  -7.652
  369    HD2  LYS  62           2HD      LYS  62   9.801  11.930 -10.694
  370    HE2  LYS  62           2HE      LYS  62   7.442  12.886 -10.547
  371    HZ1  LYS  62           3HZ      LYS  62   8.139  15.157 -10.629
  372    HZ2  LYS  62           1HZ      LYS  62   9.600  14.803  -9.963
  373    HZ3  LYS  62           2HZ      LYS  62   9.203  14.215 -11.449
  374    H    VAL  63           H        VAL  63   8.901   9.021  -9.272
  375    HA   VAL  63           HA       VAL  63   9.556   8.838 -12.163
  376    HB   VAL  63           HB       VAL  63   8.238   6.822 -12.423
  377   HG11  VAL  63          1HG1      VAL  63  10.706   6.687 -12.139
  378   HG12  VAL  63          2HG1      VAL  63  10.469   6.358 -10.410
  379   HG13  VAL  63          3HG1      VAL  63   9.861   5.217 -11.627
  380   HG21  VAL  63          3HG2      VAL  63   7.615   5.379 -10.527
  381   HG22  VAL  63          1HG2      VAL  63   8.113   6.636  -9.378
  382   HG23  VAL  63          2HG2      VAL  63   6.747   6.906 -10.483
  383    H    THR  64           H        THR  64   7.787   9.347 -13.528
  384    HA   THR  64           HA       THR  64   5.816  11.107 -12.312
  385    HB   THR  64           HB       THR  64   6.063  10.087 -15.167
  386    HG1  THR  64           HG1      THR  64   7.278  11.986 -15.443
  387   HG21  THR  64          1HG2      THR  64   3.891  11.201 -14.658
  388   HG22  THR  64          2HG2      THR  64   4.762  12.597 -13.989
  389   HG23  THR  64          3HG2      THR  64   4.888  12.209 -15.717
  390    H    CYS  65           H        CYS  65   4.385   9.917 -10.998
  391    HA   CYS  65           HA       CYS  65   3.246   7.403 -11.746
  392    HB2  CYS  65           2HB      CYS  65   2.438   9.537  -9.750
  393    H    LYS  66           H        LYS  66   0.945   7.028 -12.240
  394    HA   LYS  66           HA       LYS  66   0.467   7.988 -14.820
  395    HB2  LYS  66           2HB      LYS  66  -0.298   5.819 -13.760
  396    HG2  LYS  66           2HG      LYS  66  -2.370   7.454 -15.304
  397    HD2  LYS  66           2HD      LYS  66  -3.077   5.196 -16.121
  398    HE2  LYS  66           2HE      LYS  66  -3.466   5.593 -13.105
  399    HZ1  LYS  66           3HZ      LYS  66  -5.556   4.558 -13.517
  400    HZ2  LYS  66           1HZ      LYS  66  -5.198   4.307 -15.101
  401    HZ3  LYS  66           2HZ      LYS  66  -4.341   3.529 -13.925
  402    H    ASP  67           H        ASP  67  -0.608   9.333 -11.745
  403    HA   ASP  67           HA       ASP  67  -2.783  10.934 -12.822
  404    HB2  ASP  67           2HB      ASP  67  -2.867  11.854 -10.594
  405    H    GLY  68           H        GLY  68   0.656  11.131 -12.821
  406    HA2  GLY  68           2HA      GLY  68   2.140  12.755 -13.382
  407    H    GLN  69           H        GLN  69   0.928  12.426 -10.674
  408    HA   GLN  69           HA       GLN  69   1.752  15.012  -9.545
  409    HB2  GLN  69           2HB      GLN  69  -0.878  14.846 -10.185
  410    HG2  GLN  69           2HG      GLN  69  -1.316  16.021  -7.857
  411   HE21  GLN  69          2HE2      GLN  69   0.635  16.411 -10.871
  412   HE22  GLN  69          1HE2      GLN  69   0.162  18.082 -11.057
  413    H    THR  70           H        THR  70   0.323  14.065  -7.051
  414    HA   THR  70           HA       THR  70   1.183  13.390  -5.091
  415    HB   THR  70           HB       THR  70  -0.478  11.760  -5.927
  416    HG1  THR  70           HG1      THR  70   1.600  10.860  -4.252
  417   HG21  THR  70          1HG2      THR  70   0.921  10.636  -7.716
  418   HG22  THR  70          2HG2      THR  70   1.847   9.857  -6.426
  419   HG23  THR  70          3HG2      THR  70   0.117   9.539  -6.593
  420    H    ASN  71           H        ASN  71   3.389  14.114  -6.704
  421    HA   ASN  71           HA       ASN  71   5.530  13.360  -7.362
  422    HB2  ASN  71           2HB      ASN  71   6.984  14.502  -5.848
  423   HD21  ASN  71          2HD2      ASN  71   7.686  14.452  -3.733
  424   HD22  ASN  71          1HD2      ASN  71   6.582  14.446  -2.359
  425    H    CYS  72           H        CYS  72   5.366  11.120  -7.601
  426    HA   CYS  72           HA       CYS  72   6.032   9.488  -5.272
  427    HB2  CYS  72           2HB      CYS  72   4.871   7.755  -6.314
  428    H    TYR  73           H        TYR  73   7.316   7.629  -5.392
  429    HA   TYR  73           HA       TYR  73   9.621   7.774  -7.247
  430    HB2  TYR  73           2HB      TYR  73   9.581   7.618  -4.210
  431    HD1  TYR  73           HD1      TYR  73   8.661  10.120  -4.733
  432    HD2  TYR  73           HD2      TYR  73  12.664   8.724  -5.251
  433    HE1  TYR  73           HE1      TYR  73   9.464  12.461  -4.749
  434    HE2  TYR  73           HE2      TYR  73  13.508  11.043  -5.190
  435    HH   TYR  73           HH       TYR  73  12.933  13.270  -4.969
  436    H    GLN  74           H        GLN  74  10.503   5.863  -7.761
  437    HA   GLN  74           HA       GLN  74   8.865   3.446  -7.255
  438    HB2  GLN  74           2HB      GLN  74   9.250   4.019  -9.574
  439    HG2  GLN  74           2HG      GLN  74  11.150   1.748  -8.886
  440   HE21  GLN  74          2HE2      GLN  74   8.350   1.592 -11.053
  441   HE22  GLN  74          1HE2      GLN  74   9.299   1.440 -12.510
  442    H    SER  75           H        SER  75   9.609   1.789  -6.018
  443    HA   SER  75           HA       SER  75  12.005   1.985  -4.532
  444    HB2  SER  75           2HB      SER  75  11.470  -0.301  -3.788
  445    HG   SER  75           HG       SER  75  10.889  -1.271  -5.745
  446    H    LYS  76           H        LYS  76  14.015   1.191  -4.723
  447    HA   LYS  76           HA       LYS  76  15.342   1.124  -7.112
  448    HB2  LYS  76           2HB      LYS  76  17.163   0.003  -5.891
  449    HG2  LYS  76           2HG      LYS  76  15.041  -0.454  -3.781
  450    HD2  LYS  76           2HD      LYS  76  18.016  -0.036  -3.287
  451    HE2  LYS  76           2HE      LYS  76  15.833  -1.542  -1.847
  452    HZ1  LYS  76           3HZ      LYS  76  16.860  -1.289   0.224
  453    HZ2  LYS  76           1HZ      LYS  76  17.933  -0.148  -0.337
  454    HZ3  LYS  76           2HZ      LYS  76  16.274   0.077  -0.256
  455    H    SER  77           H        SER  77  14.230  -1.741  -5.315
  456    HA   SER  77           HA       SER  77  14.574  -3.496  -7.697
  457    HB2  SER  77           2HB      SER  77  14.832  -5.233  -5.897
  458    HG   SER  77           HG       SER  77  13.720  -4.367  -4.178
  459    H    THR  78           H        THR  78  12.938  -5.537  -7.093
  460    HA   THR  78           HA       THR  78  10.227  -4.526  -6.742
  461    HB   THR  78           HB       THR  78   9.866  -7.077  -6.590
  462    HG1  THR  78           HG1      THR  78  11.672  -8.286  -7.272
  463   HG21  THR  78          1HG2      THR  78   9.663  -5.673  -8.729
  464   HG22  THR  78          2HG2      THR  78  11.350  -6.064  -9.079
  465   HG23  THR  78          3HG2      THR  78  10.135  -7.359  -9.009
  466    H    MET  79           H        MET  79   9.023  -4.952  -4.756
  467    HA   MET  79           HA       MET  79  10.504  -5.981  -2.435
  468    HB2  MET  79           2HB      MET  79   8.821  -3.422  -2.440
  469    HG2  MET  79           2HG      MET  79  11.157  -2.928  -3.110
  470    HE1  MET  79           3HE      MET  79  14.510  -3.183  -0.971
  471    HE2  MET  79           1HE      MET  79  13.700  -2.339  -2.327
  472    HE3  MET  79           2HE      MET  79  13.196  -2.029  -0.642
  473    H    ARG  80           H        ARG  80   8.891  -6.647  -0.782
  474    HA   ARG  80           HA       ARG  80   6.867  -8.233  -2.227
  475    HB2  ARG  80           2HB      ARG  80   8.068  -8.268   0.539
  476    HG2  ARG  80           2HG      ARG  80   8.511 -10.601  -0.042
  477    HD2  ARG  80           2HD      ARG  80   9.802 -10.506  -2.096
  478    HE   ARG  80           HE       ARG  80  10.264  -8.147  -0.227
  479   HH11  ARG  80          1HH2      ARG  80  11.716 -10.507  -2.438
  480   HH12  ARG  80          2HH2      ARG  80  13.284 -10.443  -1.700
  481   HH21  ARG  80          1HH1      ARG  80  12.302  -8.124   0.792
  482   HH22  ARG  80          2HH1      ARG  80  13.653  -8.994   0.131
  483    H    ILE  81           H        ILE  81   4.685  -7.788  -2.263
  484    HA   ILE  81           HA       ILE  81   3.550  -6.121  -0.111
  485    HB   ILE  81           HB       ILE  81   2.035  -5.057  -1.763
  486   HG12  ILE  81          2HG1      ILE  81   2.600  -6.689  -3.635
  487   HG21  ILE  81          1HG2      ILE  81   3.734  -3.711  -0.799
  488   HG22  ILE  81          2HG2      ILE  81   4.955  -4.304  -1.944
  489   HG23  ILE  81          3HG2      ILE  81   3.582  -3.304  -2.499
  490   HD11  ILE  81          3HD1      ILE  81   4.195  -5.948  -5.286
  491   HD12  ILE  81          1HD1      ILE  81   4.630  -4.512  -4.356
  492   HD13  ILE  81          2HD1      ILE  81   5.100  -6.117  -3.790
  493    H    THR  82           H        THR  82   1.381  -6.336   0.196
  494    HA   THR  82           HA       THR  82   0.096  -8.855  -0.765
  495    HB   THR  82           HB       THR  82   0.004  -7.467   1.948
  496    HG1  THR  82           HG1      THR  82   0.874 -10.005   1.033
  497   HG21  THR  82          1HG2      THR  82  -2.238  -8.187   1.474
  498   HG22  THR  82          2HG2      THR  82  -1.658  -9.742   0.839
  499   HG23  THR  82          3HG2      THR  82  -1.526  -9.378   2.575
  500    H    ASP  83           H        ASP  83  -1.197  -7.982  -2.412
  501    HA   ASP  83           HA       ASP  83  -2.570  -5.427  -2.036
  502    HB2  ASP  83           2HB      ASP  83  -1.987  -6.428  -4.323
  503    H    CYS  84           H        CYS  84  -4.815  -5.222  -1.537
  504    HA   CYS  84           HA       CYS  84  -6.144  -7.570  -0.290
  505    HB2  CYS  84           2HB      CYS  84  -4.846  -6.408   1.509
  506    H    ARG  85           H        ARG  85  -8.089  -7.661  -1.378
  507    HA   ARG  85           HA       ARG  85  -9.376  -5.050  -2.087
  508    HB2  ARG  85           2HB      ARG  85  -8.129  -6.239  -4.004
  509    HG2  ARG  85           2HG      ARG  85 -11.134  -6.026  -4.406
  510    HD2  ARG  85           2HD      ARG  85  -8.928  -5.215  -6.278
  511    HE   ARG  85           HE       ARG  85 -11.723  -4.692  -6.138
  512   HH11  ARG  85          1HH2      ARG  85  -9.394  -5.863  -8.487
  513   HH12  ARG  85          2HH2      ARG  85 -10.321  -5.426  -9.892
  514   HH21  ARG  85          1HH1      ARG  85 -12.998  -4.078  -7.934
  515   HH22  ARG  85          2HH1      ARG  85 -12.447  -4.357  -9.555
  516    H    GLU  86           H        GLU  86 -11.653  -5.156  -2.459
  517    HA   GLU  86           HA       GLU  86 -13.160  -7.016  -0.851
  518    HB2  GLU  86           2HB      GLU  86 -15.091  -5.934  -2.008
  519    HG2  GLU  86           2HG      GLU  86 -13.055  -4.208  -3.463
  520    H    THR  87           H        THR  87 -14.107  -8.911  -1.487
  521    HA   THR  87           HA       THR  87 -14.130  -9.764  -4.337
  522    HB   THR  87           HB       THR  87 -15.220 -11.772  -3.516
  523    HG1  THR  87           HG1      THR  87 -15.607 -11.965  -1.256
  524   HG21  THR  87          1HG2      THR  87 -12.720 -11.576  -3.270
  525   HG22  THR  87          2HG2      THR  87 -12.981 -11.020  -1.598
  526   HG23  THR  87          3HG2      THR  87 -13.462 -12.662  -2.072
  527    H    GLY  88           H        GLY  88 -16.537 -10.552  -5.000
  528    HA2  GLY  88           2HA      GLY  88 -18.187  -8.166  -5.014
  529    H    SER  89           H        SER  89 -18.027  -8.659  -2.345
  530    HA   SER  89           HA       SER  89 -20.816  -9.166  -1.613
  531    HB2  SER  89           2HB      SER  89 -18.614 -10.907  -0.410
  532    HG   SER  89           HG       SER  89 -20.304 -11.305  -2.529
  533    H    SER  90           H        SER  90 -18.642  -6.965  -1.538
  534    HA   SER  90           HA       SER  90 -17.730  -6.641   1.116
  535    HB2  SER  90           2HB      SER  90 -17.440  -4.205  -0.200
  536    HG   SER  90           HG       SER  90 -17.126  -4.700  -2.312
  537    H    LYS  91           H        LYS  91 -19.519  -6.844   2.497
  538    HA   LYS  91           HA       LYS  91 -21.561  -4.634   2.439
  539    HB2  LYS  91           2HB      LYS  91 -21.741  -7.601   3.111
  540    HG2  LYS  91           2HG      LYS  91 -23.225  -5.841   1.093
  541    HD2  LYS  91           2HD      LYS  91 -24.078  -8.042   0.256
  542    HE2  LYS  91           2HE      LYS  91 -24.868  -7.540   3.175
  543    HZ1  LYS  91           3HZ      LYS  91 -26.972  -8.358   2.457
  544    HZ2  LYS  91           1HZ      LYS  91 -26.413  -8.671   0.945
  545    HZ3  LYS  91           2HZ      LYS  91 -25.827  -9.514   2.235
  546    H    TYR  92           H        TYR  92 -19.910  -3.481   3.808
  547    HA   TYR  92           HA       TYR  92 -18.832  -4.242   6.201
  548    HB2  TYR  92           2HB      TYR  92 -18.444  -2.049   5.302
  549    HD1  TYR  92           HD2      TYR  92 -21.264  -1.003   7.476
  550    HD2  TYR  92           HD1      TYR  92 -17.041  -1.835   7.316
  551    HE1  TYR  92           HE2      TYR  92 -20.980   0.019   9.705
  552    HE2  TYR  92           HE1      TYR  92 -16.739  -0.608   9.461
  553    HH   TYR  92           HH       TYR  92 -19.432   0.795  11.270
  554    HA   PRO  93           HA       PRO  93 -18.502  -4.210   8.400
  555    HB2  PRO  93           2HB      PRO  93 -18.731  -5.845  10.498
  556    HG2  PRO  93           2HG      PRO  93 -20.968  -6.591  10.046
  557    HD2  PRO  93           2HD      PRO  93 -22.444  -5.254   8.769
  558    H    ASN  94           H        ASN  94 -20.430  -6.574   6.848
  559    HA   ASN  94           HA       ASN  94 -18.468  -8.774   6.944
  560    HB2  ASN  94           2HB      ASN  94 -21.180  -8.346   5.718
  561   HD21  ASN  94          2HD2      ASN  94 -20.653  -8.870   8.372
  562   HD22  ASN  94          1HD2      ASN  94 -20.988 -10.566   8.692
  563    H    CYS  95           H        CYS  95 -16.839  -7.150   6.621
  564    HA   CYS  95           HA       CYS  95 -16.418  -5.920   4.024
  565    HB2  CYS  95           2HB      CYS  95 -14.707  -6.344   6.475
  566    H    ALA  96           H        ALA  96 -16.631  -7.596   2.664
  567    HA   ALA  96           HA       ALA  96 -15.461 -10.135   2.847
  568    HB1  ALA  96           3HB      ALA  96 -16.392 -10.363   0.583
  569    HB2  ALA  96           1HB      ALA  96 -17.500  -9.433   1.605
  570    HB3  ALA  96           2HB      ALA  96 -16.488  -8.597   0.410
  571    H    TYR  97           H        TYR  97 -13.144  -9.197   3.351
  572    HA   TYR  97           HA       TYR  97 -11.690  -8.279   1.019
  573    HB2  TYR  97           2HB      TYR  97 -10.907  -8.848   3.884
  574    HD1  TYR  97           HD1      TYR  97 -10.105  -6.231   1.315
  575    HD2  TYR  97           HD2      TYR  97 -12.007  -7.063   5.090
  576    HE1  TYR  97           HE1      TYR  97  -9.825  -3.863   1.983
  577    HE2  TYR  97           HE2      TYR  97 -12.015  -4.650   5.612
  578    HH   TYR  97           HH       TYR  97 -10.877  -2.680   5.190
  579    H    LYS  98           H        LYS  98 -10.171  -9.275  -0.181
  580    HA   LYS  98           HA       LYS  98  -9.215 -12.028   0.417
  581    HB2  LYS  98           2HB      LYS  98 -11.005 -11.966  -1.303
  582    HG2  LYS  98           2HG      LYS  98  -9.508 -13.805  -1.612
  583    HD2  LYS  98           2HD      LYS  98  -7.792 -11.755  -3.077
  584    HE2  LYS  98           2HE      LYS  98  -7.640 -14.797  -3.305
  585    HZ1  LYS  98           3HZ      LYS  98  -5.595 -14.395  -4.447
  586    HZ2  LYS  98           1HZ      LYS  98  -5.731 -12.755  -4.304
  587    HZ3  LYS  98           2HZ      LYS  98  -5.507 -13.636  -2.973
  588    H    THR  99           H        THR  99  -7.003 -12.117   0.390
  589    HA   THR  99           HA       THR  99  -5.538  -9.717  -0.478
  590    HB   THR  99           HB       THR  99  -5.453 -11.188   1.915
  591    HG1  THR  99           HG1      THR  99  -4.828  -9.191   2.115
  592   HG21  THR  99          1HG2      THR  99  -3.927 -12.869   0.864
  593   HG22  THR  99          2HG2      THR  99  -2.839 -11.554   0.390
  594   HG23  THR  99          3HG2      THR  99  -3.109 -11.881   2.094
  595    H    THR 100           H        THR 100  -3.595  -9.893  -1.736
  596    HA   THR 100           HA       THR 100  -2.918 -12.541  -2.918
  597    HB   THR 100           HB       THR 100  -3.249  -9.986  -4.547
  598    HG1  THR 100           HG1      THR 100  -5.194 -10.581  -4.994
  599   HG21  THR 100          1HG2      THR 100  -1.606 -11.622  -5.460
  600   HG22  THR 100          2HG2      THR 100  -2.834 -12.900  -5.390
  601   HG23  THR 100          3HG2      THR 100  -3.046 -11.516  -6.481
  602    H    GLN 101           H        GLN 101  -0.709 -12.835  -2.614
  603    HA   GLN 101           HA       GLN 101   0.967 -10.528  -1.902
  604    HB2  GLN 101           2HB      GLN 101   1.068 -12.776  -0.766
  605    HG2  GLN 101           2HG      GLN 101   2.861 -11.113  -0.491
  606   HE21  GLN 101          2HE2      GLN 101   3.656 -13.417  -3.197
  607   HE22  GLN 101          1HE2      GLN 101   5.053 -12.525  -3.751
  608    H    VAL 102           H        VAL 102   2.441  -9.567  -3.329
  609    HA   VAL 102           HA       VAL 102   3.425 -11.073  -5.586
  610    HB   VAL 102           HB       VAL 102   3.000  -9.337  -7.271
  611   HG11  VAL 102          1HG1      VAL 102   1.535 -11.337  -7.164
  612   HG12  VAL 102          2HG1      VAL 102   0.354 -10.375  -6.236
  613   HG13  VAL 102          3HG1      VAL 102   0.772  -9.914  -7.891
  614   HG21  VAL 102          3HG2      VAL 102   1.187  -7.672  -6.961
  615   HG22  VAL 102          1HG2      VAL 102   1.062  -8.124  -5.250
  616   HG23  VAL 102          2HG2      VAL 102   2.548  -7.380  -5.879
  617    H    GLU 103           H        GLU 103   5.315 -10.057  -6.488
  618    HA   GLU 103           HA       GLU 103   6.688  -8.192  -4.615
  619    HB2  GLU 103           2HB      GLU 103   8.736  -9.491  -5.261
  620    HG2  GLU 103           2HG      GLU 103   7.812 -10.844  -7.160
  621    H    LYS 104           H        LYS 104   6.594  -6.253  -5.652
  622    HA   LYS 104           HA       LYS 104   7.422  -6.037  -8.509
  623    HB2  LYS 104           2HB      LYS 104   4.748  -5.392  -7.329
  624    HG2  LYS 104           2HG      LYS 104   4.068  -5.682  -9.682
  625    HD2  LYS 104           2HD      LYS 104   5.572  -8.202  -8.904
  626    HE2  LYS 104           2HE      LYS 104   3.346  -9.179  -9.573
  627    HZ1  LYS 104           3HZ      LYS 104   3.596  -8.779 -11.910
  628    HZ2  LYS 104           1HZ      LYS 104   4.580  -7.487 -11.642
  629    HZ3  LYS 104           2HZ      LYS 104   5.071  -9.000 -11.218
  630    H    HIS 105           H        HIS 105   7.712  -3.612  -9.004
  631    HA   HIS 105           HA       HIS 105   9.341  -2.440  -6.876
  632    HB2  HIS 105           2HB      HIS 105   8.305  -0.928  -9.292
  633    HD1  HIS 105           HD1      HIS 105   8.611  -2.873 -11.058
  634    HD2  HIS 105           HD2      HIS 105  12.024  -1.686  -8.873
  635    HE1  HIS 105           HE1      HIS 105  10.673  -3.832 -12.323
  636    HE2  HIS 105           HE2      HIS 105  12.737  -3.088 -10.966
  637    H    ILE 106           H        ILE 106   8.399  -1.330  -5.153
  638    HA   ILE 106           HA       ILE 106   5.524  -0.661  -5.313
  639    HB   ILE 106           HB       ILE 106   5.733   0.087  -3.041
  640   HG12  ILE 106          2HG1      ILE 106   8.625  -0.836  -3.078
  641   HG21  ILE 106          1HG2      ILE 106   5.241  -2.280  -3.692
  642   HG22  ILE 106          2HG2      ILE 106   6.940  -2.692  -3.472
  643   HG23  ILE 106          3HG2      ILE 106   5.964  -2.167  -2.082
  644   HD11  ILE 106          3HD1      ILE 106   8.656   0.133  -0.781
  645   HD12  ILE 106          1HD1      ILE 106   6.887   0.266  -0.833
  646   HD13  ILE 106          2HD1      ILE 106   7.674  -1.333  -0.891
  647    H    ILE 107           H        ILE 107   4.713   1.378  -5.575
  648    HA   ILE 107           HA       ILE 107   6.676   3.515  -6.220
  649    HB   ILE 107           HB       ILE 107   3.849   3.217  -7.247
  650   HG12  ILE 107          2HG1      ILE 107   5.024   1.234  -8.042
  651   HG21  ILE 107          1HG2      ILE 107   4.785   5.465  -7.344
  652   HG22  ILE 107          2HG2      ILE 107   6.240   4.877  -8.159
  653   HG23  ILE 107          3HG2      ILE 107   4.666   4.789  -8.981
  654   HD11  ILE 107          3HD1      ILE 107   6.810   1.336  -9.612
  655   HD12  ILE 107          1HD1      ILE 107   6.988   3.089  -9.396
  656   HD13  ILE 107          2HD1      ILE 107   7.337   1.970  -8.046
  657    H    VAL 108           H        VAL 108   6.703   5.031  -4.534
  658    HA   VAL 108           HA       VAL 108   4.137   5.457  -3.056
  659    HB   VAL 108           HB       VAL 108   5.210   5.608  -0.961
  660   HG11  VAL 108          1HG1      VAL 108   4.540   3.387  -1.902
  661   HG12  VAL 108          2HG1      VAL 108   6.245   3.062  -2.250
  662   HG13  VAL 108          3HG1      VAL 108   5.711   3.321  -0.571
  663   HG21  VAL 108          3HG2      VAL 108   7.625   5.058  -0.639
  664   HG22  VAL 108          1HG2      VAL 108   7.828   5.153  -2.407
  665   HG23  VAL 108          2HG2      VAL 108   7.350   6.587  -1.483
  666    H    ALA 109           H        ALA 109   3.785   7.393  -2.071
  667    HA   ALA 109           HA       ALA 109   4.677   9.685  -3.664
  668    HB1  ALA 109           3HB      ALA 109   2.826  10.797  -2.490
  669    HB2  ALA 109           1HB      ALA 109   2.296   9.221  -3.160
  670    HB3  ALA 109           2HB      ALA 109   2.688   9.389  -1.434
  671    H    CYS 110           H        CYS 110   6.215  11.182  -2.814
  672    HA   CYS 110           HA       CYS 110   7.215  10.582  -0.056
  673    HB2  CYS 110           2HB      CYS 110   8.717  10.339  -2.053
  674    H    GLY 111           H        GLY 111   7.823  12.389   1.431
  675    HA2  GLY 111           2HA      GLY 111   7.570  15.091   0.609
  676    H    GLY 112           H        GLY 112   6.538  16.278   2.816
  677    HA2  GLY 112           2HA      GLY 112   7.113  17.156   4.843
  678    H    LYS 113           H        LYS 113   9.435  17.572   3.926
  679    HA   LYS 113           HA       LYS 113  11.468  15.865   4.192
  680    HB2  LYS 113           2HB      LYS 113  12.098  18.699   4.859
  681    HG2  LYS 113           2HG      LYS 113  11.252  17.523   2.171
  682    HD2  LYS 113           2HD      LYS 113  13.436  18.572   1.840
  683    HE2  LYS 113           2HE      LYS 113  12.123  21.066   3.048
  684    HZ1  LYS 113           3HZ      LYS 113  14.232  22.095   2.621
  685    HZ2  LYS 113           1HZ      LYS 113  14.810  20.754   1.871
  686    HZ3  LYS 113           2HZ      LYS 113  13.570  21.606   1.199
  687    HA   PRO 114           HA       PRO 114  13.879  15.664   5.055
  688    HB2  PRO 114           2HB      PRO 114  14.838  13.402   6.391
  689    HG2  PRO 114           2HG      PRO 114  13.121  13.427   8.079
  690    HD2  PRO 114           2HD      PRO 114  12.008  15.422   8.654
  691    H    SER 115           H        SER 115  13.864  13.810   3.460
  692    HA   SER 115           HA       SER 115  11.276  13.479   2.638
  693    HB2  SER 115           2HB      SER 115  12.617  11.615   1.190
  694    HG   SER 115           HG       SER 115  14.786  12.190   1.140
  695    H    VAL 116           H        VAL 116   9.641  12.352   3.538
  696    HA   VAL 116           HA       VAL 116  10.097   9.483   4.169
  697    HB   VAL 116           HB       VAL 116   8.465   9.757   6.036
  698   HG11  VAL 116          1HG1      VAL 116  10.804   9.598   6.595
  699   HG12  VAL 116          2HG1      VAL 116  11.093  11.293   6.226
  700   HG13  VAL 116          3HG1      VAL 116  10.095  10.870   7.612
  701   HG21  VAL 116          3HG2      VAL 116   8.008  11.982   6.940
  702   HG22  VAL 116          1HG2      VAL 116   8.974  12.738   5.666
  703   HG23  VAL 116          2HG2      VAL 116   7.456  11.933   5.256
  704    HA   PRO 117           HA       PRO 117   6.670   9.272   1.420
  705    HB2  PRO 117           2HB      PRO 117   5.798   6.703   1.636
  706    HG2  PRO 117           2HG      PRO 117   7.016   5.892   3.485
  707    HD2  PRO 117           2HD      PRO 117   8.242   7.502   4.657
  708    H    VAL 118           H        VAL 118   4.490   9.569   1.307
  709    HA   VAL 118           HA       VAL 118   2.933   9.391   3.871
  710    HB   VAL 118           HB       VAL 118   1.970  11.567   3.445
  711   HG11  VAL 118          1HG1      VAL 118   4.046  11.478   4.752
  712   HG12  VAL 118          2HG1      VAL 118   5.005  11.768   3.284
  713   HG13  VAL 118          3HG1      VAL 118   3.879  13.002   3.873
  714   HG21  VAL 118          3HG2      VAL 118   2.815  13.051   1.649
  715   HG22  VAL 118          1HG2      VAL 118   3.832  11.747   1.016
  716   HG23  VAL 118          2HG2      VAL 118   2.060  11.613   0.953
  717    H    HIS 119           H        HIS 119   2.960   8.420   0.621
  718    HA   HIS 119           HA       HIS 119   0.205   7.517   0.836
  719    HB2  HIS 119           2HB      HIS 119   0.689   9.972  -0.560
  720    HD1  HIS 119           HD1      HIS 119  -1.748   9.467  -2.716
  721    HD2  HIS 119           HD2      HIS 119  -1.598   9.075   1.490
  722    HE1  HIS 119           HE1      HIS 119  -4.137   9.877  -1.855
  723    HE2  HIS 119           HE2      HIS 119  -4.034   9.627   0.700
  724    H    PHE 120           H        PHE 120  -0.267   6.109  -1.164
  725    HA   PHE 120           HA       PHE 120   2.217   4.844  -2.223
  726    HB2  PHE 120           2HB      PHE 120   0.626   3.574  -0.460
  727    HD1  PHE 120           HD2      PHE 120   2.829   2.624  -0.063
  728    HD2  PHE 120           HD1      PHE 120   0.635   1.790  -3.689
  729    HE1  PHE 120           HE2      PHE 120   4.207   0.604  -0.435
  730    HE2  PHE 120           HE1      PHE 120   1.985  -0.269  -4.000
  731    HZ   PHE 120           HZ       PHE 120   3.694  -0.907  -2.350
  732    H    ASP 121           H        ASP 121   2.130   4.657  -4.480
  733    HA   ASP 121           HA       ASP 121  -0.356   5.513  -5.885
  734    HB2  ASP 121           2HB      ASP 121   1.571   6.465  -6.818
  735    H    ALA 122           H        ALA 122   1.989   2.793  -6.282
  736    HA   ALA 122           HA       ALA 122   0.041   0.686  -6.162
  737    HB1  ALA 122           3HB      ALA 122  -0.069   0.194  -8.583
  738    HB2  ALA 122           1HB      ALA 122  -0.694   1.819  -8.303
  739    HB3  ALA 122           2HB      ALA 122   0.948   1.609  -8.937
  740    H    SER 123           H        SER 123   1.379  -1.121  -7.929
  741    HA   SER 123           HA       SER 123   4.219  -0.835  -7.319
  742    HB2  SER 123           2HB      SER 123   2.790  -3.444  -6.720
  743    HG   SER 123           HG       SER 123   3.014  -2.901  -4.544
  744    H    VAL 124           H        VAL 124   5.425  -1.438  -9.117
  745    HA   VAL 124           HA       VAL 124   4.696  -3.760 -10.530
  746    HB   VAL 124           HB       VAL 124   3.278  -1.774 -11.609
  747   HG11  VAL 124          1HG1      VAL 124   5.222  -0.488 -12.429
  748   HG12  VAL 124          2HG1      VAL 124   5.698  -1.881 -13.436
  749   HG13  VAL 124          3HG1      VAL 124   4.155  -1.059 -13.722
  750   HG21  VAL 124          3HG2      VAL 124   3.053  -3.300 -13.552
  751   HG22  VAL 124          1HG2      VAL 124   4.495  -4.187 -13.004
  752   HG23  VAL 124          2HG2      VAL 124   3.027  -4.160 -12.009
  Start of MODEL    5
    1    HA   LYS   1           HA       LYS   1   4.963  12.716  17.695
    2    HB2  LYS   1           2HB      LYS   1   7.451  13.089  15.959
    3    HG2  LYS   1           2HG      LYS   1   6.015  14.974  17.887
    4    HD2  LYS   1           2HD      LYS   1   8.716  15.229  16.489
    5    HE2  LYS   1           2HE      LYS   1   7.021  17.233  18.075
    6    HZ1  LYS   1           2HZ      LYS   1   8.360  18.261  16.356
    7    HZ2  LYS   1           3HZ      LYS   1   8.910  18.652  17.852
    8    HZ3  LYS   1           1HZ      LYS   1   9.726  17.552  16.947
    9    H    GLU   2           H        GLU   2   3.250  12.459  16.148
   10    HA   GLU   2           HA       GLU   2   3.617  10.239  14.243
   11    HB2  GLU   2           2HB      GLU   2   1.516  10.359  15.569
   12    HG2  GLU   2           2HG      GLU   2  -0.012   9.897  13.690
   13    H    SER   3           H        SER   3   5.223  11.256  12.907
   14    HA   SER   3           HA       SER   3   4.697  13.861  11.711
   15    HB2  SER   3           2HB      SER   3   6.710  11.784  10.875
   16    HG   SER   3           HG       SER   3   8.081  12.983  12.322
   17    H    ALA   4           H        ALA   4   2.536  11.996  11.275
   18    HA   ALA   4           HA       ALA   4   1.174  11.010   9.853
   19    HB1  ALA   4           3HB      ALA   4   0.869  11.919   7.686
   20    HB2  ALA   4           1HB      ALA   4   1.167  13.201   8.882
   21    HB3  ALA   4           2HB      ALA   4   2.463  12.727   7.750
   22    H    ALA   5           H        ALA   5   4.372  11.012   8.258
   23    HA   ALA   5           HA       ALA   5   4.238   8.832   6.652
   24    HB1  ALA   5           3HB      ALA   5   6.661   8.580   7.031
   25    HB2  ALA   5           1HB      ALA   5   6.189  10.278   6.852
   26    HB3  ALA   5           2HB      ALA   5   6.549   9.628   8.466
   27    H    ALA   6           H        ALA   6   4.722   8.700  10.234
   28    HA   ALA   6           HA       ALA   6   5.275   5.878  10.266
   29    HB1  ALA   6           3HB      ALA   6   4.550   6.192  12.758
   30    HB2  ALA   6           1HB      ALA   6   6.053   6.909  12.156
   31    HB3  ALA   6           2HB      ALA   6   4.617   7.921  12.379
   32    H    LYS   7           H        LYS   7   2.245   7.674  11.105
   33    HA   LYS   7           HA       LYS   7   0.576   5.408  11.330
   34    HB2  LYS   7           2HB      LYS   7  -0.236   7.360  12.161
   35    HG2  LYS   7           2HG      LYS   7  -1.984   6.222  10.600
   36    HD2  LYS   7           2HD      LYS   7  -1.116   8.643   9.007
   37    HE2  LYS   7           2HE      LYS   7  -3.409   8.891   8.055
   38    HZ1  LYS   7           3HZ      LYS   7  -4.280  10.246   9.800
   39    HZ2  LYS   7           1HZ      LYS   7  -3.285   9.575  10.920
   40    HZ3  LYS   7           2HZ      LYS   7  -2.657  10.474   9.698
   41    H    PHE   8           H        PHE   8   1.276   7.391   8.467
   42    HA   PHE   8           HA       PHE   8  -0.288   6.036   6.521
   43    HB2  PHE   8           2HB      PHE   8   0.674   7.998   5.752
   44    HD1  PHE   8           HD1      PHE   8   0.056   6.071   3.864
   45    HD2  PHE   8           HD2      PHE   8   4.015   6.824   5.371
   46    HE1  PHE   8           HE1      PHE   8   1.066   4.588   2.126
   47    HE2  PHE   8           HE2      PHE   8   4.979   5.616   3.487
   48    HZ   PHE   8           HZ       PHE   8   3.526   4.744   1.687
   49    H    GLU   9           H        GLU   9   3.071   5.354   7.635
   50    HA   GLU   9           HA       GLU   9   3.380   2.936   6.212
   51    HB2  GLU   9           2HB      GLU   9   4.808   4.146   8.509
   52    HG2  GLU   9           2HG      GLU   9   5.519   2.439   6.084
   53    H    ARG  10           H        ARG  10   2.330   3.259   9.683
   54    HA   ARG  10           HA       ARG  10   1.825   0.572   9.910
   55    HB2  ARG  10           2HB      ARG  10   0.227   2.810  11.237
   56    HG2  ARG  10           2HG      ARG  10   2.632   3.028  11.800
   57    HD2  ARG  10           2HD      ARG  10   2.355   0.138  12.702
   58    HE   ARG  10           HE       ARG  10   3.971   2.206  13.828
   59   HH11  ARG  10          1HH2      ARG  10   4.293  -1.086  12.621
   60   HH12  ARG  10          2HH2      ARG  10   5.560  -1.550  13.714
   61   HH21  ARG  10          1HH1      ARG  10   5.663   1.642  15.307
   62   HH22  ARG  10          2HH1      ARG  10   6.370   0.062  15.268
   63    H    GLN  11           H        GLN  11  -0.312   2.897   8.325
   64    HA   GLN  11           HA       GLN  11  -2.561   1.060   8.109
   65    HB2  GLN  11           2HB      GLN  11  -1.876   3.673   6.722
   66    HG2  GLN  11           2HG      GLN  11  -2.404   3.792   9.214
   67   HE21  GLN  11          2HE2      GLN  11  -4.560   4.409  10.510
   68   HE22  GLN  11          1HE2      GLN  11  -5.758   3.132  10.511
   69    H    HIS  12           H        HIS  12   0.292   1.582   6.116
   70    HA   HIS  12           HA       HIS  12  -0.967  -0.058   3.905
   71    HB2  HIS  12           2HB      HIS  12  -0.376   1.474   2.379
   72    HD1  HIS  12           HD1      HIS  12   2.103   3.113   4.763
   73    HD2  HIS  12           HD2      HIS  12   1.965   0.772   1.269
   74    HE1  HIS  12           HE1      HIS  12   4.562   2.828   3.963
   75    HE2  HIS  12           HE2      HIS  12   4.451   1.420   1.817
   76    H    MET  13           H        MET  13   1.685   0.230   6.003
   77    HA   MET  13           HA       MET  13   3.436  -1.667   4.556
   78    HB2  MET  13           2HB      MET  13   4.484   0.452   5.042
   79    HG2  MET  13           2HG      MET  13   6.261  -0.058   6.583
   80    HE1  MET  13           3HE      MET  13   8.818  -1.978   4.801
   81    HE2  MET  13           1HE      MET  13   8.372  -0.530   5.697
   82    HE3  MET  13           2HE      MET  13   8.280  -2.113   6.501
   83    H    ASP  14           H        ASP  14   2.953  -3.694   5.236
   84    HA   ASP  14           HA       ASP  14   2.515  -4.257   8.135
   85    HB2  ASP  14           2HB      ASP  14   0.526  -4.895   6.869
   86    H    SER  15           H        SER  15   4.506  -5.007   8.920
   87    HA   SER  15           HA       SER  15   6.528  -6.055   7.122
   88    HB2  SER  15           2HB      SER  15   7.606  -6.372   9.526
   89    HG   SER  15           HG       SER  15   6.669  -4.908  10.976
   90    H    GLY  16           H        GLY  16   4.459  -7.640   6.622
   91    HA2  GLY  16           2HA      GLY  16   3.792  -9.766   8.225
   92    H    ASN  17           H        ASN  17   5.023 -11.308   9.125
   93    HA   ASN  17           HA       ASN  17   7.680 -11.993   8.120
   94    HB2  ASN  17           2HB      ASN  17   7.352 -11.766  10.505
   95   HD21  ASN  17          2HD2      ASN  17   9.576 -12.602   9.973
   96   HD22  ASN  17          1HD2      ASN  17   9.912 -14.294  10.293
   97    H    SER  18           H        SER  18   4.669 -13.867   8.764
   98    HA   SER  18           HA       SER  18   5.854 -16.293   7.944
   99    HB2  SER  18           2HB      SER  18   3.928 -16.020   9.530
  100    HG   SER  18           HG       SER  18   2.833 -17.893   8.729
  101    HA   PRO  19           HA       PRO  19   5.253 -15.961   3.507
  102    HB2  PRO  19           2HB      PRO  19   5.439 -18.582   2.710
  103    HG2  PRO  19           2HG      PRO  19   5.026 -19.520   4.892
  104    HD2  PRO  19           2HD      PRO  19   5.519 -18.329   6.840
  105    H    SER  20           H        SER  20   3.874 -17.030   1.777
  106    HA   SER  20           HA       SER  20   1.793 -16.898   0.922
  107    HB2  SER  20           2HB      SER  20   0.554 -18.979   1.160
  108    HG   SER  20           HG       SER  20   1.497 -20.554   2.655
  109    H    SER  21           H        SER  21   0.200 -18.419   3.547
  110    HA   SER  21           HA       SER  21  -1.802 -17.864   4.544
  111    HB2  SER  21           2HB      SER  21  -0.231 -16.459   5.893
  112    HG   SER  21           HG       SER  21  -1.852 -15.217   6.789
  113    H    SER  22           H        SER  22  -3.299 -15.465   4.461
  114    HA   SER  22           HA       SER  22  -3.331 -14.222   1.964
  115    HB2  SER  22           2HB      SER  22  -5.436 -15.044   0.912
  116    HG   SER  22           HG       SER  22  -5.964 -17.286   1.684
  117    H    SER  23           H        SER  23  -6.522 -15.013   3.052
  118    HA   SER  23           HA       SER  23  -7.310 -12.303   3.242
  119    HB2  SER  23           2HB      SER  23  -9.356 -13.481   4.396
  120    HG   SER  23           HG       SER  23  -9.279 -15.755   4.022
  121    H    ASN  24           H        ASN  24  -6.080 -14.547   5.651
  122    HA   ASN  24           HA       ASN  24  -6.677 -13.422   8.043
  123    HB2  ASN  24           2HB      ASN  24  -3.869 -14.223   7.213
  124   HD21  ASN  24          2HD2      ASN  24  -4.751 -16.258   9.624
  125   HD22  ASN  24          1HD2      ASN  24  -5.365 -17.579   8.649
  126    H    TYR  25           H        TYR  25  -3.842 -12.307   6.096
  127    HA   TYR  25           HA       TYR  25  -3.227 -10.213   7.916
  128    HB2  TYR  25           2HB      TYR  25  -2.708 -10.375   4.910
  129    HD1  TYR  25           HD2      TYR  25  -1.210 -10.961   8.342
  130    HD2  TYR  25           HD1      TYR  25  -0.865 -11.643   4.090
  131    HE1  TYR  25           HE2      TYR  25   0.688 -12.474   8.735
  132    HE2  TYR  25           HE1      TYR  25   1.149 -13.014   4.485
  133    HH   TYR  25           HH       TYR  25   2.636 -13.907   6.128
  134    H    CYS  26           H        CYS  26  -5.335 -10.315   5.105
  135    HA   CYS  26           HA       CYS  26  -5.721  -7.521   4.668
  136    HB2  CYS  26           2HB      CYS  26  -7.277  -9.994   4.026
  137    H    ASN  27           H        ASN  27  -7.665  -9.878   6.488
  138    HA   ASN  27           HA       ASN  27  -9.485  -7.916   7.560
  139    HB2  ASN  27           2HB      ASN  27  -8.908 -10.806   8.329
  140   HD21  ASN  27          2HD2      ASN  27  -9.173 -11.254   5.945
  141   HD22  ASN  27          1HD2      ASN  27 -10.789 -11.139   5.250
  142    H    LEU  28           H        LEU  28  -6.710  -9.723   8.939
  143    HA   LEU  28           HA       LEU  28  -6.932  -8.902  11.572
  144    HB2  LEU  28           2HB      LEU  28  -5.450 -10.712  10.542
  145    HG   LEU  28           HG       LEU  28  -3.614 -10.655  12.072
  146   HD11  LEU  28          1HD1      LEU  28  -3.220  -8.158  12.094
  147   HD12  LEU  28          2HD1      LEU  28  -4.602  -8.027  13.217
  148   HD13  LEU  28          3HD1      LEU  28  -3.179  -8.966  13.672
  149   HD21  LEU  28          3HD2      LEU  28  -4.871 -10.860  14.130
  150   HD22  LEU  28          1HD2      LEU  28  -6.215  -9.915  13.471
  151   HD23  LEU  28          2HD2      LEU  28  -5.826 -11.507  12.784
  152    H    MET  29           H        MET  29  -4.756  -7.456   9.042
  153    HA   MET  29           HA       MET  29  -3.804  -5.437  10.825
  154    HB2  MET  29           2HB      MET  29  -2.718  -6.213   8.672
  155    HG2  MET  29           2HG      MET  29  -2.842  -3.469   9.718
  156    HE1  MET  29           3HE      MET  29  -4.050  -1.717   6.442
  157    HE2  MET  29           1HE      MET  29  -4.685  -3.240   7.081
  158    HE3  MET  29           2HE      MET  29  -4.306  -1.900   8.191
  159    H    MET  30           H        MET  30  -6.454  -5.448   8.366
  160    HA   MET  30           HA       MET  30  -7.117  -2.711   8.575
  161    HB2  MET  30           2HB      MET  30  -8.734  -5.178   7.855
  162    HG2  MET  30           2HG      MET  30  -6.887  -4.123   6.350
  163    HE1  MET  30           3HE      MET  30  -7.170  -1.069   3.937
  164    HE2  MET  30           1HE      MET  30  -6.140  -2.408   4.498
  165    HE3  MET  30           2HE      MET  30  -7.683  -2.755   3.670
  166    H    CYS  31           H        CYS  31  -8.266  -5.519  10.464
  167    HA   CYS  31           HA       CYS  31 -10.015  -4.090  12.214
  168    HB2  CYS  31           2HB      CYS  31 -10.100  -6.532  11.979
  169    HG   CYS  31           HG       CYS  31 -10.179  -7.363  14.467
  170    H    CYS  32           H        CYS  32  -6.568  -5.034  12.547
  171    HA   CYS  32           HA       CYS  32  -6.144  -4.061  15.155
  172    HB2  CYS  32           2HB      CYS  32  -4.564  -5.560  13.963
  173    HG   CYS  32           HG       CYS  32  -2.209  -4.361  14.472
  174    H    ARG  33           H        ARG  33  -5.792  -2.396  12.014
  175    HA   ARG  33           HA       ARG  33  -5.127   0.205  13.288
  176    HB2  ARG  33           2HB      ARG  33  -5.810  -0.486  10.406
  177    HG2  ARG  33           2HG      ARG  33  -3.713  -1.649  10.935
  178    HD2  ARG  33           2HD      ARG  33  -1.699  -0.237  11.502
  179    HE   ARG  33           HE       ARG  33  -3.240  -1.600  13.207
  180   HH11  ARG  33          1HH2      ARG  33  -1.565   1.472  13.628
  181   HH12  ARG  33          2HH2      ARG  33  -1.624   1.437  15.366
  182   HH21  ARG  33          1HH1      ARG  33  -3.463  -1.615  15.425
  183   HH22  ARG  33          2HH1      ARG  33  -2.666  -0.444  16.444
  184    H    LYS  34           H        LYS  34  -7.908  -1.612  12.427
  185    HA   LYS  34           HA       LYS  34 -10.027  -1.330  12.508
  186    HB2  LYS  34           2HB      LYS  34  -9.109  -0.367  14.888
  187    HG2  LYS  34           2HG      LYS  34 -10.933  -1.912  14.640
  188    HD2  LYS  34           2HD      LYS  34 -12.552   0.523  13.773
  189    HE2  LYS  34           2HE      LYS  34 -14.347  -1.282  13.347
  190    HZ1  LYS  34           3HZ      LYS  34 -15.108  -1.269  15.605
  191    HZ2  LYS  34           1HZ      LYS  34 -13.647  -0.732  16.152
  192    HZ3  LYS  34           2HZ      LYS  34 -14.556   0.211  15.143
  193    H    MET  35           H        MET  35  -9.090  -0.481  10.317
  194    HA   MET  35           HA       MET  35 -10.033   2.209   9.615
  195    HB2  MET  35           2HB      MET  35  -9.061  -0.204   8.033
  196    HG2  MET  35           2HG      MET  35  -7.388   1.251   9.203
  197    HE1  MET  35           3HE      MET  35  -8.395   4.776   6.374
  198    HE2  MET  35           1HE      MET  35  -7.740   3.209   5.845
  199    HE3  MET  35           2HE      MET  35  -9.426   3.333   6.417
  200    H    THR  36           H        THR  36 -11.391  -1.060   9.668
  201    HA   THR  36           HA       THR  36 -13.597  -0.484   7.924
  202    HB   THR  36           HB       THR  36 -14.190  -2.854   8.801
  203    HG1  THR  36           HG1      THR  36 -12.410  -3.830   9.856
  204   HG21  THR  36          1HG2      THR  36 -13.111  -2.452   6.638
  205   HG22  THR  36          2HG2      THR  36 -11.523  -2.309   7.417
  206   HG23  THR  36          3HG2      THR  36 -12.390  -3.861   7.429
  207    H    GLN  37           H        GLN  37 -13.861   1.493   9.507
  208    HA   GLN  37           HA       GLN  37 -15.646   0.994  11.804
  209    HB2  GLN  37           2HB      GLN  37 -14.537   3.460  10.448
  210    HG2  GLN  37           2HG      GLN  37 -13.216   1.983  12.141
  211   HE21  GLN  37          2HE2      GLN  37 -14.151   4.729  14.127
  212   HE22  GLN  37          1HE2      GLN  37 -14.810   3.800  15.458
  213    H    GLY  38           H        GLY  38 -16.389   3.518   9.454
  214    HA2  GLY  38           2HA      GLY  38 -19.162   2.447   9.234
  215    H    LYS  39           H        LYS  39 -16.617   1.773   7.495
  216    HA   LYS  39           HA       LYS  39 -17.990   1.023   5.247
  217    HB2  LYS  39           2HB      LYS  39 -16.725   2.286   3.488
  218    HG2  LYS  39           2HG      LYS  39 -15.164   3.418   5.322
  219    HD2  LYS  39           2HD      LYS  39 -17.018   4.878   6.335
  220    HE2  LYS  39           2HE      LYS  39 -17.471   7.001   5.173
  221    HZ1  LYS  39           3HZ      LYS  39 -19.131   6.289   3.713
  222    HZ2  LYS  39           1HZ      LYS  39 -18.401   4.852   3.418
  223    HZ3  LYS  39           2HZ      LYS  39 -19.057   5.134   4.899
  224    H    CYS  40           H        CYS  40 -16.144   0.200   3.588
  225    HA   CYS  40           HA       CYS  40 -13.742  -0.687   5.102
  226    HB2  CYS  40           2HB      CYS  40 -15.345  -2.568   5.100
  227    H    LYS  41           H        LYS  41 -11.901  -0.998   3.633
  228    HA   LYS  41           HA       LYS  41 -12.090   0.793   1.342
  229    HB2  LYS  41           2HB      LYS  41 -10.115   0.404   3.130
  230    HG2  LYS  41           2HG      LYS  41  -9.686   1.106   0.207
  231    HD2  LYS  41           2HD      LYS  41  -8.209   2.048   2.711
  232    HE2  LYS  41           2HE      LYS  41  -7.623   2.249  -0.293
  233    HZ1  LYS  41           3HZ      LYS  41  -5.631   3.307   0.309
  234    HZ2  LYS  41           1HZ      LYS  41  -5.961   3.225   1.923
  235    HZ3  LYS  41           2HZ      LYS  41  -5.652   1.855   1.088
  236    HA   PRO  42           HA       PRO  42 -12.922  -2.892  -1.240
  237    HB2  PRO  42           2HB      PRO  42 -12.917  -1.719  -3.696
  238    HG2  PRO  42           2HG      PRO  42 -11.934   0.381  -3.057
  239    HD2  PRO  42           2HD      PRO  42 -11.942   1.075  -0.836
  240    H    VAL  43           H        VAL  43 -10.211  -0.601  -1.718
  241    HA   VAL  43           HA       VAL  43  -8.499  -2.875  -2.607
  242    HB   VAL  43           HB       VAL  43  -7.430  -1.453  -4.223
  243   HG11  VAL  43          1HG1      VAL  43  -9.476  -2.738  -4.912
  244   HG12  VAL  43          2HG1      VAL  43 -10.437  -1.268  -4.694
  245   HG13  VAL  43          3HG1      VAL  43  -9.150  -1.319  -5.913
  246   HG21  VAL  43          3HG2      VAL  43  -8.381   0.758  -4.888
  247   HG22  VAL  43          1HG2      VAL  43  -9.415   0.732  -3.451
  248   HG23  VAL  43          2HG2      VAL  43  -7.645   0.788  -3.288
  249    H    ASN  44           H        ASN  44  -6.563  -3.007  -1.468
  250    HA   ASN  44           HA       ASN  44  -5.321  -0.534  -0.602
  251    HB2  ASN  44           2HB      ASN  44  -6.880  -1.300   1.337
  252   HD21  ASN  44          2HD2      ASN  44  -4.087  -2.295   3.021
  253   HD22  ASN  44          1HD2      ASN  44  -3.513  -0.706   3.447
  254    H    THR  45           H        THR  45  -3.010  -0.873  -0.257
  255    HA   THR  45           HA       THR  45  -2.087  -3.590  -1.090
  256    HB   THR  45           HB       THR  45  -0.788  -0.925  -1.671
  257    HG1  THR  45           HG1      THR  45  -2.265  -2.673  -3.377
  258   HG21  THR  45          1HG2      THR  45   0.848  -2.724  -1.627
  259   HG22  THR  45          2HG2      THR  45  -0.250  -3.802  -2.513
  260   HG23  THR  45          3HG2      THR  45   0.469  -2.413  -3.332
  261    H    PHE  46           H        PHE  46  -1.165  -4.631   0.568
  262    HA   PHE  46           HA       PHE  46  -0.013  -3.120   2.830
  263    HB2  PHE  46           2HB      PHE  46  -0.334  -6.080   2.394
  264    HD1  PHE  46           HD1      PHE  46  -2.836  -4.010   2.330
  265    HD2  PHE  46           HD2      PHE  46  -0.907  -6.535   5.261
  266    HE1  PHE  46           HE1      PHE  46  -4.983  -4.296   3.522
  267    HE2  PHE  46           HE2      PHE  46  -3.011  -6.763   6.439
  268    HZ   PHE  46           HZ       PHE  46  -5.048  -5.509   5.687
  269    H    VAL  47           H        VAL  47   1.896  -2.272   2.024
  270    HA   VAL  47           HA       VAL  47   3.807  -3.810   0.455
  271    HB   VAL  47           HB       VAL  47   3.999  -1.259   2.113
  272   HG11  VAL  47          1HG1      VAL  47   6.216  -2.283   2.104
  273   HG12  VAL  47          2HG1      VAL  47   6.105  -2.589   0.364
  274   HG13  VAL  47          3HG1      VAL  47   6.186  -0.920   0.993
  275   HG21  VAL  47          3HG2      VAL  47   4.146  -0.194  -0.143
  276   HG22  VAL  47          1HG2      VAL  47   3.935  -1.787  -0.897
  277   HG23  VAL  47          2HG2      VAL  47   2.625  -1.086   0.052
  278    H    HIS  48           H        HIS  48   5.545  -5.043   1.262
  279    HA   HIS  48           HA       HIS  48   5.857  -5.258   4.213
  280    HB2  HIS  48           2HB      HIS  48   4.602  -7.199   3.794
  281    HD1  HIS  48           HD1      HIS  48   7.228  -7.188   5.584
  282    HD2  HIS  48           HD2      HIS  48   6.622  -9.539   2.148
  283    HE1  HIS  48           HE1      HIS  48   8.970  -9.076   5.697
  284    HE2  HIS  48           HE2      HIS  48   8.590 -10.525   3.621
  285    H    GLU  49           H        GLU  49   7.767  -4.384   4.565
  286    HA   GLU  49           HA       GLU  49  10.080  -5.722   3.669
  287    HB2  GLU  49           2HB      GLU  49   9.356  -3.716   1.866
  288    HG2  GLU  49           2HG      GLU  49  10.994  -5.362   1.336
  289    H    SER  50           H        SER  50  11.770  -3.361   4.445
  290    HA   SER  50           HA       SER  50  11.197  -3.191   7.339
  291    HB2  SER  50           2HB      SER  50  13.391  -4.007   6.451
  292    HG   SER  50           HG       SER  50  14.600  -2.605   7.794
  293    H    LEU  51           H        LEU  51  10.827  -1.251   8.346
  294    HA   LEU  51           HA       LEU  51   9.593   0.916   7.083
  295    HB2  LEU  51           2HB      LEU  51   9.304   0.469   9.402
  296    HG   LEU  51           HG       LEU  51   9.667   3.053   8.624
  297   HD11  LEU  51          1HD1      LEU  51   7.970   2.224  10.229
  298   HD12  LEU  51          2HD1      LEU  51   9.215   2.122  11.491
  299   HD13  LEU  51          3HD1      LEU  51   8.749   3.700  10.815
  300   HD21  LEU  51          3HD2      LEU  51  11.067   4.198  10.327
  301   HD22  LEU  51          1HD2      LEU  51  11.620   2.631  10.937
  302   HD23  LEU  51          2HD2      LEU  51  12.065   3.162   9.307
  303    H    ALA  52           H        ALA  52  12.976   0.619   8.125
  304    HA   ALA  52           HA       ALA  52  13.858   3.194   7.352
  305    HB1  ALA  52           3HB      ALA  52  16.104   2.169   7.303
  306    HB2  ALA  52           1HB      ALA  52  15.193   1.656   8.737
  307    HB3  ALA  52           2HB      ALA  52  15.378   0.548   7.358
  308    H    ASP  53           H        ASP  53  13.351   0.191   5.420
  309    HA   ASP  53           HA       ASP  53  14.844   1.346   3.220
  310    HB2  ASP  53           2HB      ASP  53  14.700  -1.171   3.915
  311    H    VAL  54           H        VAL  54  11.417   0.802   4.071
  312    HA   VAL  54           HA       VAL  54  10.306   1.860   1.647
  313    HB   VAL  54           HB       VAL  54   9.336   1.722   4.510
  314   HG11  VAL  54          1HG1      VAL  54   8.327   3.789   3.758
  315   HG12  VAL  54          2HG1      VAL  54   7.874   3.062   2.194
  316   HG13  VAL  54          3HG1      VAL  54   7.111   2.517   3.704
  317   HG21  VAL  54          3HG2      VAL  54   7.671   0.230   3.416
  318   HG22  VAL  54          1HG2      VAL  54   8.412   0.535   1.844
  319   HG23  VAL  54          2HG2      VAL  54   9.332  -0.321   3.099
  320    H    LYS  55           H        LYS  55  11.470   3.551   4.615
  321    HA   LYS  55           HA       LYS  55  10.948   6.157   3.570
  322    HB2  LYS  55           2HB      LYS  55  12.727   5.095   5.697
  323    HG2  LYS  55           2HG      LYS  55  10.649   7.238   5.837
  324    HD2  LYS  55           2HD      LYS  55  11.382   5.070   7.839
  325    HE2  LYS  55           2HE      LYS  55  10.362   6.503   9.500
  326    HZ1  LYS  55           3HZ      LYS  55   8.117   6.609   8.756
  327    HZ2  LYS  55           1HZ      LYS  55   8.544   6.624   7.173
  328    HZ3  LYS  55           2HZ      LYS  55   8.738   5.286   8.022
  329    H    ALA  56           H        ALA  56  13.936   4.167   3.397
  330    HA   ALA  56           HA       ALA  56  15.508   5.906   1.893
  331    HB1  ALA  56           3HB      ALA  56  16.730   3.964   1.117
  332    HB2  ALA  56           1HB      ALA  56  16.287   3.738   2.821
  333    HB3  ALA  56           2HB      ALA  56  15.400   2.882   1.542
  334    H    VAL  57           H        VAL  57  13.291   3.414   0.580
  335    HA   VAL  57           HA       VAL  57  13.379   3.868  -2.127
  336    HB   VAL  57           HB       VAL  57  11.203   3.008  -0.230
  337   HG11  VAL  57          1HG1      VAL  57   9.834   4.081  -1.821
  338   HG12  VAL  57          2HG1      VAL  57  10.783   3.486  -3.190
  339   HG13  VAL  57          3HG1      VAL  57   9.807   2.367  -2.209
  340   HG21  VAL  57          3HG2      VAL  57  11.489   0.876  -1.385
  341   HG22  VAL  57          1HG2      VAL  57  12.699   1.600  -2.466
  342   HG23  VAL  57          2HG2      VAL  57  13.035   1.455  -0.744
  343    H    CYS  58           H        CYS  58  11.309   5.731   0.202
  344    HA   CYS  58           HA       CYS  58  10.315   7.448  -1.903
  345    HB2  CYS  58           2HB      CYS  58   8.971   8.023  -0.306
  346    H    SER  59           H        SER  59  13.125   7.753   0.334
  347    HA   SER  59           HA       SER  59  13.978  10.184  -1.118
  348    HB2  SER  59           2HB      SER  59  14.297   9.677   1.390
  349    HG   SER  59           HG       SER  59  16.590  10.358  -0.125
  350    H    GLN  60           H        GLN  60  13.646   8.283  -3.067
  351    HA   GLN  60           HA       GLN  60  16.432   7.507  -3.798
  352    HB2  GLN  60           2HB      GLN  60  14.758   5.665  -2.732
  353    HG2  GLN  60           2HG      GLN  60  16.079   3.990  -4.233
  354   HE21  GLN  60          2HE2      GLN  60  17.014   6.681  -1.919
  355   HE22  GLN  60          1HE2      GLN  60  17.823   5.560  -0.857
  356    H    LYS  61           H        LYS  61  13.840   6.352  -5.900
  357    HA   LYS  61           HA       LYS  61  14.756   8.363  -7.914
  358    HB2  LYS  61           2HB      LYS  61  13.903   5.480  -8.200
  359    HG2  LYS  61           2HG      LYS  61  16.473   6.993  -8.906
  360    HD2  LYS  61           2HD      LYS  61  17.416   4.773  -9.349
  361    HE2  LYS  61           2HE      LYS  61  14.852   5.081 -10.995
  362    HZ1  LYS  61           3HZ      LYS  61  16.198   4.213 -12.734
  363    HZ2  LYS  61           1HZ      LYS  61  17.511   4.080 -11.756
  364    HZ3  LYS  61           2HZ      LYS  61  16.181   3.142 -11.487
  365    H    LYS  62           H        LYS  62  13.249   9.932  -7.924
  366    HA   LYS  62           HA       LYS  62  10.473   9.670  -7.564
  367    HB2  LYS  62           2HB      LYS  62  11.994  11.728  -7.563
  368    HG2  LYS  62           2HG      LYS  62   9.437  11.704  -7.393
  369    HD2  LYS  62           2HD      LYS  62   9.060  11.507  -9.955
  370    HE2  LYS  62           2HE      LYS  62   9.759  14.469  -9.743
  371    HZ1  LYS  62           3HZ      LYS  62   9.161  14.508 -12.050
  372    HZ2  LYS  62           1HZ      LYS  62   8.709  12.928 -12.030
  373    HZ3  LYS  62           2HZ      LYS  62   7.871  14.037 -11.150
  374    H    VAL  63           H        VAL  63   8.776   9.190  -9.012
  375    HA   VAL  63           HA       VAL  63   9.445   8.875 -11.891
  376    HB   VAL  63           HB       VAL  63   7.894   6.977 -12.048
  377   HG11  VAL  63          1HG1      VAL  63  10.364   6.684 -11.939
  378   HG12  VAL  63          2HG1      VAL  63  10.230   6.402 -10.189
  379   HG13  VAL  63          3HG1      VAL  63   9.446   5.294 -11.345
  380   HG21  VAL  63          3HG2      VAL  63   7.276   5.642 -10.093
  381   HG22  VAL  63          1HG2      VAL  63   8.005   6.831  -9.000
  382   HG23  VAL  63          2HG2      VAL  63   6.579   7.258  -9.969
  383    H    THR  64           H        THR  64   7.700   9.308 -13.296
  384    HA   THR  64           HA       THR  64   5.738  11.218 -12.299
  385    HB   THR  64           HB       THR  64   5.943   9.788 -14.981
  386    HG1  THR  64           HG1      THR  64   7.122  11.652 -15.567
  387   HG21  THR  64          1HG2      THR  64   3.772  10.959 -14.569
  388   HG22  THR  64          2HG2      THR  64   4.663  12.452 -14.191
  389   HG23  THR  64          3HG2      THR  64   4.722  11.766 -15.827
  390    H    CYS  65           H        CYS  65   3.966  10.507 -11.215
  391    HA   CYS  65           HA       CYS  65   3.241   7.745 -10.985
  392    HB2  CYS  65           2HB      CYS  65   1.478  10.130 -10.354
  393    H    LYS  66           H        LYS  66   0.666   7.260 -11.405
  394    HA   LYS  66           HA       LYS  66   0.498   7.363 -14.315
  395    HB2  LYS  66           2HB      LYS  66   0.030   5.356 -12.807
  396    HG2  LYS  66           2HG      LYS  66  -1.939   6.150 -14.992
  397    HD2  LYS  66           2HD      LYS  66  -1.184   3.442 -13.811
  398    HE2  LYS  66           2HE      LYS  66  -2.906   4.186 -16.236
  399    HZ1  LYS  66           3HZ      LYS  66  -3.166   1.823 -16.475
  400    HZ2  LYS  66           1HZ      LYS  66  -2.369   1.534 -15.066
  401    HZ3  LYS  66           2HZ      LYS  66  -3.819   2.318 -15.051
  402    H    ASP  67           H        ASP  67   0.387   9.841 -13.671
  403    HA   ASP  67           HA       ASP  67  -1.843  10.982 -14.853
  404    HB2  ASP  67           2HB      ASP  67  -2.877  12.265 -13.094
  405    H    GLY  68           H        GLY  68   0.553  11.488 -12.353
  406    HA2  GLY  68           2HA      GLY  68   2.707  12.508 -12.631
  407    H    GLN  69           H        GLN  69   0.131  12.969 -11.066
  408    HA   GLN  69           HA       GLN  69   0.185  15.892 -10.596
  409    HB2  GLN  69           2HB      GLN  69  -1.927  14.570 -10.740
  410    HG2  GLN  69           2HG      GLN  69  -1.395  15.907  -8.048
  411   HE21  GLN  69          2HE2      GLN  69  -3.937  15.340 -10.579
  412   HE22  GLN  69          1HE2      GLN  69  -5.242  15.209  -9.416
  413    H    THR  70           H        THR  70   0.543  12.876  -8.593
  414    HA   THR  70           HA       THR  70   1.724  14.329  -6.386
  415    HB   THR  70           HB       THR  70   1.990  11.780  -5.689
  416    HG1  THR  70           HG1      THR  70   0.826  10.420  -6.996
  417   HG21  THR  70          1HG2      THR  70   0.363  13.362  -4.717
  418   HG22  THR  70          2HG2      THR  70  -0.708  13.134  -6.119
  419   HG23  THR  70          3HG2      THR  70  -0.391  11.781  -5.012
  420    H    ASN  71           H        ASN  71   3.842  13.993  -5.565
  421    HA   ASN  71           HA       ASN  71   5.901  13.468  -7.654
  422    HB2  ASN  71           2HB      ASN  71   5.941  15.603  -6.407
  423   HD21  ASN  71          2HD2      ASN  71   8.284  14.383  -4.301
  424   HD22  ASN  71          1HD2      ASN  71   9.659  14.519  -5.386
  425    H    CYS  72           H        CYS  72   5.188  11.168  -7.517
  426    HA   CYS  72           HA       CYS  72   5.917   9.773  -5.022
  427    HB2  CYS  72           2HB      CYS  72   4.912   7.797  -5.924
  428    H    TYR  73           H        TYR  73   7.122   7.781  -5.111
  429    HA   TYR  73           HA       TYR  73   9.459   7.880  -6.964
  430    HB2  TYR  73           2HB      TYR  73   9.254   7.781  -3.939
  431    HD1  TYR  73           HD1      TYR  73   8.733  10.335  -4.561
  432    HD2  TYR  73           HD2      TYR  73  12.492   8.367  -5.065
  433    HE1  TYR  73           HE1      TYR  73   9.917  12.483  -4.239
  434    HE2  TYR  73           HE2      TYR  73  13.671  10.552  -5.027
  435    HH   TYR  73           HH       TYR  73  13.443  12.811  -4.634
  436    H    GLN  74           H        GLN  74  10.341   5.981  -7.531
  437    HA   GLN  74           HA       GLN  74   8.694   3.552  -7.065
  438    HB2  GLN  74           2HB      GLN  74   9.042   4.098  -9.392
  439    HG2  GLN  74           2HG      GLN  74  11.011   1.879  -8.697
  440   HE21  GLN  74          2HE2      GLN  74  10.847   3.733 -11.137
  441   HE22  GLN  74          1HE2      GLN  74  10.662   2.582 -12.450
  442    H    SER  75           H        SER  75   9.491   1.815  -5.985
  443    HA   SER  75           HA       SER  75  11.817   2.024  -4.430
  444    HB2  SER  75           2HB      SER  75  11.336  -0.377  -3.873
  445    HG   SER  75           HG       SER  75  10.660  -1.304  -5.754
  446    H    LYS  76           H        LYS  76  13.756   1.019  -4.396
  447    HA   LYS  76           HA       LYS  76  15.487   1.086  -6.479
  448    HB2  LYS  76           2HB      LYS  76  16.808  -0.602  -5.096
  449    HG2  LYS  76           2HG      LYS  76  14.551  -0.218  -3.060
  450    HD2  LYS  76           2HD      LYS  76  15.622  -2.286  -2.120
  451    HE2  LYS  76           2HE      LYS  76  17.624  -0.017  -1.901
  452    HZ1  LYS  76           3HZ      LYS  76  17.083  -0.559   0.498
  453    HZ2  LYS  76           1HZ      LYS  76  16.085  -1.652   0.020
  454    HZ3  LYS  76           2HZ      LYS  76  17.706  -1.893  -0.295
  455    H    SER  77           H        SER  77  13.362  -1.626  -5.692
  456    HA   SER  77           HA       SER  77  13.933  -3.111  -8.137
  457    HB2  SER  77           2HB      SER  77  14.568  -5.124  -6.632
  458    HG   SER  77           HG       SER  77  15.453  -4.426  -4.587
  459    H    THR  78           H        THR  78  12.588  -5.384  -7.691
  460    HA   THR  78           HA       THR  78   9.877  -4.690  -6.981
  461    HB   THR  78           HB       THR  78   9.752  -7.264  -7.300
  462    HG1  THR  78           HG1      THR  78  11.579  -8.107  -8.343
  463   HG21  THR  78          1HG2      THR  78   9.078  -5.609  -9.056
  464   HG22  THR  78          2HG2      THR  78  10.762  -5.517  -9.603
  465   HG23  THR  78          3HG2      THR  78   9.853  -7.034  -9.761
  466    H    MET  79           H        MET  79   8.830  -5.214  -5.075
  467    HA   MET  79           HA       MET  79  10.334  -6.484  -2.862
  468    HB2  MET  79           2HB      MET  79   8.692  -3.912  -2.865
  469    HG2  MET  79           2HG      MET  79  11.453  -4.584  -1.780
  470    HE1  MET  79           3HE      MET  79  12.763  -1.108  -0.876
  471    HE2  MET  79           1HE      MET  79  13.033  -2.859  -0.805
  472    HE3  MET  79           2HE      MET  79  12.957  -2.040  -2.385
  473    H    ARG  80           H        ARG  80   8.840  -7.478  -1.334
  474    HA   ARG  80           HA       ARG  80   6.726  -8.799  -2.895
  475    HB2  ARG  80           2HB      ARG  80   8.702  -9.705  -1.089
  476    HG2  ARG  80           2HG      ARG  80   6.624 -10.834  -2.871
  477    HD2  ARG  80           2HD      ARG  80   5.918 -11.700  -0.650
  478    HE   ARG  80           HE       ARG  80   7.700 -12.470   0.589
  479   HH11  ARG  80          1HH2      ARG  80   8.053 -13.600  -2.794
  480   HH12  ARG  80          2HH2      ARG  80   9.139 -14.884  -2.409
  481   HH21  ARG  80          1HH1      ARG  80   9.201 -14.212   1.098
  482   HH22  ARG  80          2HH1      ARG  80   9.861 -15.194  -0.171
  483    H    ILE  81           H        ILE  81   4.673  -8.122  -2.810
  484    HA   ILE  81           HA       ILE  81   3.809  -6.677  -0.340
  485    HB   ILE  81           HB       ILE  81   2.375  -5.360  -1.726
  486   HG12  ILE  81          2HG1      ILE  81   3.719  -6.268  -4.282
  487   HG21  ILE  81          1HG2      ILE  81   4.821  -4.727  -1.250
  488   HG22  ILE  81          2HG2      ILE  81   5.183  -5.202  -2.909
  489   HG23  ILE  81          3HG2      ILE  81   4.020  -3.897  -2.594
  490   HD11  ILE  81          3HD1      ILE  81   1.707  -5.412  -5.303
  491   HD12  ILE  81          1HD1      ILE  81   0.902  -5.294  -3.732
  492   HD13  ILE  81          2HD1      ILE  81   2.246  -4.200  -4.122
  493    H    THR  82           H        THR  82   1.839  -6.956   0.440
  494    HA   THR  82           HA       THR  82   0.186  -9.256  -0.530
  495    HB   THR  82           HB       THR  82   0.721  -7.969   2.142
  496    HG1  THR  82           HG1      THR  82   0.912 -10.099   2.688
  497   HG21  THR  82          1HG2      THR  82  -1.741  -7.843   2.157
  498   HG22  THR  82          2HG2      THR  82  -1.842  -9.485   1.544
  499   HG23  THR  82          3HG2      THR  82  -1.183  -9.178   3.154
  500    H    ASP  83           H        ASP  83  -0.832  -8.202  -2.339
  501    HA   ASP  83           HA       ASP  83  -2.120  -5.605  -1.876
  502    HB2  ASP  83           2HB      ASP  83  -1.755  -7.378  -4.200
  503    H    CYS  84           H        CYS  84  -4.388  -5.324  -1.501
  504    HA   CYS  84           HA       CYS  84  -5.806  -7.731  -0.424
  505    HB2  CYS  84           2HB      CYS  84  -4.661  -6.440   1.413
  506    H    ARG  85           H        ARG  85  -7.811  -7.898  -1.412
  507    HA   ARG  85           HA       ARG  85  -9.111  -5.334  -2.218
  508    HB2  ARG  85           2HB      ARG  85  -7.925  -6.851  -4.142
  509    HG2  ARG  85           2HG      ARG  85 -10.520  -5.334  -4.075
  510    HD2  ARG  85           2HD      ARG  85  -9.454  -6.114  -6.739
  511    HE   ARG  85           HE       ARG  85 -11.547  -4.487  -5.673
  512   HH11  ARG  85          1HH2      ARG  85 -11.134  -6.861  -8.203
  513   HH12  ARG  85          2HH2      ARG  85 -12.621  -6.502  -9.030
  514   HH21  ARG  85          1HH1      ARG  85 -13.665  -4.140  -6.528
  515   HH22  ARG  85          2HH1      ARG  85 -14.020  -4.760  -8.110
  516    H    GLU  86           H        GLU  86 -11.412  -5.421  -2.403
  517    HA   GLU  86           HA       GLU  86 -12.853  -7.342  -0.806
  518    HB2  GLU  86           2HB      GLU  86 -14.824  -6.297  -1.994
  519    HG2  GLU  86           2HG      GLU  86 -12.865  -4.371  -3.281
  520    H    THR  87           H        THR  87 -13.980  -9.172  -1.515
  521    HA   THR  87           HA       THR  87 -14.479  -9.629  -4.357
  522    HB   THR  87           HB       THR  87 -13.590 -11.871  -4.386
  523    HG1  THR  87           HG1      THR  87 -12.504 -12.700  -2.540
  524   HG21  THR  87          1HG2      THR  87 -11.952 -10.094  -4.861
  525   HG22  THR  87          2HG2      THR  87 -11.442 -10.128  -3.152
  526   HG23  THR  87          3HG2      THR  87 -11.217 -11.559  -4.180
  527    H    GLY  88           H        GLY  88 -15.465 -12.264  -3.827
  528    HA2  GLY  88           2HA      GLY  88 -17.589 -13.090  -3.371
  529    H    SER  89           H        SER  89 -18.377 -10.434  -3.331
  530    HA   SER  89           HA       SER  89 -20.123  -9.196  -2.646
  531    HB2  SER  89           2HB      SER  89 -20.888 -11.535  -0.849
  532    HG   SER  89           HG       SER  89 -22.108 -12.154  -2.657
  533    H    SER  90           H        SER  90 -18.547  -7.699  -1.744
  534    HA   SER  90           HA       SER  90 -17.631  -7.821   0.933
  535    HB2  SER  90           2HB      SER  90 -17.117  -5.291   0.191
  536    HG   SER  90           HG       SER  90 -17.004  -5.243  -2.106
  537    H    LYS  91           H        LYS  91 -19.712  -8.429   1.816
  538    HA   LYS  91           HA       LYS  91 -21.762  -6.530   2.434
  539    HB2  LYS  91           2HB      LYS  91 -20.704  -9.029   3.827
  540    HG2  LYS  91           2HG      LYS  91 -23.248  -8.495   2.211
  541    HD2  LYS  91           2HD      LYS  91 -23.404 -11.010   2.246
  542    HE2  LYS  91           2HE      LYS  91 -23.590  -9.748   5.030
  543    HZ1  LYS  91           3HZ      LYS  91 -25.351 -11.326   5.312
  544    HZ2  LYS  91           1HZ      LYS  91 -25.092 -11.980   3.830
  545    HZ3  LYS  91           2HZ      LYS  91 -23.946 -12.122   5.005
  546    H    TYR  92           H        TYR  92 -22.086  -5.652   4.668
  547    HA   TYR  92           HA       TYR  92 -19.563  -4.827   6.004
  548    HB2  TYR  92           2HB      TYR  92 -19.986  -3.001   4.681
  549    HD1  TYR  92           HD2      TYR  92 -23.005  -2.400   6.760
  550    HD2  TYR  92           HD1      TYR  92 -18.751  -1.788   6.450
  551    HE1  TYR  92           HE2      TYR  92 -23.120  -0.735   8.578
  552    HE2  TYR  92           HE1      TYR  92 -18.871  -0.093   8.255
  553    HH   TYR  92           HH       TYR  92 -21.948   0.748   9.885
  554    HA   PRO  93           HA       PRO  93 -18.992  -4.119   8.034
  555    HB2  PRO  93           2HB      PRO  93 -18.300  -5.231  10.361
  556    HG2  PRO  93           2HG      PRO  93 -20.104  -6.812  10.481
  557    HD2  PRO  93           2HD      PRO  93 -22.129  -6.413   9.349
  558    H    ASN  94           H        ASN  94 -20.151  -7.217   7.267
  559    HA   ASN  94           HA       ASN  94 -17.779  -8.806   7.769
  560    HB2  ASN  94           2HB      ASN  94 -20.353  -9.270   6.208
  561   HD21  ASN  94          2HD2      ASN  94 -21.724  -8.885   8.074
  562   HD22  ASN  94          1HD2      ASN  94 -21.565  -9.878   9.510
  563    H    CYS  95           H        CYS  95 -16.478  -6.976   6.643
  564    HA   CYS  95           HA       CYS  95 -16.693  -6.662   3.847
  565    HB2  CYS  95           2HB      CYS  95 -15.700  -5.019   5.281
  566    H    ALA  96           H        ALA  96 -16.530  -8.323   2.544
  567    HA   ALA  96           HA       ALA  96 -15.014 -10.667   2.965
  568    HB1  ALA  96           3HB      ALA  96 -15.908 -11.267   0.723
  569    HB2  ALA  96           1HB      ALA  96 -17.163 -10.519   1.743
  570    HB3  ALA  96           2HB      ALA  96 -16.373  -9.578   0.470
  571    H    TYR  97           H        TYR  97 -12.835  -9.534   3.274
  572    HA   TYR  97           HA       TYR  97 -11.506  -8.691   0.820
  573    HB2  TYR  97           2HB      TYR  97 -10.536  -9.182   3.668
  574    HD1  TYR  97           HD1      TYR  97 -10.071  -6.550   1.034
  575    HD2  TYR  97           HD2      TYR  97 -11.364  -7.421   5.051
  576    HE1  TYR  97           HE1      TYR  97  -9.821  -4.169   1.627
  577    HE2  TYR  97           HE2      TYR  97 -11.134  -5.033   5.638
  578    HH   TYR  97           HH       TYR  97 -10.356  -2.955   4.936
  579    H    LYS  98           H        LYS  98  -9.742  -9.503  -0.175
  580    HA   LYS  98           HA       LYS  98  -8.863 -12.272   0.357
  581    HB2  LYS  98           2HB      LYS  98 -10.760 -11.980  -1.382
  582    HG2  LYS  98           2HG      LYS  98  -9.516 -14.071  -1.248
  583    HD2  LYS  98           2HD      LYS  98  -7.231 -13.517  -1.821
  584    HE2  LYS  98           2HE      LYS  98  -8.351 -12.626  -4.544
  585    HZ1  LYS  98           3HZ      LYS  98  -5.918 -12.110  -4.877
  586    HZ2  LYS  98           1HZ      LYS  98  -5.605 -13.091  -3.623
  587    HZ3  LYS  98           2HZ      LYS  98  -6.312 -13.723  -4.978
  588    H    THR  99           H        THR  99  -6.706 -12.350   0.343
  589    HA   THR  99           HA       THR  99  -5.102 -10.048  -0.399
  590    HB   THR  99           HB       THR  99  -4.593 -12.734   0.850
  591    HG1  THR  99           HG1      THR  99  -4.256 -11.448   2.655
  592   HG21  THR  99          1HG2      THR  99  -2.536 -12.481  -0.256
  593   HG22  THR  99          2HG2      THR  99  -2.522 -10.726  -0.041
  594   HG23  THR  99          3HG2      THR  99  -2.240 -11.810   1.349
  595    H    THR 100           H        THR 100  -3.718  -9.899  -2.121
  596    HA   THR 100           HA       THR 100  -3.201 -12.250  -3.890
  597    HB   THR 100           HB       THR 100  -3.524  -9.319  -4.660
  598    HG1  THR 100           HG1      THR 100  -5.378  -9.944  -5.584
  599   HG21  THR 100          1HG2      THR 100  -1.852 -10.402  -6.070
  600   HG22  THR 100          2HG2      THR 100  -2.922 -11.795  -6.350
  601   HG23  THR 100          3HG2      THR 100  -3.341 -10.192  -6.995
  602    H    GLN 101           H        GLN 101  -1.215 -12.836  -2.999
  603    HA   GLN 101           HA       GLN 101   0.730 -10.825  -2.184
  604    HB2  GLN 101           2HB      GLN 101   0.421 -13.123  -1.142
  605    HG2  GLN 101           2HG      GLN 101   2.395 -11.829  -0.620
  606   HE21  GLN 101          2HE2      GLN 101   3.388 -14.082  -3.323
  607   HE22  GLN 101          1HE2      GLN 101   4.575 -12.970  -3.987
  608    H    VAL 102           H        VAL 102   2.264  -9.910  -3.606
  609    HA   VAL 102           HA       VAL 102   3.266 -11.502  -5.817
  610    HB   VAL 102           HB       VAL 102   2.944  -9.718  -7.512
  611   HG11  VAL 102          1HG1      VAL 102   1.538 -11.750  -7.531
  612   HG12  VAL 102          2HG1      VAL 102   0.285 -10.849  -6.645
  613   HG13  VAL 102          3HG1      VAL 102   0.772 -10.329  -8.260
  614   HG21  VAL 102          3HG2      VAL 102   1.076  -8.086  -7.225
  615   HG22  VAL 102          1HG2      VAL 102   0.885  -8.599  -5.545
  616   HG23  VAL 102          2HG2      VAL 102   2.379  -7.798  -6.068
  617    H    GLU 103           H        GLU 103   5.355 -10.990  -6.273
  618    HA   GLU 103           HA       GLU 103   6.654  -8.754  -4.968
  619    HB2  GLU 103           2HB      GLU 103   8.567  -9.854  -6.570
  620    HG2  GLU 103           2HG      GLU 103   7.002 -11.781  -7.196
  621    H    LYS 104           H        LYS 104   6.455  -6.692  -5.710
  622    HA   LYS 104           HA       LYS 104   6.772  -6.102  -8.607
  623    HB2  LYS 104           2HB      LYS 104   4.321  -5.662  -6.943
  624    HG2  LYS 104           2HG      LYS 104   3.286  -5.473  -9.165
  625    HD2  LYS 104           2HD      LYS 104   4.811  -8.059  -9.417
  626    HE2  LYS 104           2HE      LYS 104   2.453  -8.885  -9.659
  627    HZ1  LYS 104           3HZ      LYS 104   1.909  -7.706 -11.666
  628    HZ2  LYS 104           1HZ      LYS 104   2.976  -6.505 -11.314
  629    HZ3  LYS 104           2HZ      LYS 104   3.524  -8.024 -11.629
  630    H    HIS 105           H        HIS 105   7.165  -3.699  -8.856
  631    HA   HIS 105           HA       HIS 105   8.913  -2.666  -6.703
  632    HB2  HIS 105           2HB      HIS 105   7.668  -0.991  -8.913
  633    HD1  HIS 105           HD1      HIS 105   7.896  -2.555 -10.947
  634    HD2  HIS 105           HD2      HIS 105  11.424  -1.551  -8.878
  635    HE1  HIS 105           HE1      HIS 105   9.866  -3.105 -12.545
  636    HE2  HIS 105           HE2      HIS 105  12.006  -2.486 -11.255
  637    H    ILE 106           H        ILE 106   8.274  -1.044  -5.185
  638    HA   ILE 106           HA       ILE 106   5.327  -0.528  -5.013
  639    HB   ILE 106           HB       ILE 106   5.721   0.174  -2.739
  640   HG12  ILE 106          2HG1      ILE 106   8.568  -0.824  -3.031
  641   HG21  ILE 106          1HG2      ILE 106   5.090  -2.138  -3.365
  642   HG22  ILE 106          2HG2      ILE 106   6.792  -2.627  -3.354
  643   HG23  ILE 106          3HG2      ILE 106   6.006  -2.120  -1.852
  644   HD11  ILE 106          3HD1      ILE 106   8.846   0.182  -0.767
  645   HD12  ILE 106          1HD1      ILE 106   7.089   0.401  -0.674
  646   HD13  ILE 106          2HD1      ILE 106   7.797  -1.240  -0.763
  647    H    ILE 107           H        ILE 107   4.589   1.537  -5.184
  648    HA   ILE 107           HA       ILE 107   6.567   3.625  -5.845
  649    HB   ILE 107           HB       ILE 107   3.725   3.529  -6.859
  650   HG12  ILE 107          2HG1      ILE 107   4.762   1.481  -7.694
  651   HG21  ILE 107          1HG2      ILE 107   4.837   5.691  -6.906
  652   HG22  ILE 107          2HG2      ILE 107   6.215   5.020  -7.782
  653   HG23  ILE 107          3HG2      ILE 107   4.612   5.087  -8.554
  654   HD11  ILE 107          3HD1      ILE 107   6.505   1.519  -9.360
  655   HD12  ILE 107          1HD1      ILE 107   6.776   3.251  -9.113
  656   HD13  ILE 107          2HD1      ILE 107   7.134   2.089  -7.808
  657    H    VAL 108           H        VAL 108   6.552   5.237  -4.262
  658    HA   VAL 108           HA       VAL 108   4.074   5.537  -2.605
  659    HB   VAL 108           HB       VAL 108   5.355   5.787  -0.598
  660   HG11  VAL 108          1HG1      VAL 108   4.561   3.537  -1.224
  661   HG12  VAL 108          2HG1      VAL 108   6.130   3.190  -1.982
  662   HG13  VAL 108          3HG1      VAL 108   6.030   3.487  -0.235
  663   HG21  VAL 108          3HG2      VAL 108   7.767   5.250  -0.488
  664   HG22  VAL 108          1HG2      VAL 108   7.823   5.176  -2.265
  665   HG23  VAL 108          2HG2      VAL 108   7.443   6.702  -1.445
  666    H    ALA 109           H        ALA 109   3.741   7.502  -1.584
  667    HA   ALA 109           HA       ALA 109   4.487   9.801  -3.260
  668    HB1  ALA 109           3HB      ALA 109   2.630  10.863  -2.082
  669    HB2  ALA 109           1HB      ALA 109   2.125   9.237  -2.625
  670    HB3  ALA 109           2HB      ALA 109   2.594   9.520  -0.935
  671    H    CYS 110           H        CYS 110   6.339  10.867  -2.643
  672    HA   CYS 110           HA       CYS 110   7.328  10.617   0.143
  673    HB2  CYS 110           2HB      CYS 110   8.615   9.808  -1.905
  674    H    GLY 111           H        GLY 111   7.908  12.411   1.391
  675    HA2  GLY 111           2HA      GLY 111   8.366  15.019   0.476
  676    H    GLY 112           H        GLY 112   6.763  16.362   2.539
  677    HA2  GLY 112           2HA      GLY 112   6.708  16.887   4.751
  678    H    LYS 113           H        LYS 113   9.167  17.427   3.802
  679    HA   LYS 113           HA       LYS 113  11.448  16.547   4.212
  680    HB2  LYS 113           2HB      LYS 113  12.444  18.648   4.652
  681    HG2  LYS 113           2HG      LYS 113  10.478  20.520   4.946
  682    HD2  LYS 113           2HD      LYS 113  12.446  19.314   6.888
  683    HE2  LYS 113           2HE      LYS 113  11.718  21.252   8.457
  684    HZ1  LYS 113           3HZ      LYS 113   9.883  19.781   9.384
  685    HZ2  LYS 113           1HZ      LYS 113  10.276  18.720   8.165
  686    HZ3  LYS 113           2HZ      LYS 113  11.394  19.136   9.261
  687    HA   PRO 114           HA       PRO 114  13.562  15.889   4.947
  688    HB2  PRO 114           2HB      PRO 114  14.488  13.456   5.834
  689    HG2  PRO 114           2HG      PRO 114  12.760  13.149   7.495
  690    HD2  PRO 114           2HD      PRO 114  11.656  14.996   8.451
  691    H    SER 115           H        SER 115  13.862  13.689   3.502
  692    HA   SER 115           HA       SER 115  11.344  13.492   2.231
  693    HB2  SER 115           2HB      SER 115  12.861  11.660   0.978
  694    HG   SER 115           HG       SER 115  15.003  11.925   1.416
  695    H    VAL 116           H        VAL 116   9.787  12.516   3.573
  696    HA   VAL 116           HA       VAL 116  10.224   9.616   4.147
  697    HB   VAL 116           HB       VAL 116   8.724   9.843   6.037
  698   HG11  VAL 116          1HG1      VAL 116  11.194  10.093   6.299
  699   HG12  VAL 116          2HG1      VAL 116  11.016  11.850   6.163
  700   HG13  VAL 116          3HG1      VAL 116  10.278  10.998   7.526
  701   HG21  VAL 116          3HG2      VAL 116   8.072  12.032   6.936
  702   HG22  VAL 116          1HG2      VAL 116   8.791  12.853   5.546
  703   HG23  VAL 116          2HG2      VAL 116   7.374  11.812   5.327
  704    HA   PRO 117           HA       PRO 117   6.662   9.261   1.531
  705    HB2  PRO 117           2HB      PRO 117   5.923   6.680   1.837
  706    HG2  PRO 117           2HG      PRO 117   7.286   6.009   3.692
  707    HD2  PRO 117           2HD      PRO 117   8.716   7.616   4.605
  708    H    VAL 118           H        VAL 118   4.640   9.900   1.809
  709    HA   VAL 118           HA       VAL 118   3.320   9.495   4.487
  710    HB   VAL 118           HB       VAL 118   2.371  11.712   4.313
  711   HG11  VAL 118          1HG1      VAL 118   4.522  11.399   5.484
  712   HG12  VAL 118          2HG1      VAL 118   5.392  11.817   3.990
  713   HG13  VAL 118          3HG1      VAL 118   4.359  13.018   4.783
  714   HG21  VAL 118          3HG2      VAL 118   3.162  13.334   2.615
  715   HG22  VAL 118          1HG2      VAL 118   4.141  12.088   1.829
  716   HG23  VAL 118          2HG2      VAL 118   2.369  11.973   1.808
  717    H    HIS 119           H        HIS 119   3.065   8.734   1.214
  718    HA   HIS 119           HA       HIS 119   0.359   7.795   1.667
  719    HB2  HIS 119           2HB      HIS 119   0.631  10.235   0.250
  720    HD1  HIS 119           HD1      HIS 119  -1.990   8.989  -1.725
  721    HD2  HIS 119           HD2      HIS 119  -1.404   9.673   2.408
  722    HE1  HIS 119           HE1      HIS 119  -4.316   9.417  -0.714
  723    HE2  HIS 119           HE2      HIS 119  -3.949   9.820   1.797
  724    H    PHE 120           H        PHE 120  -0.238   6.332  -0.177
  725    HA   PHE 120           HA       PHE 120   2.145   4.947  -1.341
  726    HB2  PHE 120           2HB      PHE 120   0.941   3.475   0.144
  727    HD1  PHE 120           HD1      PHE 120   2.575   2.254  -1.469
  728    HD2  PHE 120           HD2      PHE 120  -1.603   2.890  -2.365
  729    HE1  PHE 120           HE1      PHE 120   2.622   0.377  -3.086
  730    HE2  PHE 120           HE2      PHE 120  -1.559   0.955  -3.907
  731    HZ   PHE 120           HZ       PHE 120   0.538  -0.310  -4.251
  732    H    ASP 121           H        ASP 121   2.103   4.740  -3.627
  733    HA   ASP 121           HA       ASP 121  -0.076   6.216  -5.039
  734    HB2  ASP 121           2HB      ASP 121   2.176   7.045  -5.450
  735    H    ALA 122           H        ALA 122   2.016   3.284  -5.525
  736    HA   ALA 122           HA       ALA 122  -0.174   1.524  -6.151
  737    HB1  ALA 122           3HB      ALA 122   0.270   1.341  -8.591
  738    HB2  ALA 122           1HB      ALA 122  -0.307   2.962  -8.184
  739    HB3  ALA 122           2HB      ALA 122   1.420   2.691  -8.482
  740    H    SER 123           H        SER 123   0.973  -0.476  -7.471
  741    HA   SER 123           HA       SER 123   3.843  -0.522  -6.973
  742    HB2  SER 123           2HB      SER 123   2.193  -2.956  -6.165
  743    HG   SER 123           HG       SER 123   2.750  -2.282  -4.013
  744    H    VAL 124           H        VAL 124   4.903  -1.413  -8.692
  745    HA   VAL 124           HA       VAL 124   3.973  -3.599 -10.047
  746    HB   VAL 124           HB       VAL 124   2.608  -1.495 -11.137
  747   HG11  VAL 124          1HG1      VAL 124   4.556  -0.514 -12.258
  748   HG12  VAL 124          2HG1      VAL 124   4.848  -2.056 -13.105
  749   HG13  VAL 124          3HG1      VAL 124   3.361  -1.139 -13.401
  750   HG21  VAL 124          3HG2      VAL 124   2.021  -3.140 -12.883
  751   HG22  VAL 124          1HG2      VAL 124   3.414  -4.138 -12.403
  752   HG23  VAL 124          2HG2      VAL 124   2.068  -3.872 -11.274
  Start of MODEL    6
    1    HA   LYS   1           HA       LYS   1   2.207  13.148  17.342
    2    HB2  LYS   1           2HB      LYS   1   4.819  11.673  16.789
    3    HG2  LYS   1           2HG      LYS   1   4.041  13.624  18.998
    4    HD2  LYS   1           2HD      LYS   1   6.187  14.329  18.063
    5    HE2  LYS   1           2HE      LYS   1   7.081  11.456  18.649
    6    HZ1  LYS   1           2HZ      LYS   1   8.774  13.046  19.272
    7    HZ2  LYS   1           3HZ      LYS   1   9.225  12.216  17.929
    8    HZ3  LYS   1           1HZ      LYS   1   8.703  13.766  17.792
    9    H    GLU   2           H        GLU   2   0.514  12.813  15.693
   10    HA   GLU   2           HA       GLU   2   1.184  11.050  13.468
   11    HB2  GLU   2           2HB      GLU   2  -1.085  11.134  14.458
   12    HG2  GLU   2           2HG      GLU   2  -1.037  11.970  11.529
   13    H    SER   3           H        SER   3   3.194  12.521  13.102
   14    HA   SER   3           HA       SER   3   2.780  14.774  11.338
   15    HB2  SER   3           2HB      SER   3   5.169  12.939  11.539
   16    HG   SER   3           HG       SER   3   4.441  15.159  13.160
   17    H    ALA   4           H        ALA   4   0.998  12.858  10.484
   18    HA   ALA   4           HA       ALA   4   0.196  11.622   8.784
   19    HB1  ALA   4           3HB      ALA   4   0.859  12.310   6.544
   20    HB2  ALA   4           1HB      ALA   4   0.684  13.710   7.624
   21    HB3  ALA   4           2HB      ALA   4   2.301  13.128   7.182
   22    H    ALA   5           H        ALA   5   3.687  11.570   8.015
   23    HA   ALA   5           HA       ALA   5   3.783   9.345   6.454
   24    HB1  ALA   5           3HB      ALA   5   6.159   9.157   7.060
   25    HB2  ALA   5           1HB      ALA   5   5.670  10.846   6.821
   26    HB3  ALA   5           2HB      ALA   5   5.901  10.216   8.465
   27    H    ALA   6           H        ALA   6   4.440   9.231   9.985
   28    HA   ALA   6           HA       ALA   6   4.814   6.484  10.216
   29    HB1  ALA   6           3HB      ALA   6   4.317   6.796  12.606
   30    HB2  ALA   6           1HB      ALA   6   5.337   8.107  11.980
   31    HB3  ALA   6           2HB      ALA   6   3.602   8.387  12.262
   32    H    LYS   7           H        LYS   7   1.735   8.250  10.065
   33    HA   LYS   7           HA       LYS   7   0.142   5.964  11.033
   34    HB2  LYS   7           2HB      LYS   7  -0.403   8.201  11.688
   35    HG2  LYS   7           2HG      LYS   7  -2.351   6.551  10.391
   36    HD2  LYS   7           2HD      LYS   7  -2.557   9.561   9.817
   37    HE2  LYS   7           2HE      LYS   7  -4.953   8.915   9.106
   38    HZ1  LYS   7           3HZ      LYS   7  -5.791   9.207  11.401
   39    HZ2  LYS   7           1HZ      LYS   7  -4.232   9.057  11.975
   40    HZ3  LYS   7           2HZ      LYS   7  -4.566  10.260  11.028
   41    H    PHE   8           H        PHE   8   0.709   7.790   8.010
   42    HA   PHE   8           HA       PHE   8  -0.816   6.219   6.174
   43    HB2  PHE   8           2HB      PHE   8   0.100   8.076   5.174
   44    HD1  PHE   8           HD1      PHE   8  -0.292   5.945   3.531
   45    HD2  PHE   8           HD2      PHE   8   3.539   7.121   5.097
   46    HE1  PHE   8           HE1      PHE   8   0.832   4.699   1.731
   47    HE2  PHE   8           HE2      PHE   8   4.660   5.793   3.372
   48    HZ   PHE   8           HZ       PHE   8   3.340   4.724   1.552
   49    H    GLU   9           H        GLU   9   2.549   5.831   7.266
   50    HA   GLU   9           HA       GLU   9   3.200   3.377   6.128
   51    HB2  GLU   9           2HB      GLU   9   4.144   4.866   8.561
   52    HG2  GLU   9           2HG      GLU   9   5.573   3.697   6.157
   53    H    ARG  10           H        ARG  10   2.165   3.786   9.586
   54    HA   ARG  10           HA       ARG  10   2.091   1.050   9.877
   55    HB2  ARG  10           2HB      ARG  10   0.574   3.146  11.472
   56    HG2  ARG  10           2HG      ARG  10   3.291   2.950  11.243
   57    HD2  ARG  10           2HD      ARG  10   3.129   0.521  12.090
   58    HE   ARG  10           HE       ARG  10   1.995   1.875  14.348
   59   HH11  ARG  10          1HH2      ARG  10   4.362  -0.625  13.598
   60   HH12  ARG  10          2HH2      ARG  10   4.343  -1.367  15.166
   61   HH21  ARG  10          1HH1      ARG  10   1.959   0.937  16.484
   62   HH22  ARG  10          2HH1      ARG  10   2.915  -0.462  16.836
   63    H    GLN  11           H        GLN  11  -0.447   3.028   8.480
   64    HA   GLN  11           HA       GLN  11  -2.568   1.030   8.726
   65    HB2  GLN  11           2HB      GLN  11  -2.191   3.520   7.053
   66    HG2  GLN  11           2HG      GLN  11  -4.176   2.943   9.315
   67   HE21  GLN  11          2HE2      GLN  11  -2.212   5.548   7.858
   68   HE22  GLN  11          1HE2      GLN  11  -3.571   6.622   7.478
   69    H    HIS  12           H        HIS  12   0.150   1.306   6.572
   70    HA   HIS  12           HA       HIS  12  -1.214  -0.471   4.561
   71    HB2  HIS  12           2HB      HIS  12  -0.890   0.969   2.871
   72    HD1  HIS  12           HD1      HIS  12   1.572   3.126   4.838
   73    HD2  HIS  12           HD2      HIS  12   1.400   0.417   1.615
   74    HE1  HIS  12           HE1      HIS  12   3.966   3.018   3.841
   75    HE2  HIS  12           HE2      HIS  12   3.832   1.405   1.845
   76    H    MET  13           H        MET  13   1.864   0.709   5.820
   77    HA   MET  13           HA       MET  13   3.474  -1.429   4.749
   78    HB2  MET  13           2HB      MET  13   3.975   1.096   5.674
   79    HG2  MET  13           2HG      MET  13   5.433  -0.217   4.278
   80    HE1  MET  13           3HE      MET  13   8.453  -2.522   4.890
   81    HE2  MET  13           1HE      MET  13   7.421  -1.808   3.654
   82    HE3  MET  13           2HE      MET  13   8.330  -0.767   4.764
   83    H    ASP  14           H        ASP  14   1.756  -2.990   5.467
   84    HA   ASP  14           HA       ASP  14   1.322  -3.868   8.082
   85    HB2  ASP  14           2HB      ASP  14   0.189  -4.653   6.002
   86    H    SER  15           H        SER  15   3.931  -4.534   5.883
   87    HA   SER  15           HA       SER  15   6.100  -4.711   6.138
   88    HB2  SER  15           2HB      SER  15   7.240  -4.056   8.084
   89    HG   SER  15           HG       SER  15   4.989  -4.950   9.553
   90    H    GLY  16           H        GLY  16   7.963  -6.005   7.064
   91    HA2  GLY  16           2HA      GLY  16   8.900  -8.048   7.639
   92    H    ASN  17           H        ASN  17   9.420  -9.928   6.352
   93    HA   ASN  17           HA       ASN  17   9.145  -9.423   3.584
   94    HB2  ASN  17           2HB      ASN  17  11.100 -10.407   4.748
   95   HD21  ASN  17          2HD2      ASN  17  10.948  -9.780   2.129
   96   HD22  ASN  17          1HD2      ASN  17  11.268 -11.206   1.150
   97    H    SER  18           H        SER  18   8.756 -11.682   2.128
   98    HA   SER  18           HA       SER  18   6.372 -12.009   1.316
   99    HB2  SER  18           2HB      SER  18   8.231 -14.348   1.830
  100    HG   SER  18           HG       SER  18   9.408 -13.525   0.112
  101    HA   PRO  19           HA       PRO  19   4.250 -14.046   4.861
  102    HB2  PRO  19           2HB      PRO  19   1.748 -13.131   4.438
  103    HG2  PRO  19           2HG      PRO  19   2.027 -12.265   2.247
  104    HD2  PRO  19           2HD      PRO  19   4.111 -11.985   1.369
  105    H    SER  20           H        SER  20   2.467 -15.717   4.891
  106    HA   SER  20           HA       SER  20   2.967 -17.511   2.701
  107    HB2  SER  20           2HB      SER  20   1.629 -18.991   4.413
  108    HG   SER  20           HG       SER  20   1.908 -18.018   6.539
  109    H    SER  21           H        SER  21  -0.079 -16.679   4.374
  110    HA   SER  21           HA       SER  21  -1.600 -17.925   2.191
  111    HB2  SER  21           2HB      SER  21  -3.483 -17.851   3.685
  112    HG   SER  21           HG       SER  21  -1.779 -16.365   5.429
  113    H    SER  22           H        SER  22  -3.437 -15.498   3.689
  114    HA   SER  22           HA       SER  22  -2.863 -13.294   2.030
  115    HB2  SER  22           2HB      SER  22  -4.890 -13.458   0.475
  116    HG   SER  22           HG       SER  22  -4.744 -16.220   1.068
  117    H    SER  23           H        SER  23  -6.044 -14.659   2.551
  118    HA   SER  23           HA       SER  23  -7.516 -12.490   3.349
  119    HB2  SER  23           2HB      SER  23  -8.887 -14.246   4.633
  120    HG   SER  23           HG       SER  23  -8.103 -16.397   4.289
  121    H    ASN  24           H        ASN  24  -5.799 -14.683   5.518
  122    HA   ASN  24           HA       ASN  24  -6.410 -13.690   7.965
  123    HB2  ASN  24           2HB      ASN  24  -3.675 -14.635   7.049
  124   HD21  ASN  24          2HD2      ASN  24  -4.010 -16.738   6.260
  125   HD22  ASN  24          1HD2      ASN  24  -5.145 -17.861   6.996
  126    H    TYR  25           H        TYR  25  -3.417 -12.488   6.357
  127    HA   TYR  25           HA       TYR  25  -3.056 -10.392   8.227
  128    HB2  TYR  25           2HB      TYR  25  -2.193  -9.936   5.389
  129    HD1  TYR  25           HD2      TYR  25  -0.658 -11.835   8.272
  130    HD2  TYR  25           HD1      TYR  25  -1.587 -11.703   4.071
  131    HE1  TYR  25           HE2      TYR  25   0.088 -14.186   8.036
  132    HE2  TYR  25           HE1      TYR  25  -0.814 -14.017   3.815
  133    HH   TYR  25           HH       TYR  25   0.576 -15.986   6.339
  134    H    CYS  26           H        CYS  26  -4.874 -10.623   5.222
  135    HA   CYS  26           HA       CYS  26  -5.264  -7.909   4.582
  136    HB2  CYS  26           2HB      CYS  26  -6.279 -10.414   3.701
  137    H    ASN  27           H        ASN  27  -7.394 -10.102   6.404
  138    HA   ASN  27           HA       ASN  27  -9.202  -7.948   7.198
  139    HB2  ASN  27           2HB      ASN  27  -9.086 -10.854   8.081
  140   HD21  ASN  27          2HD2      ASN  27  -8.853 -11.507   5.784
  141   HD22  ASN  27          1HD2      ASN  27 -10.173 -11.294   4.645
  142    H    LEU  28           H        LEU  28  -6.654  -9.917   8.790
  143    HA   LEU  28           HA       LEU  28  -7.023  -9.078  11.399
  144    HB2  LEU  28           2HB      LEU  28  -5.481 -10.882  10.691
  145    HG   LEU  28           HG       LEU  28  -3.900  -8.720  12.159
  146   HD11  LEU  28          1HD1      LEU  28  -5.971  -9.127  13.403
  147   HD12  LEU  28          2HD1      LEU  28  -5.764 -10.887  13.235
  148   HD13  LEU  28          3HD1      LEU  28  -4.636  -9.938  14.224
  149   HD21  LEU  28          3HD2      LEU  28  -2.618 -10.624  13.032
  150   HD22  LEU  28          1HD2      LEU  28  -3.603 -11.751  12.074
  151   HD23  LEU  28          2HD2      LEU  28  -2.544 -10.578  11.262
  152    H    MET  29           H        MET  29  -4.774  -7.649   8.969
  153    HA   MET  29           HA       MET  29  -3.870  -5.537  10.626
  154    HB2  MET  29           2HB      MET  29  -2.845  -6.350   8.423
  155    HG2  MET  29           2HG      MET  29  -3.123  -3.500   9.319
  156    HE1  MET  29           3HE      MET  29  -3.691  -2.157   5.758
  157    HE2  MET  29           1HE      MET  29  -4.543  -3.424   6.660
  158    HE3  MET  29           2HE      MET  29  -4.068  -1.925   7.483
  159    H    MET  30           H        MET  30  -6.509  -5.662   8.152
  160    HA   MET  30           HA       MET  30  -7.264  -2.957   8.330
  161    HB2  MET  30           2HB      MET  30  -8.731  -5.504   7.579
  162    HG2  MET  30           2HG      MET  30  -6.932  -4.234   6.171
  163    HE1  MET  30           3HE      MET  30  -7.490  -1.155   3.809
  164    HE2  MET  30           1HE      MET  30  -6.311  -2.343   4.401
  165    HE3  MET  30           2HE      MET  30  -7.755  -2.890   3.493
  166    H    CYS  31           H        CYS  31  -8.346  -5.729  10.280
  167    HA   CYS  31           HA       CYS  31 -10.167  -4.301  11.966
  168    HB2  CYS  31           2HB      CYS  31 -10.182  -6.757  11.765
  169    HG   CYS  31           HG       CYS  31 -10.292  -7.536  14.276
  170    H    CYS  32           H        CYS  32  -6.769  -5.320  12.497
  171    HA   CYS  32           HA       CYS  32  -6.316  -4.261  15.034
  172    HB2  CYS  32           2HB      CYS  32  -4.703  -5.737  13.975
  173    HG   CYS  32           HG       CYS  32  -2.355  -4.505  14.120
  174    H    ARG  33           H        ARG  33  -5.924  -2.646  11.873
  175    HA   ARG  33           HA       ARG  33  -5.295  -0.035  13.168
  176    HB2  ARG  33           2HB      ARG  33  -5.461  -0.795  10.242
  177    HG2  ARG  33           2HG      ARG  33  -3.663  -2.163  11.283
  178    HD2  ARG  33           2HD      ARG  33  -1.565  -0.993  11.920
  179    HE   ARG  33           HE       ARG  33  -3.316  -1.806  13.636
  180   HH11  ARG  33          1HH2      ARG  33  -1.663   1.289  13.707
  181   HH12  ARG  33          2HH2      ARG  33  -2.238   1.745  15.287
  182   HH21  ARG  33          1HH1      ARG  33  -4.366  -1.077  15.558
  183   HH22  ARG  33          2HH1      ARG  33  -3.644   0.212  16.477
  184    H    LYS  34           H        LYS  34  -8.014  -1.636  12.867
  185    HA   LYS  34           HA       LYS  34 -10.101  -1.332  12.122
  186    HB2  LYS  34           2HB      LYS  34  -9.604  -0.450  14.560
  187    HG2  LYS  34           2HG      LYS  34 -11.620  -1.608  14.000
  188    HD2  LYS  34           2HD      LYS  34 -12.562   1.033  12.783
  189    HE2  LYS  34           2HE      LYS  34 -14.632  -0.272  12.198
  190    HZ1  LYS  34           3HZ      LYS  34 -15.664  -0.023  14.311
  191    HZ2  LYS  34           1HZ      LYS  34 -14.216   0.030  15.096
  192    HZ3  LYS  34           2HZ      LYS  34 -14.633   1.234  14.052
  193    H    MET  35           H        MET  35  -9.101  -0.697   9.945
  194    HA   MET  35           HA       MET  35  -9.450   2.113   9.215
  195    HB2  MET  35           2HB      MET  35  -9.162  -0.242   7.334
  196    HG2  MET  35           2HG      MET  35  -7.092   1.465   8.797
  197    HE1  MET  35           3HE      MET  35  -5.471   2.045   5.287
  198    HE2  MET  35           1HE      MET  35  -7.217   2.085   5.587
  199    HE3  MET  35           2HE      MET  35  -6.099   2.809   6.769
  200    H    THR  36           H        THR  36 -11.583  -0.645   9.424
  201    HA   THR  36           HA       THR  36 -13.479   0.097   7.411
  202    HB   THR  36           HB       THR  36 -14.747  -1.772   8.613
  203    HG1  THR  36           HG1      THR  36 -13.459  -2.851  10.195
  204   HG21  THR  36          1HG2      THR  36 -13.166  -2.210   6.730
  205   HG22  THR  36          2HG2      THR  36 -11.835  -2.375   7.889
  206   HG23  THR  36          3HG2      THR  36 -13.188  -3.522   7.915
  207    H    GLN  37           H        GLN  37 -13.025   2.377   9.132
  208    HA   GLN  37           HA       GLN  37 -15.333   2.715  10.907
  209    HB2  GLN  37           2HB      GLN  37 -13.264   4.588   9.705
  210    HG2  GLN  37           2HG      GLN  37 -12.572   3.120  11.647
  211   HE21  GLN  37          2HE2      GLN  37 -14.383   5.903  13.070
  212   HE22  GLN  37          1HE2      GLN  37 -15.194   4.954  14.299
  213    H    GLY  38           H        GLY  38 -17.330   2.644   9.940
  214    HA2  GLY  38           2HA      GLY  38 -19.093   3.598   8.836
  215    H    LYS  39           H        LYS  39 -16.250   2.692   6.916
  216    HA   LYS  39           HA       LYS  39 -17.821   1.107   5.165
  217    HB2  LYS  39           2HB      LYS  39 -17.023   2.291   3.033
  218    HG2  LYS  39           2HG      LYS  39 -16.605   4.567   5.021
  219    HD2  LYS  39           2HD      LYS  39 -16.781   6.006   2.894
  220    HE2  LYS  39           2HE      LYS  39 -18.247   6.365   4.843
  221    HZ1  LYS  39           3HZ      LYS  39 -20.497   5.517   4.726
  222    HZ2  LYS  39           1HZ      LYS  39 -20.110   4.530   3.471
  223    HZ3  LYS  39           2HZ      LYS  39 -19.447   4.287   4.958
  224    H    CYS  40           H        CYS  40 -16.512  -0.217   3.864
  225    HA   CYS  40           HA       CYS  40 -13.896  -0.747   5.088
  226    HB2  CYS  40           2HB      CYS  40 -15.712  -2.366   4.933
  227    H    LYS  41           H        LYS  41 -12.292  -1.790   2.994
  228    HA   LYS  41           HA       LYS  41 -12.159   0.509   1.071
  229    HB2  LYS  41           2HB      LYS  41 -10.001  -0.744   2.725
  230    HG2  LYS  41           2HG      LYS  41  -9.208   1.754   1.890
  231    HD2  LYS  41           2HD      LYS  41  -9.097   0.964   4.190
  232    HE2  LYS  41           2HE      LYS  41 -11.396   0.190   4.624
  233    HZ1  LYS  41           3HZ      LYS  41 -13.064   1.914   5.155
  234    HZ2  LYS  41           1HZ      LYS  41 -12.092   3.075   4.525
  235    HZ3  LYS  41           2HZ      LYS  41 -12.735   1.884   3.561
  236    HA   PRO  42           HA       PRO  42 -13.014  -3.067  -1.447
  237    HB2  PRO  42           2HB      PRO  42 -12.993  -1.908  -3.947
  238    HG2  PRO  42           2HG      PRO  42 -12.203   0.241  -3.236
  239    HD2  PRO  42           2HD      PRO  42 -12.346   0.921  -1.024
  240    H    VAL  43           H        VAL  43 -10.241  -0.919  -1.915
  241    HA   VAL  43           HA       VAL  43  -8.526  -3.224  -2.492
  242    HB   VAL  43           HB       VAL  43  -7.239  -1.750  -4.117
  243   HG11  VAL  43          1HG1      VAL  43  -8.426  -3.705  -4.869
  244   HG12  VAL  43          2HG1      VAL  43  -9.957  -2.800  -4.987
  245   HG13  VAL  43          3HG1      VAL  43  -8.599  -2.412  -6.061
  246   HG21  VAL  43          3HG2      VAL  43  -8.445  -0.057  -5.383
  247   HG22  VAL  43          1HG2      VAL  43  -9.893  -0.267  -4.388
  248   HG23  VAL  43          2HG2      VAL  43  -8.410   0.410  -3.678
  249    H    ASN  44           H        ASN  44  -6.569  -3.029  -1.399
  250    HA   ASN  44           HA       ASN  44  -5.441  -0.417  -0.806
  251    HB2  ASN  44           2HB      ASN  44  -6.968  -0.767   1.173
  252   HD21  ASN  44          2HD2      ASN  44  -4.488  -1.963   3.122
  253   HD22  ASN  44          1HD2      ASN  44  -3.645  -0.457   3.371
  254    H    THR  45           H        THR  45  -3.347  -0.824  -1.572
  255    HA   THR  45           HA       THR  45  -2.312  -3.486  -1.443
  256    HB   THR  45           HB       THR  45  -0.805  -1.005  -2.202
  257    HG1  THR  45           HG1      THR  45  -2.622  -2.595  -3.734
  258   HG21  THR  45          1HG2      THR  45   0.543  -3.057  -2.077
  259   HG22  THR  45          2HG2      THR  45  -0.638  -3.931  -3.081
  260   HG23  THR  45          3HG2      THR  45   0.312  -2.611  -3.777
  261    H    PHE  46           H        PHE  46  -1.423  -4.426   0.362
  262    HA   PHE  46           HA       PHE  46  -0.332  -2.698   2.476
  263    HB2  PHE  46           2HB      PHE  46  -0.495  -5.703   2.169
  264    HD1  PHE  46           HD1      PHE  46  -2.979  -3.517   2.195
  265    HD2  PHE  46           HD2      PHE  46  -1.203  -6.413   4.855
  266    HE1  PHE  46           HE1      PHE  46  -5.172  -3.917   3.252
  267    HE2  PHE  46           HE2      PHE  46  -3.379  -6.765   5.913
  268    HZ   PHE  46           HZ       PHE  46  -5.376  -5.482   5.152
  269    H    VAL  47           H        VAL  47   1.950  -2.552   2.857
  270    HA   VAL  47           HA       VAL  47   3.735  -3.968   0.885
  271    HB   VAL  47           HB       VAL  47   4.438  -1.659   2.701
  272   HG11  VAL  47          1HG1      VAL  47   6.379  -3.126   2.164
  273   HG12  VAL  47          2HG1      VAL  47   5.970  -3.046   0.445
  274   HG13  VAL  47          3HG1      VAL  47   6.498  -1.587   1.306
  275   HG21  VAL  47          3HG2      VAL  47   4.491  -0.292   0.684
  276   HG22  VAL  47          1HG2      VAL  47   4.072  -1.677  -0.328
  277   HG23  VAL  47          2HG2      VAL  47   2.881  -1.029   0.799
  278    H    HIS  48           H        HIS  48   5.262  -5.377   1.485
  279    HA   HIS  48           HA       HIS  48   5.365  -6.255   4.334
  280    HB2  HIS  48           2HB      HIS  48   4.325  -7.652   1.986
  281    HD1  HIS  48           HD1      HIS  48   5.481  -9.691   4.929
  282    HD2  HIS  48           HD2      HIS  48   2.303  -7.134   3.883
  283    HE1  HIS  48           HE1      HIS  48   3.667  -9.960   6.762
  284    HE2  HIS  48           HE2      HIS  48   1.738  -8.384   6.087
  285    H    GLU  49           H        GLU  49   7.318  -4.922   4.456
  286    HA   GLU  49           HA       GLU  49   9.575  -6.570   3.964
  287    HB2  GLU  49           2HB      GLU  49   9.036  -5.062   1.714
  288    HG2  GLU  49           2HG      GLU  49  11.571  -5.174   1.325
  289    H    SER  50           H        SER  50  11.484  -4.292   4.204
  290    HA   SER  50           HA       SER  50  11.265  -3.702   6.993
  291    HB2  SER  50           2HB      SER  50  13.330  -2.285   5.435
  292    HG   SER  50           HG       SER  50  14.005  -3.798   4.225
  293    H    LEU  51           H        LEU  51  10.468  -1.840   7.918
  294    HA   LEU  51           HA       LEU  51   9.109   0.187   6.593
  295    HB2  LEU  51           2HB      LEU  51   9.005  -0.336   9.015
  296    HG   LEU  51           HG       LEU  51   9.720   2.587   8.486
  297   HD11  LEU  51          1HD1      LEU  51   7.860   2.007   7.052
  298   HD12  LEU  51          2HD1      LEU  51   7.082   1.054   8.342
  299   HD13  LEU  51          3HD1      LEU  51   7.191   2.816   8.469
  300   HD21  LEU  51          3HD2      LEU  51   8.415   3.024  10.518
  301   HD22  LEU  51          1HD2      LEU  51   8.155   1.282  10.752
  302   HD23  LEU  51          2HD2      LEU  51   9.790   1.967  10.878
  303    H    ALA  52           H        ALA  52  12.508   0.222   7.695
  304    HA   ALA  52           HA       ALA  52  13.202   2.812   6.815
  305    HB1  ALA  52           3HB      ALA  52  15.525   1.979   6.909
  306    HB2  ALA  52           1HB      ALA  52  14.598   1.426   8.318
  307    HB3  ALA  52           2HB      ALA  52  14.939   0.304   6.980
  308    H    ASP  53           H        ASP  53  12.790  -0.177   4.898
  309    HA   ASP  53           HA       ASP  53  14.318   0.851   2.634
  310    HB2  ASP  53           2HB      ASP  53  12.533  -1.574   3.026
  311    H    VAL  54           H        VAL  54  10.844   0.545   3.492
  312    HA   VAL  54           HA       VAL  54   9.795   2.051   1.295
  313    HB   VAL  54           HB       VAL  54   8.870   1.521   4.119
  314   HG11  VAL  54          1HG1      VAL  54   8.070   3.765   3.831
  315   HG12  VAL  54          2HG1      VAL  54   7.549   3.429   2.152
  316   HG13  VAL  54          3HG1      VAL  54   6.722   2.670   3.530
  317   HG21  VAL  54          3HG2      VAL  54   7.076   0.387   2.873
  318   HG22  VAL  54          1HG2      VAL  54   7.711   1.010   1.353
  319   HG23  VAL  54          2HG2      VAL  54   8.656  -0.177   2.279
  320    H    LYS  55           H        LYS  55  11.069   3.282   4.438
  321    HA   LYS  55           HA       LYS  55  10.725   5.984   3.732
  322    HB2  LYS  55           2HB      LYS  55  11.290   5.205   5.990
  323    HG2  LYS  55           2HG      LYS  55  12.061   7.580   4.715
  324    HD2  LYS  55           2HD      LYS  55  14.286   6.654   6.571
  325    HE2  LYS  55           2HE      LYS  55  13.870   9.175   6.207
  326    HZ1  LYS  55           3HZ      LYS  55  14.654  10.043   4.037
  327    HZ2  LYS  55           1HZ      LYS  55  14.885   8.508   3.506
  328    HZ3  LYS  55           2HZ      LYS  55  13.386   9.075   3.853
  329    H    ALA  56           H        ALA  56  13.432   3.762   2.989
  330    HA   ALA  56           HA       ALA  56  15.152   5.678   1.784
  331    HB1  ALA  56           3HB      ALA  56  16.383   3.809   0.924
  332    HB2  ALA  56           1HB      ALA  56  15.867   3.432   2.577
  333    HB3  ALA  56           2HB      ALA  56  15.031   2.700   1.188
  334    H    VAL  57           H        VAL  57  12.577   3.610   0.369
  335    HA   VAL  57           HA       VAL  57  12.962   4.086  -2.339
  336    HB   VAL  57           HB       VAL  57  10.322   3.832  -0.845
  337   HG11  VAL  57          1HG1      VAL  57   9.828   4.902  -2.937
  338   HG12  VAL  57          2HG1      VAL  57  10.951   3.862  -3.806
  339   HG13  VAL  57          3HG1      VAL  57   9.448   3.188  -3.130
  340   HG21  VAL  57          3HG2      VAL  57  10.436   1.512  -1.878
  341   HG22  VAL  57          1HG2      VAL  57  12.137   1.842  -2.280
  342   HG23  VAL  57          2HG2      VAL  57  11.601   1.799  -0.608
  343    H    CYS  58           H        CYS  58  11.030   6.102  -0.094
  344    HA   CYS  58           HA       CYS  58  10.455   8.195  -1.965
  345    HB2  CYS  58           2HB      CYS  58   9.107   8.147  -0.147
  346    H    SER  59           H        SER  59  13.465   7.401  -0.448
  347    HA   SER  59           HA       SER  59  14.592  10.057  -1.206
  348    HB2  SER  59           2HB      SER  59  14.790   8.726   1.163
  349    HG   SER  59           HG       SER  59  16.934  10.124  -0.038
  350    H    GLN  60           H        GLN  60  13.834   7.695  -3.073
  351    HA   GLN  60           HA       GLN  60  16.583   7.101  -4.110
  352    HB2  GLN  60           2HB      GLN  60  14.546   5.347  -3.185
  353    HG2  GLN  60           2HG      GLN  60  16.133   3.595  -4.018
  354   HE21  GLN  60          2HE2      GLN  60  17.323   6.606  -2.240
  355   HE22  GLN  60          1HE2      GLN  60  17.672   5.661  -0.815
  356    H    LYS  61           H        LYS  61  13.765   6.280  -6.107
  357    HA   LYS  61           HA       LYS  61  14.762   8.350  -8.043
  358    HB2  LYS  61           2HB      LYS  61  13.482   5.674  -8.595
  359    HG2  LYS  61           2HG      LYS  61  15.734   5.582 -10.036
  360    HD2  LYS  61           2HD      LYS  61  17.115   4.775  -8.049
  361    HE2  LYS  61           2HE      LYS  61  15.935   3.146  -9.437
  362    HZ1  LYS  61           3HZ      LYS  61  13.795   2.273  -8.412
  363    HZ2  LYS  61           1HZ      LYS  61  13.608   3.692  -7.666
  364    HZ3  LYS  61           2HZ      LYS  61  13.662   3.653  -9.309
  365    H    LYS  62           H        LYS  62  13.379  10.028  -7.974
  366    HA   LYS  62           HA       LYS  62  10.563   9.939  -7.546
  367    HB2  LYS  62           2HB      LYS  62  12.365  11.893  -7.604
  368    HG2  LYS  62           2HG      LYS  62  10.130  12.283  -6.855
  369    HD2  LYS  62           2HD      LYS  62   8.720  11.492  -8.669
  370    HE2  LYS  62           2HE      LYS  62   9.709  13.943 -10.208
  371    HZ1  LYS  62           3HZ      LYS  62   8.114  13.093 -11.865
  372    HZ2  LYS  62           1HZ      LYS  62   7.553  12.015 -10.749
  373    HZ3  LYS  62           2HZ      LYS  62   7.365  13.629 -10.498
  374    H    VAL  63           H        VAL  63   9.008   9.148  -8.975
  375    HA   VAL  63           HA       VAL  63   9.615   9.023 -11.907
  376    HB   VAL  63           HB       VAL  63   8.240   7.025 -12.068
  377   HG11  VAL  63          1HG1      VAL  63  10.715   6.885 -11.841
  378   HG12  VAL  63          2HG1      VAL  63  10.512   6.584 -10.105
  379   HG13  VAL  63          3HG1      VAL  63   9.861   5.437 -11.296
  380   HG21  VAL  63          3HG2      VAL  63   7.563   5.701 -10.154
  381   HG22  VAL  63          1HG2      VAL  63   8.226   6.894  -9.020
  382   HG23  VAL  63          2HG2      VAL  63   6.824   7.295 -10.036
  383    H    THR  64           H        THR  64   7.486   8.824 -13.138
  384    HA   THR  64           HA       THR  64   5.678  10.974 -12.263
  385    HB   THR  64           HB       THR  64   5.673   9.206 -14.734
  386    HG1  THR  64           HG1      THR  64   6.821  10.967 -15.643
  387   HG21  THR  64          1HG2      THR  64   3.550  10.512 -14.334
  388   HG22  THR  64          2HG2      THR  64   4.518  12.001 -14.251
  389   HG23  THR  64          3HG2      THR  64   4.425  11.080 -15.761
  390    H    CYS  65           H        CYS  65   3.811  10.491 -11.136
  391    HA   CYS  65           HA       CYS  65   3.028   7.802 -10.432
  392    HB2  CYS  65           2HB      CYS  65   1.439  10.401 -10.436
  393    H    LYS  66           H        LYS  66   0.541   7.254 -10.959
  394    HA   LYS  66           HA       LYS  66   0.316   6.909 -13.815
  395    HB2  LYS  66           2HB      LYS  66  -1.689   5.701 -13.319
  396    HG2  LYS  66           2HG      LYS  66  -1.514   6.854 -10.481
  397    HD2  LYS  66           2HD      LYS  66  -3.771   5.545 -10.355
  398    HE2  LYS  66           2HE      LYS  66  -2.702   3.346  -9.816
  399    HZ1  LYS  66           3HZ      LYS  66  -1.334   4.160  -8.070
  400    HZ2  LYS  66           1HZ      LYS  66  -1.113   5.612  -8.757
  401    HZ3  LYS  66           2HZ      LYS  66  -2.599   5.185  -8.208
  402    H    ASP  67           H        ASP  67   0.426   9.708 -13.205
  403    HA   ASP  67           HA       ASP  67  -1.687  10.779 -14.714
  404    HB2  ASP  67           2HB      ASP  67  -2.889  12.110 -13.206
  405    H    GLY  68           H        GLY  68   0.548  11.537 -12.114
  406    HA2  GLY  68           2HA      GLY  68   2.820  12.322 -12.557
  407    H    GLN  69           H        GLN  69   0.177  13.132 -11.001
  408    HA   GLN  69           HA       GLN  69   0.730  15.994 -10.504
  409    HB2  GLN  69           2HB      GLN  69  -1.582  15.096 -10.634
  410    HG2  GLN  69           2HG      GLN  69  -2.433  16.142  -8.556
  411   HE21  GLN  69          2HE2      GLN  69  -2.276  17.099 -11.077
  412   HE22  GLN  69          1HE2      GLN  69  -1.566  18.706 -11.077
  413    H    THR  70           H        THR  70   0.416  13.095  -8.343
  414    HA   THR  70           HA       THR  70   1.802  14.448  -6.257
  415    HB   THR  70           HB       THR  70   1.678  11.828  -5.481
  416    HG1  THR  70           HG1      THR  70   0.598  11.075  -7.311
  417   HG21  THR  70          1HG2      THR  70   0.738  13.763  -4.270
  418   HG22  THR  70          2HG2      THR  70  -0.553  13.901  -5.489
  419   HG23  THR  70          3HG2      THR  70  -0.471  12.476  -4.436
  420    H    ASN  71           H        ASN  71   3.628  13.541  -5.051
  421    HA   ASN  71           HA       ASN  71   5.918  13.400  -6.874
  422    HB2  ASN  71           2HB      ASN  71   5.830  14.989  -5.018
  423   HD21  ASN  71          2HD2      ASN  71   7.528  14.063  -2.712
  424   HD22  ASN  71          1HD2      ASN  71   9.147  13.991  -3.412
  425    H    CYS  72           H        CYS  72   5.147  11.114  -7.574
  426    HA   CYS  72           HA       CYS  72   5.421   8.976  -5.632
  427    HB2  CYS  72           2HB      CYS  72   5.310   8.835  -8.667
  428    H    TYR  73           H        TYR  73   7.177   7.731  -5.101
  429    HA   TYR  73           HA       TYR  73   9.628   7.910  -6.784
  430    HB2  TYR  73           2HB      TYR  73   9.221   7.703  -3.811
  431    HD1  TYR  73           HD1      TYR  73   8.991  10.276  -4.540
  432    HD2  TYR  73           HD2      TYR  73  12.592   8.000  -4.844
  433    HE1  TYR  73           HE1      TYR  73  10.328  12.344  -4.230
  434    HE2  TYR  73           HE2      TYR  73  13.941  10.090  -4.772
  435    HH   TYR  73           HH       TYR  73  13.886  12.369  -4.472
  436    H    GLN  74           H        GLN  74  10.440   6.045  -7.543
  437    HA   GLN  74           HA       GLN  74   8.933   3.516  -7.067
  438    HB2  GLN  74           2HB      GLN  74   9.184   4.218  -9.414
  439    HG2  GLN  74           2HG      GLN  74  10.932   1.812  -8.746
  440   HE21  GLN  74          2HE2      GLN  74   8.783   0.659 -10.973
  441   HE22  GLN  74          1HE2      GLN  74   9.735   1.044 -12.381
  442    H    SER  75           H        SER  75   9.763   2.003  -5.863
  443    HA   SER  75           HA       SER  75  12.133   2.081  -4.443
  444    HB2  SER  75           2HB      SER  75  10.325   0.499  -3.993
  445    HG   SER  75           HG       SER  75  12.180  -1.411  -4.471
  446    H    LYS  76           H        LYS  76  14.017   0.919  -4.422
  447    HA   LYS  76           HA       LYS  76  15.706   0.907  -6.749
  448    HB2  LYS  76           2HB      LYS  76  17.299  -0.248  -5.312
  449    HG2  LYS  76           2HG      LYS  76  15.033  -0.293  -3.295
  450    HD2  LYS  76           2HD      LYS  76  18.000  -0.300  -2.623
  451    HE2  LYS  76           2HE      LYS  76  15.422  -0.400  -0.957
  452    HZ1  LYS  76           3HZ      LYS  76  16.751  -0.674   0.875
  453    HZ2  LYS  76           1HZ      LYS  76  18.174  -0.575   0.048
  454    HZ3  LYS  76           2HZ      LYS  76  17.183   0.750   0.189
  455    H    SER  77           H        SER  77  14.652  -1.886  -4.803
  456    HA   SER  77           HA       SER  77  14.888  -3.654  -7.175
  457    HB2  SER  77           2HB      SER  77  14.914  -5.394  -5.376
  458    HG   SER  77           HG       SER  77  13.763  -4.516  -3.724
  459    H    THR  78           H        THR  78  13.082  -5.548  -6.725
  460    HA   THR  78           HA       THR  78  10.470  -4.315  -6.500
  461    HB   THR  78           HB       THR  78   9.880  -6.828  -6.493
  462    HG1  THR  78           HG1      THR  78  11.528  -8.214  -6.719
  463   HG21  THR  78          1HG2      THR  78   9.968  -5.307  -8.560
  464   HG22  THR  78          2HG2      THR  78  11.622  -5.865  -8.820
  465   HG23  THR  78          3HG2      THR  78  10.276  -7.025  -8.886
  466    H    MET  79           H        MET  79   9.067  -4.859  -4.662
  467    HA   MET  79           HA       MET  79  10.343  -5.856  -2.192
  468    HB2  MET  79           2HB      MET  79   8.554  -3.393  -2.474
  469    HG2  MET  79           2HG      MET  79  10.929  -2.865  -3.011
  470    HE1  MET  79           3HE      MET  79  14.102  -2.567  -0.733
  471    HE2  MET  79           1HE      MET  79  13.428  -2.240  -2.350
  472    HE3  MET  79           2HE      MET  79  12.757  -1.411  -0.924
  473    H    ARG  80           H        ARG  80   8.669  -6.819  -0.834
  474    HA   ARG  80           HA       ARG  80   6.601  -8.142  -2.440
  475    HB2  ARG  80           2HB      ARG  80   7.737  -8.438   0.315
  476    HG2  ARG  80           2HG      ARG  80   7.830 -10.759  -0.284
  477    HD2  ARG  80           2HD      ARG  80   9.170 -10.807  -2.307
  478    HE   ARG  80           HE       ARG  80   9.806  -8.657  -0.320
  479   HH11  ARG  80          1HH2      ARG  80  10.957 -10.166  -3.299
  480   HH12  ARG  80          2HH2      ARG  80  12.633  -9.992  -2.895
  481   HH21  ARG  80          1HH1      ARG  80  11.942  -8.703   0.378
  482   HH22  ARG  80          2HH1      ARG  80  13.237  -9.065  -0.745
  483    H    ILE  81           H        ILE  81   4.410  -7.773  -2.391
  484    HA   ILE  81           HA       ILE  81   3.279  -6.049  -0.281
  485    HB   ILE  81           HB       ILE  81   1.714  -5.136  -2.065
  486   HG12  ILE  81          2HG1      ILE  81   2.615  -6.768  -3.798
  487   HG21  ILE  81          1HG2      ILE  81   3.120  -3.574  -1.075
  488   HG22  ILE  81          2HG2      ILE  81   4.565  -4.142  -1.949
  489   HG23  ILE  81          3HG2      ILE  81   3.240  -3.293  -2.788
  490   HD11  ILE  81          3HD1      ILE  81   4.208  -5.857  -5.414
  491   HD12  ILE  81          1HD1      ILE  81   4.454  -4.406  -4.434
  492   HD13  ILE  81          2HD1      ILE  81   5.013  -5.969  -3.847
  493    H    THR  82           H        THR  82   1.155  -6.438   0.188
  494    HA   THR  82           HA       THR  82  -0.068  -8.909  -0.949
  495    HB   THR  82           HB       THR  82  -1.188  -8.801   1.489
  496    HG1  THR  82           HG1      THR  82   0.133  -8.051   3.006
  497   HG21  THR  82          1HG2      THR  82   0.171 -10.684   0.457
  498   HG22  THR  82          2HG2      THR  82   1.623  -9.872   1.068
  499   HG23  THR  82          3HG2      THR  82   0.377 -10.472   2.200
  500    H    ASP  83           H        ASP  83  -1.335  -8.001  -2.510
  501    HA   ASP  83           HA       ASP  83  -2.473  -5.394  -2.062
  502    HB2  ASP  83           2HB      ASP  83  -1.718  -6.138  -4.308
  503    H    CYS  84           H        CYS  84  -4.226  -5.106  -0.701
  504    HA   CYS  84           HA       CYS  84  -5.843  -7.488  -0.129
  505    HB2  CYS  84           2HB      CYS  84  -4.758  -6.045   1.642
  506    H    ARG  85           H        ARG  85  -7.749  -7.838  -1.160
  507    HA   ARG  85           HA       ARG  85  -9.244  -5.447  -2.154
  508    HB2  ARG  85           2HB      ARG  85  -8.156  -7.129  -3.867
  509    HG2  ARG  85           2HG      ARG  85 -11.015  -6.137  -3.840
  510    HD2  ARG  85           2HD      ARG  85  -9.689  -7.805  -5.986
  511    HE   ARG  85           HE       ARG  85 -10.699  -6.397  -7.424
  512   HH11  ARG  85          1HH2      ARG  85 -12.931  -6.753  -4.652
  513   HH12  ARG  85          2HH2      ARG  85 -14.154  -5.756  -5.356
  514   HH21  ARG  85          1HH1      ARG  85 -12.347  -5.098  -8.345
  515   HH22  ARG  85          2HH1      ARG  85 -13.832  -4.824  -7.496
  516    H    GLU  86           H        GLU  86 -11.522  -5.497  -1.813
  517    HA   GLU  86           HA       GLU  86 -12.570  -7.556   0.048
  518    HB2  GLU  86           2HB      GLU  86 -14.057  -5.375  -1.468
  519    HG2  GLU  86           2HG      GLU  86 -13.311  -5.581   1.502
  520    H    THR  87           H        THR  87 -13.850  -9.284  -0.649
  521    HA   THR  87           HA       THR  87 -13.600  -9.926  -3.534
  522    HB   THR  87           HB       THR  87 -14.233 -12.261  -2.638
  523    HG1  THR  87           HG1      THR  87 -13.484 -10.983  -0.184
  524   HG21  THR  87          1HG2      THR  87 -11.989 -11.583  -3.408
  525   HG22  THR  87          2HG2      THR  87 -11.657 -10.882  -1.807
  526   HG23  THR  87          3HG2      THR  87 -11.901 -12.644  -1.991
  527    H    GLY  88           H        GLY  88 -15.326 -11.180  -4.591
  528    HA2  GLY  88           2HA      GLY  88 -17.853  -9.777  -4.539
  529    H    SER  89           H        SER  89 -18.170 -10.109  -2.295
  530    HA   SER  89           HA       SER  89 -19.782 -12.312  -1.292
  531    HB2  SER  89           2HB      SER  89 -17.864 -13.057   0.274
  532    HG   SER  89           HG       SER  89 -15.741 -12.477  -0.560
  533    H    SER  90           H        SER  90 -17.413  -9.703  -0.745
  534    HA   SER  90           HA       SER  90 -17.738  -9.032   1.837
  535    HB2  SER  90           2HB      SER  90 -16.340  -8.025  -0.163
  536    HG   SER  90           HG       SER  90 -16.282  -5.984   1.178
  537    H    LYS  91           H        LYS  91 -19.331  -8.325   3.158
  538    HA   LYS  91           HA       LYS  91 -21.745  -6.931   2.079
  539    HB2  LYS  91           2HB      LYS  91 -21.461  -9.434   3.770
  540    HG2  LYS  91           2HG      LYS  91 -21.846  -9.567   1.259
  541    HD2  LYS  91           2HD      LYS  91 -23.441  -7.811   0.838
  542    HE2  LYS  91           2HE      LYS  91 -24.763  -7.643   2.866
  543    HZ1  LYS  91           3HZ      LYS  91 -26.298  -9.385   3.460
  544    HZ2  LYS  91           1HZ      LYS  91 -25.732 -10.365   2.266
  545    HZ3  LYS  91           2HZ      LYS  91 -24.754  -9.947   3.524
  546    H    TYR  92           H        TYR  92 -20.203  -5.165   2.888
  547    HA   TYR  92           HA       TYR  92 -19.398  -4.691   5.455
  548    HB2  TYR  92           2HB      TYR  92 -18.960  -3.131   3.680
  549    HD1  TYR  92           HD1      TYR  92 -17.794  -2.387   5.797
  550    HD2  TYR  92           HD2      TYR  92 -21.826  -1.193   4.911
  551    HE1  TYR  92           HE1      TYR  92 -17.672  -0.654   7.589
  552    HE2  TYR  92           HE2      TYR  92 -21.740   0.469   6.734
  553    HH   TYR  92           HH       TYR  92 -20.510   1.317   8.476
  554    HA   PRO  93           HA       PRO  93 -19.474  -3.528   7.565
  555    HB2  PRO  93           2HB      PRO  93 -19.910  -4.556  10.019
  556    HG2  PRO  93           2HG      PRO  93 -21.998  -5.614   9.527
  557    HD2  PRO  93           2HD      PRO  93 -23.312  -4.900   7.694
  558    H    ASN  94           H        ASN  94 -20.906  -6.672   7.001
  559    HA   ASN  94           HA       ASN  94 -18.536  -8.195   7.933
  560    HB2  ASN  94           2HB      ASN  94 -21.236  -8.882   6.718
  561   HD21  ASN  94          2HD2      ASN  94 -20.762  -7.771   9.323
  562   HD22  ASN  94          1HD2      ASN  94 -21.032  -9.063  10.485
  563    H    CYS  95           H        CYS  95 -17.384  -6.419   6.483
  564    HA   CYS  95           HA       CYS  95 -17.439  -7.118   3.652
  565    HB2  CYS  95           2HB      CYS  95 -15.635  -5.607   3.284
  566    H    ALA  96           H        ALA  96 -15.737  -8.172   2.509
  567    HA   ALA  96           HA       ALA  96 -14.325 -10.238   4.192
  568    HB1  ALA  96           3HB      ALA  96 -14.962 -11.863   2.490
  569    HB2  ALA  96           1HB      ALA  96 -16.394 -11.091   3.199
  570    HB3  ALA  96           2HB      ALA  96 -15.835 -10.613   1.582
  571    H    TYR  97           H        TYR  97 -12.222  -9.471   4.072
  572    HA   TYR  97           HA       TYR  97 -11.165  -8.568   1.497
  573    HB2  TYR  97           2HB      TYR  97  -9.975  -8.724   4.275
  574    HD1  TYR  97           HD1      TYR  97  -9.833  -6.255   1.498
  575    HD2  TYR  97           HD2      TYR  97 -11.222  -7.056   5.500
  576    HE1  TYR  97           HE1      TYR  97  -9.843  -3.845   1.989
  577    HE2  TYR  97           HE2      TYR  97 -11.445  -4.629   5.903
  578    HH   TYR  97           HH       TYR  97 -10.845  -2.518   5.072
  579    H    LYS  98           H        LYS  98  -9.548  -9.539   0.306
  580    HA   LYS  98           HA       LYS  98  -8.310 -12.081   1.201
  581    HB2  LYS  98           2HB      LYS  98 -10.468 -12.410  -0.140
  582    HG2  LYS  98           2HG      LYS  98  -8.837 -14.235   0.096
  583    HD2  LYS  98           2HD      LYS  98  -6.870 -13.517  -1.168
  584    HE2  LYS  98           2HE      LYS  98  -7.425 -14.055  -3.839
  585    HZ1  LYS  98           3HZ      LYS  98  -6.886 -11.786  -4.271
  586    HZ2  LYS  98           1HZ      LYS  98  -7.356 -11.315  -2.762
  587    HZ3  LYS  98           2HZ      LYS  98  -6.054 -12.279  -2.977
  588    H    THR  99           H        THR  99  -6.149 -11.553   1.124
  589    HA   THR  99           HA       THR  99  -5.282  -9.457  -0.608
  590    HB   THR  99           HB       THR  99  -4.255 -10.606   1.740
  591    HG1  THR  99           HG1      THR  99  -4.119  -8.455   1.349
  592   HG21  THR  99          1HG2      THR  99  -2.835 -12.134   0.172
  593   HG22  THR  99          2HG2      THR  99  -2.049 -10.637  -0.343
  594   HG23  THR  99          3HG2      THR  99  -1.994 -11.132   1.361
  595    H    THR 100           H        THR 100  -3.684  -9.467  -2.274
  596    HA   THR 100           HA       THR 100  -3.239 -12.110  -3.626
  597    HB   THR 100           HB       THR 100  -3.578  -9.376  -4.907
  598    HG1  THR 100           HG1      THR 100  -5.582  -9.982  -5.384
  599   HG21  THR 100          1HG2      THR 100  -2.159 -10.948  -6.208
  600   HG22  THR 100          2HG2      THR 100  -3.429 -12.186  -6.104
  601   HG23  THR 100          3HG2      THR 100  -3.717 -10.684  -7.006
  602    H    GLN 101           H        GLN 101  -1.158 -12.636  -3.181
  603    HA   GLN 101           HA       GLN 101   0.765 -10.667  -2.310
  604    HB2  GLN 101           2HB      GLN 101   0.396 -13.198  -1.652
  605    HG2  GLN 101           2HG      GLN 101   2.098 -11.844  -0.561
  606   HE21  GLN 101          2HE2      GLN 101   3.132 -10.071  -1.672
  607   HE22  GLN 101          1HE2      GLN 101   4.534 -10.314  -2.665
  608    H    VAL 102           H        VAL 102   2.184  -9.537  -3.638
  609    HA   VAL 102           HA       VAL 102   3.177 -10.763  -6.106
  610    HB   VAL 102           HB       VAL 102   2.899  -8.500  -7.325
  611   HG11  VAL 102          1HG1      VAL 102   1.678 -10.552  -7.950
  612   HG12  VAL 102          2HG1      VAL 102   0.334 -10.022  -6.895
  613   HG13  VAL 102          3HG1      VAL 102   0.816  -9.044  -8.299
  614   HG21  VAL 102          3HG2      VAL 102   0.666  -7.355  -6.732
  615   HG22  VAL 102          1HG2      VAL 102   0.919  -7.970  -5.100
  616   HG23  VAL 102          2HG2      VAL 102   2.133  -6.917  -5.886
  617    H    GLU 103           H        GLU 103   5.185  -9.549  -6.863
  618    HA   GLU 103           HA       GLU 103   6.138  -7.637  -4.875
  619    HB2  GLU 103           2HB      GLU 103   8.310  -8.330  -4.816
  620    HG2  GLU 103           2HG      GLU 103   7.865 -10.949  -6.175
  621    H    LYS 104           H        LYS 104   7.116  -5.879  -5.736
  622    HA   LYS 104           HA       LYS 104   7.732  -5.581  -8.554
  623    HB2  LYS 104           2HB      LYS 104   5.068  -4.674  -7.437
  624    HG2  LYS 104           2HG      LYS 104   4.846  -4.969 -10.179
  625    HD2  LYS 104           2HD      LYS 104   3.964  -7.374  -9.610
  626    HE2  LYS 104           2HE      LYS 104   1.899  -6.507  -8.661
  627    HZ1  LYS 104           3HZ      LYS 104   1.337  -4.893 -10.180
  628    HZ2  LYS 104           1HZ      LYS 104   2.810  -4.187 -10.136
  629    HZ3  LYS 104           2HZ      LYS 104   2.605  -5.616 -10.962
  630    H    HIS 105           H        HIS 105   8.159  -3.059  -8.886
  631    HA   HIS 105           HA       HIS 105   9.570  -2.102  -6.495
  632    HB2  HIS 105           2HB      HIS 105   8.868  -0.317  -8.842
  633    HD1  HIS 105           HD1      HIS 105   9.332  -2.236 -10.753
  634    HD2  HIS 105           HD2      HIS 105  12.489  -1.228  -8.150
  635    HE1  HIS 105           HE1      HIS 105  11.520  -3.058 -11.886
  636    HE2  HIS 105           HE2      HIS 105  13.429  -2.427 -10.260
  637    H    ILE 106           H        ILE 106   8.199  -1.583  -4.814
  638    HA   ILE 106           HA       ILE 106   5.575  -0.539  -5.119
  639    HB   ILE 106           HB       ILE 106   5.835   0.298  -2.802
  640   HG12  ILE 106          2HG1      ILE 106   8.660  -0.868  -2.987
  641   HG21  ILE 106          1HG2      ILE 106   5.010  -1.922  -3.364
  642   HG22  ILE 106          2HG2      ILE 106   6.647  -2.589  -3.363
  643   HG23  ILE 106          3HG2      ILE 106   5.920  -1.990  -1.857
  644   HD11  ILE 106          3HD1      ILE 106   8.819   0.058  -0.651
  645   HD12  ILE 106          1HD1      ILE 106   7.047   0.232  -0.667
  646   HD13  ILE 106          2HD1      ILE 106   7.802  -1.378  -0.795
  647    H    ILE 107           H        ILE 107   4.803   1.425  -5.469
  648    HA   ILE 107           HA       ILE 107   6.644   3.641  -6.099
  649    HB   ILE 107           HB       ILE 107   3.796   3.256  -7.088
  650   HG12  ILE 107          2HG1      ILE 107   5.130   1.404  -8.001
  651   HG21  ILE 107          1HG2      ILE 107   4.563   5.530  -7.052
  652   HG22  ILE 107          2HG2      ILE 107   6.031   5.118  -7.948
  653   HG23  ILE 107          3HG2      ILE 107   4.435   4.972  -8.728
  654   HD11  ILE 107          3HD1      ILE 107   6.853   1.772  -9.620
  655   HD12  ILE 107          1HD1      ILE 107   6.853   3.515  -9.308
  656   HD13  ILE 107          2HD1      ILE 107   7.323   2.371  -8.017
  657    H    VAL 108           H        VAL 108   6.634   4.963  -4.255
  658    HA   VAL 108           HA       VAL 108   4.023   5.262  -2.809
  659    HB   VAL 108           HB       VAL 108   5.122   5.567  -0.727
  660   HG11  VAL 108          1HG1      VAL 108   4.435   3.295  -1.397
  661   HG12  VAL 108          2HG1      VAL 108   6.067   2.981  -2.027
  662   HG13  VAL 108          3HG1      VAL 108   5.821   3.280  -0.295
  663   HG21  VAL 108          3HG2      VAL 108   7.512   5.084  -0.382
  664   HG22  VAL 108          1HG2      VAL 108   7.735   4.982  -2.141
  665   HG23  VAL 108          2HG2      VAL 108   7.266   6.521  -1.386
  666    H    ALA 109           H        ALA 109   3.453   7.235  -2.058
  667    HA   ALA 109           HA       ALA 109   4.395   9.472  -3.654
  668    HB1  ALA 109           3HB      ALA 109   2.503  10.648  -2.668
  669    HB2  ALA 109           1HB      ALA 109   1.956   9.012  -3.125
  670    HB3  ALA 109           2HB      ALA 109   2.348   9.396  -1.430
  671    H    CYS 110           H        CYS 110   5.951  10.852  -2.906
  672    HA   CYS 110           HA       CYS 110   7.021  10.473  -0.161
  673    HB2  CYS 110           2HB      CYS 110   8.353   9.803  -2.119
  674    H    GLY 111           H        GLY 111   7.628  12.227   1.149
  675    HA2  GLY 111           2HA      GLY 111   7.734  14.932   0.327
  676    H    GLY 112           H        GLY 112   6.267  15.901   2.687
  677    HA2  GLY 112           2HA      GLY 112   6.532  16.375   4.889
  678    H    LYS 113           H        LYS 113   8.877  16.969   3.515
  679    HA   LYS 113           HA       LYS 113  11.254  16.297   3.761
  680    HB2  LYS 113           2HB      LYS 113  12.071  18.516   4.321
  681    HG2  LYS 113           2HG      LYS 113   9.102  19.184   4.725
  682    HD2  LYS 113           2HD      LYS 113  11.594  20.962   4.719
  683    HE2  LYS 113           2HE      LYS 113   9.966  22.833   4.926
  684    HZ1  LYS 113           3HZ      LYS 113   9.374  22.534   7.204
  685    HZ2  LYS 113           1HZ      LYS 113   9.625  20.913   7.137
  686    HZ3  LYS 113           2HZ      LYS 113  10.893  21.951   6.971
  687    HA   PRO 114           HA       PRO 114  13.417  15.708   4.327
  688    HB2  PRO 114           2HB      PRO 114  14.645  13.445   5.281
  689    HG2  PRO 114           2HG      PRO 114  13.029  13.057   7.047
  690    HD2  PRO 114           2HD      PRO 114  11.840  14.854   8.004
  691    H    SER 115           H        SER 115  13.901  13.241   3.329
  692    HA   SER 115           HA       SER 115  11.613  12.587   1.823
  693    HB2  SER 115           2HB      SER 115  13.054  10.607   1.179
  694    HG   SER 115           HG       SER 115  15.291  10.961   1.890
  695    H    VAL 116           H        VAL 116   9.865  12.307   3.438
  696    HA   VAL 116           HA       VAL 116   9.865   9.460   4.343
  697    HB   VAL 116           HB       VAL 116   8.400   9.977   6.099
  698   HG11  VAL 116          1HG1      VAL 116  10.891  10.251   6.364
  699   HG12  VAL 116          2HG1      VAL 116  10.698  11.991   6.091
  700   HG13  VAL 116          3HG1      VAL 116   9.941  11.235   7.498
  701   HG21  VAL 116          3HG2      VAL 116   7.803  12.312   6.698
  702   HG22  VAL 116          1HG2      VAL 116   8.520  12.862   5.173
  703   HG23  VAL 116          2HG2      VAL 116   7.078  11.832   5.154
  704    HA   PRO 117           HA       PRO 117   6.593   9.151   1.348
  705    HB2  PRO 117           2HB      PRO 117   5.810   6.602   1.671
  706    HG2  PRO 117           2HG      PRO 117   6.899   6.190   3.809
  707    HD2  PRO 117           2HD      PRO 117   8.399   7.647   4.649
  708    H    VAL 118           H        VAL 118   4.442   9.590   1.369
  709    HA   VAL 118           HA       VAL 118   2.996   9.552   3.999
  710    HB   VAL 118           HB       VAL 118   2.070  11.727   3.484
  711   HG11  VAL 118          1HG1      VAL 118   4.145  11.544   4.833
  712   HG12  VAL 118          2HG1      VAL 118   5.111  11.803   3.364
  713   HG13  VAL 118          3HG1      VAL 118   4.028  13.076   3.949
  714   HG21  VAL 118          3HG2      VAL 118   2.975  13.131   1.673
  715   HG22  VAL 118          1HG2      VAL 118   3.991  11.799   1.097
  716   HG23  VAL 118          2HG2      VAL 118   2.220  11.684   0.989
  717    H    HIS 119           H        HIS 119   2.863   8.548   0.707
  718    HA   HIS 119           HA       HIS 119   0.265   7.453   1.302
  719    HB2  HIS 119           2HB      HIS 119  -0.146   9.754   0.116
  720    HD1  HIS 119           HD1      HIS 119  -1.534   7.141  -2.292
  721    HD2  HIS 119           HD2      HIS 119  -2.349   8.854   1.501
  722    HE1  HIS 119           HE1      HIS 119  -3.985   6.623  -1.764
  723    HE2  HIS 119           HE2      HIS 119  -4.478   7.655   0.540
  724    H    PHE 120           H        PHE 120  -0.332   5.889  -0.520
  725    HA   PHE 120           HA       PHE 120   2.085   4.651  -1.779
  726    HB2  PHE 120           2HB      PHE 120   0.950   3.140  -0.272
  727    HD1  PHE 120           HD1      PHE 120   2.561   1.805  -1.721
  728    HD2  PHE 120           HD2      PHE 120  -1.512   2.595  -2.930
  729    HE1  PHE 120           HE1      PHE 120   2.693  -0.010  -3.402
  730    HE2  PHE 120           HE2      PHE 120  -1.368   0.766  -4.587
  731    HZ   PHE 120           HZ       PHE 120   0.717  -0.556  -4.800
  732    H    ASP 121           H        ASP 121   2.026   4.440  -4.107
  733    HA   ASP 121           HA       ASP 121  -0.410   5.537  -5.453
  734    HB2  ASP 121           2HB      ASP 121   1.593   6.778  -5.963
  735    H    ALA 122           H        ALA 122   2.108   2.940  -5.855
  736    HA   ALA 122           HA       ALA 122   0.203   0.993  -6.833
  737    HB1  ALA 122           3HB      ALA 122   0.985   0.995  -9.196
  738    HB2  ALA 122           1HB      ALA 122   0.200   2.522  -8.798
  739    HB3  ALA 122           2HB      ALA 122   1.969   2.436  -8.867
  740    H    SER 123           H        SER 123   1.752  -0.745  -8.156
  741    HA   SER 123           HA       SER 123   4.484  -0.685  -7.071
  742    HB2  SER 123           2HB      SER 123   2.827  -3.189  -6.768
  743    HG   SER 123           HG       SER 123   2.693  -2.676  -4.596
  744    H    VAL 124           H        VAL 124   5.640  -0.707  -8.913
  745    HA   VAL 124           HA       VAL 124   5.400  -2.929 -10.758
  746    HB   VAL 124           HB       VAL 124   4.693  -0.159 -11.665
  747   HG11  VAL 124          1HG1      VAL 124   6.568  -0.707 -13.081
  748   HG12  VAL 124          2HG1      VAL 124   5.995  -2.376 -13.292
  749   HG13  VAL 124          3HG1      VAL 124   5.100  -1.007 -14.004
  750   HG21  VAL 124          3HG2      VAL 124   3.031  -1.586 -13.008
  751   HG22  VAL 124          1HG2      VAL 124   3.594  -2.988 -12.088
  752   HG23  VAL 124          2HG2      VAL 124   2.797  -1.630 -11.270
  Start of MODEL    7
    1    HA   LYS   1           HA       LYS   1   5.678  12.310  15.290
    2    HB2  LYS   1           2HB      LYS   1   4.999  13.185  17.470
    3    HG2  LYS   1           2HG      LYS   1   3.915  10.363  17.120
    4    HD2  LYS   1           2HD      LYS   1   3.769  11.451  19.414
    5    HE2  LYS   1           2HE      LYS   1   6.820  11.113  19.237
    6    HZ1  LYS   1           2HZ      LYS   1   5.972  10.433  21.378
    7    HZ2  LYS   1           3HZ      LYS   1   6.819  11.831  21.502
    8    HZ3  LYS   1           1HZ      LYS   1   5.180  11.864  21.566
    9    H    GLU   2           H        GLU   2   2.002  12.227  15.436
   10    HA   GLU   2           HA       GLU   2   2.028  10.172  13.323
   11    HB2  GLU   2           2HB      GLU   2   0.288  10.296  15.161
   12    HG2  GLU   2           2HG      GLU   2  -0.799  10.392  12.281
   13    H    SER   3           H        SER   3   3.532  11.721  12.159
   14    HA   SER   3           HA       SER   3   2.466  14.272  11.227
   15    HB2  SER   3           2HB      SER   3   5.028  12.861  10.487
   16    HG   SER   3           HG       SER   3   5.925  14.109  12.168
   17    H    ALA   4           H        ALA   4   0.723  12.482  10.380
   18    HA   ALA   4           HA       ALA   4  -0.363  11.421   8.723
   19    HB1  ALA   4           3HB      ALA   4  -0.135  12.102   6.458
   20    HB2  ALA   4           1HB      ALA   4  -0.088  13.520   7.533
   21    HB3  ALA   4           2HB      ALA   4   1.415  12.915   6.788
   22    H    ALA   5           H        ALA   5   3.033  11.452   7.608
   23    HA   ALA   5           HA       ALA   5   3.308   9.154   6.250
   24    HB1  ALA   5           3HB      ALA   5   5.644   9.078   7.005
   25    HB2  ALA   5           1HB      ALA   5   5.123  10.740   6.676
   26    HB3  ALA   5           2HB      ALA   5   5.266  10.181   8.349
   27    H    ALA   6           H        ALA   6   3.976   9.156   9.774
   28    HA   ALA   6           HA       ALA   6   4.283   6.428  10.081
   29    HB1  ALA   6           3HB      ALA   6   3.769   6.798  12.467
   30    HB2  ALA   6           1HB      ALA   6   4.807   8.087  11.824
   31    HB3  ALA   6           2HB      ALA   6   3.074   8.386  12.081
   32    H    LYS   7           H        LYS   7   1.179   8.260  10.253
   33    HA   LYS   7           HA       LYS   7  -0.306   5.905  11.042
   34    HB2  LYS   7           2HB      LYS   7  -1.255   7.841  11.744
   35    HG2  LYS   7           2HG      LYS   7  -2.870   6.421  10.038
   36    HD2  LYS   7           2HD      LYS   7  -2.410   8.629   8.481
   37    HE2  LYS   7           2HE      LYS   7  -4.200  10.253   8.748
   38    HZ1  LYS   7           3HZ      LYS   7  -3.726  11.221  10.893
   39    HZ2  LYS   7           1HZ      LYS   7  -3.083   9.847  11.453
   40    HZ3  LYS   7           2HZ      LYS   7  -2.309  10.664  10.262
   41    H    PHE   8           H        PHE   8   0.086   7.690   7.966
   42    HA   PHE   8           HA       PHE   8  -1.447   6.110   6.192
   43    HB2  PHE   8           2HB      PHE   8  -0.545   7.898   5.074
   44    HD1  PHE   8           HD1      PHE   8  -0.801   5.748   3.376
   45    HD2  PHE   8           HD2      PHE   8   2.914   7.197   5.022
   46    HE1  PHE   8           HE1      PHE   8   0.429   4.634   1.545
   47    HE2  PHE   8           HE2      PHE   8   4.161   5.966   3.326
   48    HZ   PHE   8           HZ       PHE   8   3.023   4.759   1.560
   49    H    GLU   9           H        GLU   9   2.024   5.710   7.015
   50    HA   GLU   9           HA       GLU   9   2.496   3.239   5.859
   51    HB2  GLU   9           2HB      GLU   9   3.627   4.630   8.324
   52    HG2  GLU   9           2HG      GLU   9   4.708   3.679   5.661
   53    H    ARG  10           H        ARG  10   1.377   3.799   9.281
   54    HA   ARG  10           HA       ARG  10   1.340   1.029   9.634
   55    HB2  ARG  10           2HB      ARG  10  -0.177   3.197  11.147
   56    HG2  ARG  10           2HG      ARG  10   2.308   3.262  11.406
   57    HD2  ARG  10           2HD      ARG  10   1.982   0.427  12.443
   58    HE   ARG  10           HE       ARG  10   3.756   2.453  13.283
   59   HH11  ARG  10          1HH2      ARG  10   3.960  -0.801  11.933
   60   HH12  ARG  10          2HH2      ARG  10   5.441  -1.240  12.715
   61   HH21  ARG  10          1HH1      ARG  10   5.744   1.891  14.404
   62   HH22  ARG  10          2HH1      ARG  10   6.479   0.342  14.159
   63    H    GLN  11           H        GLN  11  -0.926   2.789   7.733
   64    HA   GLN  11           HA       GLN  11  -2.994   0.655   8.037
   65    HB2  GLN  11           2HB      GLN  11  -3.130   2.957   6.103
   66    HG2  GLN  11           2HG      GLN  11  -3.084   4.320   7.957
   67   HE21  GLN  11          2HE2      GLN  11  -2.085   3.878   9.907
   68   HE22  GLN  11          1HE2      GLN  11  -2.891   3.058  11.254
   69    H    HIS  12           H        HIS  12  -0.126   1.114   6.291
   70    HA   HIS  12           HA       HIS  12  -1.054  -0.475   3.926
   71    HB2  HIS  12           2HB      HIS  12  -1.291   1.871   3.369
   72    HD1  HIS  12           HD1      HIS  12   2.432   1.413   2.491
   73    HD2  HIS  12           HD2      HIS  12  -1.440   0.914   0.869
   74    HE1  HIS  12           HE1      HIS  12   2.730   1.014  -0.043
   75    HE2  HIS  12           HE2      HIS  12   0.386   0.706  -1.011
   76    H    MET  13           H        MET  13   1.819   1.019   5.480
   77    HA   MET  13           HA       MET  13   3.597  -0.993   4.295
   78    HB2  MET  13           2HB      MET  13   4.038   1.589   4.552
   79    HG2  MET  13           2HG      MET  13   5.612   0.057   3.640
   80    HE1  MET  13           3HE      MET  13   8.469  -2.187   4.800
   81    HE2  MET  13           1HE      MET  13   7.447  -1.754   3.423
   82    HE3  MET  13           2HE      MET  13   8.441  -0.523   4.232
   83    H    ASP  14           H        ASP  14   3.309  -2.940   5.302
   84    HA   ASP  14           HA       ASP  14   3.039  -3.039   8.267
   85    HB2  ASP  14           2HB      ASP  14   0.936  -3.433   7.170
   86    H    SER  15           H        SER  15   5.391  -3.131   8.170
   87    HA   SER  15           HA       SER  15   6.780  -5.025   6.575
   88    HB2  SER  15           2HB      SER  15   8.707  -4.243   8.073
   89    HG   SER  15           HG       SER  15   7.391  -3.933   9.914
   90    H    GLY  16           H        GLY  16   5.474  -6.920   7.212
   91    HA2  GLY  16           2HA      GLY  16   7.031  -8.479   9.237
   92    H    ASN  17           H        ASN  17   6.911 -10.873   8.589
   93    HA   ASN  17           HA       ASN  17   7.535 -11.183   5.801
   94    HB2  ASN  17           2HB      ASN  17   8.414 -12.635   7.673
   95   HD21  ASN  17          2HD2      ASN  17   7.844 -15.453   7.323
   96   HD22  ASN  17          1HD2      ASN  17   8.212 -15.820   5.651
   97    H    SER  18           H        SER  18   6.295 -12.884   4.420
   98    HA   SER  18           HA       SER  18   3.333 -12.893   4.926
   99    HB2  SER  18           2HB      SER  18   4.688 -12.351   2.262
  100    HG   SER  18           HG       SER  18   3.451 -10.383   2.509
  101    HA   PRO  19           HA       PRO  19   5.354 -16.955   4.244
  102    HB2  PRO  19           2HB      PRO  19   3.959 -18.468   6.099
  103    HG2  PRO  19           2HG      PRO  19   2.617 -16.767   7.014
  104    HD2  PRO  19           2HD      PRO  19   2.957 -14.520   6.437
  105    H    SER  20           H        SER  20   1.787 -16.993   4.921
  106    HA   SER  20           HA       SER  20   1.091 -17.921   2.308
  107    HB2  SER  20           2HB      SER  20   0.627 -20.356   3.067
  108    HG   SER  20           HG       SER  20   2.205 -21.082   4.594
  109    H    SER  21           H        SER  21  -0.470 -16.203   3.141
  110    HA   SER  21           HA       SER  21  -2.868 -17.584   3.275
  111    HB2  SER  21           2HB      SER  21  -2.404 -17.616   5.798
  112    HG   SER  21           HG       SER  21  -4.477 -17.784   4.942
  113    H    SER  22           H        SER  22  -4.574 -15.459   3.974
  114    HA   SER  22           HA       SER  22  -3.684 -13.113   2.454
  115    HB2  SER  22           2HB      SER  22  -5.335 -13.545   0.590
  116    HG   SER  22           HG       SER  22  -5.951 -15.874   0.508
  117    H    SER  23           H        SER  23  -6.925 -14.472   2.671
  118    HA   SER  23           HA       SER  23  -8.332 -12.147   3.340
  119    HB2  SER  23           2HB      SER  23  -9.988 -13.858   4.324
  120    HG   SER  23           HG       SER  23  -9.346 -16.038   3.839
  121    H    ASN  24           H        ASN  24  -6.930 -14.599   5.490
  122    HA   ASN  24           HA       ASN  24  -7.606 -13.467   7.957
  123    HB2  ASN  24           2HB      ASN  24  -5.060 -14.956   7.241
  124   HD21  ASN  24          2HD2      ASN  24  -5.658 -16.952   6.468
  125   HD22  ASN  24          1HD2      ASN  24  -7.033 -17.877   7.071
  126    H    TYR  25           H        TYR  25  -4.468 -12.926   6.267
  127    HA   TYR  25           HA       TYR  25  -3.481 -10.991   8.062
  128    HB2  TYR  25           2HB      TYR  25  -3.115 -10.974   5.035
  129    HD1  TYR  25           HD2      TYR  25  -2.137 -12.881   8.100
  130    HD2  TYR  25           HD1      TYR  25  -1.247 -12.054   3.959
  131    HE1  TYR  25           HE2      TYR  25  -0.666 -14.850   8.020
  132    HE2  TYR  25           HE1      TYR  25   0.273 -13.991   3.897
  133    HH   TYR  25           HH       TYR  25   0.559 -16.230   6.685
  134    H    CYS  26           H        CYS  26  -5.545 -10.682   5.228
  135    HA   CYS  26           HA       CYS  26  -5.652  -7.880   4.888
  136    HB2  CYS  26           2HB      CYS  26  -7.279 -10.213   4.117
  137    H    ASN  27           H        ASN  27  -8.012  -9.969   6.577
  138    HA   ASN  27           HA       ASN  27  -9.556  -7.822   7.662
  139    HB2  ASN  27           2HB      ASN  27  -9.311 -10.757   8.427
  140   HD21  ASN  27          2HD2      ASN  27  -9.852 -11.229   6.137
  141   HD22  ASN  27          1HD2      ASN  27 -11.481 -10.896   5.555
  142    H    LEU  28           H        LEU  28  -7.047  -9.940   9.068
  143    HA   LEU  28           HA       LEU  28  -7.104  -9.129  11.691
  144    HB2  LEU  28           2HB      LEU  28  -5.807 -11.033  10.652
  145    HG   LEU  28           HG       LEU  28  -3.942 -11.157  12.070
  146   HD11  LEU  28          1HD1      LEU  28  -3.098  -8.795  11.786
  147   HD12  LEU  28          2HD1      LEU  28  -4.283  -8.300  13.020
  148   HD13  LEU  28          3HD1      LEU  28  -3.020  -9.460  13.428
  149   HD21  LEU  28          3HD2      LEU  28  -4.975 -10.966  14.239
  150   HD22  LEU  28          1HD2      LEU  28  -6.166  -9.800  13.644
  151   HD23  LEU  28          2HD2      LEU  28  -6.198 -11.481  13.063
  152    H    MET  29           H        MET  29  -4.918  -7.834   9.109
  153    HA   MET  29           HA       MET  29  -3.745  -5.877  10.783
  154    HB2  MET  29           2HB      MET  29  -2.967  -6.683   8.463
  155    HG2  MET  29           2HG      MET  29  -2.899  -3.800   9.402
  156    HE1  MET  29           3HE      MET  29  -2.791  -2.567   5.772
  157    HE2  MET  29           1HE      MET  29  -3.981  -3.518   6.687
  158    HE3  MET  29           2HE      MET  29  -3.200  -2.111   7.447
  159    H    MET  30           H        MET  30  -6.523  -5.586   8.455
  160    HA   MET  30           HA       MET  30  -6.802  -2.820   8.835
  161    HB2  MET  30           2HB      MET  30  -8.857  -4.892   8.030
  162    HG2  MET  30           2HG      MET  30  -6.720  -4.202   6.581
  163    HE1  MET  30           3HE      MET  30  -6.290  -0.335   6.171
  164    HE2  MET  30           1HE      MET  30  -6.962  -1.026   7.655
  165    HE3  MET  30           2HE      MET  30  -5.611  -1.835   6.823
  166    H    CYS  31           H        CYS  31  -8.365  -5.513  10.544
  167    HA   CYS  31           HA       CYS  31  -9.961  -4.034  12.404
  168    HB2  CYS  31           2HB      CYS  31 -10.241  -6.454  12.013
  169    HG   CYS  31           HG       CYS  31 -10.354  -7.420  14.459
  170    H    CYS  32           H        CYS  32  -6.706  -5.466  12.799
  171    HA   CYS  32           HA       CYS  32  -6.090  -4.596  15.375
  172    HB2  CYS  32           2HB      CYS  32  -4.644  -6.148  14.218
  173    HG   CYS  32           HG       CYS  32  -2.191  -5.169  14.277
  174    H    ARG  33           H        ARG  33  -5.808  -2.820  12.291
  175    HA   ARG  33           HA       ARG  33  -4.635  -0.485  13.655
  176    HB2  ARG  33           2HB      ARG  33  -5.373  -0.897  10.759
  177    HG2  ARG  33           2HG      ARG  33  -3.517  -2.445  11.472
  178    HD2  ARG  33           2HD      ARG  33  -1.293  -1.354  11.930
  179    HE   ARG  33           HE       ARG  33  -2.932  -2.385  13.758
  180   HH11  ARG  33          1HH2      ARG  33  -0.771   0.346  13.982
  181   HH12  ARG  33          2HH2      ARG  33  -1.069   0.670  15.668
  182   HH21  ARG  33          1HH1      ARG  33  -3.664  -1.753  15.867
  183   HH22  ARG  33          2HH1      ARG  33  -2.636  -0.732  16.833
  184    H    LYS  34           H        LYS  34  -7.672  -0.761  11.661
  185    HA   LYS  34           HA       LYS  34  -9.289   0.504  13.484
  186    HB2  LYS  34           2HB      LYS  34  -7.340   2.468  12.511
  187    HG2  LYS  34           2HG      LYS  34  -8.486   2.221  14.826
  188    HD2  LYS  34           2HD      LYS  34 -10.545   4.031  13.453
  189    HE2  LYS  34           2HE      LYS  34 -11.884   3.648  15.460
  190    HZ1  LYS  34           3HZ      LYS  34 -10.554   4.686  17.110
  191    HZ2  LYS  34           1HZ      LYS  34  -9.160   4.353  16.308
  192    HZ3  LYS  34           2HZ      LYS  34 -10.257   5.401  15.661
  193    H    MET  35           H        MET  35  -8.487   0.686  10.005
  194    HA   MET  35           HA       MET  35 -10.595   1.962   8.966
  195    HB2  MET  35           2HB      MET  35  -9.210  -0.527   7.957
  196    HG2  MET  35           2HG      MET  35  -8.379   0.949   6.237
  197    HE1  MET  35           3HE      MET  35  -7.113   3.850   9.512
  198    HE2  MET  35           1HE      MET  35  -8.238   4.177   8.177
  199    HE3  MET  35           2HE      MET  35  -8.755   3.187   9.558
  200    H    THR  36           H        THR  36 -10.897  -1.579   9.582
  201    HA   THR  36           HA       THR  36 -13.497  -1.851   8.551
  202    HB   THR  36           HB       THR  36 -13.250  -3.920  10.293
  203    HG1  THR  36           HG1      THR  36 -10.994  -4.288  10.526
  204   HG21  THR  36          1HG2      THR  36 -13.301  -4.157   7.860
  205   HG22  THR  36          2HG2      THR  36 -11.645  -3.507   7.741
  206   HG23  THR  36          3HG2      THR  36 -11.939  -5.079   8.523
  207    H    GLN  37           H        GLN  37 -12.472  -0.443  11.566
  208    HA   GLN  37           HA       GLN  37 -14.786  -0.961  13.159
  209    HB2  GLN  37           2HB      GLN  37 -12.401  -0.053  13.684
  210    HG2  GLN  37           2HG      GLN  37 -14.345  -0.303  15.357
  211   HE21  GLN  37          2HE2      GLN  37 -16.171   1.398  14.337
  212   HE22  GLN  37          1HE2      GLN  37 -16.269   2.876  15.269
  213    H    GLY  38           H        GLY  38 -13.956   1.423  10.667
  214    HA2  GLY  38           2HA      GLY  38 -16.521   2.936  11.125
  215    H    LYS  39           H        LYS  39 -14.223   1.785   8.627
  216    HA   LYS  39           HA       LYS  39 -16.241   0.946   6.859
  217    HB2  LYS  39           2HB      LYS  39 -15.510   2.418   4.886
  218    HG2  LYS  39           2HG      LYS  39 -14.103   3.902   6.863
  219    HD2  LYS  39           2HD      LYS  39 -16.633   5.301   5.851
  220    HE2  LYS  39           2HE      LYS  39 -14.384   6.348   7.639
  221    HZ1  LYS  39           3HZ      LYS  39 -15.576   8.416   7.450
  222    HZ2  LYS  39           1HZ      LYS  39 -16.773   7.714   6.573
  223    HZ3  LYS  39           2HZ      LYS  39 -16.547   7.286   8.144
  224    H    CYS  40           H        CYS  40 -15.408  -0.622   5.662
  225    HA   CYS  40           HA       CYS  40 -12.563  -1.253   5.948
  226    HB2  CYS  40           2HB      CYS  40 -13.222  -3.414   5.193
  227    H    LYS  41           H        LYS  41 -11.387  -1.944   3.894
  228    HA   LYS  41           HA       LYS  41 -11.702   0.324   1.992
  229    HB2  LYS  41           2HB      LYS  41  -9.444  -0.836   3.428
  230    HG2  LYS  41           2HG      LYS  41  -8.392   1.263   2.783
  231    HD2  LYS  41           2HD      LYS  41 -11.327   1.695   3.625
  232    HE2  LYS  41           2HE      LYS  41 -10.389   3.820   2.989
  233    HZ1  LYS  41           3HZ      LYS  41  -8.459   4.663   4.140
  234    HZ2  LYS  41           1HZ      LYS  41  -8.175   3.200   4.839
  235    HZ3  LYS  41           2HZ      LYS  41  -8.060   3.373   3.206
  236    HA   PRO  42           HA       PRO  42 -12.762  -2.695  -1.095
  237    HB2  PRO  42           2HB      PRO  42 -12.657  -1.113  -3.340
  238    HG2  PRO  42           2HG      PRO  42 -11.726   0.822  -2.284
  239    HD2  PRO  42           2HD      PRO  42 -11.764   1.098   0.000
  240    H    VAL  43           H        VAL  43  -9.860  -0.649  -1.270
  241    HA   VAL  43           HA       VAL  43  -8.313  -2.992  -2.022
  242    HB   VAL  43           HB       VAL  43  -6.951  -1.618  -3.634
  243   HG11  VAL  43          1HG1      VAL  43  -8.513  -3.355  -4.418
  244   HG12  VAL  43          2HG1      VAL  43  -9.807  -2.139  -4.545
  245   HG13  VAL  43          3HG1      VAL  43  -8.365  -2.018  -5.569
  246   HG21  VAL  43          3HG2      VAL  43  -7.963   0.302  -4.762
  247   HG22  VAL  43          1HG2      VAL  43  -9.378   0.232  -3.699
  248   HG23  VAL  43          2HG2      VAL  43  -7.782   0.648  -3.038
  249    H    ASN  44           H        ASN  44  -6.244  -2.938  -1.139
  250    HA   ASN  44           HA       ASN  44  -5.022  -0.501  -0.160
  251    HB2  ASN  44           2HB      ASN  44  -6.626  -0.996   1.707
  252   HD21  ASN  44          2HD2      ASN  44  -5.621  -1.711   4.149
  253   HD22  ASN  44          1HD2      ASN  44  -4.124  -0.826   4.443
  254    H    THR  45           H        THR  45  -2.999  -0.959  -1.036
  255    HA   THR  45           HA       THR  45  -2.096  -3.655  -1.216
  256    HB   THR  45           HB       THR  45  -0.604  -1.117  -1.847
  257    HG1  THR  45           HG1      THR  45  -2.494  -2.619  -3.355
  258   HG21  THR  45          1HG2      THR  45   0.837  -3.023  -2.007
  259   HG22  THR  45          2HG2      THR  45  -0.402  -3.983  -2.866
  260   HG23  THR  45          3HG2      THR  45   0.360  -2.595  -3.660
  261    H    PHE  46           H        PHE  46  -1.340  -4.781   0.638
  262    HA   PHE  46           HA       PHE  46  -0.139  -3.231   2.808
  263    HB2  PHE  46           2HB      PHE  46  -0.486  -6.211   2.433
  264    HD1  PHE  46           HD1      PHE  46  -2.756  -3.715   2.516
  265    HD2  PHE  46           HD2      PHE  46  -1.376  -6.938   5.021
  266    HE1  PHE  46           HE1      PHE  46  -4.981  -3.852   3.586
  267    HE2  PHE  46           HE2      PHE  46  -3.598  -7.073   6.064
  268    HZ   PHE  46           HZ       PHE  46  -5.400  -5.499   5.391
  269    H    VAL  47           H        VAL  47   2.089  -2.709   2.705
  270    HA   VAL  47           HA       VAL  47   3.855  -4.365   0.974
  271    HB   VAL  47           HB       VAL  47   4.640  -1.966   2.647
  272   HG11  VAL  47          1HG1      VAL  47   6.511  -3.404   1.889
  273   HG12  VAL  47          2HG1      VAL  47   5.953  -3.241   0.214
  274   HG13  VAL  47          3HG1      VAL  47   6.524  -1.818   1.110
  275   HG21  VAL  47          3HG2      VAL  47   4.445  -0.634   0.567
  276   HG22  VAL  47          1HG2      VAL  47   3.703  -2.023  -0.254
  277   HG23  VAL  47          2HG2      VAL  47   2.876  -1.260   1.113
  278    H    HIS  48           H        HIS  48   5.163  -5.940   1.744
  279    HA   HIS  48           HA       HIS  48   5.460  -6.278   4.720
  280    HB2  HIS  48           2HB      HIS  48   4.415  -8.078   2.581
  281    HD1  HIS  48           HD1      HIS  48   4.077  -9.810   5.704
  282    HD2  HIS  48           HD2      HIS  48   2.477  -6.221   4.173
  283    HE1  HIS  48           HE1      HIS  48   2.117  -9.160   7.228
  284    HE2  HIS  48           HE2      HIS  48   1.196  -6.982   6.342
  285    H    GLU  49           H        GLU  49   7.353  -4.928   4.063
  286    HA   GLU  49           HA       GLU  49   9.701  -6.617   3.825
  287    HB2  GLU  49           2HB      GLU  49   8.697  -5.549   1.473
  288    HG2  GLU  49           2HG      GLU  49  10.731  -7.174   1.921
  289    H    SER  50           H        SER  50  11.518  -4.414   3.611
  290    HA   SER  50           HA       SER  50  11.533  -3.634   6.329
  291    HB2  SER  50           2HB      SER  50  13.318  -2.885   4.007
  292    HG   SER  50           HG       SER  50  13.297  -5.054   4.249
  293    H    LEU  51           H        LEU  51  10.487  -1.974   7.227
  294    HA   LEU  51           HA       LEU  51   9.232   0.212   6.137
  295    HB2  LEU  51           2HB      LEU  51   9.127  -0.624   8.502
  296    HG   LEU  51           HG       LEU  51   9.698   2.357   8.217
  297   HD11  LEU  51          1HD1      LEU  51   7.736   1.715   6.905
  298   HD12  LEU  51          2HD1      LEU  51   7.119   0.713   8.237
  299   HD13  LEU  51          3HD1      LEU  51   7.167   2.474   8.396
  300   HD21  LEU  51          3HD2      LEU  51   8.527   2.578  10.383
  301   HD22  LEU  51          1HD2      LEU  51   8.425   0.809  10.509
  302   HD23  LEU  51          2HD2      LEU  51  10.008   1.615  10.542
  303    H    ALA  52           H        ALA  52  12.643   0.099   7.192
  304    HA   ALA  52           HA       ALA  52  13.209   2.840   6.673
  305    HB1  ALA  52           3HB      ALA  52  15.570   2.135   6.741
  306    HB2  ALA  52           1HB      ALA  52  14.645   1.397   8.065
  307    HB3  ALA  52           2HB      ALA  52  15.081   0.430   6.635
  308    H    ASP  53           H        ASP  53  12.994   0.038   4.475
  309    HA   ASP  53           HA       ASP  53  14.604   1.300   2.406
  310    HB2  ASP  53           2HB      ASP  53  14.198  -1.212   2.859
  311    H    VAL  54           H        VAL  54  11.174   0.881   3.253
  312    HA   VAL  54           HA       VAL  54  10.070   2.303   1.051
  313    HB   VAL  54           HB       VAL  54   9.039   1.727   3.807
  314   HG11  VAL  54          1HG1      VAL  54   8.135   3.928   3.446
  315   HG12  VAL  54          2HG1      VAL  54   7.792   3.584   1.726
  316   HG13  VAL  54          3HG1      VAL  54   6.864   2.790   3.006
  317   HG21  VAL  54          3HG2      VAL  54   7.391   0.507   2.387
  318   HG22  VAL  54          1HG2      VAL  54   8.115   1.220   0.954
  319   HG23  VAL  54          2HG2      VAL  54   9.041   0.039   1.916
  320    H    LYS  55           H        LYS  55  11.415   3.601   4.164
  321    HA   LYS  55           HA       LYS  55  10.895   6.324   3.412
  322    HB2  LYS  55           2HB      LYS  55  12.853   5.054   5.266
  323    HG2  LYS  55           2HG      LYS  55  12.056   6.966   6.727
  324    HD2  LYS  55           2HD      LYS  55   9.996   4.963   5.704
  325    HE2  LYS  55           2HE      LYS  55  10.108   6.577   8.313
  326    HZ1  LYS  55           3HZ      LYS  55   7.837   5.410   8.461
  327    HZ2  LYS  55           1HZ      LYS  55   8.328   4.464   7.316
  328    HZ3  LYS  55           2HZ      LYS  55   9.160   4.426   8.756
  329    H    ALA  56           H        ALA  56  13.739   4.214   2.912
  330    HA   ALA  56           HA       ALA  56  15.450   5.882   1.617
  331    HB1  ALA  56           3HB      ALA  56  16.585   3.968   0.791
  332    HB2  ALA  56           1HB      ALA  56  15.834   3.479   2.305
  333    HB3  ALA  56           2HB      ALA  56  15.126   2.987   0.750
  334    H    VAL  57           H        VAL  57  13.175   3.743  -0.235
  335    HA   VAL  57           HA       VAL  57  13.596   4.784  -2.759
  336    HB   VAL  57           HB       VAL  57  12.194   2.949  -2.625
  337   HG11  VAL  57          1HG1      VAL  57  11.152   3.230  -0.494
  338   HG12  VAL  57          2HG1      VAL  57  10.123   4.550  -1.097
  339   HG13  VAL  57          3HG1      VAL  57   9.935   2.892  -1.718
  340   HG21  VAL  57          3HG2      VAL  57  10.232   3.604  -3.970
  341   HG22  VAL  57          1HG2      VAL  57  10.343   5.262  -3.434
  342   HG23  VAL  57          2HG2      VAL  57  11.627   4.602  -4.467
  343    H    CYS  58           H        CYS  58  11.674   6.415  -0.200
  344    HA   CYS  58           HA       CYS  58  10.429   8.243  -2.091
  345    HB2  CYS  58           2HB      CYS  58   9.079   8.449  -0.379
  346    H    SER  59           H        SER  59  13.487   8.130  -0.391
  347    HA   SER  59           HA       SER  59  14.093  10.923  -1.245
  348    HB2  SER  59           2HB      SER  59  16.124  10.646   0.120
  349    HG   SER  59           HG       SER  59  15.151   7.999   0.377
  350    H    GLN  60           H        GLN  60  13.911   8.273  -3.076
  351    HA   GLN  60           HA       GLN  60  16.672   8.539  -4.247
  352    HB2  GLN  60           2HB      GLN  60  15.152   6.163  -3.335
  353    HG2  GLN  60           2HG      GLN  60  17.503   5.191  -3.454
  354   HE21  GLN  60          2HE2      GLN  60  17.426   8.485  -1.937
  355   HE22  GLN  60          1HE2      GLN  60  17.189   7.858  -0.331
  356    H    LYS  61           H        LYS  61  14.202   6.557  -5.789
  357    HA   LYS  61           HA       LYS  61  14.741   8.191  -8.198
  358    HB2  LYS  61           2HB      LYS  61  13.946   5.341  -7.714
  359    HG2  LYS  61           2HG      LYS  61  16.437   6.452  -7.924
  360    HD2  LYS  61           2HD      LYS  61  17.314   5.928 -10.158
  361    HE2  LYS  61           2HE      LYS  61  14.945   7.850 -10.460
  362    HZ1  LYS  61           3HZ      LYS  61  16.299   8.860 -12.112
  363    HZ2  LYS  61           1HZ      LYS  61  17.476   7.728 -11.946
  364    HZ3  LYS  61           2HZ      LYS  61  15.994   7.302 -12.531
  365    H    LYS  62           H        LYS  62  13.245   9.886  -7.732
  366    HA   LYS  62           HA       LYS  62  10.451   9.616  -7.680
  367    HB2  LYS  62           2HB      LYS  62  11.998  11.675  -7.392
  368    HG2  LYS  62           2HG      LYS  62   9.565  11.671  -7.094
  369    HD2  LYS  62           2HD      LYS  62   8.862  11.235  -9.528
  370    HE2  LYS  62           2HE      LYS  62   8.267  13.266 -10.783
  371    HZ1  LYS  62           3HZ      LYS  62  10.371  13.825 -11.661
  372    HZ2  LYS  62           1HZ      LYS  62  11.168  13.275 -10.335
  373    HZ3  LYS  62           2HZ      LYS  62  10.394  12.210 -11.323
  374    H    VAL  63           H        VAL  63   9.067   8.759  -9.243
  375    HA   VAL  63           HA       VAL  63  10.015   8.664 -12.098
  376    HB   VAL  63           HB       VAL  63   8.554   6.750 -12.418
  377   HG11  VAL  63          1HG1      VAL  63  10.983   6.502 -11.948
  378   HG12  VAL  63          2HG1      VAL  63  10.602   6.243 -10.234
  379   HG13  VAL  63          3HG1      VAL  63  10.024   5.099 -11.466
  380   HG21  VAL  63          3HG2      VAL  63   7.641   5.440 -10.581
  381   HG22  VAL  63          1HG2      VAL  63   8.214   6.616  -9.385
  382   HG23  VAL  63          2HG2      VAL  63   6.946   7.053 -10.548
  383    H    THR  64           H        THR  64   8.442   9.040 -13.731
  384    HA   THR  64           HA       THR  64   6.387  10.952 -13.024
  385    HB   THR  64           HB       THR  64   6.767   9.389 -15.601
  386    HG1  THR  64           HG1      THR  64   7.972  11.258 -16.194
  387   HG21  THR  64          1HG2      THR  64   4.578  10.587 -15.371
  388   HG22  THR  64          2HG2      THR  64   5.436  12.081 -14.956
  389   HG23  THR  64          3HG2      THR  64   5.599  11.381 -16.579
  390    H    CYS  65           H        CYS  65   4.630  10.296 -11.974
  391    HA   CYS  65           HA       CYS  65   3.769   7.562 -11.742
  392    HB2  CYS  65           2HB      CYS  65   2.117  10.010 -11.085
  393    H    LYS  66           H        LYS  66   1.190   7.210 -12.170
  394    HA   LYS  66           HA       LYS  66   0.939   7.466 -15.090
  395    HB2  LYS  66           2HB      LYS  66  -0.851   6.109 -13.086
  396    HG2  LYS  66           2HG      LYS  66   1.360   5.082 -14.937
  397    HD2  LYS  66           2HD      LYS  66   0.809   2.850 -13.943
  398    HE2  LYS  66           2HE      LYS  66  -1.537   4.040 -15.517
  399    HZ1  LYS  66           3HZ      LYS  66  -1.728   1.846 -16.367
  400    HZ2  LYS  66           1HZ      LYS  66  -0.503   1.293 -15.419
  401    HZ3  LYS  66           2HZ      LYS  66  -1.908   1.817 -14.733
  402    H    ASP  67           H        ASP  67   0.965   9.911 -14.284
  403    HA   ASP  67           HA       ASP  67  -1.164  11.292 -15.290
  404    HB2  ASP  67           2HB      ASP  67  -2.224  12.345 -13.332
  405    H    GLY  68           H        GLY  68   1.053  11.339 -12.581
  406    HA2  GLY  68           2HA      GLY  68   3.149  12.505 -12.405
  407    H    GLN  69           H        GLN  69   0.344  12.614 -11.230
  408    HA   GLN  69           HA       GLN  69  -0.175  15.360 -10.470
  409    HB2  GLN  69           2HB      GLN  69  -1.878  13.629 -10.758
  410    HG2  GLN  69           2HG      GLN  69  -1.753  14.516  -7.853
  411   HE21  GLN  69          2HE2      GLN  69  -3.185  12.114  -9.861
  412   HE22  GLN  69          1HE2      GLN  69  -4.732  12.117  -9.045
  413    H    THR  70           H        THR  70   1.143  12.484  -8.805
  414    HA   THR  70           HA       THR  70   1.922  14.162  -6.460
  415    HB   THR  70           HB       THR  70   0.473  12.395  -5.816
  416    HG1  THR  70           HG1      THR  70   1.909  11.224  -4.473
  417   HG21  THR  70          1HG2      THR  70   0.619  10.818  -7.683
  418   HG22  THR  70          2HG2      THR  70   2.313  10.484  -7.293
  419   HG23  THR  70          3HG2      THR  70   1.031   9.985  -6.185
  420    H    ASN  71           H        ASN  71   4.042  13.764  -5.512
  421    HA   ASN  71           HA       ASN  71   6.132  13.449  -7.584
  422    HB2  ASN  71           2HB      ASN  71   7.642  14.280  -5.872
  423   HD21  ASN  71          2HD2      ASN  71   8.187  14.575  -3.676
  424   HD22  ASN  71          1HD2      ASN  71   6.992  14.350  -2.395
  425    H    CYS  72           H        CYS  72   5.161  11.130  -7.627
  426    HA   CYS  72           HA       CYS  72   5.902   9.470  -5.376
  427    HB2  CYS  72           2HB      CYS  72   4.981   7.625  -6.441
  428    H    TYR  73           H        TYR  73   7.263   7.643  -5.362
  429    HA   TYR  73           HA       TYR  73   9.604   7.736  -7.185
  430    HB2  TYR  73           2HB      TYR  73   9.476   7.433  -4.154
  431    HD1  TYR  73           HD1      TYR  73   8.638   9.933  -4.452
  432    HD2  TYR  73           HD2      TYR  73  12.594   8.547  -5.124
  433    HE1  TYR  73           HE1      TYR  73   9.493  12.273  -4.209
  434    HE2  TYR  73           HE2      TYR  73  13.478  10.859  -4.961
  435    HH   TYR  73           HH       TYR  73  12.947  13.056  -4.504
  436    H    GLN  74           H        GLN  74  10.385   5.822  -7.843
  437    HA   GLN  74           HA       GLN  74   8.761   3.392  -7.252
  438    HB2  GLN  74           2HB      GLN  74   9.047   3.910  -9.624
  439    HG2  GLN  74           2HG      GLN  74  10.852   1.551  -8.953
  440   HE21  GLN  74          2HE2      GLN  74   8.419   0.174 -10.790
  441   HE22  GLN  74          1HE2      GLN  74   9.162   0.522 -12.319
  442    H    SER  75           H        SER  75   9.565   1.826  -5.960
  443    HA   SER  75           HA       SER  75  12.056   2.173  -4.651
  444    HB2  SER  75           2HB      SER  75  11.557   0.041  -3.582
  445    HG   SER  75           HG       SER  75  10.928  -1.284  -5.261
  446    H    LYS  76           H        LYS  76  14.060   1.319  -4.860
  447    HA   LYS  76           HA       LYS  76  15.103   0.677  -7.363
  448    HB2  LYS  76           2HB      LYS  76  16.996  -0.346  -6.001
  449    HG2  LYS  76           2HG      LYS  76  16.431   1.118  -3.580
  450    HD2  LYS  76           2HD      LYS  76  16.966  -1.839  -4.132
  451    HE2  LYS  76           2HE      LYS  76  17.856  -1.934  -1.850
  452    HZ1  LYS  76           3HZ      LYS  76  15.901  -1.977  -0.651
  453    HZ2  LYS  76           1HZ      LYS  76  15.134  -0.891  -1.467
  454    HZ3  LYS  76           2HZ      LYS  76  15.390  -2.383  -2.183
  455    H    SER  77           H        SER  77  14.570  -1.680  -4.695
  456    HA   SER  77           HA       SER  77  14.756  -3.974  -6.494
  457    HB2  SER  77           2HB      SER  77  14.419  -5.084  -4.193
  458    HG   SER  77           HG       SER  77  13.462  -3.446  -3.067
  459    H    THR  78           H        THR  78  12.987  -5.696  -6.163
  460    HA   THR  78           HA       THR  78  10.264  -4.608  -6.225
  461    HB   THR  78           HB       THR  78   9.888  -7.186  -6.371
  462    HG1  THR  78           HG1      THR  78  11.764  -8.306  -6.995
  463   HG21  THR  78          1HG2      THR  78   9.772  -5.624  -8.338
  464   HG22  THR  78          2HG2      THR  78  11.520  -5.803  -8.562
  465   HG23  THR  78          3HG2      THR  78  10.445  -7.201  -8.774
  466    H    MET  79           H        MET  79   8.768  -5.116  -4.528
  467    HA   MET  79           HA       MET  79   9.882  -6.282  -2.031
  468    HB2  MET  79           2HB      MET  79   8.173  -3.772  -2.358
  469    HG2  MET  79           2HG      MET  79   9.773  -3.030  -0.493
  470    HE1  MET  79           3HE      MET  79  12.801  -1.310  -2.050
  471    HE2  MET  79           1HE      MET  79  11.635  -1.312  -0.709
  472    HE3  MET  79           2HE      MET  79  12.719  -2.703  -0.939
  473    H    ARG  80           H        ARG  80   8.458  -7.542  -0.950
  474    HA   ARG  80           HA       ARG  80   6.254  -8.883  -2.260
  475    HB2  ARG  80           2HB      ARG  80   7.115  -8.637   0.607
  476    HG2  ARG  80           2HG      ARG  80   7.463 -10.769  -1.567
  477    HD2  ARG  80           2HD      ARG  80   6.634 -11.763   0.409
  478    HE   ARG  80           HE       ARG  80   7.259 -10.034   2.061
  479   HH11  ARG  80          1HH2      ARG  80   9.568 -12.685   1.745
  480   HH12  ARG  80          2HH2      ARG  80  10.610 -12.103   3.004
  481   HH21  ARG  80          1HH1      ARG  80   8.627  -9.180   3.549
  482   HH22  ARG  80          2HH1      ARG  80  10.013 -10.061   4.138
  483    H    ILE  81           H        ILE  81   4.327  -7.814  -2.674
  484    HA   ILE  81           HA       ILE  81   3.204  -6.262  -0.426
  485    HB   ILE  81           HB       ILE  81   1.932  -4.905  -1.781
  486   HG12  ILE  81          2HG1      ILE  81   1.788  -6.355  -3.861
  487   HG21  ILE  81          1HG2      ILE  81   4.136  -4.104  -1.090
  488   HG22  ILE  81          2HG2      ILE  81   4.865  -4.674  -2.580
  489   HG23  ILE  81          3HG2      ILE  81   3.628  -3.389  -2.618
  490   HD11  ILE  81          3HD1      ILE  81   3.245  -5.767  -5.714
  491   HD12  ILE  81          1HD1      ILE  81   4.182  -4.650  -4.733
  492   HD13  ILE  81          2HD1      ILE  81   4.297  -6.392  -4.430
  493    H    THR  82           H        THR  82   1.499  -7.109   0.470
  494    HA   THR  82           HA       THR  82  -0.011  -9.281  -0.857
  495    HB   THR  82           HB       THR  82  -1.037  -9.051   1.637
  496    HG1  THR  82           HG1      THR  82   0.612  -8.542   3.062
  497   HG21  THR  82          1HG2      THR  82   0.094 -11.088   0.631
  498   HG22  THR  82          2HG2      THR  82   1.661 -10.345   0.983
  499   HG23  THR  82          3HG2      THR  82   0.584 -10.820   2.313
  500    H    ASP  83           H        ASP  83  -1.120  -8.109  -2.449
  501    HA   ASP  83           HA       ASP  83  -2.258  -5.567  -1.792
  502    HB2  ASP  83           2HB      ASP  83  -1.552  -6.114  -4.091
  503    H    CYS  84           H        CYS  84  -4.006  -5.293  -0.443
  504    HA   CYS  84           HA       CYS  84  -5.813  -7.588  -0.018
  505    HB2  CYS  84           2HB      CYS  84  -4.740  -6.359   1.916
  506    H    ARG  85           H        ARG  85  -7.792  -7.673  -0.976
  507    HA   ARG  85           HA       ARG  85  -9.063  -5.131  -1.880
  508    HB2  ARG  85           2HB      ARG  85  -7.834  -6.272  -3.731
  509    HG2  ARG  85           2HG      ARG  85 -10.809  -6.744  -4.090
  510    HD2  ARG  85           2HD      ARG  85  -8.694  -5.679  -5.980
  511    HE   ARG  85           HE       ARG  85 -11.570  -5.764  -6.100
  512   HH11  ARG  85          1HH2      ARG  85  -8.723  -6.276  -8.099
  513   HH12  ARG  85          2HH2      ARG  85  -9.492  -5.899  -9.611
  514   HH21  ARG  85          1HH1      ARG  85 -12.649  -5.240  -8.076
  515   HH22  ARG  85          2HH1      ARG  85 -11.803  -5.296  -9.588
  516    H    GLU  86           H        GLU  86 -11.363  -5.178  -1.890
  517    HA   GLU  86           HA       GLU  86 -12.651  -7.376  -0.356
  518    HB2  GLU  86           2HB      GLU  86 -13.789  -4.863  -1.634
  519    HG2  GLU  86           2HG      GLU  86 -13.572  -5.624   1.313
  520    H    THR  87           H        THR  87 -13.545  -9.128  -1.402
  521    HA   THR  87           HA       THR  87 -13.600  -9.294  -4.310
  522    HB   THR  87           HB       THR  87 -14.761 -11.460  -3.845
  523    HG1  THR  87           HG1      THR  87 -15.850 -10.968  -1.921
  524   HG21  THR  87          1HG2      THR  87 -12.258 -11.310  -3.825
  525   HG22  THR  87          2HG2      THR  87 -12.319 -10.953  -2.085
  526   HG23  THR  87          3HG2      THR  87 -12.865 -12.529  -2.680
  527    H    GLY  88           H        GLY  88 -15.758  -9.857  -5.404
  528    HA2  GLY  88           2HA      GLY  88 -17.601  -7.671  -4.983
  529    H    SER  89           H        SER  89 -17.793  -8.670  -2.630
  530    HA   SER  89           HA       SER  89 -20.445  -9.818  -2.279
  531    HB2  SER  89           2HB      SER  89 -19.462 -11.867  -1.083
  532    HG   SER  89           HG       SER  89 -17.391 -12.469  -1.803
  533    H    SER  90           H        SER  90 -18.260  -7.588  -1.270
  534    HA   SER  90           HA       SER  90 -18.104  -8.199   1.537
  535    HB2  SER  90           2HB      SER  90 -17.185  -5.775   1.506
  536    HG   SER  90           HG       SER  90 -16.824  -4.914  -0.422
  537    H    LYS  91           H        LYS  91 -19.362  -7.465   3.164
  538    HA   LYS  91           HA       LYS  91 -21.769  -5.792   2.576
  539    HB2  LYS  91           2HB      LYS  91 -21.579  -8.538   3.902
  540    HG2  LYS  91           2HG      LYS  91 -23.072  -7.485   1.449
  541    HD2  LYS  91           2HD      LYS  91 -23.744  -9.887   1.168
  542    HE2  LYS  91           2HE      LYS  91 -24.884  -8.628   3.718
  543    HZ1  LYS  91           3HZ      LYS  91 -26.869  -9.735   3.039
  544    HZ2  LYS  91           1HZ      LYS  91 -26.127 -10.418   1.741
  545    HZ3  LYS  91           2HZ      LYS  91 -25.677 -10.843   3.268
  546    H    TYR  92           H        TYR  92 -20.056  -4.296   3.551
  547    HA   TYR  92           HA       TYR  92 -18.857  -4.464   5.967
  548    HB2  TYR  92           2HB      TYR  92 -18.605  -2.558   4.474
  549    HD1  TYR  92           HD1      TYR  92 -16.933  -2.459   6.372
  550    HD2  TYR  92           HD2      TYR  92 -20.853  -0.731   6.726
  551    HE1  TYR  92           HE1      TYR  92 -16.240  -1.336   8.460
  552    HE2  TYR  92           HE2      TYR  92 -20.164   0.392   8.821
  553    HH   TYR  92           HH       TYR  92 -18.429   0.739  10.350
  554    HA   PRO  93           HA       PRO  93 -18.391  -3.949   8.163
  555    HB2  PRO  93           2HB      PRO  93 -18.513  -5.375  10.439
  556    HG2  PRO  93           2HG      PRO  93 -20.785  -6.102  10.211
  557    HD2  PRO  93           2HD      PRO  93 -22.303  -4.903   8.850
  558    H    ASN  94           H        ASN  94 -20.332  -6.668   7.207
  559    HA   ASN  94           HA       ASN  94 -18.255  -8.722   7.633
  560    HB2  ASN  94           2HB      ASN  94 -21.067  -8.649   6.494
  561   HD21  ASN  94          2HD2      ASN  94 -20.384  -8.187   9.195
  562   HD22  ASN  94          1HD2      ASN  94 -20.813  -9.629  10.106
  563    H    CYS  95           H        CYS  95 -16.702  -7.135   6.502
  564    HA   CYS  95           HA       CYS  95 -16.999  -7.011   3.596
  565    HB2  CYS  95           2HB      CYS  95 -14.727  -6.046   5.337
  566    H    ALA  96           H        ALA  96 -16.179  -8.289   2.101
  567    HA   ALA  96           HA       ALA  96 -15.003 -10.851   2.939
  568    HB1  ALA  96           3HB      ALA  96 -15.699 -11.525   0.680
  569    HB2  ALA  96           1HB      ALA  96 -17.044 -10.768   1.557
  570    HB3  ALA  96           2HB      ALA  96 -16.179  -9.852   0.309
  571    H    TYR  97           H        TYR  97 -12.864  -9.750   3.445
  572    HA   TYR  97           HA       TYR  97 -11.470  -8.619   1.160
  573    HB2  TYR  97           2HB      TYR  97 -10.590  -9.238   3.988
  574    HD1  TYR  97           HD1      TYR  97 -10.025  -6.410   1.613
  575    HD2  TYR  97           HD2      TYR  97 -11.903  -7.660   5.285
  576    HE1  TYR  97           HE1      TYR  97  -9.772  -4.134   2.515
  577    HE2  TYR  97           HE2      TYR  97 -11.805  -5.348   6.117
  578    HH   TYR  97           HH       TYR  97 -10.683  -3.303   5.832
  579    H    LYS  98           H        LYS  98  -9.621  -9.319   0.184
  580    HA   LYS  98           HA       LYS  98  -8.621 -12.099   0.496
  581    HB2  LYS  98           2HB      LYS  98 -10.554 -11.985  -1.075
  582    HG2  LYS  98           2HG      LYS  98  -8.983 -13.713  -1.672
  583    HD2  LYS  98           2HD      LYS  98  -7.560 -11.415  -3.090
  584    HE2  LYS  98           2HE      LYS  98  -7.157 -14.408  -3.535
  585    HZ1  LYS  98           3HZ      LYS  98  -5.248 -13.723  -4.780
  586    HZ2  LYS  98           1HZ      LYS  98  -5.525 -12.122  -4.481
  587    HZ3  LYS  98           2HZ      LYS  98  -5.124 -13.103  -3.243
  588    H    THR  99           H        THR  99  -6.425 -11.844   0.691
  589    HA   THR  99           HA       THR  99  -5.120  -9.520  -0.527
  590    HB   THR  99           HB       THR  99  -4.566 -10.925   1.855
  591    HG1  THR  99           HG1      THR  99  -4.346  -8.746   1.683
  592   HG21  THR  99          1HG2      THR  99  -2.948 -12.374   0.479
  593   HG22  THR  99          2HG2      THR  99  -2.134 -10.868   0.018
  594   HG23  THR  99          3HG2      THR  99  -2.193 -11.357   1.715
  595    H    THR 100           H        THR 100  -3.516  -9.553  -2.073
  596    HA   THR 100           HA       THR 100  -2.978 -12.165  -3.450
  597    HB   THR 100           HB       THR 100  -3.155  -9.434  -4.769
  598    HG1  THR 100           HG1      THR 100  -5.158  -9.757  -4.109
  599   HG21  THR 100          1HG2      THR 100  -1.915 -11.200  -6.003
  600   HG22  THR 100          2HG2      THR 100  -3.312 -12.284  -5.875
  601   HG23  THR 100          3HG2      THR 100  -3.436 -10.778  -6.805
  602    H    GLN 101           H        GLN 101  -1.006 -12.694  -2.642
  603    HA   GLN 101           HA       GLN 101   1.108 -10.813  -2.078
  604    HB2  GLN 101           2HB      GLN 101   0.720 -13.190  -1.156
  605    HG2  GLN 101           2HG      GLN 101   2.717 -12.008  -0.551
  606   HE21  GLN 101          2HE2      GLN 101   3.342 -13.683  -3.730
  607   HE22  GLN 101          1HE2      GLN 101   4.806 -12.797  -4.085
  608    H    VAL 102           H        VAL 102   2.162  -9.685  -3.680
  609    HA   VAL 102           HA       VAL 102   3.215 -11.226  -5.943
  610    HB   VAL 102           HB       VAL 102   2.796  -9.229  -7.468
  611   HG11  VAL 102          1HG1      VAL 102   1.568 -11.356  -7.722
  612   HG12  VAL 102          2HG1      VAL 102   0.307 -10.745  -6.629
  613   HG13  VAL 102          3HG1      VAL 102   0.597  -9.944  -8.183
  614   HG21  VAL 102          3HG2      VAL 102   0.968  -7.722  -7.003
  615   HG22  VAL 102          1HG2      VAL 102   0.603  -8.539  -5.468
  616   HG23  VAL 102          2HG2      VAL 102   2.125  -7.659  -5.664
  617    H    GLU 103           H        GLU 103   5.077 -10.135  -6.850
  618    HA   GLU 103           HA       GLU 103   6.491  -8.385  -4.902
  619    HB2  GLU 103           2HB      GLU 103   8.521  -9.677  -5.670
  620    HG2  GLU 103           2HG      GLU 103   7.497 -10.946  -7.578
  621    H    LYS 104           H        LYS 104   6.533  -6.394  -5.754
  622    HA   LYS 104           HA       LYS 104   7.335  -5.948  -8.584
  623    HB2  LYS 104           2HB      LYS 104   4.730  -5.169  -7.277
  624    HG2  LYS 104           2HG      LYS 104   4.038  -5.317  -9.738
  625    HD2  LYS 104           2HD      LYS 104   4.851  -8.041  -8.650
  626    HE2  LYS 104           2HE      LYS 104   2.592  -8.617  -9.563
  627    HZ1  LYS 104           3HZ      LYS 104   3.130  -8.412 -11.856
  628    HZ2  LYS 104           1HZ      LYS 104   4.284  -7.279 -11.558
  629    HZ3  LYS 104           2HZ      LYS 104   4.483  -8.820 -11.015
  630    H    HIS 105           H        HIS 105   7.782  -3.472  -8.790
  631    HA   HIS 105           HA       HIS 105   9.259  -2.564  -6.398
  632    HB2  HIS 105           2HB      HIS 105   8.354  -0.764  -8.639
  633    HD1  HIS 105           HD1      HIS 105   8.715  -2.384 -10.711
  634    HD2  HIS 105           HD2      HIS 105  12.024  -1.878  -8.157
  635    HE1  HIS 105           HE1      HIS 105  10.807  -3.208 -12.025
  636    HE2  HIS 105           HE2      HIS 105  12.809  -2.874 -10.420
  637    H    ILE 106           H        ILE 106   8.454  -0.978  -4.959
  638    HA   ILE 106           HA       ILE 106   5.498  -0.501  -5.068
  639    HB   ILE 106           HB       ILE 106   5.870   0.448  -2.772
  640   HG12  ILE 106          2HG1      ILE 106   8.588  -0.904  -3.011
  641   HG21  ILE 106          1HG2      ILE 106   4.835  -1.710  -3.320
  642   HG22  ILE 106          2HG2      ILE 106   6.411  -2.519  -3.230
  643   HG23  ILE 106          3HG2      ILE 106   5.674  -1.800  -1.776
  644   HD11  ILE 106          3HD1      ILE 106   8.842  -0.260  -0.637
  645   HD12  ILE 106          1HD1      ILE 106   7.070  -0.014  -0.565
  646   HD13  ILE 106          2HD1      ILE 106   7.755  -1.625  -0.907
  647    H    ILE 107           H        ILE 107   4.747   1.465  -5.518
  648    HA   ILE 107           HA       ILE 107   6.677   3.599  -6.113
  649    HB   ILE 107           HB       ILE 107   3.855   3.502  -7.147
  650   HG12  ILE 107          2HG1      ILE 107   4.805   1.405  -7.969
  651   HG21  ILE 107          1HG2      ILE 107   5.057   5.614  -7.236
  652   HG22  ILE 107          2HG2      ILE 107   6.390   4.878  -8.122
  653   HG23  ILE 107          3HG2      ILE 107   4.777   4.985  -8.865
  654   HD11  ILE 107          3HD1      ILE 107   6.628   1.320  -9.501
  655   HD12  ILE 107          1HD1      ILE 107   6.968   3.044  -9.282
  656   HD13  ILE 107          2HD1      ILE 107   7.180   1.904  -7.920
  657    H    VAL 108           H        VAL 108   6.711   5.065  -4.367
  658    HA   VAL 108           HA       VAL 108   4.150   5.489  -2.861
  659    HB   VAL 108           HB       VAL 108   5.319   5.785  -0.792
  660   HG11  VAL 108          1HG1      VAL 108   4.410   3.595  -1.280
  661   HG12  VAL 108          2HG1      VAL 108   5.943   3.081  -2.020
  662   HG13  VAL 108          3HG1      VAL 108   5.865   3.470  -0.287
  663   HG21  VAL 108          3HG2      VAL 108   7.656   5.182  -0.455
  664   HG22  VAL 108          1HG2      VAL 108   7.870   4.943  -2.204
  665   HG23  VAL 108          2HG2      VAL 108   7.507   6.555  -1.551
  666    H    ALA 109           H        ALA 109   3.973   7.468  -1.708
  667    HA   ALA 109           HA       ALA 109   4.797   9.726  -3.438
  668    HB1  ALA 109           3HB      ALA 109   2.798  10.774  -2.480
  669    HB2  ALA 109           1HB      ALA 109   2.372   9.132  -3.045
  670    HB3  ALA 109           2HB      ALA 109   2.653   9.451  -1.324
  671    H    CYS 110           H        CYS 110   6.462  10.987  -2.630
  672    HA   CYS 110           HA       CYS 110   7.296  10.644   0.182
  673    HB2  CYS 110           2HB      CYS 110   8.818  10.353  -1.813
  674    H    GLY 111           H        GLY 111   7.689  12.404   1.654
  675    HA2  GLY 111           2HA      GLY 111   7.618  15.126   1.065
  676    H    GLY 112           H        GLY 112   5.754  15.833   3.227
  677    HA2  GLY 112           2HA      GLY 112   5.634  16.138   5.475
  678    H    LYS 113           H        LYS 113   8.072  17.065   4.593
  679    HA   LYS 113           HA       LYS 113  10.440  16.460   5.195
  680    HB2  LYS 113           2HB      LYS 113  11.060  18.702   5.784
  681    HG2  LYS 113           2HG      LYS 113   8.752  20.196   5.579
  682    HD2  LYS 113           2HD      LYS 113  10.316  19.403   8.079
  683    HE2  LYS 113           2HE      LYS 113   8.132  20.332   8.752
  684    HZ1  LYS 113           3HZ      LYS 113   7.710  22.647   8.280
  685    HZ2  LYS 113           1HZ      LYS 113   9.003  22.736   7.271
  686    HZ3  LYS 113           2HZ      LYS 113   7.713  21.789   6.879
  687    HA   PRO 114           HA       PRO 114  12.564  16.116   6.195
  688    HB2  PRO 114           2HB      PRO 114  13.682  13.808   7.199
  689    HG2  PRO 114           2HG      PRO 114  11.825  13.278   8.648
  690    HD2  PRO 114           2HD      PRO 114  10.396  14.972   9.457
  691    H    SER 115           H        SER 115  13.326  14.179   4.778
  692    HA   SER 115           HA       SER 115  11.108  13.747   3.146
  693    HB2  SER 115           2HB      SER 115  13.507  13.976   2.445
  694    HG   SER 115           HG       SER 115  13.220  12.596   0.677
  695    H    VAL 116           H        VAL 116   9.379  12.417   3.831
  696    HA   VAL 116           HA       VAL 116  10.010   9.539   4.189
  697    HB   VAL 116           HB       VAL 116   8.410   9.395   6.047
  698   HG11  VAL 116          1HG1      VAL 116  10.853   9.701   6.493
  699   HG12  VAL 116          2HG1      VAL 116  10.578  11.445   6.663
  700   HG13  VAL 116          3HG1      VAL 116   9.811  10.321   7.791
  701   HG21  VAL 116          3HG2      VAL 116   7.615  11.398   7.225
  702   HG22  VAL 116          1HG2      VAL 116   8.353  12.443   6.005
  703   HG23  VAL 116          2HG2      VAL 116   7.009  11.388   5.562
  704    HA   PRO 117           HA       PRO 117   6.523   9.304   1.500
  705    HB2  PRO 117           2HB      PRO 117   5.680   6.723   1.713
  706    HG2  PRO 117           2HG      PRO 117   6.985   6.046   3.564
  707    HD2  PRO 117           2HD      PRO 117   8.654   7.471   4.442
  708    H    VAL 118           H        VAL 118   4.552  10.032   1.623
  709    HA   VAL 118           HA       VAL 118   3.007   9.746   4.176
  710    HB   VAL 118           HB       VAL 118   2.003  11.919   3.634
  711   HG11  VAL 118          1HG1      VAL 118   3.924  11.865   5.122
  712   HG12  VAL 118          2HG1      VAL 118   5.046  12.012   3.749
  713   HG13  VAL 118          3HG1      VAL 118   3.937  13.339   4.146
  714   HG21  VAL 118          3HG2      VAL 118   2.917  13.363   1.884
  715   HG22  VAL 118          1HG2      VAL 118   4.074  12.120   1.386
  716   HG23  VAL 118          2HG2      VAL 118   2.333  11.871   1.137
  717    H    HIS 119           H        HIS 119   2.959   8.862   0.867
  718    HA   HIS 119           HA       HIS 119   0.335   7.736   1.349
  719    HB2  HIS 119           2HB      HIS 119   0.004  10.101   0.293
  720    HD1  HIS 119           HD1      HIS 119  -1.290   7.814  -2.433
  721    HD2  HIS 119           HD2      HIS 119  -2.276   9.074   1.494
  722    HE1  HIS 119           HE1      HIS 119  -3.792   7.354  -2.123
  723    HE2  HIS 119           HE2      HIS 119  -4.385   8.106   0.265
  724    H    PHE 120           H        PHE 120  -0.257   6.334  -0.558
  725    HA   PHE 120           HA       PHE 120   2.130   4.995  -1.745
  726    HB2  PHE 120           2HB      PHE 120   0.681   3.565  -0.443
  727    HD1  PHE 120           HD1      PHE 120   2.562   2.636  -2.323
  728    HD2  PHE 120           HD2      PHE 120  -1.739   2.700  -2.772
  729    HE1  PHE 120           HE1      PHE 120   2.645   0.502  -3.578
  730    HE2  PHE 120           HE2      PHE 120  -1.613   0.642  -4.130
  731    HZ   PHE 120           HZ       PHE 120   0.567  -0.456  -4.527
  732    H    ASP 121           H        ASP 121   2.192   4.781  -4.056
  733    HA   ASP 121           HA       ASP 121   0.145   6.336  -5.586
  734    HB2  ASP 121           2HB      ASP 121   2.430   7.131  -5.876
  735    H    ALA 122           H        ALA 122   2.207   3.348  -5.861
  736    HA   ALA 122           HA       ALA 122   0.039   1.609  -6.585
  737    HB1  ALA 122           3HB      ALA 122   0.591   1.388  -9.007
  738    HB2  ALA 122           1HB      ALA 122   0.031   3.025  -8.653
  739    HB3  ALA 122           2HB      ALA 122   1.764   2.715  -8.858
  740    H    SER 123           H        SER 123   1.338  -0.379  -7.965
  741    HA   SER 123           HA       SER 123   4.137  -0.471  -7.076
  742    HB2  SER 123           2HB      SER 123   2.359  -2.885  -6.676
  743    HG   SER 123           HG       SER 123   2.713  -2.434  -4.440
  744    H    VAL 124           H        VAL 124   5.412  -1.147  -8.725
  745    HA   VAL 124           HA       VAL 124   4.795  -3.253 -10.388
  746    HB   VAL 124           HB       VAL 124   3.580  -0.966 -11.459
  747   HG11  VAL 124          1HG1      VAL 124   5.669  -0.100 -12.373
  748   HG12  VAL 124          2HG1      VAL 124   5.998  -1.665 -13.164
  749   HG13  VAL 124          3HG1      VAL 124   4.604  -0.686 -13.655
  750   HG21  VAL 124          3HG2      VAL 124   3.036  -2.531 -13.290
  751   HG22  VAL 124          1HG2      VAL 124   4.317  -3.633 -12.736
  752   HG23  VAL 124          2HG2      VAL 124   2.900  -3.321 -11.715
  Start of MODEL    8
    1    HA   LYS   1           HA       LYS   1  -0.259  12.027  17.006
    2    HB2  LYS   1           2HB      LYS   1  -0.313  12.217  19.565
    3    HG2  LYS   1           2HG      LYS   1   0.474  13.963  18.029
    4    HD2  LYS   1           2HD      LYS   1   3.349  13.130  18.616
    5    HE2  LYS   1           2HE      LYS   1   1.973  15.087  16.731
    6    HZ1  LYS   1           2HZ      LYS   1   3.290  13.715  15.311
    7    HZ2  LYS   1           3HZ      LYS   1   3.955  15.208  15.430
    8    HZ3  LYS   1           1HZ      LYS   1   4.636  13.939  16.210
    9    H    GLU   2           H        GLU   2   0.144  10.685  15.361
   10    HA   GLU   2           HA       GLU   2   2.790   9.433  15.016
   11    HB2  GLU   2           2HB      GLU   2   1.762   9.278  12.641
   12    HG2  GLU   2           2HG      GLU   2  -0.078  11.153  13.371
   13    H    SER   3           H        SER   3   3.657  10.388  12.728
   14    HA   SER   3           HA       SER   3   3.245  13.342  12.558
   15    HB2  SER   3           2HB      SER   3   5.896  11.931  12.299
   16    HG   SER   3           HG       SER   3   6.406  13.190  14.101
   17    H    ALA   4           H        ALA   4   1.636  11.631  11.402
   18    HA   ALA   4           HA       ALA   4   0.620  11.058   9.501
   19    HB1  ALA   4           3HB      ALA   4   1.110  12.254   7.447
   20    HB2  ALA   4           1HB      ALA   4   1.117  13.363   8.831
   21    HB3  ALA   4           2HB      ALA   4   2.650  12.847   8.097
   22    H    ALA   5           H        ALA   5   4.087  11.089   8.560
   23    HA   ALA   5           HA       ALA   5   4.107   9.032   6.719
   24    HB1  ALA   5           3HB      ALA   5   6.480   8.701   7.334
   25    HB2  ALA   5           1HB      ALA   5   6.061  10.419   7.197
   26    HB3  ALA   5           2HB      ALA   5   6.244   9.675   8.801
   27    H    ALA   6           H        ALA   6   4.743   8.641  10.222
   28    HA   ALA   6           HA       ALA   6   4.997   5.887  10.330
   29    HB1  ALA   6           3HB      ALA   6   4.445   6.097  12.713
   30    HB2  ALA   6           1HB      ALA   6   5.520   7.403  12.179
   31    HB3  ALA   6           2HB      ALA   6   3.787   7.723  12.432
   32    H    LYS   7           H        LYS   7   1.981   7.738  10.135
   33    HA   LYS   7           HA       LYS   7   0.287   5.502  11.011
   34    HB2  LYS   7           2HB      LYS   7  -0.261   7.811  11.554
   35    HG2  LYS   7           2HG      LYS   7  -2.201   6.637   9.543
   36    HD2  LYS   7           2HD      LYS   7  -2.161   9.269  11.004
   37    HE2  LYS   7           2HE      LYS   7  -4.030   8.019  12.064
   38    HZ1  LYS   7           3HZ      LYS   7  -5.908   7.452  10.756
   39    HZ2  LYS   7           1HZ      LYS   7  -5.226   8.011   9.370
   40    HZ3  LYS   7           2HZ      LYS   7  -4.629   6.662  10.079
   41    H    PHE   8           H        PHE   8   0.828   7.412   8.054
   42    HA   PHE   8           HA       PHE   8  -0.624   5.926   6.128
   43    HB2  PHE   8           2HB      PHE   8   0.230   7.880   5.287
   44    HD1  PHE   8           HD1      PHE   8  -0.078   5.724   3.576
   45    HD2  PHE   8           HD2      PHE   8   3.687   7.122   5.117
   46    HE1  PHE   8           HE1      PHE   8   1.087   4.465   1.845
   47    HE2  PHE   8           HE2      PHE   8   4.867   5.842   3.405
   48    HZ   PHE   8           HZ       PHE   8   3.618   4.759   1.568
   49    H    GLU   9           H        GLU   9   2.734   5.537   7.221
   50    HA   GLU   9           HA       GLU   9   3.471   3.174   5.976
   51    HB2  GLU   9           2HB      GLU   9   4.333   4.500   8.528
   52    HG2  GLU   9           2HG      GLU   9   5.792   3.556   6.043
   53    H    ARG  10           H        ARG  10   2.346   3.280   9.454
   54    HA   ARG  10           HA       ARG  10   2.230   0.500   9.361
   55    HB2  ARG  10           2HB      ARG  10   0.874   2.393  11.313
   56    HG2  ARG  10           2HG      ARG  10   3.475   0.795  11.160
   57    HD2  ARG  10           2HD      ARG  10   2.267   0.330  13.287
   58    HE   ARG  10           HE       ARG  10   1.347   2.228  14.244
   59   HH11  ARG  10          1HH2      ARG  10   4.646   2.945  13.267
   60   HH12  ARG  10          2HH2      ARG  10   4.844   4.335  14.288
   61   HH21  ARG  10          1HH1      ARG  10   1.510   4.142  15.554
   62   HH22  ARG  10          2HH1      ARG  10   2.974   5.067  15.567
   63    H    GLN  11           H        GLN  11  -0.190   2.682   8.153
   64    HA   GLN  11           HA       GLN  11  -2.394   0.774   8.099
   65    HB2  GLN  11           2HB      GLN  11  -1.781   3.380   6.686
   66    HG2  GLN  11           2HG      GLN  11  -3.887   2.648   8.781
   67   HE21  GLN  11          2HE2      GLN  11  -3.243   4.716   6.208
   68   HE22  GLN  11          1HE2      GLN  11  -4.117   6.116   6.782
   69    H    HIS  12           H        HIS  12   0.499   0.831   6.297
   70    HA   HIS  12           HA       HIS  12  -0.672  -0.881   4.170
   71    HB2  HIS  12           2HB      HIS  12  -0.270   0.546   2.468
   72    HD1  HIS  12           HD1      HIS  12   1.876   2.882   4.608
   73    HD2  HIS  12           HD2      HIS  12   2.166   0.155   1.404
   74    HE1  HIS  12           HE1      HIS  12   4.333   2.977   3.770
   75    HE2  HIS  12           HE2      HIS  12   4.481   1.338   1.797
   76    H    MET  13           H        MET  13   2.327   0.460   5.493
   77    HA   MET  13           HA       MET  13   4.100  -1.650   4.550
   78    HB2  MET  13           2HB      MET  13   5.292   0.294   4.695
   79    HG2  MET  13           2HG      MET  13   6.482   0.720   6.775
   80    HE1  MET  13           3HE      MET  13   8.483  -1.837   4.762
   81    HE2  MET  13           1HE      MET  13   6.930  -1.231   4.210
   82    HE3  MET  13           2HE      MET  13   8.082  -0.157   5.077
   83    H    ASP  14           H        ASP  14   4.304  -3.559   5.559
   84    HA   ASP  14           HA       ASP  14   4.156  -3.850   8.446
   85    HB2  ASP  14           2HB      ASP  14   1.823  -4.207   8.218
   86    H    SER  15           H        SER  15   5.162  -5.869   8.972
   87    HA   SER  15           HA       SER  15   6.100  -7.559   6.752
   88    HB2  SER  15           2HB      SER  15   8.034  -6.165   8.590
   89    HG   SER  15           HG       SER  15   8.060  -5.701   6.372
   90    H    GLY  16           H        GLY  16   5.231  -9.371   7.175
   91    HA2  GLY  16           2HA      GLY  16   5.515 -10.684   9.758
   92    H    ASN  17           H        ASN  17   5.341 -13.003   9.389
   93    HA   ASN  17           HA       ASN  17   5.583 -13.924   6.563
   94    HB2  ASN  17           2HB      ASN  17   7.849 -13.443   7.396
   95   HD21  ASN  17          2HD2      ASN  17   9.506 -15.565   8.251
   96   HD22  ASN  17          1HD2      ASN  17   9.305 -16.894   7.126
   97    H    SER  18           H        SER  18   4.235 -15.684   6.340
   98    HA   SER  18           HA       SER  18   4.024 -17.675   8.394
   99    HB2  SER  18           2HB      SER  18   2.455 -16.100   9.368
  100    HG   SER  18           HG       SER  18   0.628 -17.405   9.336
  101    HA   PRO  19           HA       PRO  19   3.937 -19.619   4.496
  102    HB2  PRO  19           2HB      PRO  19   3.055 -22.176   5.072
  103    HG2  PRO  19           2HG      PRO  19   2.187 -21.641   7.253
  104    HD2  PRO  19           2HD      PRO  19   2.960 -19.770   8.447
  105    H    SER  20           H        SER  20   2.592 -19.721   2.757
  106    HA   SER  20           HA       SER  20   0.732 -19.612   1.478
  107    HB2  SER  20           2HB      SER  20  -0.545 -21.253   3.661
  108    HG   SER  20           HG       SER  20   0.541 -22.977   2.832
  109    H    SER  21           H        SER  21   0.924 -17.669   4.003
  110    HA   SER  21           HA       SER  21  -1.853 -17.286   4.662
  111    HB2  SER  21           2HB      SER  21   0.048 -17.043   6.236
  112    HG   SER  21           HG       SER  21  -0.785 -14.981   7.078
  113    H    SER  22           H        SER  22  -3.276 -16.004   3.687
  114    HA   SER  22           HA       SER  22  -2.377 -13.544   2.299
  115    HB2  SER  22           2HB      SER  22  -3.870 -15.810   1.046
  116    HG   SER  22           HG       SER  22  -3.059 -13.944  -0.632
  117    H    SER  23           H        SER  23  -5.693 -14.908   2.591
  118    HA   SER  23           HA       SER  23  -6.910 -12.501   3.034
  119    HB2  SER  23           2HB      SER  23  -8.543 -14.414   4.236
  120    HG   SER  23           HG       SER  23  -8.151 -16.290   3.037
  121    H    ASN  24           H        ASN  24  -5.562 -14.726   5.378
  122    HA   ASN  24           HA       ASN  24  -6.389 -13.778   7.821
  123    HB2  ASN  24           2HB      ASN  24  -3.485 -14.316   7.119
  124   HD21  ASN  24          2HD2      ASN  24  -2.800 -16.373   6.702
  125   HD22  ASN  24          1HD2      ASN  24  -3.875 -17.771   6.734
  126    H    TYR  25           H        TYR  25  -3.572 -12.431   6.013
  127    HA   TYR  25           HA       TYR  25  -3.078 -10.400   7.945
  128    HB2  TYR  25           2HB      TYR  25  -2.514 -10.355   4.934
  129    HD1  TYR  25           HD2      TYR  25  -0.635 -10.752   8.194
  130    HD2  TYR  25           HD1      TYR  25  -1.056 -11.950   4.073
  131    HE1  TYR  25           HE2      TYR  25   1.412 -12.121   8.383
  132    HE2  TYR  25           HE1      TYR  25   1.043 -13.234   4.234
  133    HH   TYR  25           HH       TYR  25   2.935 -13.438   7.267
  134    H    CYS  26           H        CYS  26  -5.141 -10.551   5.097
  135    HA   CYS  26           HA       CYS  26  -5.534  -7.751   4.633
  136    HB2  CYS  26           2HB      CYS  26  -6.720 -10.274   3.733
  137    H    ASN  27           H        ASN  27  -7.637 -10.133   6.181
  138    HA   ASN  27           HA       ASN  27  -9.473  -8.106   7.114
  139    HB2  ASN  27           2HB      ASN  27  -9.305 -11.057   7.822
  140   HD21  ASN  27          2HD2      ASN  27  -8.894 -11.609   5.501
  141   HD22  ASN  27          1HD2      ASN  27 -10.148 -11.349   4.295
  142    H    LEU  28           H        LEU  28  -6.907 -10.096   8.640
  143    HA   LEU  28           HA       LEU  28  -7.303  -9.370  11.292
  144    HB2  LEU  28           2HB      LEU  28  -5.629 -11.081  10.452
  145    HG   LEU  28           HG       LEU  28  -4.406  -8.911  12.215
  146   HD11  LEU  28          1HD1      LEU  28  -6.389  -9.933  13.265
  147   HD12  LEU  28          2HD1      LEU  28  -5.783 -11.558  12.873
  148   HD13  LEU  28          3HD1      LEU  28  -4.923 -10.535  14.041
  149   HD21  LEU  28          3HD2      LEU  28  -2.793 -10.661  12.855
  150   HD22  LEU  28          1HD2      LEU  28  -3.502 -11.766  11.657
  151   HD23  LEU  28          2HD2      LEU  28  -2.679 -10.281  11.129
  152    H    MET  29           H        MET  29  -5.108  -7.829   8.874
  153    HA   MET  29           HA       MET  29  -4.256  -5.790  10.656
  154    HB2  MET  29           2HB      MET  29  -3.091  -6.682   8.622
  155    HG2  MET  29           2HG      MET  29  -3.353  -3.672   8.940
  156    HE1  MET  29           3HE      MET  29  -0.095  -5.836   6.500
  157    HE2  MET  29           1HE      MET  29  -0.370  -6.149   8.236
  158    HE3  MET  29           2HE      MET  29  -1.572  -6.643   7.026
  159    H    MET  30           H        MET  30  -6.778  -5.833   8.064
  160    HA   MET  30           HA       MET  30  -7.602  -3.139   8.286
  161    HB2  MET  30           2HB      MET  30  -9.073  -5.724   7.651
  162    HG2  MET  30           2HG      MET  30  -7.426  -4.542   6.042
  163    HE1  MET  30           3HE      MET  30  -7.907  -1.486   3.732
  164    HE2  MET  30           1HE      MET  30  -6.782  -2.735   4.325
  165    HE3  MET  30           2HE      MET  30  -8.251  -3.212   3.453
  166    H    CYS  31           H        CYS  31  -8.740  -5.991  10.161
  167    HA   CYS  31           HA       CYS  31 -10.513  -4.573  11.849
  168    HB2  CYS  31           2HB      CYS  31 -10.541  -7.027  11.599
  169    HG   CYS  31           HG       CYS  31 -10.791  -7.832  14.093
  170    H    CYS  32           H        CYS  32  -7.178  -5.692  12.583
  171    HA   CYS  32           HA       CYS  32  -7.036  -4.581  15.170
  172    HB2  CYS  32           2HB      CYS  32  -4.886  -5.417  13.177
  173    HG   CYS  32           HG       CYS  32  -4.356  -7.416  14.768
  174    H    ARG  33           H        ARG  33  -5.927  -3.226  12.026
  175    HA   ARG  33           HA       ARG  33  -4.956  -0.802  13.267
  176    HB2  ARG  33           2HB      ARG  33  -4.239  -1.810  10.978
  177    HG2  ARG  33           2HG      ARG  33  -4.369   0.530   9.800
  178    HD2  ARG  33           2HD      ARG  33  -2.311  -0.311  10.600
  179    HE   ARG  33           HE       ARG  33  -2.144  -0.979  12.729
  180   HH11  ARG  33          1HH2      ARG  33  -3.712   2.162  12.768
  181   HH12  ARG  33          2HH2      ARG  33  -3.778   2.312  14.496
  182   HH21  ARG  33          1HH1      ARG  33  -2.219  -0.852  15.035
  183   HH22  ARG  33          2HH1      ARG  33  -2.891   0.538  15.816
  184    H    LYS  34           H        LYS  34  -7.990  -1.957  11.954
  185    HA   LYS  34           HA       LYS  34 -10.034  -1.322  12.077
  186    HB2  LYS  34           2HB      LYS  34  -9.069  -0.765  14.560
  187    HG2  LYS  34           2HG      LYS  34 -11.123  -1.914  14.131
  188    HD2  LYS  34           2HD      LYS  34 -12.304   0.817  13.439
  189    HE2  LYS  34           2HE      LYS  34 -14.334  -0.613  12.836
  190    HZ1  LYS  34           3HZ      LYS  34 -15.121  -0.811  15.059
  191    HZ2  LYS  34           1HZ      LYS  34 -13.604  -0.624  15.680
  192    HZ3  LYS  34           2HZ      LYS  34 -14.315   0.609  14.834
  193    H    MET  35           H        MET  35  -8.736  -0.358  10.031
  194    HA   MET  35           HA       MET  35  -9.378   2.453   9.539
  195    HB2  MET  35           2HB      MET  35  -8.693   0.129   7.673
  196    HG2  MET  35           2HG      MET  35  -7.154   2.614   8.554
  197    HE1  MET  35           3HE      MET  35  -4.992  -0.822   6.373
  198    HE2  MET  35           1HE      MET  35  -5.414  -0.819   8.090
  199    HE3  MET  35           2HE      MET  35  -6.691  -0.981   6.871
  200    H    THR  36           H        THR  36 -11.101  -0.583   9.537
  201    HA   THR  36           HA       THR  36 -13.244   0.097   7.762
  202    HB   THR  36           HB       THR  36 -14.043  -2.121   8.937
  203    HG1  THR  36           HG1      THR  36 -12.302  -3.129  10.046
  204   HG21  THR  36          1HG2      THR  36 -12.938  -2.042   6.720
  205   HG22  THR  36          2HG2      THR  36 -11.345  -2.035   7.502
  206   HG23  THR  36          3HG2      THR  36 -12.410  -3.450   7.656
  207    H    GLN  37           H        GLN  37 -13.252   2.245   9.244
  208    HA   GLN  37           HA       GLN  37 -15.329   1.992  11.372
  209    HB2  GLN  37           2HB      GLN  37 -13.645   4.272  10.330
  210    HG2  GLN  37           2HG      GLN  37 -12.790   2.726  12.161
  211   HE21  GLN  37          2HE2      GLN  37 -15.139   5.130  13.567
  212   HE22  GLN  37          1HE2      GLN  37 -15.728   4.048  14.811
  213    H    GLY  38           H        GLY  38 -15.626   4.778   9.349
  214    HA2  GLY  38           2HA      GLY  38 -18.395   4.311   9.089
  215    H    LYS  39           H        LYS  39 -15.782   3.341   6.965
  216    HA   LYS  39           HA       LYS  39 -17.588   1.859   5.327
  217    HB2  LYS  39           2HB      LYS  39 -16.666   2.643   3.168
  218    HG2  LYS  39           2HG      LYS  39 -14.714   4.024   4.154
  219    HD2  LYS  39           2HD      LYS  39 -17.054   5.995   4.413
  220    HE2  LYS  39           2HE      LYS  39 -15.272   7.715   4.870
  221    HZ1  LYS  39           3HZ      LYS  39 -14.726   8.148   2.605
  222    HZ2  LYS  39           1HZ      LYS  39 -15.127   6.626   2.138
  223    HZ3  LYS  39           2HZ      LYS  39 -16.289   7.649   2.695
  224    H    CYS  40           H        CYS  40 -16.288   0.341   4.011
  225    HA   CYS  40           HA       CYS  40 -13.631  -0.216   5.231
  226    HB2  CYS  40           2HB      CYS  40 -13.954  -2.454   4.703
  227    H    LYS  41           H        LYS  41 -12.098  -1.220   3.439
  228    HA   LYS  41           HA       LYS  41 -11.925   0.895   1.355
  229    HB2  LYS  41           2HB      LYS  41 -10.166   0.013   3.371
  230    HG2  LYS  41           2HG      LYS  41 -10.334   2.265   1.944
  231    HD2  LYS  41           2HD      LYS  41  -7.862   0.858   0.883
  232    HE2  LYS  41           2HE      LYS  41  -9.246   3.296  -0.290
  233    HZ1  LYS  41           3HZ      LYS  41  -7.298   3.511  -1.506
  234    HZ2  LYS  41           1HZ      LYS  41  -6.407   2.592  -0.464
  235    HZ3  LYS  41           2HZ      LYS  41  -7.466   1.858  -1.443
  236    HA   PRO  42           HA       PRO  42 -12.667  -2.576  -1.420
  237    HB2  PRO  42           2HB      PRO  42 -12.362  -1.328  -3.838
  238    HG2  PRO  42           2HG      PRO  42 -11.355   0.713  -3.012
  239    HD2  PRO  42           2HD      PRO  42 -11.578   1.334  -0.779
  240    H    VAL  43           H        VAL  43  -9.803  -0.480  -1.720
  241    HA   VAL  43           HA       VAL  43  -8.116  -2.862  -2.231
  242    HB   VAL  43           HB       VAL  43  -6.880  -1.466  -3.987
  243   HG11  VAL  43          1HG1      VAL  43  -8.067  -3.527  -4.491
  244   HG12  VAL  43          2HG1      VAL  43  -9.597  -2.634  -4.696
  245   HG13  VAL  43          3HG1      VAL  43  -8.243  -2.356  -5.807
  246   HG21  VAL  43          3HG2      VAL  43  -8.169   0.065  -5.349
  247   HG22  VAL  43          1HG2      VAL  43  -9.598  -0.126  -4.329
  248   HG23  VAL  43          2HG2      VAL  43  -8.150   0.690  -3.698
  249    H    ASN  44           H        ASN  44  -6.522  -2.842  -0.770
  250    HA   ASN  44           HA       ASN  44  -5.041  -0.320  -0.288
  251    HB2  ASN  44           2HB      ASN  44  -6.474  -0.681   1.744
  252   HD21  ASN  44          2HD2      ASN  44  -5.307  -0.991   4.143
  253   HD22  ASN  44          1HD2      ASN  44  -3.703  -0.285   4.215
  254    H    THR  45           H        THR  45  -3.142  -0.856  -1.340
  255    HA   THR  45           HA       THR  45  -2.307  -3.585  -1.459
  256    HB   THR  45           HB       THR  45  -0.870  -1.057  -2.248
  257    HG1  THR  45           HG1      THR  45  -2.692  -2.724  -3.675
  258   HG21  THR  45          1HG2      THR  45   0.609  -2.950  -2.312
  259   HG22  THR  45          2HG2      THR  45  -0.610  -3.962  -3.139
  260   HG23  THR  45          3HG2      THR  45   0.141  -2.607  -3.992
  261    H    PHE  46           H        PHE  46  -1.372  -4.633   0.368
  262    HA   PHE  46           HA       PHE  46   0.034  -2.951   2.324
  263    HB2  PHE  46           2HB      PHE  46  -0.246  -5.949   2.270
  264    HD1  PHE  46           HD1      PHE  46  -2.440  -3.135   2.579
  265    HD2  PHE  46           HD2      PHE  46  -1.393  -6.917   4.359
  266    HE1  PHE  46           HE1      PHE  46  -4.644  -3.244   3.681
  267    HE2  PHE  46           HE2      PHE  46  -3.558  -6.953   5.536
  268    HZ   PHE  46           HZ       PHE  46  -5.221  -5.149   5.172
  269    H    VAL  47           H        VAL  47   2.258  -3.191   2.783
  270    HA   VAL  47           HA       VAL  47   3.907  -4.284   0.498
  271    HB   VAL  47           HB       VAL  47   3.904  -1.710   2.136
  272   HG11  VAL  47          1HG1      VAL  47   6.263  -2.377   2.085
  273   HG12  VAL  47          2HG1      VAL  47   6.127  -2.657   0.340
  274   HG13  VAL  47          3HG1      VAL  47   5.959  -1.020   0.997
  275   HG21  VAL  47          3HG2      VAL  47   3.865  -0.715  -0.169
  276   HG22  VAL  47          1HG2      VAL  47   3.823  -2.355  -0.845
  277   HG23  VAL  47          2HG2      VAL  47   2.473  -1.770   0.128
  278    H    HIS  48           H        HIS  48   5.159  -6.008   1.157
  279    HA   HIS  48           HA       HIS  48   5.980  -6.211   4.009
  280    HB2  HIS  48           2HB      HIS  48   5.540  -8.277   1.880
  281    HD1  HIS  48           HD1      HIS  48   5.106 -10.283   4.625
  282    HD2  HIS  48           HD2      HIS  48   3.410  -6.493   3.841
  283    HE1  HIS  48           HE1      HIS  48   3.112 -10.003   6.194
  284    HE2  HIS  48           HE2      HIS  48   2.217  -7.677   5.827
  285    H    GLU  49           H        GLU  49   7.388  -4.549   3.896
  286    HA   GLU  49           HA       GLU  49  10.077  -5.572   3.467
  287    HB2  GLU  49           2HB      GLU  49   9.057  -3.578   1.678
  288    HG2  GLU  49           2HG      GLU  49  11.958  -4.239   2.326
  289    H    SER  50           H        SER  50  11.369  -3.281   4.452
  290    HA   SER  50           HA       SER  50  10.179  -3.025   7.194
  291    HB2  SER  50           2HB      SER  50  12.966  -2.717   6.132
  292    HG   SER  50           HG       SER  50  12.113  -4.865   6.440
  293    H    LEU  51           H        LEU  51   9.940  -1.051   8.117
  294    HA   LEU  51           HA       LEU  51   9.081   1.171   6.833
  295    HB2  LEU  51           2HB      LEU  51   8.934   0.669   9.252
  296    HG   LEU  51           HG       LEU  51   9.419   3.325   8.176
  297   HD11  LEU  51          1HD1      LEU  51   7.256   2.492   8.991
  298   HD12  LEU  51          2HD1      LEU  51   7.910   2.342  10.639
  299   HD13  LEU  51          3HD1      LEU  51   7.749   3.940   9.888
  300   HD21  LEU  51          3HD2      LEU  51  10.135   4.470  10.225
  301   HD22  LEU  51          1HD2      LEU  51  10.374   2.911  11.042
  302   HD23  LEU  51          2HD2      LEU  51  11.400   3.366   9.661
  303    H    ALA  52           H        ALA  52  12.467   0.793   7.986
  304    HA   ALA  52           HA       ALA  52  13.399   3.254   7.001
  305    HB1  ALA  52           3HB      ALA  52  15.646   2.269   7.217
  306    HB2  ALA  52           1HB      ALA  52  14.632   1.871   8.617
  307    HB3  ALA  52           2HB      ALA  52  14.937   0.647   7.361
  308    H    ASP  53           H        ASP  53  12.796   0.228   5.210
  309    HA   ASP  53           HA       ASP  53  14.557   0.988   3.005
  310    HB2  ASP  53           2HB      ASP  53  13.969  -1.418   3.634
  311    H    VAL  54           H        VAL  54  11.029   0.770   3.595
  312    HA   VAL  54           HA       VAL  54  10.062   2.203   1.362
  313    HB   VAL  54           HB       VAL  54   9.127   1.808   4.193
  314   HG11  VAL  54          1HG1      VAL  54   8.384   4.056   3.917
  315   HG12  VAL  54          2HG1      VAL  54   7.813   3.740   2.250
  316   HG13  VAL  54          3HG1      VAL  54   7.002   3.004   3.649
  317   HG21  VAL  54          3HG2      VAL  54   7.245   0.738   2.982
  318   HG22  VAL  54          1HG2      VAL  54   7.935   1.261   1.446
  319   HG23  VAL  54          2HG2      VAL  54   8.803   0.070   2.439
  320    H    LYS  55           H        LYS  55  11.280   3.580   4.442
  321    HA   LYS  55           HA       LYS  55  10.949   6.260   3.732
  322    HB2  LYS  55           2HB      LYS  55  11.462   5.478   5.978
  323    HG2  LYS  55           2HG      LYS  55  12.205   7.885   4.855
  324    HD2  LYS  55           2HD      LYS  55  14.624   6.729   6.324
  325    HE2  LYS  55           2HE      LYS  55  14.130   9.482   5.085
  326    HZ1  LYS  55           3HZ      LYS  55  16.262  10.009   6.001
  327    HZ2  LYS  55           1HZ      LYS  55  16.492   8.465   6.517
  328    HZ3  LYS  55           2HZ      LYS  55  16.410   8.795   4.904
  329    H    ALA  56           H        ALA  56  13.821   4.149   3.206
  330    HA   ALA  56           HA       ALA  56  15.439   6.076   1.895
  331    HB1  ALA  56           3HB      ALA  56  16.676   4.167   1.007
  332    HB2  ALA  56           1HB      ALA  56  16.279   3.908   2.717
  333    HB3  ALA  56           2HB      ALA  56  15.367   3.058   1.453
  334    H    VAL  57           H        VAL  57  13.229   3.624   0.479
  335    HA   VAL  57           HA       VAL  57  13.417   4.183  -2.208
  336    HB   VAL  57           HB       VAL  57  11.064   3.272  -0.547
  337   HG11  VAL  57          1HG1      VAL  57  10.019   4.257  -2.453
  338   HG12  VAL  57          2HG1      VAL  57  11.264   3.662  -3.551
  339   HG13  VAL  57          3HG1      VAL  57  10.116   2.530  -2.791
  340   HG21  VAL  57          3HG2      VAL  57  11.629   1.097  -1.589
  341   HG22  VAL  57          1HG2      VAL  57  12.971   1.859  -2.467
  342   HG23  VAL  57          2HG2      VAL  57  13.019   1.741  -0.710
  343    H    CYS  58           H        CYS  58  11.178   5.866   0.109
  344    HA   CYS  58           HA       CYS  58  10.075   7.583  -1.835
  345    HB2  CYS  58           2HB      CYS  58   8.943   8.386  -0.162
  346    H    SER  59           H        SER  59  13.239   7.784  -0.263
  347    HA   SER  59           HA       SER  59  13.715  10.451  -1.488
  348    HB2  SER  59           2HB      SER  59  14.220   9.789   0.971
  349    HG   SER  59           HG       SER  59  16.254  10.802  -0.729
  350    H    GLN  60           H        GLN  60  13.563   7.744  -3.036
  351    HA   GLN  60           HA       GLN  60  16.414   7.397  -3.801
  352    HB2  GLN  60           2HB      GLN  60  14.972   5.599  -2.816
  353    HG2  GLN  60           2HG      GLN  60  15.800   3.854  -4.467
  354   HE21  GLN  60          2HE2      GLN  60  16.277   3.966  -1.951
  355   HE22  GLN  60          1HE2      GLN  60  17.969   4.257  -1.586
  356    H    LYS  61           H        LYS  61  13.678   6.522  -5.918
  357    HA   LYS  61           HA       LYS  61  14.714   8.407  -8.002
  358    HB2  LYS  61           2HB      LYS  61  13.965   5.485  -8.163
  359    HG2  LYS  61           2HG      LYS  61  16.424   6.995  -9.187
  360    HD2  LYS  61           2HD      LYS  61  17.435   4.775  -9.333
  361    HE2  LYS  61           2HE      LYS  61  16.093   3.573 -10.977
  362    HZ1  LYS  61           3HZ      LYS  61  15.474   5.327 -12.467
  363    HZ2  LYS  61           1HZ      LYS  61  15.512   6.444 -11.265
  364    HZ3  LYS  61           2HZ      LYS  61  16.905   5.707 -11.748
  365    H    LYS  62           H        LYS  62  13.137   9.941  -8.083
  366    HA   LYS  62           HA       LYS  62  10.351   9.558  -7.767
  367    HB2  LYS  62           2HB      LYS  62  11.482  11.727  -7.732
  368    HG2  LYS  62           2HG      LYS  62   8.963  11.392  -8.494
  369    HD2  LYS  62           2HD      LYS  62  10.232  12.846 -10.876
  370    HE2  LYS  62           2HE      LYS  62   7.315  12.239 -10.148
  371    HZ1  LYS  62           3HZ      LYS  62   6.826  13.491 -12.151
  372    HZ2  LYS  62           1HZ      LYS  62   8.401  13.491 -12.591
  373    HZ3  LYS  62           2HZ      LYS  62   7.535  12.096 -12.571
  374    H    VAL  63           H        VAL  63   8.739   8.954  -9.221
  375    HA   VAL  63           HA       VAL  63   9.441   8.656 -12.084
  376    HB   VAL  63           HB       VAL  63   7.971   6.689 -12.252
  377   HG11  VAL  63          1HG1      VAL  63  10.445   6.470 -12.134
  378   HG12  VAL  63          2HG1      VAL  63  10.328   6.217 -10.382
  379   HG13  VAL  63          3HG1      VAL  63   9.598   5.050 -11.509
  380   HG21  VAL  63          3HG2      VAL  63   7.373   5.353 -10.301
  381   HG22  VAL  63          1HG2      VAL  63   8.090   6.549  -9.203
  382   HG23  VAL  63          2HG2      VAL  63   6.652   6.957 -10.165
  383    H    THR  64           H        THR  64   7.479   8.904 -13.412
  384    HA   THR  64           HA       THR  64   5.541  10.764 -12.135
  385    HB   THR  64           HB       THR  64   5.937   9.935 -15.025
  386    HG1  THR  64           HG1      THR  64   6.918  11.947 -15.135
  387   HG21  THR  64          1HG2      THR  64   3.604  10.659 -14.565
  388   HG22  THR  64          2HG2      THR  64   4.206  12.125 -13.761
  389   HG23  THR  64          3HG2      THR  64   4.467  11.887 -15.500
  390    H    CYS  65           H        CYS  65   3.597  10.043 -11.537
  391    HA   CYS  65           HA       CYS  65   3.309   7.225 -11.144
  392    HB2  CYS  65           2HB      CYS  65   1.144   9.291 -10.663
  393    H    LYS  66           H        LYS  66   0.854   6.332 -11.497
  394    HA   LYS  66           HA       LYS  66   0.564   6.288 -14.406
  395    HB2  LYS  66           2HB      LYS  66   0.453   4.261 -12.844
  396    HG2  LYS  66           2HG      LYS  66  -1.771   4.758 -14.869
  397    HD2  LYS  66           2HD      LYS  66  -0.686   2.194 -13.627
  398    HE2  LYS  66           2HE      LYS  66  -2.617   2.646 -15.965
  399    HZ1  LYS  66           3HZ      LYS  66  -2.702   0.258 -16.046
  400    HZ2  LYS  66           1HZ      LYS  66  -1.807   0.124 -14.672
  401    HZ3  LYS  66           2HZ      LYS  66  -3.311   0.798 -14.618
  402    H    ASP  67           H        ASP  67   0.207   8.633 -14.063
  403    HA   ASP  67           HA       ASP  67  -2.159   9.737 -14.927
  404    HB2  ASP  67           2HB      ASP  67  -3.428   9.187 -13.033
  405    H    GLY  68           H        GLY  68  -0.718  11.143 -12.109
  406    HA2  GLY  68           2HA      GLY  68   1.942  11.567 -12.520
  407    H    GLN  69           H        GLN  69  -0.000  11.753 -10.395
  408    HA   GLN  69           HA       GLN  69  -0.002  14.593  -9.594
  409    HB2  GLN  69           2HB      GLN  69  -2.014  12.933  -9.536
  410    HG2  GLN  69           2HG      GLN  69  -1.375  14.680  -7.143
  411   HE21  GLN  69          2HE2      GLN  69  -4.342  15.487  -8.043
  412   HE22  GLN  69          1HE2      GLN  69  -5.271  14.360  -7.072
  413    H    THR  70           H        THR  70   0.673  15.216  -7.465
  414    HA   THR  70           HA       THR  70   1.908  15.337  -5.626
  415    HB   THR  70           HB       THR  70   2.026  13.524  -4.124
  416    HG1  THR  70           HG1      THR  70   1.712  11.838  -6.374
  417   HG21  THR  70          1HG2      THR  70  -0.278  14.371  -4.681
  418   HG22  THR  70          2HG2      THR  70  -0.471  12.970  -5.765
  419   HG23  THR  70          3HG2      THR  70  -0.221  12.718  -4.037
  420    H    ASN  71           H        ASN  71   3.717  12.572  -5.406
  421    HA   ASN  71           HA       ASN  71   5.790  13.019  -7.241
  422    HB2  ASN  71           2HB      ASN  71   5.964  14.864  -5.051
  423   HD21  ASN  71          2HD2      ASN  71   5.824  15.602  -7.443
  424   HD22  ASN  71          1HD2      ASN  71   7.387  15.989  -8.171
  425    H    CYS  72           H        CYS  72   5.323  10.879  -7.454
  426    HA   CYS  72           HA       CYS  72   5.712   9.090  -5.160
  427    HB2  CYS  72           2HB      CYS  72   4.591   7.436  -6.417
  428    H    TYR  73           H        TYR  73   7.262   7.539  -5.065
  429    HA   TYR  73           HA       TYR  73   9.522   7.706  -7.000
  430    HB2  TYR  73           2HB      TYR  73   9.372   7.709  -3.976
  431    HD1  TYR  73           HD1      TYR  73   8.692  10.181  -4.717
  432    HD2  TYR  73           HD2      TYR  73  12.574   8.443  -5.011
  433    HE1  TYR  73           HE1      TYR  73   9.702  12.457  -4.744
  434    HE2  TYR  73           HE2      TYR  73  13.613  10.685  -5.080
  435    HH   TYR  73           HH       TYR  73  13.236  12.950  -4.908
  436    H    GLN  74           H        GLN  74  10.379   5.846  -7.664
  437    HA   GLN  74           HA       GLN  74   8.831   3.385  -7.108
  438    HB2  GLN  74           2HB      GLN  74   9.147   4.011  -9.433
  439    HG2  GLN  74           2HG      GLN  74  11.011   1.680  -8.839
  440   HE21  GLN  74          2HE2      GLN  74   8.505   0.680 -10.839
  441   HE22  GLN  74          1HE2      GLN  74   9.310   0.995 -12.356
  442    H    SER  75           H        SER  75   9.615   1.711  -6.001
  443    HA   SER  75           HA       SER  75  11.935   1.792  -4.470
  444    HB2  SER  75           2HB      SER  75  10.219   0.192  -4.003
  445    HG   SER  75           HG       SER  75  11.709  -1.813  -4.326
  446    H    LYS  76           H        LYS  76  13.869   1.175  -4.562
  447    HA   LYS  76           HA       LYS  76  15.637   0.905  -6.694
  448    HB2  LYS  76           2HB      LYS  76  17.013  -0.393  -4.939
  449    HG2  LYS  76           2HG      LYS  76  16.051   0.519  -2.569
  450    HD2  LYS  76           2HD      LYS  76  15.412  -2.200  -3.703
  451    HE2  LYS  76           2HE      LYS  76  15.564  -1.451  -0.769
  452    HZ1  LYS  76           3HZ      LYS  76  13.789  -3.175  -0.683
  453    HZ2  LYS  76           1HZ      LYS  76  14.142  -3.581  -2.241
  454    HZ3  LYS  76           2HZ      LYS  76  15.279  -3.743  -1.027
  455    H    SER  77           H        SER  77  13.548  -1.546  -5.173
  456    HA   SER  77           HA       SER  77  14.362  -3.527  -7.266
  457    HB2  SER  77           2HB      SER  77  14.471  -5.245  -5.525
  458    HG   SER  77           HG       SER  77  13.070  -4.485  -4.011
  459    H    THR  78           H        THR  78  12.785  -5.371  -7.428
  460    HA   THR  78           HA       THR  78  10.016  -4.630  -6.883
  461    HB   THR  78           HB       THR  78   9.801  -7.170  -7.397
  462    HG1  THR  78           HG1      THR  78  11.646  -8.051  -8.353
  463   HG21  THR  78          1HG2      THR  78   9.318  -5.361  -9.072
  464   HG22  THR  78          2HG2      THR  78  11.039  -5.320  -9.507
  465   HG23  THR  78          3HG2      THR  78  10.072  -6.772  -9.837
  466    H    MET  79           H        MET  79   8.813  -5.901  -5.179
  467    HA   MET  79           HA       MET  79  10.321  -7.454  -3.253
  468    HB2  MET  79           2HB      MET  79   9.873  -5.924  -1.364
  469    HG2  MET  79           2HG      MET  79   9.640  -3.555  -3.153
  470    HE1  MET  79           3HE      MET  79   7.228  -4.471   0.673
  471    HE2  MET  79           1HE      MET  79   6.672  -4.904  -0.949
  472    HE3  MET  79           2HE      MET  79   8.081  -5.712  -0.226
  473    H    ARG  80           H        ARG  80   8.800  -8.122  -1.457
  474    HA   ARG  80           HA       ARG  80   6.475  -9.165  -2.774
  475    HB2  ARG  80           2HB      ARG  80   7.876  -9.641  -0.181
  476    HG2  ARG  80           2HG      ARG  80   7.089 -12.003  -0.760
  477    HD2  ARG  80           2HD      ARG  80   8.285 -12.187  -3.032
  478    HE   ARG  80           HE       ARG  80   9.464 -11.577  -0.454
  479   HH11  ARG  80          1HH2      ARG  80  10.327 -12.098  -3.868
  480   HH12  ARG  80          2HH2      ARG  80  11.709 -13.077  -3.535
  481   HH21  ARG  80          1HH1      ARG  80  11.411 -12.755   0.015
  482   HH22  ARG  80          2HH1      ARG  80  12.408 -13.342  -1.278
  483    H    ILE  81           H        ILE  81   4.610  -8.261  -3.040
  484    HA   ILE  81           HA       ILE  81   3.540  -6.285  -1.103
  485    HB   ILE  81           HB       ILE  81   2.187  -6.907  -3.674
  486   HG12  ILE  81          2HG1      ILE  81   4.500  -6.603  -4.538
  487   HG21  ILE  81          1HG2      ILE  81   1.098  -5.416  -2.252
  488   HG22  ILE  81          2HG2      ILE  81   2.532  -4.376  -2.093
  489   HG23  ILE  81          3HG2      ILE  81   1.704  -4.527  -3.662
  490   HD11  ILE  81          3HD1      ILE  81   5.622  -4.430  -4.337
  491   HD12  ILE  81          1HD1      ILE  81   4.397  -3.872  -3.193
  492   HD13  ILE  81          2HD1      ILE  81   5.481  -5.202  -2.752
  493    H    THR  82           H        THR  82   1.583  -6.642  -0.244
  494    HA   THR  82           HA       THR  82   0.171  -9.224  -0.682
  495    HB   THR  82           HB       THR  82  -0.556  -8.416   1.857
  496    HG1  THR  82           HG1      THR  82   1.364  -7.877   2.916
  497   HG21  THR  82          1HG2      THR  82   0.219 -10.689   1.161
  498   HG22  THR  82          2HG2      THR  82   1.892 -10.088   1.148
  499   HG23  THR  82          3HG2      THR  82   0.983 -10.169   2.673
  500    H    ASP  83           H        ASP  83  -1.007  -8.176  -2.419
  501    HA   ASP  83           HA       ASP  83  -2.076  -5.552  -1.938
  502    HB2  ASP  83           2HB      ASP  83  -1.473  -6.290  -4.208
  503    H    CYS  84           H        CYS  84  -3.902  -5.123  -0.597
  504    HA   CYS  84           HA       CYS  84  -5.627  -7.447  -0.038
  505    HB2  CYS  84           2HB      CYS  84  -4.627  -6.070   1.861
  506    H    ARG  85           H        ARG  85  -7.532  -7.682  -1.092
  507    HA   ARG  85           HA       ARG  85  -8.827  -5.237  -2.267
  508    HB2  ARG  85           2HB      ARG  85  -7.626  -6.856  -3.910
  509    HG2  ARG  85           2HG      ARG  85 -10.608  -6.303  -4.101
  510    HD2  ARG  85           2HD      ARG  85  -9.006  -6.965  -6.509
  511    HE   ARG  85           HE       ARG  85 -11.854  -6.833  -5.675
  512   HH11  ARG  85          1HH2      ARG  85  -9.701  -8.028  -8.188
  513   HH12  ARG  85          2HH2      ARG  85 -10.875  -7.970  -9.467
  514   HH21  ARG  85          1HH1      ARG  85 -13.414  -6.608  -7.362
  515   HH22  ARG  85          2HH1      ARG  85 -13.064  -7.162  -8.967
  516    H    GLU  86           H        GLU  86 -11.117  -5.281  -2.259
  517    HA   GLU  86           HA       GLU  86 -12.452  -7.071  -0.406
  518    HB2  GLU  86           2HB      GLU  86 -14.480  -6.039  -1.318
  519    HG2  GLU  86           2HG      GLU  86 -12.753  -4.287  -3.083
  520    H    THR  87           H        THR  87 -13.479  -9.032  -0.911
  521    HA   THR  87           HA       THR  87 -14.103  -9.715  -3.693
  522    HB   THR  87           HB       THR  87 -12.912 -11.846  -3.598
  523    HG1  THR  87           HG1      THR  87 -11.625 -12.362  -1.861
  524   HG21  THR  87          1HG2      THR  87 -11.634  -9.871  -4.458
  525   HG22  THR  87          2HG2      THR  87 -10.900  -9.699  -2.841
  526   HG23  THR  87          3HG2      THR  87 -10.618 -11.168  -3.795
  527    H    GLY  88           H        GLY  88 -15.185 -11.995  -3.604
  528    HA2  GLY  88           2HA      GLY  88 -16.501 -13.563  -2.659
  529    H    SER  89           H        SER  89 -17.014 -10.743  -0.530
  530    HA   SER  89           HA       SER  89 -19.687 -10.080  -1.388
  531    HB2  SER  89           2HB      SER  89 -20.773 -11.134   0.736
  532    HG   SER  89           HG       SER  89 -19.736 -13.075   1.371
  533    H    SER  90           H        SER  90 -18.066  -8.152  -1.075
  534    HA   SER  90           HA       SER  90 -17.325  -7.502   1.597
  535    HB2  SER  90           2HB      SER  90 -16.401  -5.434   0.360
  536    HG   SER  90           HG       SER  90 -16.701  -5.425  -1.768
  537    H    LYS  91           H        LYS  91 -19.748  -7.764   2.194
  538    HA   LYS  91           HA       LYS  91 -21.535  -5.512   1.539
  539    HB2  LYS  91           2HB      LYS  91 -21.806  -8.122   3.094
  540    HG2  LYS  91           2HG      LYS  91 -22.581  -7.131   0.352
  541    HD2  LYS  91           2HD      LYS  91 -24.345  -8.967   0.318
  542    HE2  LYS  91           2HE      LYS  91 -24.919  -6.452   1.979
  543    HZ1  LYS  91           3HZ      LYS  91 -27.134  -6.719   1.201
  544    HZ2  LYS  91           1HZ      LYS  91 -26.783  -8.140   0.455
  545    HZ3  LYS  91           2HZ      LYS  91 -26.716  -8.029   2.099
  546    H    TYR  92           H        TYR  92 -19.989  -3.974   2.572
  547    HA   TYR  92           HA       TYR  92 -19.348  -3.639   5.200
  548    HB2  TYR  92           2HB      TYR  92 -18.885  -1.907   3.581
  549    HD1  TYR  92           HD1      TYR  92 -17.910  -1.228   5.827
  550    HD2  TYR  92           HD2      TYR  92 -21.925  -0.190   4.669
  551    HE1  TYR  92           HE1      TYR  92 -18.103   0.268   7.807
  552    HE2  TYR  92           HE2      TYR  92 -22.100   1.326   6.607
  553    HH   TYR  92           HH       TYR  92 -21.027   2.211   8.446
  554    HA   PRO  93           HA       PRO  93 -19.461  -2.793   7.339
  555    HB2  PRO  93           2HB      PRO  93 -20.010  -3.865   9.729
  556    HG2  PRO  93           2HG      PRO  93 -22.082  -4.910   9.126
  557    HD2  PRO  93           2HD      PRO  93 -23.323  -4.137   7.279
  558    H    ASN  94           H        ASN  94 -21.076  -5.770   6.545
  559    HA   ASN  94           HA       ASN  94 -18.950  -7.581   7.513
  560    HB2  ASN  94           2HB      ASN  94 -21.649  -7.842   6.166
  561   HD21  ASN  94          2HD2      ASN  94 -21.310  -7.128   8.802
  562   HD22  ASN  94          1HD2      ASN  94 -21.617  -8.527   9.824
  563    H    CYS  95           H        CYS  95 -17.491  -5.876   6.297
  564    HA   CYS  95           HA       CYS  95 -17.319  -6.426   3.432
  565    HB2  CYS  95           2HB      CYS  95 -15.552  -4.799   5.218
  566    H    ALA  96           H        ALA  96 -15.420  -7.445   2.442
  567    HA   ALA  96           HA       ALA  96 -14.518  -9.878   3.908
  568    HB1  ALA  96           3HB      ALA  96 -15.414 -11.149   1.933
  569    HB2  ALA  96           1HB      ALA  96 -16.702 -10.342   2.866
  570    HB3  ALA  96           2HB      ALA  96 -16.144  -9.643   1.340
  571    H    TYR  97           H        TYR  97 -12.317  -9.787   3.629
  572    HA   TYR  97           HA       TYR  97 -11.279  -8.568   1.112
  573    HB2  TYR  97           2HB      TYR  97 -10.179  -8.660   3.929
  574    HD1  TYR  97           HD1      TYR  97  -9.756  -6.042   1.404
  575    HD2  TYR  97           HD2      TYR  97 -11.990  -7.236   4.893
  576    HE1  TYR  97           HE1      TYR  97 -10.014  -3.706   2.033
  577    HE2  TYR  97           HE2      TYR  97 -12.466  -4.858   5.396
  578    HH   TYR  97           HH       TYR  97 -11.289  -2.727   5.058
  579    H    LYS  98           H        LYS  98  -9.524  -9.427   0.064
  580    HA   LYS  98           HA       LYS  98  -8.322 -11.940   1.061
  581    HB2  LYS  98           2HB      LYS  98 -10.133 -12.466  -0.536
  582    HG2  LYS  98           2HG      LYS  98  -8.244 -14.017  -0.384
  583    HD2  LYS  98           2HD      LYS  98  -6.862 -12.164  -2.089
  584    HE2  LYS  98           2HE      LYS  98  -7.231 -14.793  -3.504
  585    HZ1  LYS  98           3HZ      LYS  98  -5.688 -13.829  -5.018
  586    HZ2  LYS  98           1HZ      LYS  98  -5.614 -12.399  -4.220
  587    HZ3  LYS  98           2HZ      LYS  98  -5.008 -13.750  -3.517
  588    H    THR  99           H        THR  99  -6.156 -11.964   0.836
  589    HA   THR  99           HA       THR  99  -4.829  -9.634  -0.288
  590    HB   THR  99           HB       THR  99  -3.454 -11.938   1.055
  591    HG1  THR  99           HG1      THR  99  -4.086 -11.135   3.031
  592   HG21  THR  99          1HG2      THR  99  -2.106 -10.052   0.222
  593   HG22  THR  99          2HG2      THR  99  -3.077  -8.921   1.200
  594   HG23  THR  99          3HG2      THR  99  -2.079 -10.159   1.998
  595    H    THR 100           H        THR 100  -3.742  -9.671  -2.237
  596    HA   THR 100           HA       THR 100  -3.137 -12.298  -3.540
  597    HB   THR 100           HB       THR 100  -3.433  -9.507  -4.672
  598    HG1  THR 100           HG1      THR 100  -5.368 -10.203  -5.242
  599   HG21  THR 100          1HG2      THR 100  -1.822 -10.752  -6.005
  600   HG22  THR 100          2HG2      THR 100  -2.869 -12.190  -6.027
  601   HG23  THR 100          3HG2      THR 100  -3.363 -10.705  -6.870
  602    H    GLN 101           H        GLN 101  -1.199 -13.001  -3.053
  603    HA   GLN 101           HA       GLN 101   1.057 -11.344  -2.262
  604    HB2  GLN 101           2HB      GLN 101   0.699 -14.291  -2.957
  605    HG2  GLN 101           2HG      GLN 101  -0.361 -13.415  -0.760
  606   HE21  GLN 101          2HE2      GLN 101   0.589 -13.949   1.721
  607   HE22  GLN 101          1HE2      GLN 101   1.906 -12.857   2.115
  608    H    VAL 102           H        VAL 102   2.228 -10.220  -3.821
  609    HA   VAL 102           HA       VAL 102   3.156 -11.630  -6.211
  610    HB   VAL 102           HB       VAL 102   2.625  -9.555  -7.629
  611   HG11  VAL 102          1HG1      VAL 102   1.517 -11.743  -7.977
  612   HG12  VAL 102          2HG1      VAL 102   0.217 -11.239  -6.880
  613   HG13  VAL 102          3HG1      VAL 102   0.487 -10.362  -8.391
  614   HG21  VAL 102          3HG2      VAL 102   0.650  -8.231  -7.079
  615   HG22  VAL 102          1HG2      VAL 102   0.463  -9.071  -5.535
  616   HG23  VAL 102          2HG2      VAL 102   1.881  -8.040  -5.823
  617    H    GLU 103           H        GLU 103   5.125 -10.466  -7.072
  618    HA   GLU 103           HA       GLU 103   6.078  -8.424  -5.153
  619    HB2  GLU 103           2HB      GLU 103   8.402  -9.131  -5.781
  620    HG2  GLU 103           2HG      GLU 103   6.938 -11.689  -6.603
  621    H    LYS 104           H        LYS 104   6.543  -6.503  -5.833
  622    HA   LYS 104           HA       LYS 104   6.808  -5.833  -8.710
  623    HB2  LYS 104           2HB      LYS 104   4.455  -5.284  -6.938
  624    HG2  LYS 104           2HG      LYS 104   3.340  -5.002  -9.136
  625    HD2  LYS 104           2HD      LYS 104   4.429  -7.788  -9.308
  626    HE2  LYS 104           2HE      LYS 104   2.024  -8.305  -9.431
  627    HZ1  LYS 104           3HZ      LYS 104   1.455  -7.064 -11.376
  628    HZ2  LYS 104           1HZ      LYS 104   2.635  -5.956 -11.094
  629    HZ3  LYS 104           2HZ      LYS 104   3.036  -7.509 -11.458
  630    H    HIS 105           H        HIS 105   7.284  -3.385  -8.778
  631    HA   HIS 105           HA       HIS 105   9.066  -2.573  -6.538
  632    HB2  HIS 105           2HB      HIS 105   8.093  -0.785  -8.787
  633    HD1  HIS 105           HD1      HIS 105   8.223  -2.606 -10.729
  634    HD2  HIS 105           HD2      HIS 105  11.783  -1.556  -8.715
  635    HE1  HIS 105           HE1      HIS 105  10.182  -3.281 -12.288
  636    HE2  HIS 105           HE2      HIS 105  12.340  -2.640 -11.032
  637    H    ILE 106           H        ILE 106   8.088  -1.592  -4.694
  638    HA   ILE 106           HA       ILE 106   5.383  -0.533  -4.860
  639    HB   ILE 106           HB       ILE 106   5.871   0.545  -2.707
  640   HG12  ILE 106          2HG1      ILE 106   8.589  -0.848  -2.815
  641   HG21  ILE 106          1HG2      ILE 106   4.930  -1.687  -2.889
  642   HG22  ILE 106          2HG2      ILE 106   6.554  -2.417  -2.909
  643   HG23  ILE 106          3HG2      ILE 106   5.966  -1.555  -1.472
  644   HD11  ILE 106          3HD1      ILE 106   9.030   0.562  -0.802
  645   HD12  ILE 106          1HD1      ILE 106   7.312   1.015  -0.780
  646   HD13  ILE 106          2HD1      ILE 106   7.806  -0.675  -0.509
  647    H    ILE 107           H        ILE 107   4.733   1.590  -5.112
  648    HA   ILE 107           HA       ILE 107   6.784   3.570  -5.853
  649    HB   ILE 107           HB       ILE 107   3.978   3.626  -6.922
  650   HG12  ILE 107          2HG1      ILE 107   4.868   1.428  -7.634
  651   HG21  ILE 107          1HG2      ILE 107   5.436   5.621  -7.012
  652   HG22  ILE 107          2HG2      ILE 107   6.627   4.740  -7.950
  653   HG23  ILE 107          3HG2      ILE 107   5.008   5.043  -8.632
  654   HD11  ILE 107          3HD1      ILE 107   6.530   1.237  -9.330
  655   HD12  ILE 107          1HD1      ILE 107   6.884   2.969  -9.293
  656   HD13  ILE 107          2HD1      ILE 107   7.266   1.942  -7.885
  657    H    VAL 108           H        VAL 108   6.873   5.030  -4.120
  658    HA   VAL 108           HA       VAL 108   4.339   5.479  -2.582
  659    HB   VAL 108           HB       VAL 108   5.451   5.595  -0.526
  660   HG11  VAL 108          1HG1      VAL 108   4.813   3.353  -1.332
  661   HG12  VAL 108          2HG1      VAL 108   6.464   3.104  -1.943
  662   HG13  VAL 108          3HG1      VAL 108   6.176   3.315  -0.202
  663   HG21  VAL 108          3HG2      VAL 108   7.870   5.129  -0.226
  664   HG22  VAL 108          1HG2      VAL 108   8.072   5.216  -1.994
  665   HG23  VAL 108          2HG2      VAL 108   7.552   6.641  -1.080
  666    H    ALA 109           H        ALA 109   3.983   7.444  -1.628
  667    HA   ALA 109           HA       ALA 109   4.848   9.693  -3.288
  668    HB1  ALA 109           3HB      ALA 109   2.945  10.795  -2.254
  669    HB2  ALA 109           1HB      ALA 109   2.454   9.143  -2.719
  670    HB3  ALA 109           2HB      ALA 109   2.860   9.523  -1.030
  671    H    CYS 110           H        CYS 110   6.645  10.819  -2.652
  672    HA   CYS 110           HA       CYS 110   7.481  10.757   0.213
  673    HB2  CYS 110           2HB      CYS 110   9.009  10.076  -1.768
  674    H    GLY 111           H        GLY 111   7.650  12.659   1.455
  675    HA2  GLY 111           2HA      GLY 111   7.944  15.238   0.466
  676    H    GLY 112           H        GLY 112   6.732  16.940   1.987
  677    HA2  GLY 112           2HA      GLY 112   6.418  17.785   4.105
  678    H    LYS 113           H        LYS 113   8.817  18.132   3.699
  679    HA   LYS 113           HA       LYS 113  10.892  16.702   4.267
  680    HB2  LYS 113           2HB      LYS 113  12.244  18.543   4.688
  681    HG2  LYS 113           2HG      LYS 113  10.955  19.794   6.440
  682    HD2  LYS 113           2HD      LYS 113   9.404  20.795   3.990
  683    HE2  LYS 113           2HE      LYS 113   8.227  22.270   5.585
  684    HZ1  LYS 113           3HZ      LYS 113   9.941  23.834   6.025
  685    HZ2  LYS 113           1HZ      LYS 113  11.127  22.719   5.839
  686    HZ3  LYS 113           2HZ      LYS 113  10.219  23.180   4.544
  687    HA   PRO 114           HA       PRO 114  13.052  16.261   5.443
  688    HB2  PRO 114           2HB      PRO 114  13.898  13.920   6.610
  689    HG2  PRO 114           2HG      PRO 114  11.916  13.578   7.944
  690    HD2  PRO 114           2HD      PRO 114  10.528  15.379   8.526
  691    H    SER 115           H        SER 115  13.815  14.071   4.321
  692    HA   SER 115           HA       SER 115  11.770  13.582   2.401
  693    HB2  SER 115           2HB      SER 115  14.263  13.688   2.011
  694    HG   SER 115           HG       SER 115  14.173  11.928   0.478
  695    H    VAL 116           H        VAL 116  10.024  12.691   3.728
  696    HA   VAL 116           HA       VAL 116  10.338   9.787   4.307
  697    HB   VAL 116           HB       VAL 116   8.822  10.015   6.153
  698   HG11  VAL 116          1HG1      VAL 116  11.269  10.376   6.485
  699   HG12  VAL 116          2HG1      VAL 116  11.011  12.125   6.337
  700   HG13  VAL 116          3HG1      VAL 116  10.272  11.236   7.678
  701   HG21  VAL 116          3HG2      VAL 116   8.095  12.225   7.004
  702   HG22  VAL 116          1HG2      VAL 116   8.707  13.000   5.535
  703   HG23  VAL 116          2HG2      VAL 116   7.368  11.845   5.440
  704    HA   PRO 117           HA       PRO 117   6.839   9.422   1.617
  705    HB2  PRO 117           2HB      PRO 117   6.065   6.868   1.943
  706    HG2  PRO 117           2HG      PRO 117   7.229   6.285   3.954
  707    HD2  PRO 117           2HD      PRO 117   8.617   7.898   4.900
  708    H    VAL 118           H        VAL 118   4.773  10.049   1.781
  709    HA   VAL 118           HA       VAL 118   3.331   9.612   4.390
  710    HB   VAL 118           HB       VAL 118   2.362  11.822   4.199
  711   HG11  VAL 118          1HG1      VAL 118   4.480  11.517   5.454
  712   HG12  VAL 118          2HG1      VAL 118   5.396  11.981   4.002
  713   HG13  VAL 118          3HG1      VAL 118   4.312  13.148   4.777
  714   HG21  VAL 118          3HG2      VAL 118   3.189  13.470   2.555
  715   HG22  VAL 118          1HG2      VAL 118   4.210  12.241   1.788
  716   HG23  VAL 118          2HG2      VAL 118   2.439  12.104   1.714
  717    H    HIS 119           H        HIS 119   3.257   8.798   1.149
  718    HA   HIS 119           HA       HIS 119   0.601   7.776   1.605
  719    HB2  HIS 119           2HB      HIS 119   0.484  10.161   0.331
  720    HD1  HIS 119           HD1      HIS 119  -1.265   7.743  -1.970
  721    HD2  HIS 119           HD2      HIS 119  -1.757   9.532   1.848
  722    HE1  HIS 119           HE1      HIS 119  -3.792   7.744  -1.471
  723    HE2  HIS 119           HE2      HIS 119  -4.083   8.828   0.848
  724    H    PHE 120           H        PHE 120   0.005   6.337  -0.267
  725    HA   PHE 120           HA       PHE 120   2.379   5.059  -1.555
  726    HB2  PHE 120           2HB      PHE 120   1.278   3.516  -0.086
  727    HD1  PHE 120           HD1      PHE 120   2.824   2.194  -1.514
  728    HD2  PHE 120           HD2      PHE 120  -1.257   3.013  -2.669
  729    HE1  PHE 120           HE1      PHE 120   2.839   0.218  -3.003
  730    HE2  PHE 120           HE2      PHE 120  -1.255   0.988  -4.086
  731    HZ   PHE 120           HZ       PHE 120   0.785  -0.413  -4.244
  732    H    ASP 121           H        ASP 121   2.204   4.775  -3.825
  733    HA   ASP 121           HA       ASP 121  -0.079   6.139  -5.203
  734    HB2  ASP 121           2HB      ASP 121   1.995   7.086  -5.892
  735    H    ALA 122           H        ALA 122   2.155   3.351  -5.753
  736    HA   ALA 122           HA       ALA 122  -0.009   1.457  -6.223
  737    HB1  ALA 122           3HB      ALA 122   0.466   1.191  -8.637
  738    HB2  ALA 122           1HB      ALA 122  -0.133   2.823  -8.294
  739    HB3  ALA 122           2HB      ALA 122   1.600   2.558  -8.569
  740    H    SER 123           H        SER 123   1.173  -0.569  -7.389
  741    HA   SER 123           HA       SER 123   4.039  -0.603  -6.744
  742    HB2  SER 123           2HB      SER 123   2.243  -2.962  -6.091
  743    HG   SER 123           HG       SER 123   2.834  -2.476  -3.939
  744    H    VAL 124           H        VAL 124   5.087  -1.048  -8.639
  745    HA   VAL 124           HA       VAL 124   4.341  -3.310 -10.138
  746    HB   VAL 124           HB       VAL 124   3.027  -1.009 -11.054
  747   HG11  VAL 124          1HG1      VAL 124   4.994  -0.229 -12.262
  748   HG12  VAL 124          2HG1      VAL 124   5.172  -1.818 -13.050
  749   HG13  VAL 124          3HG1      VAL 124   3.753  -0.805 -13.379
  750   HG21  VAL 124          3HG2      VAL 124   2.177  -2.592 -12.746
  751   HG22  VAL 124          1HG2      VAL 124   3.490  -3.725 -12.356
  752   HG23  VAL 124          2HG2      VAL 124   2.246  -3.345 -11.152
  Start of MODEL    9
    1    HA   LYS   1           HA       LYS   1   1.469  12.535  17.248
    2    HB2  LYS   1           2HB      LYS   1   4.185  11.163  17.081
    3    HG2  LYS   1           2HG      LYS   1   5.004  13.416  17.717
    4    HD2  LYS   1           2HD      LYS   1   3.004  12.460  19.810
    5    HE2  LYS   1           2HE      LYS   1   4.116  14.635  20.292
    6    HZ1  LYS   1           2HZ      LYS   1   6.289  14.228  19.313
    7    HZ2  LYS   1           3HZ      LYS   1   6.425  14.557  20.912
    8    HZ3  LYS   1           1HZ      LYS   1   6.588  13.012  20.387
    9    H    GLU   2           H        GLU   2  -0.043  12.314  15.540
   10    HA   GLU   2           HA       GLU   2   0.501  10.351  13.413
   11    HB2  GLU   2           2HB      GLU   2  -1.808  10.733  13.972
   12    HG2  GLU   2           2HG      GLU   2  -1.346  12.111  11.300
   13    H    SER   3           H        SER   3   2.715  11.220  13.160
   14    HA   SER   3           HA       SER   3   3.054  13.776  11.815
   15    HB2  SER   3           2HB      SER   3   4.916  11.408  11.762
   16    HG   SER   3           HG       SER   3   5.778  12.429  13.677
   17    H    ALA   4           H        ALA   4   0.938  12.411  10.569
   18    HA   ALA   4           HA       ALA   4   0.056  11.377   8.781
   19    HB1  ALA   4           3HB      ALA   4   0.804  12.304   6.618
   20    HB2  ALA   4           1HB      ALA   4   0.654  13.556   7.870
   21    HB3  ALA   4           2HB      ALA   4   2.259  12.973   7.393
   22    H    ALA   5           H        ALA   5   3.498  11.250   7.873
   23    HA   ALA   5           HA       ALA   5   3.544   8.959   6.316
   24    HB1  ALA   5           3HB      ALA   5   5.937   8.835   6.912
   25    HB2  ALA   5           1HB      ALA   5   5.427  10.491   6.550
   26    HB3  ALA   5           2HB      ALA   5   5.676   9.995   8.235
   27    H    ALA   6           H        ALA   6   4.257   9.120   9.819
   28    HA   ALA   6           HA       ALA   6   4.649   6.416  10.293
   29    HB1  ALA   6           3HB      ALA   6   4.058   6.920  12.643
   30    HB2  ALA   6           1HB      ALA   6   5.079   8.191  11.939
   31    HB3  ALA   6           2HB      ALA   6   3.332   8.461  12.138
   32    H    LYS   7           H        LYS   7   1.522   8.151  10.145
   33    HA   LYS   7           HA       LYS   7   0.003   5.864  11.147
   34    HB2  LYS   7           2HB      LYS   7  -0.669   8.073  11.700
   35    HG2  LYS   7           2HG      LYS   7  -2.522   6.334  10.635
   36    HD2  LYS   7           2HD      LYS   7  -2.636   9.024   9.148
   37    HE2  LYS   7           2HE      LYS   7  -4.964   8.250   8.444
   38    HZ1  LYS   7           3HZ      LYS   7  -6.013   9.211  10.410
   39    HZ2  LYS   7           1HZ      LYS   7  -4.596   9.089  11.268
   40    HZ3  LYS   7           2HZ      LYS   7  -4.634  10.047  10.029
   41    H    PHE   8           H        PHE   8   0.695   7.408   8.011
   42    HA   PHE   8           HA       PHE   8  -0.921   5.713   6.338
   43    HB2  PHE   8           2HB      PHE   8  -0.165   7.430   5.081
   44    HD1  PHE   8           HD1      PHE   8  -0.233   5.267   3.474
   45    HD2  PHE   8           HD2      PHE   8   3.379   6.882   5.190
   46    HE1  PHE   8           HE1      PHE   8   1.160   4.000   1.837
   47    HE2  PHE   8           HE2      PHE   8   4.714   5.658   3.552
   48    HZ   PHE   8           HZ       PHE   8   3.609   4.363   1.740
   49    H    GLU   9           H        GLU   9   2.579   5.492   7.098
   50    HA   GLU   9           HA       GLU   9   3.252   2.998   6.172
   51    HB2  GLU   9           2HB      GLU   9   4.027   4.575   8.657
   52    HG2  GLU   9           2HG      GLU   9   5.752   3.546   6.418
   53    H    ARG  10           H        ARG  10   2.024   3.689   9.478
   54    HA   ARG  10           HA       ARG  10   2.084   1.027  10.147
   55    HB2  ARG  10           2HB      ARG  10   0.525   3.355  11.304
   56    HG2  ARG  10           2HG      ARG  10   3.215   2.903  11.280
   57    HD2  ARG  10           2HD      ARG  10   2.532   0.686  12.650
   58    HE   ARG  10           HE       ARG  10   1.596   1.619  14.600
   59   HH11  ARG  10          1HH2      ARG  10   4.729   3.084  13.988
   60   HH12  ARG  10          2HH2      ARG  10   5.056   3.520  15.636
   61   HH21  ARG  10          1HH1      ARG  10   2.012   2.116  16.850
   62   HH22  ARG  10          2HH1      ARG  10   3.425   3.019  17.287
   63    H    GLN  11           H        GLN  11  -0.269   2.318   7.999
   64    HA   GLN  11           HA       GLN  11  -2.038  -0.056   8.488
   65    HB2  GLN  11           2HB      GLN  11  -3.868   1.152   7.649
   66    HG2  GLN  11           2HG      GLN  11  -2.018   3.527   7.226
   67   HE21  GLN  11          2HE2      GLN  11  -3.420   4.551   8.906
   68   HE22  GLN  11          1HE2      GLN  11  -4.976   5.193   8.366
   69    H    HIS  12           H        HIS  12   0.383   0.970   6.441
   70    HA   HIS  12           HA       HIS  12  -0.787  -0.540   4.105
   71    HB2  HIS  12           2HB      HIS  12  -1.205   1.926   3.953
   72    HD1  HIS  12           HD1      HIS  12  -2.346   1.240   1.759
   73    HD2  HIS  12           HD2      HIS  12   1.877   1.186   1.674
   74    HE1  HIS  12           HE1      HIS  12  -1.649   1.051  -0.726
   75    HE2  HIS  12           HE2      HIS  12   0.894   0.929  -0.751
   76    H    MET  13           H        MET  13   1.959   0.268   6.044
   77    HA   MET  13           HA       MET  13   3.720  -1.419   4.384
   78    HB2  MET  13           2HB      MET  13   4.417   0.978   4.756
   79    HG2  MET  13           2HG      MET  13   6.002  -0.923   4.365
   80    HE1  MET  13           3HE      MET  13   8.476  -2.880   6.379
   81    HE2  MET  13           1HE      MET  13   7.441  -2.906   4.931
   82    HE3  MET  13           2HE      MET  13   8.568  -1.562   5.179
   83    H    ASP  14           H        ASP  14   3.960  -3.432   5.197
   84    HA   ASP  14           HA       ASP  14   3.779  -3.946   8.096
   85    HB2  ASP  14           2HB      ASP  14   1.642  -4.556   7.181
   86    H    SER  15           H        SER  15   4.802  -6.220   8.360
   87    HA   SER  15           HA       SER  15   7.051  -6.738   6.484
   88    HB2  SER  15           2HB      SER  15   8.627  -6.888   8.429
   89    HG   SER  15           HG       SER  15   7.970  -5.719  10.304
   90    H    GLY  16           H        GLY  16   4.375  -7.965   7.889
   91    HA2  GLY  16           2HA      GLY  16   4.732 -10.307   9.059
   92    H    ASN  17           H        ASN  17   5.480  -9.851   5.607
   93    HA   ASN  17           HA       ASN  17   6.736 -11.032   4.109
   94    HB2  ASN  17           2HB      ASN  17   8.407 -10.110   5.636
   95   HD21  ASN  17          2HD2      ASN  17  10.557 -12.043   6.333
   96   HD22  ASN  17          1HD2      ASN  17  11.131 -12.653   4.789
   97    H    SER  18           H        SER  18   4.881 -12.581   3.856
   98    HA   SER  18           HA       SER  18   5.832 -15.361   4.379
   99    HB2  SER  18           2HB      SER  18   2.947 -14.548   4.007
  100    HG   SER  18           HG       SER  18   2.821 -14.790   6.263
  101    HA   PRO  19           HA       PRO  19   5.722 -15.028  -0.175
  102    HB2  PRO  19           2HB      PRO  19   6.915 -17.362  -0.855
  103    HG2  PRO  19           2HG      PRO  19   6.488 -18.494   1.248
  104    HD2  PRO  19           2HD      PRO  19   6.201 -17.287   3.218
  105    H    SER  20           H        SER  20   3.261 -15.257   0.720
  106    HA   SER  20           HA       SER  20   1.883 -17.194  -0.940
  107    HB2  SER  20           2HB      SER  20   0.847 -18.413   1.035
  108    HG   SER  20           HG       SER  20   2.292 -18.411   2.920
  109    H    SER  21           H        SER  21   1.039 -16.145   2.265
  110    HA   SER  21           HA       SER  21  -0.501 -14.880   3.186
  111    HB2  SER  21           2HB      SER  21  -1.009 -12.762   2.408
  112    HG   SER  21           HG       SER  21  -0.688 -13.784  -0.206
  113    H    SER  22           H        SER  22  -2.854 -14.085   3.029
  114    HA   SER  22           HA       SER  22  -4.578 -14.988   1.039
  115    HB2  SER  22           2HB      SER  22  -4.224 -17.266   2.009
  116    HG   SER  22           HG       SER  22  -6.484 -17.570   2.574
  117    H    SER  23           H        SER  23  -6.923 -14.932   2.356
  118    HA   SER  23           HA       SER  23  -7.395 -12.172   2.828
  119    HB2  SER  23           2HB      SER  23  -9.616 -13.159   3.729
  120    HG   SER  23           HG       SER  23  -9.820 -15.388   3.207
  121    H    ASN  24           H        ASN  24  -6.487 -14.780   5.005
  122    HA   ASN  24           HA       ASN  24  -7.109 -13.913   7.491
  123    HB2  ASN  24           2HB      ASN  24  -4.345 -14.843   6.644
  124   HD21  ASN  24          2HD2      ASN  24  -5.919 -16.884   8.874
  125   HD22  ASN  24          1HD2      ASN  24  -6.481 -18.068   7.711
  126    H    TYR  25           H        TYR  25  -4.122 -12.729   5.823
  127    HA   TYR  25           HA       TYR  25  -3.474 -11.004   8.006
  128    HB2  TYR  25           2HB      TYR  25  -2.705 -10.637   5.091
  129    HD1  TYR  25           HD2      TYR  25  -2.180 -12.857   8.042
  130    HD2  TYR  25           HD1      TYR  25  -0.542 -11.417   4.324
  131    HE1  TYR  25           HE2      TYR  25  -0.689 -14.804   7.953
  132    HE2  TYR  25           HE1      TYR  25   1.059 -13.291   4.304
  133    HH   TYR  25           HH       TYR  25   0.844 -15.966   6.706
  134    H    CYS  26           H        CYS  26  -5.463 -10.535   5.164
  135    HA   CYS  26           HA       CYS  26  -5.554  -7.647   5.078
  136    HB2  CYS  26           2HB      CYS  26  -7.223  -9.924   4.042
  137    H    ASN  27           H        ASN  27  -7.824 -10.083   6.345
  138    HA   ASN  27           HA       ASN  27  -9.446  -8.113   7.630
  139    HB2  ASN  27           2HB      ASN  27  -9.301 -11.145   8.044
  140   HD21  ASN  27          2HD2      ASN  27  -9.306 -11.426   5.652
  141   HD22  ASN  27          1HD2      ASN  27 -10.776 -11.066   4.756
  142    H    LEU  28           H        LEU  28  -6.958 -10.372   8.848
  143    HA   LEU  28           HA       LEU  28  -7.244  -9.906  11.574
  144    HB2  LEU  28           2HB      LEU  28  -5.858 -11.669  10.463
  145    HG   LEU  28           HG       LEU  28  -4.080 -11.913  11.942
  146   HD11  LEU  28          1HD1      LEU  28  -3.110  -9.607  11.776
  147   HD12  LEU  28          2HD1      LEU  28  -4.320  -9.063  12.960
  148   HD13  LEU  28          3HD1      LEU  28  -3.142 -10.294  13.409
  149   HD21  LEU  28          3HD2      LEU  28  -5.148 -11.781  14.099
  150   HD22  LEU  28          1HD2      LEU  28  -6.269 -10.529  13.545
  151   HD23  LEU  28          2HD2      LEU  28  -6.376 -12.179  12.884
  152    H    MET  29           H        MET  29  -4.873  -8.315   9.312
  153    HA   MET  29           HA       MET  29  -4.034  -6.545  11.401
  154    HB2  MET  29           2HB      MET  29  -2.592  -7.245   9.547
  155    HG2  MET  29           2HG      MET  29  -2.914  -4.227   9.643
  156    HE1  MET  29           3HE      MET  29   0.805  -3.216   9.269
  157    HE2  MET  29           1HE      MET  29  -0.880  -2.653   9.305
  158    HE3  MET  29           2HE      MET  29  -0.158  -3.404  10.753
  159    H    MET  30           H        MET  30  -6.469  -6.176   8.747
  160    HA   MET  30           HA       MET  30  -7.072  -3.437   9.227
  161    HB2  MET  30           2HB      MET  30  -8.787  -5.791   8.358
  162    HG2  MET  30           2HG      MET  30  -6.991  -4.676   6.847
  163    HE1  MET  30           3HE      MET  30  -7.362  -1.514   4.565
  164    HE2  MET  30           1HE      MET  30  -6.331  -2.899   4.985
  165    HE3  MET  30           2HE      MET  30  -7.935  -3.172   4.261
  166    H    CYS  31           H        CYS  31  -8.310  -6.388  10.855
  167    HA   CYS  31           HA       CYS  31 -10.079  -5.042  12.631
  168    HB2  CYS  31           2HB      CYS  31 -10.302  -7.427  12.142
  169    HG   CYS  31           HG       CYS  31 -10.572  -8.513  14.523
  170    H    CYS  32           H        CYS  32  -6.773  -6.355  13.207
  171    HA   CYS  32           HA       CYS  32  -6.562  -5.470  15.898
  172    HB2  CYS  32           2HB      CYS  32  -4.493  -6.204  13.793
  173    HG   CYS  32           HG       CYS  32  -3.868  -8.222  15.344
  174    H    ARG  33           H        ARG  33  -5.593  -3.862  12.831
  175    HA   ARG  33           HA       ARG  33  -4.646  -1.511  14.187
  176    HB2  ARG  33           2HB      ARG  33  -4.067  -2.256  11.787
  177    HG2  ARG  33           2HG      ARG  33  -4.443   0.086  10.740
  178    HD2  ARG  33           2HD      ARG  33  -2.304  -0.607  11.482
  179    HE   ARG  33           HE       ARG  33  -1.984  -1.225  13.599
  180   HH11  ARG  33          1HH2      ARG  33  -3.868   1.735  13.691
  181   HH12  ARG  33          2HH2      ARG  33  -3.959   1.841  15.421
  182   HH21  ARG  33          1HH1      ARG  33  -2.086  -1.158  15.905
  183   HH22  ARG  33          2HH1      ARG  33  -2.876   0.154  16.710
  184    H    LYS  34           H        LYS  34  -7.700  -2.690  13.070
  185    HA   LYS  34           HA       LYS  34  -9.752  -2.203  13.294
  186    HB2  LYS  34           2HB      LYS  34  -8.839  -1.509  15.750
  187    HG2  LYS  34           2HG      LYS  34 -10.828  -2.779  15.328
  188    HD2  LYS  34           2HD      LYS  34 -12.118  -0.130  14.528
  189    HE2  LYS  34           2HE      LYS  34 -14.076  -1.634  13.912
  190    HZ1  LYS  34           3HZ      LYS  34 -14.915  -1.807  16.123
  191    HZ2  LYS  34           1HZ      LYS  34 -13.417  -1.587  16.778
  192    HZ3  LYS  34           2HZ      LYS  34 -14.129  -0.375  15.910
  193    H    MET  35           H        MET  35  -8.729  -1.439  11.190
  194    HA   MET  35           HA       MET  35  -9.177   1.336  10.464
  195    HB2  MET  35           2HB      MET  35  -8.899  -1.276   8.943
  196    HG2  MET  35           2HG      MET  35  -6.919   0.262  10.058
  197    HE1  MET  35           3HE      MET  35  -7.326   3.808   8.287
  198    HE2  MET  35           1HE      MET  35  -8.685   2.724   8.645
  199    HE3  MET  35           2HE      MET  35  -7.376   2.944   9.842
  200    H    THR  36           H        THR  36 -11.223  -1.547  10.729
  201    HA   THR  36           HA       THR  36 -13.279  -0.616   8.973
  202    HB   THR  36           HB       THR  36 -14.375  -2.727  10.011
  203    HG1  THR  36           HG1      THR  36 -12.818  -3.991  11.152
  204   HG21  THR  36          1HG2      THR  36 -13.194  -2.737   7.848
  205   HG22  THR  36          2HG2      THR  36 -11.636  -2.926   8.676
  206   HG23  THR  36          3HG2      THR  36 -12.854  -4.214   8.760
  207    H    GLN  37           H        GLN  37 -13.007   1.478  10.581
  208    HA   GLN  37           HA       GLN  37 -15.224   1.495  12.585
  209    HB2  GLN  37           2HB      GLN  37 -13.121   3.507  11.723
  210    HG2  GLN  37           2HG      GLN  37 -12.474   1.787  13.437
  211   HE21  GLN  37          2HE2      GLN  37 -14.570   4.301  15.022
  212   HE22  GLN  37          1HE2      GLN  37 -15.297   3.196  16.166
  213    H    GLY  38           H        GLY  38 -17.229   1.686  11.627
  214    HA2  GLY  38           2HA      GLY  38 -18.922   2.923  10.690
  215    H    LYS  39           H        LYS  39 -16.110   2.315   8.589
  216    HA   LYS  39           HA       LYS  39 -17.845   1.156   6.529
  217    HB2  LYS  39           2HB      LYS  39 -16.730   2.348   4.737
  218    HG2  LYS  39           2HG      LYS  39 -15.163   3.666   6.986
  219    HD2  LYS  39           2HD      LYS  39 -16.046   5.563   5.752
  220    HE2  LYS  39           2HE      LYS  39 -15.129   5.863   3.356
  221    HZ1  LYS  39           3HZ      LYS  39 -16.984   4.810   2.327
  222    HZ2  LYS  39           1HZ      LYS  39 -17.287   3.891   3.651
  223    HZ3  LYS  39           2HZ      LYS  39 -17.467   5.522   3.728
  224    H    CYS  40           H        CYS  40 -16.050   0.279   4.797
  225    HA   CYS  40           HA       CYS  40 -13.712  -0.866   6.214
  226    HB2  CYS  40           2HB      CYS  40 -15.243  -2.637   6.263
  227    H    LYS  41           H        LYS  41 -12.038  -1.562   4.458
  228    HA   LYS  41           HA       LYS  41 -11.825   0.871   2.813
  229    HB2  LYS  41           2HB      LYS  41 -10.158  -0.396   4.638
  230    HG2  LYS  41           2HG      LYS  41 -10.073   2.024   3.911
  231    HD2  LYS  41           2HD      LYS  41  -8.544   0.648   1.664
  232    HE2  LYS  41           2HE      LYS  41  -8.428   3.631   2.410
  233    HZ1  LYS  41           3HZ      LYS  41  -6.833   3.656   0.572
  234    HZ2  LYS  41           1HZ      LYS  41  -7.272   2.114   0.165
  235    HZ3  LYS  41           2HZ      LYS  41  -8.369   3.336   0.061
  236    HA   PRO  42           HA       PRO  42 -12.882  -1.976  -0.557
  237    HB2  PRO  42           2HB      PRO  42 -12.583  -0.263  -2.704
  238    HG2  PRO  42           2HG      PRO  42 -11.725   1.593  -1.447
  239    HD2  PRO  42           2HD      PRO  42 -11.986   1.699   0.886
  240    H    VAL  43           H        VAL  43  -9.913  -0.014  -0.566
  241    HA   VAL  43           HA       VAL  43  -8.390  -2.259  -1.733
  242    HB   VAL  43           HB       VAL  43  -7.281  -0.549  -3.308
  243   HG11  VAL  43          1HG1      VAL  43  -8.565  -2.458  -4.109
  244   HG12  VAL  43          2HG1      VAL  43 -10.078  -1.517  -3.996
  245   HG13  VAL  43          3HG1      VAL  43  -8.808  -1.037  -5.135
  246   HG21  VAL  43          3HG2      VAL  43  -8.675   1.233  -4.208
  247   HG22  VAL  43          1HG2      VAL  43  -9.990   0.845  -3.091
  248   HG23  VAL  43          2HG2      VAL  43  -8.460   1.513  -2.477
  249    H    ASN  44           H        ASN  44  -6.505  -2.480  -0.574
  250    HA   ASN  44           HA       ASN  44  -5.000  -0.062   0.169
  251    HB2  ASN  44           2HB      ASN  44  -6.486  -0.453   2.165
  252   HD21  ASN  44          2HD2      ASN  44  -4.390  -2.148   4.003
  253   HD22  ASN  44          1HD2      ASN  44  -3.268  -0.876   4.397
  254    H    THR  45           H        THR  45  -3.020  -0.636  -0.789
  255    HA   THR  45           HA       THR  45  -2.254  -3.363  -0.786
  256    HB   THR  45           HB       THR  45  -0.381  -1.100  -1.409
  257    HG1  THR  45           HG1      THR  45  -2.390  -2.086  -3.153
  258   HG21  THR  45          1HG2      THR  45   0.382  -3.463  -1.557
  259   HG22  THR  45          2HG2      THR  45  -0.841  -3.776  -2.788
  260   HG23  THR  45          3HG2      THR  45   0.438  -2.608  -3.116
  261    H    PHE  46           H        PHE  46  -1.037  -4.541   0.736
  262    HA   PHE  46           HA       PHE  46   0.205  -3.013   2.989
  263    HB2  PHE  46           2HB      PHE  46  -0.642  -5.901   2.734
  264    HD1  PHE  46           HD1      PHE  46  -2.915  -4.474   2.365
  265    HD2  PHE  46           HD2      PHE  46  -0.677  -4.574   6.028
  266    HE1  PHE  46           HE1      PHE  46  -5.048  -4.580   3.671
  267    HE2  PHE  46           HE2      PHE  46  -2.789  -4.417   7.301
  268    HZ   PHE  46           HZ       PHE  46  -4.955  -4.799   6.148
  269    H    VAL  47           H        VAL  47   2.313  -2.546   2.457
  270    HA   VAL  47           HA       VAL  47   3.940  -4.251   0.727
  271    HB   VAL  47           HB       VAL  47   4.853  -2.143   2.714
  272   HG11  VAL  47          1HG1      VAL  47   6.700  -3.530   1.971
  273   HG12  VAL  47          2HG1      VAL  47   6.239  -3.296   0.273
  274   HG13  VAL  47          3HG1      VAL  47   6.814  -1.930   1.252
  275   HG21  VAL  47          3HG2      VAL  47   4.907  -0.560   0.810
  276   HG22  VAL  47          1HG2      VAL  47   4.097  -1.757  -0.213
  277   HG23  VAL  47          2HG2      VAL  47   3.261  -1.069   1.188
  278    H    HIS  48           H        HIS  48   5.624  -5.693   1.364
  279    HA   HIS  48           HA       HIS  48   5.757  -6.515   4.226
  280    HB2  HIS  48           2HB      HIS  48   5.253  -8.214   1.759
  281    HD1  HIS  48           HD1      HIS  48   3.371 -10.197   2.433
  282    HD2  HIS  48           HD2      HIS  48   3.866  -6.973   5.109
  283    HE1  HIS  48           HE1      HIS  48   1.441 -10.310   4.134
  284    HE2  HIS  48           HE2      HIS  48   1.770  -8.281   5.732
  285    H    GLU  49           H        GLU  49   7.555  -5.032   4.176
  286    HA   GLU  49           HA       GLU  49   9.959  -6.500   3.450
  287    HB2  GLU  49           2HB      GLU  49   9.080  -5.108   1.357
  288    HG2  GLU  49           2HG      GLU  49  11.496  -4.597   0.741
  289    H    SER  50           H        SER  50  11.366  -3.756   3.604
  290    HA   SER  50           HA       SER  50  11.513  -3.722   6.573
  291    HB2  SER  50           2HB      SER  50  13.415  -2.905   4.366
  292    HG   SER  50           HG       SER  50  14.469  -4.799   5.007
  293    H    LEU  51           H        LEU  51  10.576  -2.037   7.609
  294    HA   LEU  51           HA       LEU  51   9.372   0.164   6.422
  295    HB2  LEU  51           2HB      LEU  51   8.918  -0.686   8.662
  296    HG   LEU  51           HG       LEU  51   8.562   1.877   7.860
  297   HD11  LEU  51          1HD1      LEU  51   7.015   0.577   9.234
  298   HD12  LEU  51          2HD1      LEU  51   8.045   0.823  10.669
  299   HD13  LEU  51          3HD1      LEU  51   7.226   2.204   9.895
  300   HD21  LEU  51          3HD2      LEU  51   9.336   3.410   9.642
  301   HD22  LEU  51          1HD2      LEU  51  10.256   2.097  10.402
  302   HD23  LEU  51          2HD2      LEU  51  10.718   2.717   8.797
  303    H    ALA  52           H        ALA  52  12.666   0.073   7.852
  304    HA   ALA  52           HA       ALA  52  13.322   2.786   7.394
  305    HB1  ALA  52           3HB      ALA  52  15.653   2.032   7.540
  306    HB2  ALA  52           1HB      ALA  52  14.667   1.292   8.802
  307    HB3  ALA  52           2HB      ALA  52  15.132   0.337   7.369
  308    H    ASP  53           H        ASP  53  13.215   0.025   5.149
  309    HA   ASP  53           HA       ASP  53  14.877   1.318   3.117
  310    HB2  ASP  53           2HB      ASP  53  14.538  -1.214   3.545
  311    H    VAL  54           H        VAL  54  11.412   0.539   3.651
  312    HA   VAL  54           HA       VAL  54  10.274   2.039   1.528
  313    HB   VAL  54           HB       VAL  54   9.179   1.536   4.317
  314   HG11  VAL  54          1HG1      VAL  54   8.012   3.420   3.348
  315   HG12  VAL  54          2HG1      VAL  54   7.946   2.634   1.753
  316   HG13  VAL  54          3HG1      VAL  54   6.985   2.002   3.111
  317   HG21  VAL  54          3HG2      VAL  54   7.899  -0.233   3.097
  318   HG22  VAL  54          1HG2      VAL  54   8.785   0.153   1.616
  319   HG23  VAL  54          2HG2      VAL  54   9.637  -0.539   3.008
  320    H    LYS  55           H        LYS  55  11.232   3.234   4.773
  321    HA   LYS  55           HA       LYS  55  10.511   5.921   4.411
  322    HB2  LYS  55           2HB      LYS  55  11.480   4.696   6.474
  323    HG2  LYS  55           2HG      LYS  55  13.105   6.954   6.786
  324    HD2  LYS  55           2HD      LYS  55  11.346   6.015   8.318
  325    HE2  LYS  55           2HE      LYS  55   9.475   7.905   6.830
  326    HZ1  LYS  55           3HZ      LYS  55   7.816   6.970   8.112
  327    HZ2  LYS  55           1HZ      LYS  55   8.612   5.688   8.531
  328    HZ3  LYS  55           2HZ      LYS  55   9.020   7.152   9.238
  329    H    ALA  56           H        ALA  56  13.558   4.257   3.492
  330    HA   ALA  56           HA       ALA  56  14.724   6.538   2.223
  331    HB1  ALA  56           3HB      ALA  56  16.358   4.944   1.344
  332    HB2  ALA  56           1HB      ALA  56  16.057   4.689   3.073
  333    HB3  ALA  56           2HB      ALA  56  15.353   3.581   1.880
  334    H    VAL  57           H        VAL  57  12.540   4.011   0.936
  335    HA   VAL  57           HA       VAL  57  13.017   4.169  -1.778
  336    HB   VAL  57           HB       VAL  57  10.420   3.713  -0.298
  337   HG11  VAL  57          1HG1      VAL  57   9.720   4.587  -2.416
  338   HG12  VAL  57          2HG1      VAL  57  10.918   3.631  -3.279
  339   HG13  VAL  57          3HG1      VAL  57   9.542   2.834  -2.473
  340   HG21  VAL  57          3HG2      VAL  57  10.797   1.401  -0.896
  341   HG22  VAL  57          1HG2      VAL  57  12.125   1.822  -1.973
  342   HG23  VAL  57          2HG2      VAL  57  12.326   1.979  -0.233
  343    H    CYS  58           H        CYS  58  11.007   6.476   0.061
  344    HA   CYS  58           HA       CYS  58  10.111   8.303  -1.722
  345    HB2  CYS  58           2HB      CYS  58  10.084   8.752   0.663
  346    H    SER  59           H        SER  59  13.553   8.015  -0.780
  347    HA   SER  59           HA       SER  59  14.355   9.963  -2.882
  348    HB2  SER  59           2HB      SER  59  15.849   8.960  -0.477
  349    HG   SER  59           HG       SER  59  15.180  10.939   0.462
  350    H    GLN  60           H        GLN  60  13.832   6.839  -3.139
  351    HA   GLN  60           HA       GLN  60  16.540   5.931  -3.910
  352    HB2  GLN  60           2HB      GLN  60  13.856   4.558  -3.740
  353    HG2  GLN  60           2HG      GLN  60  16.676   3.945  -2.674
  354   HE21  GLN  60          2HE2      GLN  60  15.729   3.098  -0.123
  355   HE22  GLN  60          1HE2      GLN  60  14.953   1.547  -0.296
  356    H    LYS  61           H        LYS  61  13.409   5.789  -5.783
  357    HA   LYS  61           HA       LYS  61  14.806   7.271  -7.965
  358    HB2  LYS  61           2HB      LYS  61  13.475   4.582  -8.051
  359    HG2  LYS  61           2HG      LYS  61  16.106   5.133  -8.123
  360    HD2  LYS  61           2HD      LYS  61  16.908   5.042 -10.436
  361    HE2  LYS  61           2HE      LYS  61  15.024   7.443 -10.188
  362    HZ1  LYS  61           3HZ      LYS  61  16.676   8.534 -11.475
  363    HZ2  LYS  61           1HZ      LYS  61  17.576   7.165 -11.612
  364    HZ3  LYS  61           2HZ      LYS  61  16.082   7.249 -12.309
  365    H    LYS  62           H        LYS  62  13.687   9.193  -7.892
  366    HA   LYS  62           HA       LYS  62  10.821   9.342  -7.636
  367    HB2  LYS  62           2HB      LYS  62  12.255  11.287  -7.325
  368    HG2  LYS  62           2HG      LYS  62   9.847  11.429  -8.364
  369    HD2  LYS  62           2HD      LYS  62  11.692  12.664 -10.487
  370    HE2  LYS  62           2HE      LYS  62   9.796  14.157 -10.068
  371    HZ1  LYS  62           3HZ      LYS  62   7.569  13.332 -10.605
  372    HZ2  LYS  62           1HZ      LYS  62   8.114  11.776 -10.594
  373    HZ3  LYS  62           2HZ      LYS  62   8.164  12.663  -9.229
  374    H    VAL  63           H        VAL  63   9.247   9.013  -9.194
  375    HA   VAL  63           HA       VAL  63  10.017   8.694 -12.041
  376    HB   VAL  63           HB       VAL  63   8.565   6.775 -12.295
  377   HG11  VAL  63          1HG1      VAL  63  10.994   6.475 -11.771
  378   HG12  VAL  63          2HG1      VAL  63  10.564   6.243 -10.068
  379   HG13  VAL  63          3HG1      VAL  63   9.983   5.098 -11.292
  380   HG21  VAL  63          3HG2      VAL  63   7.673   5.488 -10.399
  381   HG22  VAL  63          1HG2      VAL  63   8.204   6.736  -9.259
  382   HG23  VAL  63          2HG2      VAL  63   6.945   7.089 -10.464
  383    H    THR  64           H        THR  64   7.978   8.826 -13.415
  384    HA   THR  64           HA       THR  64   6.295  11.036 -12.364
  385    HB   THR  64           HB       THR  64   6.485   9.848 -15.146
  386    HG1  THR  64           HG1      THR  64   7.814  11.666 -15.510
  387   HG21  THR  64          1HG2      THR  64   4.383  11.149 -14.712
  388   HG22  THR  64          2HG2      THR  64   5.349  12.505 -14.100
  389   HG23  THR  64          3HG2      THR  64   5.452  12.030 -15.805
  390    H    CYS  65           H        CYS  65   4.227  10.608 -11.698
  391    HA   CYS  65           HA       CYS  65   3.221   7.929 -11.481
  392    HB2  CYS  65           2HB      CYS  65   1.728  10.584 -11.370
  393    H    LYS  66           H        LYS  66   1.056   7.292 -12.519
  394    HA   LYS  66           HA       LYS  66   1.277   7.580 -15.418
  395    HB2  LYS  66           2HB      LYS  66   0.715   5.465 -14.146
  396    HG2  LYS  66           2HG      LYS  66  -0.982   6.493 -16.434
  397    HD2  LYS  66           2HD      LYS  66  -2.478   5.051 -15.215
  398    HE2  LYS  66           2HE      LYS  66  -0.264   2.938 -15.433
  399    HZ1  LYS  66           3HZ      LYS  66  -1.813   1.575 -14.227
  400    HZ2  LYS  66           1HZ      LYS  66  -2.964   2.746 -14.266
  401    HZ3  LYS  66           2HZ      LYS  66  -2.480   2.020 -15.665
  402    H    ASP  67           H        ASP  67   1.020  10.000 -14.852
  403    HA   ASP  67           HA       ASP  67  -1.170  11.356 -15.808
  404    HB2  ASP  67           2HB      ASP  67  -2.777  10.726 -14.303
  405    H    GLY  68           H        GLY  68   0.114  11.977 -12.575
  406    HA2  GLY  68           2HA      GLY  68   2.561  12.611 -12.349
  407    H    GLN  69           H        GLN  69  -0.450  13.577 -11.579
  408    HA   GLN  69           HA       GLN  69  -0.082  16.290 -10.688
  409    HB2  GLN  69           2HB      GLN  69  -2.291  15.233 -11.083
  410    HG2  GLN  69           2HG      GLN  69  -1.833  16.052  -8.174
  411   HE21  GLN  69          2HE2      GLN  69  -4.133  17.901  -8.456
  412   HE22  GLN  69          1HE2      GLN  69  -5.540  16.861  -8.324
  413    H    THR  70           H        THR  70  -0.220  13.156  -8.862
  414    HA   THR  70           HA       THR  70   1.211  14.240  -6.571
  415    HB   THR  70           HB       THR  70   1.263  11.644  -6.093
  416    HG1  THR  70           HG1      THR  70   0.628  10.869  -8.120
  417   HG21  THR  70          1HG2      THR  70  -0.192  13.252  -4.941
  418   HG22  THR  70          2HG2      THR  70  -1.330  13.220  -6.309
  419   HG23  THR  70          3HG2      THR  70  -1.072  11.760  -5.332
  420    H    ASN  71           H        ASN  71   3.325  13.410  -5.936
  421    HA   ASN  71           HA       ASN  71   5.173  13.024  -8.249
  422    HB2  ASN  71           2HB      ASN  71   5.501  14.916  -6.621
  423   HD21  ASN  71          2HD2      ASN  71   7.743  15.656  -6.164
  424   HD22  ASN  71          1HD2      ASN  71   9.050  14.886  -7.024
  425    H    CYS  72           H        CYS  72   5.868  10.904  -8.560
  426    HA   CYS  72           HA       CYS  72   5.176   8.900  -6.457
  427    HB2  CYS  72           2HB      CYS  72   5.483   8.662  -9.468
  428    H    TYR  73           H        TYR  73   6.719   7.667  -5.574
  429    HA   TYR  73           HA       TYR  73   9.509   7.863  -6.549
  430    HB2  TYR  73           2HB      TYR  73   8.515   7.588  -3.702
  431    HD1  TYR  73           HD1      TYR  73  10.733  10.088  -5.370
  432    HD2  TYR  73           HD2      TYR  73   6.841   9.357  -3.751
  433    HE1  TYR  73           HE1      TYR  73  10.179  12.505  -5.500
  434    HE2  TYR  73           HE2      TYR  73   6.388  11.839  -3.804
  435    HH   TYR  73           HH       TYR  73   7.619  13.728  -3.235
  436    H    GLN  74           H        GLN  74  10.071   6.032  -7.441
  437    HA   GLN  74           HA       GLN  74   8.846   3.449  -6.880
  438    HB2  GLN  74           2HB      GLN  74   9.399   4.319  -9.165
  439    HG2  GLN  74           2HG      GLN  74  10.553   1.712  -8.259
  440   HE21  GLN  74          2HE2      GLN  74  12.733   1.650  -8.907
  441   HE22  GLN  74          1HE2      GLN  74  13.202   1.768 -10.603
  442    H    SER  75           H        SER  75   9.733   1.863  -5.724
  443    HA   SER  75           HA       SER  75  12.145   2.052  -4.187
  444    HB2  SER  75           2HB      SER  75  10.512   0.368  -3.641
  445    HG   SER  75           HG       SER  75  12.111  -1.532  -4.589
  446    H    LYS  76           H        LYS  76  14.208   1.297  -4.489
  447    HA   LYS  76           HA       LYS  76  15.580   1.510  -6.930
  448    HB2  LYS  76           2HB      LYS  76  17.350   0.287  -5.795
  449    HG2  LYS  76           2HG      LYS  76  15.150  -0.483  -3.857
  450    HD2  LYS  76           2HD      LYS  76  18.124  -0.401  -3.197
  451    HE2  LYS  76           2HE      LYS  76  15.576  -1.531  -1.950
  452    HZ1  LYS  76           3HZ      LYS  76  16.581  -1.702   0.141
  453    HZ2  LYS  76           1HZ      LYS  76  17.869  -0.725  -0.311
  454    HZ3  LYS  76           2HZ      LYS  76  16.288  -0.215  -0.205
  455    H    SER  77           H        SER  77  14.127  -1.343  -5.402
  456    HA   SER  77           HA       SER  77  14.530  -3.029  -7.834
  457    HB2  SER  77           2HB      SER  77  15.053  -4.838  -6.118
  458    HG   SER  77           HG       SER  77  15.370  -4.216  -4.026
  459    H    THR  78           H        THR  78  13.170  -5.260  -7.188
  460    HA   THR  78           HA       THR  78  10.442  -4.433  -6.723
  461    HB   THR  78           HB       THR  78  10.148  -6.986  -6.801
  462    HG1  THR  78           HG1      THR  78  11.947  -8.127  -7.454
  463   HG21  THR  78          1HG2      THR  78   9.920  -5.357  -8.783
  464   HG22  THR  78          2HG2      THR  78  11.601  -5.709  -9.184
  465   HG23  THR  78          3HG2      THR  78  10.391  -7.006  -9.234
  466    H    MET  79           H        MET  79   9.234  -4.869  -4.849
  467    HA   MET  79           HA       MET  79  10.606  -6.014  -2.492
  468    HB2  MET  79           2HB      MET  79   8.796  -3.560  -2.607
  469    HG2  MET  79           2HG      MET  79  11.593  -4.045  -1.525
  470    HE1  MET  79           3HE      MET  79  12.425  -0.573  -0.016
  471    HE2  MET  79           1HE      MET  79  12.992  -2.244  -0.247
  472    HE3  MET  79           2HE      MET  79  12.782  -1.169  -1.651
  473    H    ARG  80           H        ARG  80   9.033  -7.012  -1.085
  474    HA   ARG  80           HA       ARG  80   7.010  -8.512  -2.546
  475    HB2  ARG  80           2HB      ARG  80   8.192  -8.530   0.206
  476    HG2  ARG  80           2HG      ARG  80   8.480 -10.871  -0.227
  477    HD2  ARG  80           2HD      ARG  80   9.742 -10.981  -2.321
  478    HE   ARG  80           HE       ARG  80  10.280  -8.628  -0.538
  479   HH11  ARG  80          1HH2      ARG  80  11.324 -10.256  -3.473
  480   HH12  ARG  80          2HH2      ARG  80  13.013  -9.919  -3.252
  481   HH21  ARG  80          1HH1      ARG  80  12.495  -8.331  -0.099
  482   HH22  ARG  80          2HH1      ARG  80  13.703  -8.725  -1.304
  483    H    ILE  81           H        ILE  81   4.841  -7.956  -2.670
  484    HA   ILE  81           HA       ILE  81   3.756  -6.149  -0.612
  485    HB   ILE  81           HB       ILE  81   2.497  -5.642  -3.209
  486   HG12  ILE  81          2HG1      ILE  81   4.291  -3.965  -3.860
  487   HG21  ILE  81          1HG2      ILE  81   2.294  -4.385  -1.002
  488   HG22  ILE  81          2HG2      ILE  81   3.913  -3.723  -1.358
  489   HG23  ILE  81          3HG2      ILE  81   2.568  -3.381  -2.445
  490   HD11  ILE  81          3HD1      ILE  81   5.460  -5.305  -5.351
  491   HD12  ILE  81          1HD1      ILE  81   4.868  -6.792  -4.588
  492   HD13  ILE  81          2HD1      ILE  81   3.728  -5.668  -5.373
  493    H    THR  82           H        THR  82   1.749  -6.559  -0.022
  494    HA   THR  82           HA       THR  82   0.263  -8.807  -1.299
  495    HB   THR  82           HB       THR  82  -0.683  -8.895   1.197
  496    HG1  THR  82           HG1      THR  82   0.979  -7.131   1.695
  497   HG21  THR  82          1HG2      THR  82   0.346 -10.768   0.028
  498   HG22  THR  82          2HG2      THR  82   1.971 -10.103   0.326
  499   HG23  THR  82          3HG2      THR  82   0.959 -10.668   1.682
  500    H    ASP  83           H        ASP  83  -1.137  -7.623  -2.606
  501    HA   ASP  83           HA       ASP  83  -2.239  -5.174  -1.578
  502    HB2  ASP  83           2HB      ASP  83  -2.002  -5.710  -4.067
  503    H    CYS  84           H        CYS  84  -4.776  -4.976  -1.477
  504    HA   CYS  84           HA       CYS  84  -6.029  -7.223  -0.113
  505    HB2  CYS  84           2HB      CYS  84  -4.744  -5.936   1.730
  506    H    ARG  85           H        ARG  85  -8.035  -7.203  -1.075
  507    HA   ARG  85           HA       ARG  85  -9.252  -4.538  -1.696
  508    HB2  ARG  85           2HB      ARG  85  -8.088  -5.571  -3.675
  509    HG2  ARG  85           2HG      ARG  85 -11.105  -5.551  -4.098
  510    HD2  ARG  85           2HD      ARG  85 -10.457  -4.343  -6.157
  511    HE   ARG  85           HE       ARG  85 -10.020  -7.100  -5.731
  512   HH11  ARG  85          1HH2      ARG  85  -9.076  -4.583  -7.998
  513   HH12  ARG  85          2HH2      ARG  85  -8.955  -5.621  -9.386
  514   HH21  ARG  85          1HH1      ARG  85  -9.873  -8.542  -7.553
  515   HH22  ARG  85          2HH1      ARG  85  -9.417  -7.939  -9.114
  516    H    GLU  86           H        GLU  86 -11.538  -4.471  -1.614
  517    HA   GLU  86           HA       GLU  86 -12.851  -6.691  -0.187
  518    HB2  GLU  86           2HB      GLU  86 -13.956  -4.132  -1.418
  519    HG2  GLU  86           2HG      GLU  86 -13.798  -5.092   1.483
  520    H    THR  87           H        THR  87 -13.733  -8.361  -1.157
  521    HA   THR  87           HA       THR  87 -14.486  -8.354  -4.032
  522    HB   THR  87           HB       THR  87 -13.441 -10.560  -4.246
  523    HG1  THR  87           HG1      THR  87 -12.869 -10.160  -1.490
  524   HG21  THR  87          1HG2      THR  87 -12.094  -8.489  -4.677
  525   HG22  THR  87          2HG2      THR  87 -11.395  -8.658  -3.055
  526   HG23  THR  87          3HG2      THR  87 -11.139  -9.929  -4.264
  527    H    GLY  88           H        GLY  88 -15.189 -11.240  -3.561
  528    HA2  GLY  88           2HA      GLY  88 -17.126 -12.374  -3.097
  529    H    SER  89           H        SER  89 -18.059  -9.795  -3.749
  530    HA   SER  89           HA       SER  89 -19.740  -8.283  -3.447
  531    HB2  SER  89           2HB      SER  89 -21.119 -10.727  -2.264
  532    HG   SER  89           HG       SER  89 -21.692 -11.072  -4.456
  533    H    SER  90           H        SER  90 -18.178  -7.313  -1.681
  534    HA   SER  90           HA       SER  90 -18.480  -7.788   0.994
  535    HB2  SER  90           2HB      SER  90 -17.737  -5.289   1.200
  536    HG   SER  90           HG       SER  90 -17.010  -4.369  -0.538
  537    H    LYS  91           H        LYS  91 -19.806  -7.310   2.623
  538    HA   LYS  91           HA       LYS  91 -22.198  -5.561   2.209
  539    HB2  LYS  91           2HB      LYS  91 -21.898  -8.419   3.208
  540    HG2  LYS  91           2HG      LYS  91 -22.457  -8.018   0.797
  541    HD2  LYS  91           2HD      LYS  91 -23.895  -6.088   0.831
  542    HE2  LYS  91           2HE      LYS  91 -25.080  -6.249   2.955
  543    HZ1  LYS  91           3HZ      LYS  91 -26.783  -7.909   3.255
  544    HZ2  LYS  91           1HZ      LYS  91 -26.390  -8.647   1.839
  545    HZ3  LYS  91           2HZ      LYS  91 -25.316  -8.632   3.088
  546    H    TYR  92           H        TYR  92 -20.400  -4.163   3.269
  547    HA   TYR  92           HA       TYR  92 -19.312  -4.454   5.748
  548    HB2  TYR  92           2HB      TYR  92 -18.861  -2.506   4.455
  549    HD1  TYR  92           HD1      TYR  92 -17.500  -2.316   6.559
  550    HD2  TYR  92           HD2      TYR  92 -21.530  -0.831   6.361
  551    HE1  TYR  92           HE1      TYR  92 -17.215  -1.233   8.792
  552    HE2  TYR  92           HE2      TYR  92 -21.278   0.169   8.601
  553    HH   TYR  92           HH       TYR  92 -19.905   0.464  10.403
  554    HA   PRO  93           HA       PRO  93 -19.039  -3.941   8.070
  555    HB2  PRO  93           2HB      PRO  93 -19.324  -5.559  10.200
  556    HG2  PRO  93           2HG      PRO  93 -21.541  -6.300   9.705
  557    HD2  PRO  93           2HD      PRO  93 -22.970  -5.010   8.326
  558    H    ASN  94           H        ASN  94 -20.871  -6.647   6.853
  559    HA   ASN  94           HA       ASN  94 -18.666  -8.597   7.098
  560    HB2  ASN  94           2HB      ASN  94 -21.436  -8.682   5.821
  561   HD21  ASN  94          2HD2      ASN  94 -22.353  -8.298   7.973
  562   HD22  ASN  94          1HD2      ASN  94 -22.216  -9.548   9.201
  563    H    CYS  95           H        CYS  95 -17.389  -6.638   6.049
  564    HA   CYS  95           HA       CYS  95 -17.536  -6.719   3.100
  565    HB2  CYS  95           2HB      CYS  95 -15.687  -5.299   3.004
  566    H    ALA  96           H        ALA  96 -15.915  -7.715   1.818
  567    HA   ALA  96           HA       ALA  96 -14.953 -10.263   3.057
  568    HB1  ALA  96           3HB      ALA  96 -15.708 -11.186   0.845
  569    HB2  ALA  96           1HB      ALA  96 -17.015 -10.469   1.824
  570    HB3  ALA  96           2HB      ALA  96 -16.354  -9.573   0.462
  571    H    TYR  97           H        TYR  97 -12.790  -9.345   3.338
  572    HA   TYR  97           HA       TYR  97 -11.483  -8.189   1.063
  573    HB2  TYR  97           2HB      TYR  97 -10.510  -9.048   3.803
  574    HD1  TYR  97           HD1      TYR  97  -9.950  -6.120   1.549
  575    HD2  TYR  97           HD2      TYR  97 -11.499  -7.484   5.332
  576    HE1  TYR  97           HE1      TYR  97  -9.766  -3.841   2.456
  577    HE2  TYR  97           HE2      TYR  97 -11.462  -5.167   6.183
  578    HH   TYR  97           HH       TYR  97 -10.653  -3.001   5.768
  579    H    LYS  98           H        LYS  98  -9.969  -9.018  -0.296
  580    HA   LYS  98           HA       LYS  98  -8.900 -11.767   0.119
  581    HB2  LYS  98           2HB      LYS  98 -10.253 -10.585  -2.196
  582    HG2  LYS  98           2HG      LYS  98 -10.649 -12.906  -1.306
  583    HD2  LYS  98           2HD      LYS  98  -7.861 -13.305  -2.540
  584    HE2  LYS  98           2HE      LYS  98  -8.256 -15.762  -2.098
  585    HZ1  LYS  98           3HZ      LYS  98  -9.468 -16.175  -4.093
  586    HZ2  LYS  98           1HZ      LYS  98 -10.037 -14.635  -4.154
  587    HZ3  LYS  98           2HZ      LYS  98  -8.426 -14.927  -4.338
  588    H    THR  99           H        THR  99  -6.717 -11.946  -0.009
  589    HA   THR  99           HA       THR  99  -5.159  -9.481  -0.247
  590    HB   THR  99           HB       THR  99  -4.212 -12.197   0.712
  591    HG1  THR  99           HG1      THR  99  -4.825 -11.546   2.753
  592   HG21  THR  99          1HG2      THR  99  -2.426 -10.526   0.322
  593   HG22  THR  99          2HG2      THR  99  -3.290  -9.359   1.354
  594   HG23  THR  99          3HG2      THR  99  -2.625 -10.848   2.051
  595    H    THR 100           H        THR 100  -3.357  -9.396  -1.733
  596    HA   THR 100           HA       THR 100  -3.028 -11.690  -3.645
  597    HB   THR 100           HB       THR 100  -3.188  -8.760  -4.425
  598    HG1  THR 100           HG1      THR 100  -5.236  -9.208  -5.104
  599   HG21  THR 100          1HG2      THR 100  -1.873 -10.178  -5.985
  600   HG22  THR 100          2HG2      THR 100  -3.227 -11.326  -6.081
  601   HG23  THR 100          3HG2      THR 100  -3.407  -9.677  -6.714
  602    H    GLN 101           H        GLN 101  -1.009 -12.369  -2.950
  603    HA   GLN 101           HA       GLN 101   1.159 -10.544  -2.331
  604    HB2  GLN 101           2HB      GLN 101   0.843 -12.702  -1.237
  605    HG2  GLN 101           2HG      GLN 101   3.135 -11.678  -1.391
  606   HE21  GLN 101          2HE2      GLN 101   2.821 -14.640  -3.498
  607   HE22  GLN 101          1HE2      GLN 101   4.197 -14.216  -4.498
  608    H    VAL 102           H        VAL 102   2.646  -9.653  -3.770
  609    HA   VAL 102           HA       VAL 102   3.524 -11.223  -6.071
  610    HB   VAL 102           HB       VAL 102   3.440  -9.012  -7.425
  611   HG11  VAL 102          1HG1      VAL 102   2.060 -11.002  -7.988
  612   HG12  VAL 102          2HG1      VAL 102   0.755 -10.354  -6.968
  613   HG13  VAL 102          3HG1      VAL 102   1.289  -9.458  -8.398
  614   HG21  VAL 102          3HG2      VAL 102   1.756  -7.382  -6.925
  615   HG22  VAL 102          1HG2      VAL 102   1.073  -8.364  -5.617
  616   HG23  VAL 102          2HG2      VAL 102   2.665  -7.625  -5.419
  617    H    GLU 103           H        GLU 103   5.630 -10.052  -6.924
  618    HA   GLU 103           HA       GLU 103   6.663  -8.145  -4.941
  619    HB2  GLU 103           2HB      GLU 103   8.875  -8.928  -5.110
  620    HG2  GLU 103           2HG      GLU 103   7.829 -11.439  -6.438
  621    H    LYS 104           H        LYS 104   7.188  -6.277  -5.814
  622    HA   LYS 104           HA       LYS 104   7.736  -5.866  -8.673
  623    HB2  LYS 104           2HB      LYS 104   5.011  -5.616  -7.526
  624    HG2  LYS 104           2HG      LYS 104   4.386  -5.347  -9.874
  625    HD2  LYS 104           2HD      LYS 104   6.002  -7.847 -10.026
  626    HE2  LYS 104           2HE      LYS 104   3.727  -8.802 -10.391
  627    HZ1  LYS 104           3HZ      LYS 104   3.196  -7.595 -12.399
  628    HZ2  LYS 104           1HZ      LYS 104   4.177  -6.346 -11.968
  629    HZ3  LYS 104           2HZ      LYS 104   4.822  -7.826 -12.290
  630    H    HIS 105           H        HIS 105   7.948  -3.355  -8.918
  631    HA   HIS 105           HA       HIS 105   9.427  -2.336  -6.570
  632    HB2  HIS 105           2HB      HIS 105   8.561  -0.637  -8.925
  633    HD1  HIS 105           HD1      HIS 105   8.963  -2.487 -10.798
  634    HD2  HIS 105           HD2      HIS 105  12.250  -1.123  -8.531
  635    HE1  HIS 105           HE1      HIS 105  11.095  -3.022 -12.182
  636    HE2  HIS 105           HE2      HIS 105  13.086  -2.186 -10.767
  637    H    ILE 106           H        ILE 106   8.177  -1.680  -4.781
  638    HA   ILE 106           HA       ILE 106   5.503  -0.654  -5.092
  639    HB   ILE 106           HB       ILE 106   5.757   0.299  -2.862
  640   HG12  ILE 106          2HG1      ILE 106   8.586  -0.856  -2.857
  641   HG21  ILE 106          1HG2      ILE 106   4.987  -1.967  -3.170
  642   HG22  ILE 106          2HG2      ILE 106   6.648  -2.603  -3.161
  643   HG23  ILE 106          3HG2      ILE 106   5.944  -1.892  -1.697
  644   HD11  ILE 106          3HD1      ILE 106   8.701   0.467  -0.705
  645   HD12  ILE 106          1HD1      ILE 106   6.938   0.643  -0.770
  646   HD13  ILE 106          2HD1      ILE 106   7.679  -0.971  -0.624
  647    H    ILE 107           H        ILE 107   4.777   1.411  -5.375
  648    HA   ILE 107           HA       ILE 107   6.756   3.538  -5.998
  649    HB   ILE 107           HB       ILE 107   3.951   3.239  -7.106
  650   HG12  ILE 107          2HG1      ILE 107   5.234   1.270  -7.845
  651   HG21  ILE 107          1HG2      ILE 107   4.870   5.483  -7.113
  652   HG22  ILE 107          2HG2      ILE 107   6.331   4.935  -7.946
  653   HG23  ILE 107          3HG2      ILE 107   4.753   4.859  -8.770
  654   HD11  ILE 107          3HD1      ILE 107   6.939   1.488  -9.535
  655   HD12  ILE 107          1HD1      ILE 107   7.056   3.234  -9.258
  656   HD13  ILE 107          2HD1      ILE 107   7.496   2.080  -7.965
  657    H    VAL 108           H        VAL 108   6.798   4.680  -4.057
  658    HA   VAL 108           HA       VAL 108   4.227   4.992  -2.599
  659    HB   VAL 108           HB       VAL 108   5.349   5.567  -0.645
  660   HG11  VAL 108          1HG1      VAL 108   5.096   3.178  -1.171
  661   HG12  VAL 108          2HG1      VAL 108   6.741   3.152  -1.849
  662   HG13  VAL 108          3HG1      VAL 108   6.483   3.509  -0.127
  663   HG21  VAL 108          3HG2      VAL 108   7.896   5.443  -0.532
  664   HG22  VAL 108          1HG2      VAL 108   7.865   5.653  -2.297
  665   HG23  VAL 108          2HG2      VAL 108   7.186   6.904  -1.247
  666    H    ALA 109           H        ALA 109   4.014   7.175  -1.480
  667    HA   ALA 109           HA       ALA 109   4.569   9.403  -3.418
  668    HB1  ALA 109           3HB      ALA 109   2.378  10.235  -2.802
  669    HB2  ALA 109           1HB      ALA 109   2.180   8.518  -3.267
  670    HB3  ALA 109           2HB      ALA 109   2.250   8.988  -1.562
  671    H    CYS 110           H        CYS 110   5.986  10.752  -2.417
  672    HA   CYS 110           HA       CYS 110   6.198  10.892   0.542
  673    HB2  CYS 110           2HB      CYS 110   8.037   9.608  -0.579
  674    H    GLY 111           H        GLY 111   6.771  12.713   1.545
  675    HA2  GLY 111           2HA      GLY 111   7.595  15.149   0.467
  676    H    GLY 112           H        GLY 112   6.116  16.837   2.317
  677    HA2  GLY 112           2HA      GLY 112   5.923  17.393   4.537
  678    H    LYS 113           H        LYS 113   8.340  17.839   3.998
  679    HA   LYS 113           HA       LYS 113  10.559  16.666   4.456
  680    HB2  LYS 113           2HB      LYS 113  11.612  18.689   5.200
  681    HG2  LYS 113           2HG      LYS 113   9.686  20.640   5.305
  682    HD2  LYS 113           2HD      LYS 113  11.029  19.204   7.634
  683    HE2  LYS 113           2HE      LYS 113   9.648  21.931   7.553
  684    HZ1  LYS 113           3HZ      LYS 113  10.190  21.966   9.878
  685    HZ2  LYS 113           1HZ      LYS 113  10.995  20.538   9.776
  686    HZ3  LYS 113           2HZ      LYS 113  11.575  21.871   8.998
  687    HA   PRO 114           HA       PRO 114  12.619  16.013   5.417
  688    HB2  PRO 114           2HB      PRO 114  13.566  13.589   6.323
  689    HG2  PRO 114           2HG      PRO 114  11.716  13.117   7.789
  690    HD2  PRO 114           2HD      PRO 114  10.345  14.842   8.597
  691    H    SER 115           H        SER 115  13.309  13.716   4.163
  692    HA   SER 115           HA       SER 115  11.182  13.442   2.262
  693    HB2  SER 115           2HB      SER 115  12.952  11.899   1.249
  694    HG   SER 115           HG       SER 115  13.820  11.281   3.261
  695    H    VAL 116           H        VAL 116   9.493  12.534   3.728
  696    HA   VAL 116           HA       VAL 116   9.867   9.619   4.245
  697    HB   VAL 116           HB       VAL 116   8.269   9.849   6.042
  698   HG11  VAL 116          1HG1      VAL 116  10.729  10.206   6.401
  699   HG12  VAL 116          2HG1      VAL 116  10.472  11.949   6.223
  700   HG13  VAL 116          3HG1      VAL 116   9.722  11.085   7.575
  701   HG21  VAL 116          3HG2      VAL 116   7.521  12.047   6.854
  702   HG22  VAL 116          1HG2      VAL 116   8.233  12.837   5.439
  703   HG23  VAL 116          2HG2      VAL 116   6.875  11.725   5.243
  704    HA   PRO 117           HA       PRO 117   6.520   9.001   1.398
  705    HB2  PRO 117           2HB      PRO 117   5.889   6.429   1.769
  706    HG2  PRO 117           2HG      PRO 117   6.995   6.119   3.901
  707    HD2  PRO 117           2HD      PRO 117   8.580   7.676   4.618
  708    H    VAL 118           H        VAL 118   4.412   9.582   1.607
  709    HA   VAL 118           HA       VAL 118   3.005   9.352   4.224
  710    HB   VAL 118           HB       VAL 118   1.895  11.487   3.598
  711   HG11  VAL 118          1HG1      VAL 118   3.793  11.489   5.147
  712   HG12  VAL 118          2HG1      VAL 118   4.925  11.677   3.789
  713   HG13  VAL 118          3HG1      VAL 118   3.766  12.963   4.166
  714   HG21  VAL 118          3HG2      VAL 118   2.808  12.932   1.870
  715   HG22  VAL 118          1HG2      VAL 118   4.018  11.725   1.418
  716   HG23  VAL 118          2HG2      VAL 118   2.294  11.413   1.123
  717    H    HIS 119           H        HIS 119   2.851   8.617   0.837
  718    HA   HIS 119           HA       HIS 119   0.206   7.401   1.239
  719    HB2  HIS 119           2HB      HIS 119   0.505   9.913  -0.192
  720    HD1  HIS 119           HD1      HIS 119  -2.282   8.993  -1.962
  721    HD2  HIS 119           HD2      HIS 119  -1.459   9.321   2.171
  722    HE1  HIS 119           HE1      HIS 119  -4.521   9.467  -0.799
  723    HE2  HIS 119           HE2      HIS 119  -4.004   9.652   1.713
  724    H    PHE 120           H        PHE 120  -0.250   6.410  -1.216
  725    HA   PHE 120           HA       PHE 120   2.238   5.259  -2.255
  726    HB2  PHE 120           2HB      PHE 120   1.627   3.637  -0.648
  727    HD1  PHE 120           HD2      PHE 120  -1.103   2.798  -3.029
  728    HD2  PHE 120           HD1      PHE 120   3.084   2.223  -2.132
  729    HE1  PHE 120           HE2      PHE 120  -1.131   0.650  -4.247
  730    HE2  PHE 120           HE1      PHE 120   3.036   0.072  -3.377
  731    HZ   PHE 120           HZ       PHE 120   0.920  -0.723  -4.394
  732    H    ASP 121           H        ASP 121   2.128   4.769  -4.454
  733    HA   ASP 121           HA       ASP 121  -0.274   5.751  -5.902
  734    HB2  ASP 121           2HB      ASP 121   1.817   6.745  -6.540
  735    H    ALA 122           H        ALA 122   2.109   3.022  -6.139
  736    HA   ALA 122           HA       ALA 122   0.118   0.985  -6.574
  737    HB1  ALA 122           3HB      ALA 122   0.488   0.668  -8.989
  738    HB2  ALA 122           1HB      ALA 122  -0.130   2.300  -8.714
  739    HB3  ALA 122           2HB      ALA 122   1.600   2.052  -9.022
  740    H    SER 123           H        SER 123   1.569  -0.851  -8.001
  741    HA   SER 123           HA       SER 123   4.363  -0.717  -7.117
  742    HB2  SER 123           2HB      SER 123   2.686  -3.209  -6.699
  743    HG   SER 123           HG       SER 123   2.808  -2.703  -4.519
  744    H    VAL 124           H        VAL 124   5.621  -1.095  -8.942
  745    HA   VAL 124           HA       VAL 124   5.076  -3.394 -10.461
  746    HB   VAL 124           HB       VAL 124   3.658  -1.314 -11.512
  747   HG11  VAL 124          1HG1      VAL 124   5.633  -0.146 -12.387
  748   HG12  VAL 124          2HG1      VAL 124   6.096  -1.605 -13.302
  749   HG13  VAL 124          3HG1      VAL 124   4.586  -0.755 -13.677
  750   HG21  VAL 124          3HG2      VAL 124   3.333  -2.872 -13.411
  751   HG22  VAL 124          1HG2      VAL 124   4.738  -3.818 -12.868
  752   HG23  VAL 124          2HG2      VAL 124   3.284  -3.704 -11.854
  Start of MODEL   10
    1    HA   LYS   1           HA       LYS   1   2.313  11.175  18.230
    2    HB2  LYS   1           2HB      LYS   1   4.254  12.333  18.853
    3    HG2  LYS   1           2HG      LYS   1   4.546  12.535  15.835
    4    HD2  LYS   1           2HD      LYS   1   4.601  14.799  17.850
    5    HE2  LYS   1           2HE      LYS   1   5.777  16.006  16.184
    6    HZ1  LYS   1           2HZ      LYS   1   3.457  15.515  15.403
    7    HZ2  LYS   1           3HZ      LYS   1   4.529  15.840  14.195
    8    HZ3  LYS   1           1HZ      LYS   1   4.056  14.309  14.458
    9    H    GLU   2           H        GLU   2   1.438  11.852  16.215
   10    HA   GLU   2           HA       GLU   2   2.043  10.159  13.853
   11    HB2  GLU   2           2HB      GLU   2  -0.283  10.234  14.489
   12    HG2  GLU   2           2HG      GLU   2  -0.049  12.198  12.185
   13    H    SER   3           H        SER   3   2.580  11.178  11.916
   14    HA   SER   3           HA       SER   3   2.906  14.073  11.694
   15    HB2  SER   3           2HB      SER   3   5.300  12.249  11.402
   16    HG   SER   3           HG       SER   3   6.108  13.248  13.186
   17    H    ALA   4           H        ALA   4   1.130  12.307  10.483
   18    HA   ALA   4           HA       ALA   4   0.290  11.535   8.557
   19    HB1  ALA   4           3HB      ALA   4   0.981  12.434   6.425
   20    HB2  ALA   4           1HB      ALA   4   0.889  13.731   7.631
   21    HB3  ALA   4           2HB      ALA   4   2.468  13.103   7.111
   22    H    ALA   5           H        ALA   5   3.816  11.470   7.932
   23    HA   ALA   5           HA       ALA   5   4.003   9.178   6.428
   24    HB1  ALA   5           3HB      ALA   5   6.334   9.016   7.232
   25    HB2  ALA   5           1HB      ALA   5   5.874  10.681   6.830
   26    HB3  ALA   5           2HB      ALA   5   5.971  10.177   8.530
   27    H    ALA   6           H        ALA   6   4.476   9.262   9.987
   28    HA   ALA   6           HA       ALA   6   4.690   6.547  10.457
   29    HB1  ALA   6           3HB      ALA   6   3.962   7.046  12.761
   30    HB2  ALA   6           1HB      ALA   6   5.084   8.280  12.156
   31    HB3  ALA   6           2HB      ALA   6   3.341   8.624  12.234
   32    H    LYS   7           H        LYS   7   1.658   8.404  10.029
   33    HA   LYS   7           HA       LYS   7  -0.086   6.288  10.967
   34    HB2  LYS   7           2HB      LYS   7  -0.559   8.796  10.880
   35    HG2  LYS   7           2HG      LYS   7  -2.503   6.838   9.679
   36    HD2  LYS   7           2HD      LYS   7  -2.578   9.836   9.532
   37    HE2  LYS   7           2HE      LYS   7  -5.127   9.692   9.571
   38    HZ1  LYS   7           3HZ      LYS   7  -5.182  10.067  11.970
   39    HZ2  LYS   7           1HZ      LYS   7  -3.642   9.455  12.121
   40    HZ3  LYS   7           2HZ      LYS   7  -3.838  10.776  11.301
   41    H    PHE   8           H        PHE   8   0.738   7.679   7.776
   42    HA   PHE   8           HA       PHE   8  -0.641   5.875   6.095
   43    HB2  PHE   8           2HB      PHE   8   0.148   7.542   4.798
   44    HD1  PHE   8           HD1      PHE   8   0.401   5.414   3.243
   45    HD2  PHE   8           HD2      PHE   8   3.701   7.186   5.373
   46    HE1  PHE   8           HE1      PHE   8   2.041   4.302   1.726
   47    HE2  PHE   8           HE2      PHE   8   5.271   5.914   4.020
   48    HZ   PHE   8           HZ       PHE   8   4.441   4.672   1.986
   49    H    GLU   9           H        GLU   9   2.703   5.703   7.318
   50    HA   GLU   9           HA       GLU   9   3.464   3.184   6.337
   51    HB2  GLU   9           2HB      GLU   9   4.251   4.754   8.803
   52    HG2  GLU   9           2HG      GLU   9   5.591   3.714   6.286
   53    H    ARG  10           H        ARG  10   2.134   3.841   9.624
   54    HA   ARG  10           HA       ARG  10   2.078   1.117  10.124
   55    HB2  ARG  10           2HB      ARG  10   0.456   3.372  11.382
   56    HG2  ARG  10           2HG      ARG  10   3.124   3.237  11.484
   57    HD2  ARG  10           2HD      ARG  10   3.100   0.812  12.180
   58    HE   ARG  10           HE       ARG  10   1.472   1.872  14.289
   59   HH11  ARG  10          1HH2      ARG  10   4.064  -0.446  13.706
   60   HH12  ARG  10          2HH2      ARG  10   3.758  -1.430  15.102
   61   HH21  ARG  10          1HH1      ARG  10   1.049   0.603  16.223
   62   HH22  ARG  10          2HH1      ARG  10   1.987  -0.814  16.561
   63    H    GLN  11           H        GLN  11  -0.342   3.108   8.523
   64    HA   GLN  11           HA       GLN  11  -2.468   1.137   8.580
   65    HB2  GLN  11           2HB      GLN  11  -1.994   3.617   6.897
   66    HG2  GLN  11           2HG      GLN  11  -3.972   2.939   9.128
   67   HE21  GLN  11          2HE2      GLN  11  -5.894   3.970   8.695
   68   HE22  GLN  11          1HE2      GLN  11  -6.010   5.562   7.968
   69    H    HIS  12           H        HIS  12   0.028   1.988   6.115
   70    HA   HIS  12           HA       HIS  12  -1.169  -0.048   4.315
   71    HB2  HIS  12           2HB      HIS  12  -0.347   1.106   2.586
   72    HD1  HIS  12           HD1      HIS  12   2.047   2.992   4.920
   73    HD2  HIS  12           HD2      HIS  12   1.988   0.377   1.625
   74    HE1  HIS  12           HE1      HIS  12   4.519   2.681   4.185
   75    HE2  HIS  12           HE2      HIS  12   4.462   1.098   2.164
   76    H    MET  13           H        MET  13   1.850   0.493   6.068
   77    HA   MET  13           HA       MET  13   3.262  -1.695   4.763
   78    HB2  MET  13           2HB      MET  13   4.327   0.422   5.520
   79    HG2  MET  13           2HG      MET  13   5.585  -1.903   6.982
   80    HE1  MET  13           3HE      MET  13   9.133  -0.908   5.388
   81    HE2  MET  13           1HE      MET  13   8.453  -1.953   6.655
   82    HE3  MET  13           2HE      MET  13   7.910  -2.093   4.954
   83    H    ASP  14           H        ASP  14   2.338  -3.623   5.173
   84    HA   ASP  14           HA       ASP  14   1.280  -4.351   7.804
   85    HB2  ASP  14           2HB      ASP  14   0.068  -4.909   5.781
   86    H    SER  15           H        SER  15   3.769  -5.461   5.547
   87    HA   SER  15           HA       SER  15   5.661  -6.823   5.860
   88    HB2  SER  15           2HB      SER  15   5.845  -4.881   8.178
   89    HG   SER  15           HG       SER  15   7.475  -4.154   6.448
   90    H    GLY  16           H        GLY  16   7.067  -7.827   8.034
   91    HA2  GLY  16           2HA      GLY  16   7.090  -9.803   9.217
   92    H    ASN  17           H        ASN  17   5.792 -12.210   8.773
   93    HA   ASN  17           HA       ASN  17   5.095 -12.608   6.018
   94    HB2  ASN  17           2HB      ASN  17   7.610 -12.428   5.834
   95   HD21  ASN  17          2HD2      ASN  17   8.925 -15.014   5.409
   96   HD22  ASN  17          1HD2      ASN  17   8.023 -15.787   4.119
   97    H    SER  18           H        SER  18   4.598 -14.992   5.702
   98    HA   SER  18           HA       SER  18   4.618 -16.852   7.787
   99    HB2  SER  18           2HB      SER  18   2.564 -14.895   8.163
  100    HG   SER  18           HG       SER  18   2.134 -16.160   9.909
  101    HA   PRO  19           HA       PRO  19   3.886 -19.281   4.320
  102    HB2  PRO  19           2HB      PRO  19   2.349 -21.434   4.980
  103    HG2  PRO  19           2HG      PRO  19   1.235 -20.393   6.849
  104    HD2  PRO  19           2HD      PRO  19   2.178 -18.599   7.973
  105    H    SER  20           H        SER  20   2.779 -17.434   3.312
  106    HA   SER  20           HA       SER  20   1.364 -16.637   1.774
  107    HB2  SER  20           2HB      SER  20   0.007 -18.092   0.425
  108    HG   SER  20           HG       SER  20   0.446 -20.021   2.448
  109    H    SER  21           H        SER  21  -1.240 -18.749   2.608
  110    HA   SER  21           HA       SER  21  -3.295 -18.448   3.400
  111    HB2  SER  21           2HB      SER  21  -2.575 -18.076   5.597
  112    HG   SER  21           HG       SER  21  -4.706 -17.019   5.040
  113    H    SER  22           H        SER  22  -2.024 -15.115   3.077
  114    HA   SER  22           HA       SER  22  -2.868 -13.248   2.120
  115    HB2  SER  22           2HB      SER  22  -4.752 -15.082   0.552
  116    HG   SER  22           HG       SER  22  -3.354 -13.852  -1.057
  117    H    SER  23           H        SER  23  -5.627 -15.423   2.778
  118    HA   SER  23           HA       SER  23  -7.652 -13.696   3.489
  119    HB2  SER  23           2HB      SER  23  -8.282 -15.680   5.030
  120    HG   SER  23           HG       SER  23  -6.956 -17.519   4.703
  121    H    ASN  24           H        ASN  24  -5.279 -15.194   5.695
  122    HA   ASN  24           HA       ASN  24  -6.261 -14.027   8.013
  123    HB2  ASN  24           2HB      ASN  24  -3.422 -14.913   7.413
  124   HD21  ASN  24          2HD2      ASN  24  -3.029 -16.898   9.095
  125   HD22  ASN  24          1HD2      ASN  24  -4.277 -18.127   8.993
  126    H    TYR  25           H        TYR  25  -3.362 -12.838   6.225
  127    HA   TYR  25           HA       TYR  25  -2.937 -10.661   7.931
  128    HB2  TYR  25           2HB      TYR  25  -2.542 -10.441   4.924
  129    HD1  TYR  25           HD2      TYR  25  -1.010 -12.070   7.958
  130    HD2  TYR  25           HD1      TYR  25  -0.870 -11.490   3.684
  131    HE1  TYR  25           HE2      TYR  25   0.400 -14.080   7.726
  132    HE2  TYR  25           HE1      TYR  25   0.648 -13.418   3.470
  133    HH   TYR  25           HH       TYR  25   1.062 -15.448   4.565
  134    H    CYS  26           H        CYS  26  -5.072 -10.926   5.102
  135    HA   CYS  26           HA       CYS  26  -5.567  -8.151   4.706
  136    HB2  CYS  26           2HB      CYS  26  -6.745 -10.646   3.765
  137    H    ASN  27           H        ASN  27  -7.515 -10.574   6.369
  138    HA   ASN  27           HA       ASN  27  -9.414  -8.644   7.326
  139    HB2  ASN  27           2HB      ASN  27  -9.061 -11.570   7.992
  140   HD21  ASN  27          2HD2      ASN  27  -8.840 -12.047   5.622
  141   HD22  ASN  27          1HD2      ASN  27 -10.103 -11.624   4.475
  142    H    LEU  28           H        LEU  28  -6.689 -10.435   8.777
  143    HA   LEU  28           HA       LEU  28  -6.989  -9.681  11.424
  144    HB2  LEU  28           2HB      LEU  28  -5.271 -11.300  10.599
  145    HG   LEU  28           HG       LEU  28  -3.909  -8.941  11.982
  146   HD11  LEU  28          1HD1      LEU  28  -5.800  -9.698  13.353
  147   HD12  LEU  28          2HD1      LEU  28  -5.309 -11.394  13.142
  148   HD13  LEU  28          3HD1      LEU  28  -4.289 -10.271  14.065
  149   HD21  LEU  28          3HD2      LEU  28  -2.284 -10.633  12.711
  150   HD22  LEU  28          1HD2      LEU  28  -3.146 -11.883  11.789
  151   HD23  LEU  28          2HD2      LEU  28  -2.348 -10.539  10.943
  152    H    MET  29           H        MET  29  -4.910  -8.076   8.925
  153    HA   MET  29           HA       MET  29  -4.253  -5.992  10.727
  154    HB2  MET  29           2HB      MET  29  -2.841  -6.841   8.844
  155    HG2  MET  29           2HG      MET  29  -2.546  -4.626  10.152
  156    HE1  MET  29           3HE      MET  29  -2.996  -2.516   6.108
  157    HE2  MET  29           1HE      MET  29  -1.453  -3.061   6.817
  158    HE3  MET  29           2HE      MET  29  -2.688  -4.244   6.357
  159    H    MET  30           H        MET  30  -6.635  -6.078   7.964
  160    HA   MET  30           HA       MET  30  -7.322  -3.336   8.253
  161    HB2  MET  30           2HB      MET  30  -9.224  -3.744   6.915
  162    HG2  MET  30           2HG      MET  30  -9.711  -6.242   6.305
  163    HE1  MET  30           3HE      MET  30 -12.786  -7.184   8.598
  164    HE2  MET  30           1HE      MET  30 -11.790  -7.682   7.212
  165    HE3  MET  30           2HE      MET  30 -11.146  -7.805   8.867
  166    H    CYS  31           H        CYS  31  -8.455  -6.219  10.070
  167    HA   CYS  31           HA       CYS  31 -10.490  -4.825  11.538
  168    HB2  CYS  31           2HB      CYS  31 -10.487  -7.270  11.349
  169    HG   CYS  31           HG       CYS  31 -10.860  -8.041  13.828
  170    H    CYS  32           H        CYS  32  -7.118  -5.765  12.374
  171    HA   CYS  32           HA       CYS  32  -7.082  -4.576  14.948
  172    HB2  CYS  32           2HB      CYS  32  -4.883  -5.350  12.993
  173    HG   CYS  32           HG       CYS  32  -4.219  -7.237  14.651
  174    H    ARG  33           H        ARG  33  -6.352  -3.190  11.756
  175    HA   ARG  33           HA       ARG  33  -5.673  -0.575  12.923
  176    HB2  ARG  33           2HB      ARG  33  -5.013  -1.787  10.497
  177    HG2  ARG  33           2HG      ARG  33  -4.588   0.712   9.792
  178    HD2  ARG  33           2HD      ARG  33  -2.739  -0.615  10.234
  179    HE   ARG  33           HE       ARG  33  -2.840  -2.051  11.917
  180   HH11  ARG  33          1HH2      ARG  33  -3.551   1.110  13.254
  181   HH12  ARG  33          2HH2      ARG  33  -3.692   0.582  14.906
  182   HH21  ARG  33          1HH1      ARG  33  -2.974  -2.814  14.089
  183   HH22  ARG  33          2HH1      ARG  33  -3.501  -1.750  15.350
  184    H    LYS  34           H        LYS  34  -8.470  -2.248  11.690
  185    HA   LYS  34           HA       LYS  34 -10.619  -1.896  11.954
  186    HB2  LYS  34           2HB      LYS  34  -9.495  -0.887  14.266
  187    HG2  LYS  34           2HG      LYS  34 -11.462  -2.465  13.913
  188    HD2  LYS  34           2HD      LYS  34 -12.989   0.101  14.433
  189    HE2  LYS  34           2HE      LYS  34 -13.720  -2.479  14.967
  190    HZ1  LYS  34           3HZ      LYS  34 -15.124  -3.284  13.291
  191    HZ2  LYS  34           1HZ      LYS  34 -15.101  -1.872  12.445
  192    HZ3  LYS  34           2HZ      LYS  34 -13.791  -2.822  12.416
  193    H    MET  35           H        MET  35  -9.495  -1.037   9.755
  194    HA   MET  35           HA       MET  35 -10.957   1.432   8.933
  195    HB2  MET  35           2HB      MET  35  -9.056  -0.490   7.555
  196    HG2  MET  35           2HG      MET  35  -7.949   1.522   6.809
  197    HE1  MET  35           3HE      MET  35  -7.894   2.997  11.121
  198    HE2  MET  35           1HE      MET  35  -8.629   3.799   9.717
  199    HE3  MET  35           2HE      MET  35  -9.415   2.386  10.451
  200    H    THR  36           H        THR  36 -12.607   0.145  10.142
  201    HA   THR  36           HA       THR  36 -14.622  -0.906   8.331
  202    HB   THR  36           HB       THR  36 -15.075  -2.830   9.998
  203    HG1  THR  36           HG1      THR  36 -12.278  -2.636  10.414
  204   HG21  THR  36          1HG2      THR  36 -14.327  -3.205   7.685
  205   HG22  THR  36          2HG2      THR  36 -12.638  -3.152   8.230
  206   HG23  THR  36          3HG2      THR  36 -13.730  -4.419   8.825
  207    H    GLN  37           H        GLN  37 -14.452   1.466   9.345
  208    HA   GLN  37           HA       GLN  37 -16.194   1.650  11.777
  209    HB2  GLN  37           2HB      GLN  37 -14.961   3.799  10.018
  210    HG2  GLN  37           2HG      GLN  37 -13.295   2.539  11.511
  211   HE21  GLN  37          2HE2      GLN  37 -14.773   1.202  13.100
  212   HE22  GLN  37          1HE2      GLN  37 -14.895   1.856  14.732
  213    H    GLY  38           H        GLY  38 -17.234   4.128   9.951
  214    HA2  GLY  38           2HA      GLY  38 -19.791   3.070   9.551
  215    H    LYS  39           H        LYS  39 -16.955   2.641   7.549
  216    HA   LYS  39           HA       LYS  39 -18.404   0.809   5.902
  217    HB2  LYS  39           2HB      LYS  39 -17.672   1.660   3.750
  218    HG2  LYS  39           2HG      LYS  39 -16.643   4.039   5.352
  219    HD2  LYS  39           2HD      LYS  39 -18.050   4.923   3.571
  220    HE2  LYS  39           2HE      LYS  39 -16.267   3.272   1.701
  221    HZ1  LYS  39           3HZ      LYS  39 -17.618   4.230  -0.022
  222    HZ2  LYS  39           1HZ      LYS  39 -18.439   5.163   1.051
  223    HZ3  LYS  39           2HZ      LYS  39 -16.836   5.433   0.780
  224    H    CYS  40           H        CYS  40 -16.746  -0.350   4.511
  225    HA   CYS  40           HA       CYS  40 -14.113  -0.576   5.879
  226    HB2  CYS  40           2HB      CYS  40 -14.051  -2.819   5.179
  227    H    LYS  41           H        LYS  41 -12.435  -1.403   3.961
  228    HA   LYS  41           HA       LYS  41 -12.631   0.738   1.902
  229    HB2  LYS  41           2HB      LYS  41 -10.684   0.513   3.678
  230    HG2  LYS  41           2HG      LYS  41 -10.219   1.052   0.732
  231    HD2  LYS  41           2HD      LYS  41  -8.810   2.064   3.255
  232    HE2  LYS  41           2HE      LYS  41  -8.791   3.854   1.586
  233    HZ1  LYS  41           3HZ      LYS  41  -7.639   3.326  -0.564
  234    HZ2  LYS  41           1HZ      LYS  41  -7.898   1.723  -0.242
  235    HZ3  LYS  41           2HZ      LYS  41  -9.166   2.731  -0.431
  236    HA   PRO  42           HA       PRO  42 -13.214  -2.793  -0.773
  237    HB2  PRO  42           2HB      PRO  42 -13.245  -1.564  -3.239
  238    HG2  PRO  42           2HG      PRO  42 -12.315   0.540  -2.517
  239    HD2  PRO  42           2HD      PRO  42 -12.387   1.170  -0.261
  240    H    VAL  43           H        VAL  43 -10.519  -0.545  -1.122
  241    HA   VAL  43           HA       VAL  43  -8.772  -2.770  -1.962
  242    HB   VAL  43           HB       VAL  43  -7.600  -1.192  -3.542
  243   HG11  VAL  43          1HG1      VAL  43  -8.949  -3.061  -4.324
  244   HG12  VAL  43          2HG1      VAL  43 -10.410  -2.047  -4.341
  245   HG13  VAL  43          3HG1      VAL  43  -9.061  -1.683  -5.434
  246   HG21  VAL  43          3HG2      VAL  43  -8.840   0.617  -4.597
  247   HG22  VAL  43          1HG2      VAL  43 -10.224   0.362  -3.528
  248   HG23  VAL  43          2HG2      VAL  43  -8.685   0.961  -2.872
  249    H    ASN  44           H        ASN  44  -6.919  -2.790  -0.861
  250    HA   ASN  44           HA       ASN  44  -5.702  -0.328   0.182
  251    HB2  ASN  44           2HB      ASN  44  -7.291  -1.129   1.978
  252   HD21  ASN  44          2HD2      ASN  44  -6.438  -1.541   4.403
  253   HD22  ASN  44          1HD2      ASN  44  -4.899  -0.765   4.737
  254    H    THR  45           H        THR  45  -3.831  -0.722  -1.136
  255    HA   THR  45           HA       THR  45  -2.835  -3.394  -1.305
  256    HB   THR  45           HB       THR  45  -1.424  -0.868  -2.134
  257    HG1  THR  45           HG1      THR  45  -3.304  -2.501  -3.543
  258   HG21  THR  45          1HG2      THR  45   0.012  -2.840  -2.162
  259   HG22  THR  45          2HG2      THR  45  -1.200  -3.791  -3.042
  260   HG23  THR  45          3HG2      THR  45  -0.397  -2.433  -3.834
  261    H    PHE  46           H        PHE  46  -1.882  -4.420   0.430
  262    HA   PHE  46           HA       PHE  46  -0.607  -2.813   2.520
  263    HB2  PHE  46           2HB      PHE  46  -0.814  -5.792   2.090
  264    HD1  PHE  46           HD1      PHE  46  -3.149  -3.360   2.613
  265    HD2  PHE  46           HD2      PHE  46  -1.540  -6.894   4.463
  266    HE1  PHE  46           HE1      PHE  46  -5.276  -3.693   3.867
  267    HE2  PHE  46           HE2      PHE  46  -3.626  -7.203   5.703
  268    HZ   PHE  46           HZ       PHE  46  -5.529  -5.620   5.400
  269    H    VAL  47           H        VAL  47   1.651  -2.687   2.768
  270    HA   VAL  47           HA       VAL  47   3.363  -4.006   0.661
  271    HB   VAL  47           HB       VAL  47   3.720  -1.499   2.325
  272   HG11  VAL  47          1HG1      VAL  47   5.900  -2.589   2.359
  273   HG12  VAL  47          2HG1      VAL  47   5.795  -2.933   0.616
  274   HG13  VAL  47          3HG1      VAL  47   5.929  -1.260   1.203
  275   HG21  VAL  47          3HG2      VAL  47   3.918  -0.468   0.070
  276   HG22  VAL  47          1HG2      VAL  47   3.739  -2.063  -0.683
  277   HG23  VAL  47          2HG2      VAL  47   2.385  -1.354   0.196
  278    H    HIS  48           H        HIS  48   5.156  -5.213   1.265
  279    HA   HIS  48           HA       HIS  48   5.605  -5.682   4.149
  280    HB2  HIS  48           2HB      HIS  48   5.396  -7.695   1.874
  281    HD1  HIS  48           HD1      HIS  48   5.238  -9.574   4.944
  282    HD2  HIS  48           HD2      HIS  48   2.666  -6.821   3.019
  283    HE1  HIS  48           HE1      HIS  48   2.903  -9.948   5.902
  284    HE2  HIS  48           HE2      HIS  48   1.381  -8.242   4.831
  285    H    GLU  49           H        GLU  49   7.507  -4.688   4.552
  286    HA   GLU  49           HA       GLU  49   9.837  -5.742   3.481
  287    HB2  GLU  49           2HB      GLU  49   8.820  -3.531   1.853
  288    HG2  GLU  49           2HG      GLU  49   9.909  -5.430   0.817
  289    H    SER  50           H        SER  50  11.703  -3.829   3.986
  290    HA   SER  50           HA       SER  50  11.534  -3.477   6.885
  291    HB2  SER  50           2HB      SER  50  13.508  -4.390   5.814
  292    HG   SER  50           HG       SER  50  15.001  -2.985   6.836
  293    H    LEU  51           H        LEU  51  11.384  -1.612   8.006
  294    HA   LEU  51           HA       LEU  51   9.991   0.541   6.880
  295    HB2  LEU  51           2HB      LEU  51  10.005  -0.266   9.289
  296    HG   LEU  51           HG       LEU  51  10.458   2.714   8.854
  297   HD11  LEU  51          1HD1      LEU  51   8.436   1.931   7.721
  298   HD12  LEU  51          2HD1      LEU  51   7.953   0.980   9.142
  299   HD13  LEU  51          3HD1      LEU  51   7.942   2.748   9.209
  300   HD21  LEU  51          3HD2      LEU  51   9.433   2.993  11.091
  301   HD22  LEU  51          1HD2      LEU  51   9.410   1.230  11.300
  302   HD23  LEU  51          2HD2      LEU  51  10.958   2.094  11.185
  303    H    ALA  52           H        ALA  52  13.440   0.296   7.696
  304    HA   ALA  52           HA       ALA  52  14.064   3.046   7.131
  305    HB1  ALA  52           3HB      ALA  52  16.406   2.242   7.068
  306    HB2  ALA  52           1HB      ALA  52  15.542   1.585   8.473
  307    HB3  ALA  52           2HB      ALA  52  15.839   0.558   7.052
  308    H    ASP  53           H        ASP  53  13.788   0.110   5.136
  309    HA   ASP  53           HA       ASP  53  15.025   1.267   2.777
  310    HB2  ASP  53           2HB      ASP  53  14.927  -1.121   2.847
  311    H    VAL  54           H        VAL  54  11.626   0.750   3.860
  312    HA   VAL  54           HA       VAL  54  10.373   2.212   1.811
  313    HB   VAL  54           HB       VAL  54   9.630   1.629   4.665
  314   HG11  VAL  54          1HG1      VAL  54   8.609   3.772   4.370
  315   HG12  VAL  54          2HG1      VAL  54   8.059   3.356   2.720
  316   HG13  VAL  54          3HG1      VAL  54   7.363   2.544   4.145
  317   HG21  VAL  54          3HG2      VAL  54   7.899   0.291   3.446
  318   HG22  VAL  54          1HG2      VAL  54   8.515   0.896   1.912
  319   HG23  VAL  54          2HG2      VAL  54   9.536  -0.145   2.924
  320    H    LYS  55           H        LYS  55  11.875   3.662   4.751
  321    HA   LYS  55           HA       LYS  55  11.298   6.358   3.965
  322    HB2  LYS  55           2HB      LYS  55  13.357   5.116   5.691
  323    HG2  LYS  55           2HG      LYS  55  12.727   7.127   7.125
  324    HD2  LYS  55           2HD      LYS  55  10.654   5.020   6.411
  325    HE2  LYS  55           2HE      LYS  55  10.777   6.918   8.824
  326    HZ1  LYS  55           3HZ      LYS  55   8.516   5.717   9.115
  327    HZ2  LYS  55           1HZ      LYS  55   9.057   4.658   8.101
  328    HZ3  LYS  55           2HZ      LYS  55   9.873   4.826   9.542
  329    H    ALA  56           H        ALA  56  14.198   4.361   3.249
  330    HA   ALA  56           HA       ALA  56  15.576   6.232   1.709
  331    HB1  ALA  56           3HB      ALA  56  16.837   4.364   0.813
  332    HB2  ALA  56           1HB      ALA  56  16.504   4.084   2.531
  333    HB3  ALA  56           2HB      ALA  56  15.578   3.214   1.290
  334    H    VAL  57           H        VAL  57  13.366   3.716   0.484
  335    HA   VAL  57           HA       VAL  57  13.287   4.060  -2.216
  336    HB   VAL  57           HB       VAL  57  11.118   3.506  -0.178
  337   HG11  VAL  57          1HG1      VAL  57   9.795   4.409  -1.914
  338   HG12  VAL  57          2HG1      VAL  57  10.737   3.632  -3.184
  339   HG13  VAL  57          3HG1      VAL  57   9.713   2.663  -2.096
  340   HG21  VAL  57          3HG2      VAL  57  11.329   1.219  -1.062
  341   HG22  VAL  57          1HG2      VAL  57  12.572   1.772  -2.210
  342   HG23  VAL  57          2HG2      VAL  57  12.890   1.815  -0.489
  343    H    CYS  58           H        CYS  58  11.176   5.952   0.016
  344    HA   CYS  58           HA       CYS  58  10.111   7.636  -1.976
  345    HB2  CYS  58           2HB      CYS  58   8.944   8.319  -0.234
  346    H    SER  59           H        SER  59  13.270   7.831  -0.368
  347    HA   SER  59           HA       SER  59  13.805  10.407  -1.781
  348    HB2  SER  59           2HB      SER  59  14.118   9.958   0.803
  349    HG   SER  59           HG       SER  59  16.178  11.123  -0.748
  350    H    GLN  60           H        GLN  60  13.626   7.873  -3.268
  351    HA   GLN  60           HA       GLN  60  16.494   7.599  -4.093
  352    HB2  GLN  60           2HB      GLN  60  14.814   5.612  -3.046
  353    HG2  GLN  60           2HG      GLN  60  16.636   4.085  -4.006
  354   HE21  GLN  60          2HE2      GLN  60  17.128   7.274  -2.194
  355   HE22  GLN  60          1HE2      GLN  60  17.776   6.424  -0.816
  356    H    LYS  61           H        LYS  61  13.781   6.295  -6.017
  357    HA   LYS  61           HA       LYS  61  14.756   8.075  -8.224
  358    HB2  LYS  61           2HB      LYS  61  13.584   5.290  -8.303
  359    HG2  LYS  61           2HG      LYS  61  16.378   6.409  -8.856
  360    HD2  LYS  61           2HD      LYS  61  16.951   4.010  -9.323
  361    HE2  LYS  61           2HE      LYS  61  14.891   5.143 -11.293
  362    HZ1  LYS  61           3HZ      LYS  61  16.222   4.036 -12.900
  363    HZ2  LYS  61           1HZ      LYS  61  17.210   3.402 -11.751
  364    HZ3  LYS  61           2HZ      LYS  61  15.627   2.944 -11.827
  365    H    LYS  62           H        LYS  62  13.348   9.797  -8.164
  366    HA   LYS  62           HA       LYS  62  10.523   9.644  -7.833
  367    HB2  LYS  62           2HB      LYS  62  11.998  11.692  -7.753
  368    HG2  LYS  62           2HG      LYS  62   9.413  11.720  -8.063
  369    HD2  LYS  62           2HD      LYS  62  10.357  12.964 -10.704
  370    HE2  LYS  62           2HE      LYS  62   7.923  13.302  -9.063
  371    HZ1  LYS  62           3HZ      LYS  62   6.386  13.236 -10.839
  372    HZ2  LYS  62           1HZ      LYS  62   7.464  12.631 -11.927
  373    HZ3  LYS  62           2HZ      LYS  62   7.047  11.749 -10.618
  374    H    VAL  63           H        VAL  63   8.970   8.840  -9.220
  375    HA   VAL  63           HA       VAL  63   9.620   8.672 -12.128
  376    HB   VAL  63           HB       VAL  63   8.068   6.775 -12.286
  377   HG11  VAL  63          1HG1      VAL  63  10.533   6.462 -12.186
  378   HG12  VAL  63          2HG1      VAL  63  10.419   6.213 -10.433
  379   HG13  VAL  63          3HG1      VAL  63   9.636   5.075 -11.553
  380   HG21  VAL  63          3HG2      VAL  63   7.427   5.452 -10.350
  381   HG22  VAL  63          1HG2      VAL  63   8.224   6.583  -9.247
  382   HG23  VAL  63          2HG2      VAL  63   6.787   7.089 -10.165
  383    H    THR  64           H        THR  64   7.453   8.761 -13.362
  384    HA   THR  64           HA       THR  64   5.579  10.639 -11.981
  385    HB   THR  64           HB       THR  64   6.383  10.568 -14.896
  386    HG1  THR  64           HG1      THR  64   7.169  12.592 -14.358
  387   HG21  THR  64          1HG2      THR  64   3.947  10.996 -14.676
  388   HG22  THR  64          2HG2      THR  64   4.270  12.246 -13.454
  389   HG23  THR  64          3HG2      THR  64   4.807  12.473 -15.129
  390    H    CYS  65           H        CYS  65   3.521  10.023 -11.979
  391    HA   CYS  65           HA       CYS  65   3.284   7.110 -12.028
  392    HB2  CYS  65           2HB      CYS  65   0.944   8.550 -11.041
  393    H    LYS  66           H        LYS  66   0.570   6.723 -12.359
  394    HA   LYS  66           HA       LYS  66   0.268   6.936 -15.271
  395    HB2  LYS  66           2HB      LYS  66  -0.292   4.969 -13.680
  396    HG2  LYS  66           2HG      LYS  66  -2.162   5.945 -15.847
  397    HD2  LYS  66           2HD      LYS  66  -3.645   4.661 -14.472
  398    HE2  LYS  66           2HE      LYS  66  -3.068   2.162 -14.110
  399    HZ1  LYS  66           3HZ      LYS  66  -2.018   2.555 -12.024
  400    HZ2  LYS  66           1HZ      LYS  66  -1.594   4.082 -12.440
  401    HZ3  LYS  66           2HZ      LYS  66  -3.177   3.697 -12.268
  402    H    ASP  67           H        ASP  67   0.355   9.468 -13.952
  403    HA   ASP  67           HA       ASP  67  -1.984  10.934 -14.572
  404    HB2  ASP  67           2HB      ASP  67  -2.642  11.357 -12.108
  405    H    GLY  68           H        GLY  68   0.328  10.732 -11.861
  406    HA2  GLY  68           2HA      GLY  68   2.395  11.961 -11.647
  407    H    GLN  69           H        GLN  69  -0.190  11.695 -10.254
  408    HA   GLN  69           HA       GLN  69  -1.150  14.215  -9.375
  409    HB2  GLN  69           2HB      GLN  69  -2.412  12.115  -9.485
  410    HG2  GLN  69           2HG      GLN  69  -2.286  13.030  -6.582
  411   HE21  GLN  69          2HE2      GLN  69  -3.202  10.411  -8.178
  412   HE22  GLN  69          1HE2      GLN  69  -4.837  10.231  -7.577
  413    H    THR  70           H        THR  70   1.605  12.308  -8.274
  414    HA   THR  70           HA       THR  70   2.183  14.313  -6.239
  415    HB   THR  70           HB       THR  70   0.657  12.784  -5.019
  416    HG1  THR  70           HG1      THR  70   2.014  12.543  -3.303
  417   HG21  THR  70          1HG2      THR  70   1.142  10.677  -6.299
  418   HG22  THR  70          2HG2      THR  70   2.737  10.606  -5.524
  419   HG23  THR  70          3HG2      THR  70   1.263  10.479  -4.549
  420    H    ASN  71           H        ASN  71   4.172  13.393  -4.976
  421    HA   ASN  71           HA       ASN  71   6.294  12.841  -6.994
  422    HB2  ASN  71           2HB      ASN  71   6.315  13.700  -4.108
  423   HD21  ASN  71          2HD2      ASN  71   6.379  15.950  -4.201
  424   HD22  ASN  71          1HD2      ASN  71   7.122  16.865  -5.502
  425    H    CYS  72           H        CYS  72   5.077  10.885  -7.410
  426    HA   CYS  72           HA       CYS  72   5.308   8.597  -5.631
  427    HB2  CYS  72           2HB      CYS  72   4.552   7.359  -7.680
  428    H    TYR  73           H        TYR  73   7.200   7.671  -5.155
  429    HA   TYR  73           HA       TYR  73   9.485   7.741  -7.075
  430    HB2  TYR  73           2HB      TYR  73   9.223   7.818  -4.078
  431    HD1  TYR  73           HD1      TYR  73   8.813  10.276  -4.994
  432    HD2  TYR  73           HD2      TYR  73  12.525   8.189  -5.100
  433    HE1  TYR  73           HE1      TYR  73  10.020  12.453  -4.986
  434    HE2  TYR  73           HE2      TYR  73  13.766  10.344  -5.149
  435    HH   TYR  73           HH       TYR  73  13.582  12.632  -4.976
  436    H    GLN  74           H        GLN  74  10.384   5.866  -7.728
  437    HA   GLN  74           HA       GLN  74   8.938   3.362  -7.155
  438    HB2  GLN  74           2HB      GLN  74   9.402   3.955  -9.490
  439    HG2  GLN  74           2HG      GLN  74  11.160   1.606  -8.672
  440   HE21  GLN  74          2HE2      GLN  74   8.886   0.417 -10.854
  441   HE22  GLN  74          1HE2      GLN  74   9.788   0.791 -12.297
  442    H    SER  75           H        SER  75   9.727   1.764  -5.879
  443    HA   SER  75           HA       SER  75  11.972   2.238  -4.265
  444    HB2  SER  75           2HB      SER  75  11.522   0.009  -3.358
  445    HG   SER  75           HG       SER  75  11.123  -1.319  -5.090
  446    H    LYS  76           H        LYS  76  13.944   1.176  -3.992
  447    HA   LYS  76           HA       LYS  76  15.613   1.205  -6.163
  448    HB2  LYS  76           2HB      LYS  76  17.206  -0.043  -4.748
  449    HG2  LYS  76           2HG      LYS  76  15.027  -0.063  -2.604
  450    HD2  LYS  76           2HD      LYS  76  17.972  -0.763  -2.651
  451    HE2  LYS  76           2HE      LYS  76  17.505  -2.017  -0.490
  452    HZ1  LYS  76           3HZ      LYS  76  16.932  -4.057  -1.520
  453    HZ2  LYS  76           1HZ      LYS  76  16.312  -3.344  -2.856
  454    HZ3  LYS  76           2HZ      LYS  76  17.933  -3.251  -2.546
  455    H    SER  77           H        SER  77  13.901  -1.605  -4.896
  456    HA   SER  77           HA       SER  77  14.606  -3.270  -7.237
  457    HB2  SER  77           2HB      SER  77  15.193  -5.132  -5.636
  458    HG   SER  77           HG       SER  77  14.283  -4.291  -3.731
  459    H    THR  78           H        THR  78  13.234  -5.507  -6.831
  460    HA   THR  78           HA       THR  78  10.496  -4.685  -6.488
  461    HB   THR  78           HB       THR  78  10.191  -7.231  -6.820
  462    HG1  THR  78           HG1      THR  78  12.121  -8.193  -7.674
  463   HG21  THR  78          1HG2      THR  78   9.944  -5.541  -8.644
  464   HG22  THR  78          2HG2      THR  78  11.690  -5.603  -8.941
  465   HG23  THR  78          3HG2      THR  78  10.682  -7.035  -9.241
  466    H    MET  79           H        MET  79   9.109  -5.289  -4.841
  467    HA   MET  79           HA       MET  79  10.268  -6.166  -2.269
  468    HB2  MET  79           2HB      MET  79   8.625  -3.679  -2.812
  469    HG2  MET  79           2HG      MET  79  11.460  -4.267  -1.847
  470    HE1  MET  79           3HE      MET  79  13.003  -0.807  -1.571
  471    HE2  MET  79           1HE      MET  79  13.250  -2.533  -1.230
  472    HE3  MET  79           2HE      MET  79  12.898  -1.987  -2.892
  473    H    ARG  80           H        ARG  80   8.269  -6.558  -0.750
  474    HA   ARG  80           HA       ARG  80   6.584  -8.475  -2.294
  475    HB2  ARG  80           2HB      ARG  80   7.631  -8.312   0.530
  476    HG2  ARG  80           2HG      ARG  80   8.190 -10.628   0.181
  477    HD2  ARG  80           2HD      ARG  80   9.478 -10.767  -1.907
  478    HE   ARG  80           HE       ARG  80  10.063  -8.887   0.063
  479   HH11  ARG  80          1HH2      ARG  80  10.696  -9.237  -3.400
  480   HH12  ARG  80          2HH2      ARG  80  11.844  -7.917  -3.442
  481   HH21  ARG  80          1HH1      ARG  80  11.938  -7.410   0.049
  482   HH22  ARG  80          2HH1      ARG  80  12.796  -7.213  -1.436
  483    H    ILE  81           H        ILE  81   4.402  -8.074  -2.519
  484    HA   ILE  81           HA       ILE  81   3.150  -5.983  -0.788
  485    HB   ILE  81           HB       ILE  81   2.481  -6.401  -3.679
  486   HG12  ILE  81          2HG1      ILE  81   3.720  -4.019  -3.846
  487   HG21  ILE  81          1HG2      ILE  81   0.807  -5.219  -2.333
  488   HG22  ILE  81          2HG2      ILE  81   2.043  -4.013  -1.887
  489   HG23  ILE  81          3HG2      ILE  81   1.506  -4.193  -3.570
  490   HD11  ILE  81          3HD1      ILE  81   5.713  -5.012  -4.738
  491   HD12  ILE  81          1HD1      ILE  81   5.246  -6.600  -4.107
  492   HD13  ILE  81          2HD1      ILE  81   4.249  -5.815  -5.338
  493    H    THR  82           H        THR  82   1.003  -6.267  -0.436
  494    HA   THR  82           HA       THR  82  -0.296  -8.821  -1.177
  495    HB   THR  82           HB       THR  82  -1.150  -8.615   1.346
  496    HG1  THR  82           HG1      THR  82   0.206  -7.719   2.684
  497   HG21  THR  82          1HG2      THR  82   0.232 -10.541   0.295
  498   HG22  THR  82          2HG2      THR  82   1.684  -9.626   0.709
  499   HG23  THR  82          3HG2      THR  82   0.623 -10.225   1.997
  500    H    ASP  83           H        ASP  83  -1.631  -7.798  -2.696
  501    HA   ASP  83           HA       ASP  83  -2.797  -5.253  -2.040
  502    HB2  ASP  83           2HB      ASP  83  -2.270  -5.803  -4.347
  503    H    CYS  84           H        CYS  84  -4.349  -5.112  -0.385
  504    HA   CYS  84           HA       CYS  84  -6.046  -7.462   0.061
  505    HB2  CYS  84           2HB      CYS  84  -4.857  -6.280   1.949
  506    H    ARG  85           H        ARG  85  -8.026  -7.595  -0.814
  507    HA   ARG  85           HA       ARG  85  -9.342  -5.119  -1.861
  508    HB2  ARG  85           2HB      ARG  85  -7.848  -6.490  -3.425
  509    HG2  ARG  85           2HG      ARG  85 -10.721  -6.654  -4.380
  510    HD2  ARG  85           2HD      ARG  85  -8.764  -7.381  -5.812
  511    HE   ARG  85           HE       ARG  85  -6.986  -5.841  -5.274
  512   HH11  ARG  85          1HH2      ARG  85  -9.484  -4.293  -7.275
  513   HH12  ARG  85          2HH2      ARG  85  -8.447  -2.972  -7.717
  514   HH21  ARG  85          1HH1      ARG  85  -5.781  -4.182  -5.684
  515   HH22  ARG  85          2HH1      ARG  85  -6.225  -2.851  -6.743
  516    H    GLU  86           H        GLU  86 -11.670  -5.246  -1.948
  517    HA   GLU  86           HA       GLU  86 -12.775  -7.316  -0.224
  518    HB2  GLU  86           2HB      GLU  86 -14.901  -6.349  -0.566
  519    HG2  GLU  86           2HG      GLU  86 -13.766  -4.200  -2.346
  520    H    THR  87           H        THR  87 -13.638  -9.155  -0.827
  521    HA   THR  87           HA       THR  87 -14.617  -9.685  -3.564
  522    HB   THR  87           HB       THR  87 -13.359 -11.733  -3.722
  523    HG1  THR  87           HG1      THR  87 -11.726 -12.068  -1.965
  524   HG21  THR  87          1HG2      THR  87 -12.189  -9.588  -4.345
  525   HG22  THR  87          2HG2      THR  87 -11.375  -9.637  -2.763
  526   HG23  THR  87          3HG2      THR  87 -11.118 -10.939  -3.942
  527    H    GLY  88           H        GLY  88 -14.753 -12.558  -2.482
  528    HA2  GLY  88           2HA      GLY  88 -16.529 -13.837  -1.704
  529    H    SER  89           H        SER  89 -17.981 -11.603  -2.556
  530    HA   SER  89           HA       SER  89 -20.026 -10.650  -2.293
  531    HB2  SER  89           2HB      SER  89 -20.458 -12.674  -0.057
  532    HG   SER  89           HG       SER  89 -21.292 -13.938  -1.772
  533    H    SER  90           H        SER  90 -17.948  -9.290  -1.173
  534    HA   SER  90           HA       SER  90 -18.025  -8.259   1.349
  535    HB2  SER  90           2HB      SER  90 -17.216  -6.183   0.157
  536    HG   SER  90           HG       SER  90 -17.347  -6.148  -1.959
  537    H    LYS  91           H        LYS  91 -19.837  -7.809   2.479
  538    HA   LYS  91           HA       LYS  91 -21.854  -5.874   1.430
  539    HB2  LYS  91           2HB      LYS  91 -22.189  -8.678   2.549
  540    HG2  LYS  91           2HG      LYS  91 -22.224  -8.456   0.097
  541    HD2  LYS  91           2HD      LYS  91 -23.025  -6.290  -0.415
  542    HE2  LYS  91           2HE      LYS  91 -24.439  -5.729   1.500
  543    HZ1  LYS  91           3HZ      LYS  91 -26.620  -6.685   1.689
  544    HZ2  LYS  91           1HZ      LYS  91 -26.346  -7.711   0.431
  545    HZ3  LYS  91           2HZ      LYS  91 -25.485  -7.866   1.828
  546    H    TYR  92           H        TYR  92 -20.533  -4.415   2.728
  547    HA   TYR  92           HA       TYR  92 -19.890  -4.493   5.376
  548    HB2  TYR  92           2HB      TYR  92 -19.400  -2.572   4.005
  549    HD1  TYR  92           HD1      TYR  92 -18.408  -2.215   6.310
  550    HD2  TYR  92           HD2      TYR  92 -22.424  -1.004   5.340
  551    HE1  TYR  92           HE1      TYR  92 -18.581  -1.009   8.486
  552    HE2  TYR  92           HE2      TYR  92 -22.597   0.180   7.498
  553    HH   TYR  92           HH       TYR  92 -21.543   0.733   9.457
  554    HA   PRO  93           HA       PRO  93 -20.061  -3.873   7.646
  555    HB2  PRO  93           2HB      PRO  93 -20.630  -5.340   9.824
  556    HG2  PRO  93           2HG      PRO  93 -22.687  -6.273   9.028
  557    HD2  PRO  93           2HD      PRO  93 -23.910  -5.205   7.312
  558    H    ASN  94           H        ASN  94 -21.529  -6.755   6.357
  559    HA   ASN  94           HA       ASN  94 -19.357  -8.594   7.140
  560    HB2  ASN  94           2HB      ASN  94 -22.007  -8.770   5.702
  561   HD21  ASN  94          2HD2      ASN  94 -21.663  -8.431   8.434
  562   HD22  ASN  94          1HD2      ASN  94 -21.954  -9.974   9.228
  563    H    CYS  95           H        CYS  95 -17.937  -6.673   6.210
  564    HA   CYS  95           HA       CYS  95 -17.518  -6.917   3.295
  565    HB2  CYS  95           2HB      CYS  95 -15.874  -5.534   5.432
  566    H    ALA  96           H        ALA  96 -15.658  -7.941   2.370
  567    HA   ALA  96           HA       ALA  96 -14.620 -10.306   3.878
  568    HB1  ALA  96           3HB      ALA  96 -15.334 -11.616   1.842
  569    HB2  ALA  96           1HB      ALA  96 -16.701 -10.951   2.772
  570    HB3  ALA  96           2HB      ALA  96 -16.193 -10.170   1.273
  571    H    TYR  97           H        TYR  97 -12.431  -9.810   3.776
  572    HA   TYR  97           HA       TYR  97 -11.337  -8.465   1.345
  573    HB2  TYR  97           2HB      TYR  97 -10.416  -8.737   4.202
  574    HD1  TYR  97           HD1      TYR  97  -9.838  -5.993   1.795
  575    HD2  TYR  97           HD2      TYR  97 -12.414  -7.330   4.966
  576    HE1  TYR  97           HE1      TYR  97 -10.034  -3.668   2.602
  577    HE2  TYR  97           HE2      TYR  97 -12.810  -4.977   5.636
  578    HH   TYR  97           HH       TYR  97 -11.763  -2.831   5.602
  579    H    LYS  98           H        LYS  98  -9.832  -9.494   0.037
  580    HA   LYS  98           HA       LYS  98  -8.335 -11.809   1.160
  581    HB2  LYS  98           2HB      LYS  98  -8.483 -13.152  -0.642
  582    HG2  LYS  98           2HG      LYS  98  -9.280 -10.859  -2.471
  583    HD2  LYS  98           2HD      LYS  98  -8.510 -13.780  -2.984
  584    HE2  LYS  98           2HE      LYS  98  -8.991 -11.506  -4.982
  585    HZ1  LYS  98           3HZ      LYS  98  -8.279 -13.113  -6.585
  586    HZ2  LYS  98           1HZ      LYS  98  -8.156 -14.295  -5.453
  587    HZ3  LYS  98           2HZ      LYS  98  -9.633 -13.670  -5.837
  588    H    THR  99           H        THR  99  -6.162 -11.847   0.627
  589    HA   THR  99           HA       THR  99  -5.066  -9.355  -0.522
  590    HB   THR  99           HB       THR  99  -4.190 -11.111   1.620
  591    HG1  THR  99           HG1      THR  99  -4.367  -8.942   1.952
  592   HG21  THR  99          1HG2      THR  99  -2.485 -11.932  -0.022
  593   HG22  THR  99          2HG2      THR  99  -2.066 -10.247  -0.371
  594   HG23  THR  99          3HG2      THR  99  -1.819 -10.934   1.258
  595    H    THR 100           H        THR 100  -4.151  -9.291  -2.485
  596    HA   THR 100           HA       THR 100  -3.527 -11.868  -3.887
  597    HB   THR 100           HB       THR 100  -3.708  -9.108  -5.127
  598    HG1  THR 100           HG1      THR 100  -5.687  -9.602  -4.225
  599   HG21  THR 100          1HG2      THR 100  -2.508 -10.852  -6.424
  600   HG22  THR 100          2HG2      THR 100  -3.919 -11.926  -6.277
  601   HG23  THR 100          3HG2      THR 100  -4.048 -10.404  -7.181
  602    H    GLN 101           H        GLN 101  -1.484 -12.428  -3.255
  603    HA   GLN 101           HA       GLN 101   0.478 -10.495  -2.419
  604    HB2  GLN 101           2HB      GLN 101   0.179 -12.899  -1.604
  605    HG2  GLN 101           2HG      GLN 101   2.897 -11.826  -2.452
  606   HE21  GLN 101          2HE2      GLN 101   1.223 -14.484  -0.653
  607   HE22  GLN 101          1HE2      GLN 101   2.688 -15.445  -0.499
  608    H    VAL 102           H        VAL 102   2.106  -9.494  -3.721
  609    HA   VAL 102           HA       VAL 102   2.923 -10.831  -6.194
  610    HB   VAL 102           HB       VAL 102   2.723  -8.746  -7.551
  611   HG11  VAL 102          1HG1      VAL 102   1.138 -10.594  -7.860
  612   HG12  VAL 102          2HG1      VAL 102   0.005  -9.776  -6.748
  613   HG13  VAL 102          3HG1      VAL 102   0.483  -9.001  -8.265
  614   HG21  VAL 102          3HG2      VAL 102   1.060  -7.032  -6.920
  615   HG22  VAL 102          1HG2      VAL 102   0.854  -7.793  -5.333
  616   HG23  VAL 102          2HG2      VAL 102   2.417  -7.079  -5.792
  617    H    GLU 103           H        GLU 103   4.714  -9.661  -7.200
  618    HA   GLU 103           HA       GLU 103   6.594  -8.408  -5.295
  619    HB2  GLU 103           2HB      GLU 103   8.361  -9.614  -6.464
  620    HG2  GLU 103           2HG      GLU 103   7.457 -10.247  -8.606
  621    H    LYS 104           H        LYS 104   6.997  -6.332  -5.930
  622    HA   LYS 104           HA       LYS 104   7.480  -5.635  -8.735
  623    HB2  LYS 104           2HB      LYS 104   4.986  -4.736  -7.242
  624    HG2  LYS 104           2HG      LYS 104   4.276  -4.870  -9.844
  625    HD2  LYS 104           2HD      LYS 104   4.151  -7.051  -7.755
  626    HE2  LYS 104           2HE      LYS 104   2.377  -7.955  -9.541
  627    HZ1  LYS 104           3HZ      LYS 104   4.308  -8.985 -10.882
  628    HZ2  LYS 104           1HZ      LYS 104   5.299  -8.271  -9.761
  629    HZ3  LYS 104           2HZ      LYS 104   4.252  -9.384  -9.304
  630    H    HIS 105           H        HIS 105   8.107  -3.242  -8.802
  631    HA   HIS 105           HA       HIS 105   9.576  -2.519  -6.355
  632    HB2  HIS 105           2HB      HIS 105   8.727  -0.623  -8.563
  633    HD1  HIS 105           HD1      HIS 105   9.205  -2.201 -10.633
  634    HD2  HIS 105           HD2      HIS 105  12.433  -1.438  -8.032
  635    HE1  HIS 105           HE1      HIS 105  11.367  -2.786 -11.947
  636    HE2  HIS 105           HE2      HIS 105  13.318  -2.313 -10.327
  637    H    ILE 106           H        ILE 106   8.579  -1.273  -4.686
  638    HA   ILE 106           HA       ILE 106   5.660  -0.733  -4.983
  639    HB   ILE 106           HB       ILE 106   5.836   0.221  -2.700
  640   HG12  ILE 106          2HG1      ILE 106   8.650  -0.892  -2.720
  641   HG21  ILE 106          1HG2      ILE 106   4.997  -2.019  -3.157
  642   HG22  ILE 106          2HG2      ILE 106   6.633  -2.691  -3.112
  643   HG23  ILE 106          3HG2      ILE 106   5.892  -2.036  -1.640
  644   HD11  ILE 106          3HD1      ILE 106   8.741   0.065  -0.412
  645   HD12  ILE 106          1HD1      ILE 106   6.975   0.247  -0.448
  646   HD13  ILE 106          2HD1      ILE 106   7.723  -1.374  -0.527
  647    H    ILE 107           H        ILE 107   4.890   1.295  -5.400
  648    HA   ILE 107           HA       ILE 107   6.866   3.424  -5.949
  649    HB   ILE 107           HB       ILE 107   4.046   3.331  -7.000
  650   HG12  ILE 107          2HG1      ILE 107   5.140   1.349  -7.917
  651   HG21  ILE 107          1HG2      ILE 107   5.208   5.487  -6.848
  652   HG22  ILE 107          2HG2      ILE 107   6.524   4.887  -7.850
  653   HG23  ILE 107          3HG2      ILE 107   4.888   5.028  -8.535
  654   HD11  ILE 107          3HD1      ILE 107   6.942   1.481  -9.497
  655   HD12  ILE 107          1HD1      ILE 107   7.237   3.175  -9.077
  656   HD13  ILE 107          2HD1      ILE 107   7.452   1.885  -7.851
  657    H    VAL 108           H        VAL 108   6.850   4.932  -4.260
  658    HA   VAL 108           HA       VAL 108   4.300   5.222  -2.741
  659    HB   VAL 108           HB       VAL 108   5.154   5.038  -0.688
  660   HG11  VAL 108          1HG1      VAL 108   5.300   2.845  -1.839
  661   HG12  VAL 108          2HG1      VAL 108   7.026   3.146  -2.154
  662   HG13  VAL 108          3HG1      VAL 108   6.436   3.005  -0.489
  663   HG21  VAL 108          3HG2      VAL 108   7.569   5.101  -0.054
  664   HG22  VAL 108          1HG2      VAL 108   7.936   5.667  -1.699
  665   HG23  VAL 108          2HG2      VAL 108   6.899   6.633  -0.627
  666    H    ALA 109           H        ALA 109   3.808   7.178  -1.908
  667    HA   ALA 109           HA       ALA 109   4.729   9.444  -3.481
  668    HB1  ALA 109           3HB      ALA 109   2.921  10.605  -2.373
  669    HB2  ALA 109           1HB      ALA 109   2.329   8.990  -2.856
  670    HB3  ALA 109           2HB      ALA 109   2.797   9.317  -1.171
  671    H    CYS 110           H        CYS 110   6.528  10.529  -2.829
  672    HA   CYS 110           HA       CYS 110   7.457  10.444  -0.007
  673    HB2  CYS 110           2HB      CYS 110   8.952   9.925  -2.018
  674    H    GLY 111           H        GLY 111   7.766  12.384   1.202
  675    HA2  GLY 111           2HA      GLY 111   7.570  15.022   0.289
  676    H    GLY 112           H        GLY 112   5.715  15.891   2.410
  677    HA2  GLY 112           2HA      GLY 112   5.606  16.346   4.641
  678    H    LYS 113           H        LYS 113   7.857  17.417   3.520
  679    HA   LYS 113           HA       LYS 113  10.294  17.189   3.889
  680    HB2  LYS 113           2HB      LYS 113  10.653  19.514   4.553
  681    HG2  LYS 113           2HG      LYS 113   7.605  19.632   4.772
  682    HD2  LYS 113           2HD      LYS 113   9.784  21.766   4.924
  683    HE2  LYS 113           2HE      LYS 113   6.743  22.014   5.183
  684    HZ1  LYS 113           3HZ      LYS 113   7.236  24.295   5.685
  685    HZ2  LYS 113           1HZ      LYS 113   8.841  24.074   5.422
  686    HZ3  LYS 113           2HZ      LYS 113   7.774  23.943   4.174
  687    HA   PRO 114           HA       PRO 114  12.482  16.943   4.542
  688    HB2  PRO 114           2HB      PRO 114  13.972  14.825   5.452
  689    HG2  PRO 114           2HG      PRO 114  12.398  14.160   7.162
  690    HD2  PRO 114           2HD      PRO 114  10.920  15.728   8.118
  691    H    SER 115           H        SER 115  13.304  14.866   3.284
  692    HA   SER 115           HA       SER 115  11.135  13.749   1.808
  693    HB2  SER 115           2HB      SER 115  13.552  14.124   1.086
  694    HG   SER 115           HG       SER 115  13.757  12.003   0.074
  695    H    VAL 116           H        VAL 116   9.598  12.751   3.182
  696    HA   VAL 116           HA       VAL 116  10.468  10.026   3.981
  697    HB   VAL 116           HB       VAL 116   9.016  10.090   5.924
  698   HG11  VAL 116          1HG1      VAL 116  11.409  10.784   6.103
  699   HG12  VAL 116          2HG1      VAL 116  10.907  12.478   5.941
  700   HG13  VAL 116          3HG1      VAL 116  10.368  11.530   7.335
  701   HG21  VAL 116          3HG2      VAL 116   8.003  12.167   6.747
  702   HG22  VAL 116          1HG2      VAL 116   8.520  13.022   5.286
  703   HG23  VAL 116          2HG2      VAL 116   7.319  11.723   5.178
  704    HA   PRO 117           HA       PRO 117   7.024   8.870   1.465
  705    HB2  PRO 117           2HB      PRO 117   6.490   6.356   2.288
  706    HG2  PRO 117           2HG      PRO 117   7.694   6.565   4.457
  707    HD2  PRO 117           2HD      PRO 117   9.430   8.071   4.718
  708    H    VAL 118           H        VAL 118   4.970   9.560   1.572
  709    HA   VAL 118           HA       VAL 118   3.554   9.648   4.215
  710    HB   VAL 118           HB       VAL 118   2.527  11.742   3.441
  711   HG11  VAL 118          1HG1      VAL 118   4.493  11.756   4.938
  712   HG12  VAL 118          2HG1      VAL 118   5.559  11.880   3.521
  713   HG13  VAL 118          3HG1      VAL 118   4.417  13.184   3.890
  714   HG21  VAL 118          3HG2      VAL 118   3.470  13.007   1.574
  715   HG22  VAL 118          1HG2      VAL 118   4.611  11.707   1.201
  716   HG23  VAL 118          2HG2      VAL 118   2.867  11.457   0.967
  717    H    HIS 119           H        HIS 119   3.294   8.538   0.924
  718    HA   HIS 119           HA       HIS 119   0.708   7.429   1.633
  719    HB2  HIS 119           2HB      HIS 119   0.267   9.727   0.520
  720    HD1  HIS 119           HD1      HIS 119  -1.039   7.146  -1.991
  721    HD2  HIS 119           HD2      HIS 119  -2.027   8.962   1.706
  722    HE1  HIS 119           HE1      HIS 119  -3.536   6.755  -1.634
  723    HE2  HIS 119           HE2      HIS 119  -4.136   7.844   0.623
  724    H    PHE 120           H        PHE 120   0.118   5.751  -0.057
  725    HA   PHE 120           HA       PHE 120   2.532   4.623  -1.430
  726    HB2  PHE 120           2HB      PHE 120   1.652   2.967  -0.041
  727    HD1  PHE 120           HD1      PHE 120   2.918   1.591  -1.648
  728    HD2  PHE 120           HD2      PHE 120  -1.171   2.752  -2.433
  729    HE1  PHE 120           HE1      PHE 120   2.744  -0.153  -3.393
  730    HE2  PHE 120           HE2      PHE 120  -1.306   1.038  -4.212
  731    HZ   PHE 120           HZ       PHE 120   0.636  -0.445  -4.660
  732    H    ASP 121           H        ASP 121   2.424   4.411  -3.724
  733    HA   ASP 121           HA       ASP 121   0.219   5.955  -5.018
  734    HB2  ASP 121           2HB      ASP 121   2.458   6.871  -5.310
  735    H    ALA 122           H        ALA 122   2.377   3.126  -5.667
  736    HA   ALA 122           HA       ALA 122   0.251   1.415  -6.615
  737    HB1  ALA 122           3HB      ALA 122   0.897   1.453  -9.016
  738    HB2  ALA 122           1HB      ALA 122   0.327   3.049  -8.513
  739    HB3  ALA 122           2HB      ALA 122   2.065   2.751  -8.685
  740    H    SER 123           H        SER 123   1.699  -0.366  -8.172
  741    HA   SER 123           HA       SER 123   4.411  -0.543  -7.078
  742    HB2  SER 123           2HB      SER 123   2.734  -3.041  -7.034
  743    HG   SER 123           HG       SER 123   2.480  -2.692  -4.817
  744    H    VAL 124           H        VAL 124   5.775  -0.935  -8.778
  745    HA   VAL 124           HA       VAL 124   5.304  -3.010 -10.563
  746    HB   VAL 124           HB       VAL 124   4.023  -0.748 -11.546
  747   HG11  VAL 124          1HG1      VAL 124   6.097   0.310 -12.291
  748   HG12  VAL 124          2HG1      VAL 124   6.545  -1.163 -13.190
  749   HG13  VAL 124          3HG1      VAL 124   5.115  -0.227 -13.658
  750   HG21  VAL 124          3HG2      VAL 124   3.677  -2.213 -13.512
  751   HG22  VAL 124          1HG2      VAL 124   4.993  -3.270 -12.956
  752   HG23  VAL 124          2HG2      VAL 124   3.510  -3.111 -11.998