*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   23-JUN-03   1PU1              
*TITLE     SOLUTION STRUCTURE OF THE HYPOTHETICAL PROTEIN MTH677 FROM            
*TITLE    2 METHANOTHERMOBACTER THERMAUTOTROPHICUS                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN MTH677;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER                             
*SOURCE   3 THERMAUTOTROPHICUS;                                                  
*SOURCE   4 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   5 GENE: MTH677;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    STRUCTURAL GENOMICS, ALPHA AND BETA PROTEIN (A+B)                     
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    F.J.BLANCO, A.YEE, R.CAMPOS-OLIVAS, D.DEVOS, A.VALENCIA,              
*AUTHOR   2 C.H.ARROWSMITH, M.RICO                                               
*REVDAT   1   08-JUN-04 1PU1    0                                                

#
#   3 LEU  HA      3 LEU  QD1     5.00  1.00E-01   (#peak  2867 #SUP  4.39)
 &rst
  ixpk= 2867, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HA      3 LEU  QD2     5.00  1.00E-01   (#peak  2885 #SUP  4.47)
 &rst
  ixpk= 2885, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  45,  46,  47,  41,  42,  43,
 &end
#
#   3 LEU  HB3     4 ARG+ HN      3.50  1.00E-01   (#peak  1435 #SUP  3.46)
 &rst
  ixpk= 1435, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  37,  36,
 &end
#
#   3 LEU  HB3    89 PHE  HB3     5.00  1.00E-01   (#peak  2426 #SUP  2.31)
 &rst
  ixpk= 2426, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  37,  36,
 igr2=1373,1372,
 &end
#
#   3 LEU  HG      4 ARG+ HN      5.00             (#peak  1392 #SUP  4.02)
 &rst
  ixpk= 1392, nxpk= 0, iat=  39,  51, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  QD1     6 LEU  HG      5.00  1.00E-01   (#peak  2172 #SUP  1.50)
 &rst
  ixpk= 2172, nxpk= 0, iat=  -1, 104, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  QD1     6 LEU  QD1     5.00  1.00E-01   (#peak  2174 #SUP  4.71)
 &rst
  ixpk= 2174, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   3 LEU  QD1     6 LEU  QD2     5.00  1.00E-01   (#peak  2342 #SUP  2.96)
 &rst
  ixpk= 2342, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   3 LEU  QD1    89 PHE  HB2     5.50  1.00E-01   (#peak  2169 #SUP  1.26)
 &rst
  ixpk= 2169, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2=1372,1373,
 &end
#
#   3 LEU  QD2     6 LEU  QD2     5.00  1.00E-01   (#peak  2343 #SUP  2.00)
 &rst
  ixpk= 2343, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   3 LEU  QD2    89 PHE  HB2     5.00  1.00E-01   (#peak  2205 #SUP  5.87)
 &rst
  ixpk= 2205, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1372,1373,
 &end
#
#   3 LEU  QD2    89 PHE  HB3     5.00  1.00E-01   (#peak  2425 #SUP  4.01)
 &rst
  ixpk= 2425, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1373,1372,
 &end
#
#   4 ARG+ HA      5 LYS+ HB3     5.50  1.00E-01   (#peak  2735 #SUP  2.26)
 &rst
  ixpk= 2735, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  80,  79,
 &end
#
#   4 ARG+ HB2    10 ASP- HB3     5.50  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56,
 &end
#
#   5 LYS+ HD3     6 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  86,  85,
 &end
#
#   5 LYS+ HG2     6 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  82,  83,
 &end
#
#   6 LEU  HA      6 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   6 LEU  HA      6 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HA     10 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   6 LEU  HA     10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  99, 157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   6 LEU  HB3    10 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 102, 101,
 &end
#
#   6 LEU  HB3    10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 102, 101,
 &end
#
#   6 LEU  QD2    10 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HB3    11 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 102, 101,
 &end
#
#   6 LEU  HB3    11 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2735, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 102, 101,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#   6 LEU  QD1    14 ILE  QD1     5.50  1.00E-01   (#peak  2327 #SUP  2.55)
 &rst
  ixpk= 2327, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2= 223, 224, 225,
 &end
#
#   6 LEU  QD2    14 ILE  HG13    5.50  1.00E-01   (#peak  2338 #SUP  1.67)
 &rst
  ixpk= 2338, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 221, 220,
 &end
#
#   7 THR  HA      8 GLU- HB3     5.50  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 135, 134,
 &end
#
#   7 THR  HB      8 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 120, 130, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HB      9 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2338, nxpk= 0, iat= 120, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HA     11 LEU  HB2     5.50  1.00E-01   (#peak  3111 #SUP  1.50)
 &rst
  ixpk= 3111, nxpk= 0, iat= 132, 168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#   8 GLU- HA     11 LEU  HG      5.50  1.00E-01   (#peak  3106 #SUP  1.49)
 &rst
  ixpk= 3106, nxpk= 0, iat= 132, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLU- HA     11 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 3106, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HG2    11 LEU  QD1     5.50             (#peak  2210 #SUP  1.76)
 &rst
  ixpk= 2210, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 137, 138,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   9 GLY  HN     11 LEU  QD1     5.50  1.00E-01   (#peak  1569 #SUP  2.83)
 &rst
  ixpk= 1569, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#  10 ASP- HA     13 GLU- HB2     5.50  1.00E-01   (#peak  2585 #SUP  1.39)
 &rst
  ixpk= 2585, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 199, 200,
 &end
#
#  10 ASP- HA     13 GLU- HB3     3.50  1.00E-01
 &rst
  ixpk= 2585, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 200, 199,
 &end
#
#  10 ASP- HB2    14 ILE  QD1     5.50  1.00E-01   (#peak  2348 #SUP  1.66)
 &rst
  ixpk= 2348, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  HN     13 GLU- HB3     5.50  1.00E-01   (#peak  1278 #SUP  1.76)
 &rst
  ixpk= 1278, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 200, 199,
 &end
#
#  11 LEU  QD2    14 ILE  HB      5.50  1.00E-01   (#peak  2313 #SUP  0.75)
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  HB2    44 VAL  QG1     5.00  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  11 LEU  QD1    46 TYR  HB2     5.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  QD2    46 TYR  HB2     5.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  13 GLU- HA     16 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 245, 244,
 &end
#
#  14 ILE  HA     17 PHE  HB2     5.00  1.00E-01
 &rst
  ixpk= 2313, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 255, 256,
 &end
#
#  14 ILE  HA     17 PHE  HB3     5.50  1.00E-01   (#peak  2527 #SUP  1.83)
 &rst
  ixpk= 2527, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 256, 255,
 &end
#
#  14 ILE  HB     17 PHE  HN      5.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 214, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15 SER  HN     15 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 234, 233,
 &end
#
#  15 SER  HB3    44 VAL  HB      5.00  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 234, 233,
 &end
#
#  15 SER  HB3    44 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 234, 233,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  15 SER  HN     44 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 2527, nxpk= 0, iat= 229, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 SER  HA     20 ASN  HB3     5.50  1.00E-01   (#peak  2515 #SUP  1.60)
 &rst
  ixpk= 2515, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 312, 311,
 &end
#
#  16 SER  HB3    19 HIS+ HB3     5.50  1.00E-01   (#peak  2462 #SUP  2.38)
 &rst
  ixpk= 2462, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 245, 244,
 igr2= 295, 294,
 &end
#
#  17 PHE  HB2    18 LEU  HG      5.50  1.00E-01
 &rst
  ixpk= 2462, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 255, 256,
 &end
#
#  17 PHE  HB2    18 LEU  QD1     5.50  1.00E-01   (#peak  2262 #SUP  4.97)
 &rst
  ixpk= 2262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 255, 256,
 igr2= 280, 281, 282, 284, 285, 286,
 &end
#
#  18 LEU  HB2    19 HIS+ HA      5.50             (#peak  2875 #SUP  3.88)
 &rst
  ixpk= 2875, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  18 LEU  HG     21 THR  HB      5.50  1.00E-01   (#peak  2672 #SUP  1.78)
 &rst
  ixpk= 2672, nxpk= 0, iat= 278, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 LEU  QD2    21 THR  HB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  HB2    22 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 348, 349, 350,
 &end
#
#  18 LEU  QD2    22 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 348, 349, 350,
 &end
#
#  18 LEU  HB3    54 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 873, 874,
 &end
#
#  18 LEU  HA     78 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  18 LEU  QD2    78 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  QD2    82 LEU  HB2     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1269,1270,
 &end
#
#  18 LEU  QD2    82 LEU  HB3     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1270,1269,
 &end
#
#  19 HIS+ HD2    20 ASN  HN      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HN     20 ASN  HB3     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 312, 311,
 &end
#
#  19 HIS+ HA     22 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HA     22 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 345, 346,
 &end
#
#  19 HIS+ HA     22 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2672, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 348, 349, 350,
 &end
#
#  19 HIS+ HN     22 ILE  HG12    5.50  1.00E-01   (#peak   573 #SUP  1.50)
 &rst
  ixpk= 573, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 345, 346,
 &end
#
#  19 HIS+ HA     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 573, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HA     42 VAL  QG1     5.50  1.00E-01
 &rst
  ixpk= 573, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  19 HIS+ HN     42 VAL  QG1     5.50  1.00E-01   (#peak   570 #SUP  1.43)
 &rst
  ixpk= 570, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  20 ASN  HN     20 ASN  HD21    5.50  1.00E-01   (#peak   262 #SUP  3.78)
 &rst
  ixpk= 262, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 316, 317,
 &end
#
#  20 ASN  HN     20 ASN  HD22    5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 317, 316,
 &end
#
#  20 ASN  HB3    20 ASN  HD22    3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 312, 311,
 igr2= 317, 316,
 &end
#
#  20 ASN  HB3    21 THR  HA      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 312, 311,
 &end
#
#  20 ASN  HA     23 SER  HB3     3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 359, 358,
 &end
#
#  21 THR  HB     22 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR  HN     23 SER  HB3     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 359, 358,
 &end
#
#  21 THR  HB     78 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  QD1    23 SER  HN      5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 348, 349, 350,
 &end
#
#  22 ILE  HB     25 PHE  HB3     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  22 ILE  HA     26 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 410, 411, 412,
 &end
#
#  22 ILE  HB     26 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 410, 411, 412,
 &end
#
#  22 ILE  HB     40 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 646, 647, 648,
 &end
#
#  22 ILE  HN     40 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 646, 647, 648,
 &end
#
#  22 ILE  QD1    40 ILE  HG13    5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 348, 349, 350,
 igr2= 644, 643,
 &end
#
#  22 ILE  HG13   74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 262, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 346, 345,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  HG13   78 ALA  QB      3.84             (#peak  2133 #SUP  3.43)
 &rst
  ixpk= 2133, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 346, 345,
 igr2=1203,1204,1205,
 &end
#
#  23 SER  HA     26 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 410, 411, 412,
 &end
#
#  23 SER  HA     27 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 SER  HA     27 LEU  QD2     5.50  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 429, 430, 431, 425, 426, 427,
 &end
#
#  23 SER  HA     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  23 SER  HN     40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2133, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  24 ASP- HA     27 LEU  HG      5.50  1.00E-01   (#peak  2730 #SUP  3.17)
 &rst
  ixpk= 2730, nxpk= 0, iat= 367, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ASP- HA     27 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 429, 430, 431, 425, 426, 427,
 &end
#
#  25 PHE  HA     26 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 408, 407,
 &end
#
#  25 PHE  HN     27 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 377, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     29 ARG+ HB2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 461, 462,
 &end
#
#  25 PHE  HB3    74 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 382,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  HB3    74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HA     29 ARG+ HB2     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 461, 462,
 &end
#
#  26 ILE  HA     29 ARG+ HB3     5.00  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 462, 461,
 &end
#
#  26 ILE  QD1    38 ILE  HA      5.50  1.00E-01
 &rst
  ixpk= 2730, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 410, 411, 412,
 &end
#
#  26 ILE  HB     40 ILE  QD1     5.50  1.00E-01   (#peak  1978 #SUP  1.98)
 &rst
  ixpk= 1978, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  HG13   40 ILE  QD1     5.50             (#peak  1947 #SUP  1.62)
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 407,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  QD1    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 410, 411, 412,
 igr2= 646, 647, 648,
 &end
#
#  26 ILE  HG12   71 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 407, 408,
 &end
#
#  26 ILE  QD1    71 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 410, 411, 412,
 &end
#
#  26 ILE  HA     74 ALA  QB      5.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HG12   74 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 407, 408,
 igr2=1155,1156,1157,
 &end
#
#  27 LEU  HA     27 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HB3    27 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 421, 420,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HN     27 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS+ HA     28 LYS+ HD3     5.00  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 446, 445,
 &end
#
#  28 LYS+ HA     28 LYS+ HG2     3.50  1.00E-01
 &rst
  ixpk= 1947, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 442, 443,
 &end
#
#  29 ARG+ HA     29 ARG+ HD2     5.50             (#peak  2543 #SUP  4.83)
 &rst
  ixpk= 2543, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 467, 468,
 &end
#
#  29 ARG+ HA     29 ARG+ HG3     3.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 465, 464,
 &end
#
#  29 ARG+ HB2    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 461, 462,
 igr2=1102,1103,1104,
 &end
#
#  29 ARG+ HB3    70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 462, 461,
 igr2=1102,1103,1104,
 &end
#
#  29 ARG+ HB3    70 ILE  HG12    5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 462, 461,
 igr2=1099,1100,
 &end
#
#  29 ARG+ HD3    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 468, 467,
 igr2=1102,1103,1104,
 &end
#
#  30 VAL  HA     30 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    32 ALA  HA      5.50  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    34 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 545, 544,
 &end
#
#  30 VAL  QG1    34 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 487, 488, 489, 491, 492, 493,
 igr2= 547, 548,
 &end
#
#  30 VAL  QG1    34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  30 VAL  QG1    35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 487, 488, 489, 491, 492, 493,
 &end
#
#  31 SER  HB2    32 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 2543, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#  31 SER  HB2    33 LYS+ HB3     5.50  1.00E-01   (#peak  3213 #SUP  1.72)
 &rst
  ixpk= 3213, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 501, 502,
 igr2= 523, 522,
 &end
#
#  31 SER  HB3    33 LYS+ HD3     5.50  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 501,
 igr2= 529, 528,
 &end
#
#  31 SER  HN     34 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 545, 544,
 &end
#
#  32 ALA  HA     34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 510, 540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 ALA  HN     34 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 3213, nxpk= 0, iat= 508, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 ALA  HN     35 ILE  HG13    5.50             (#peak  1428 #SUP  3.87)
 &rst
  ixpk= 1428, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 565,
 &end
#
#  32 ALA  HN     35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat= 508, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 ALA  HN     35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 568, 569, 570,
 &end
#
#  33 LYS+ HG3    33 LYS+ HD3     2.90  1.00E-01
 &rst
  ixpk= 1428, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 526, 525,
 igr2= 529, 528,
 &end
#
#  33 LYS+ HG2    34 GLU- HG2     5.50  1.00E-01   (#peak  1920 #SUP  4.11)
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 547, 548,
 &end
#
#  33 LYS+ HG3    34 GLU- HN      5.00  1.00E-01
 &rst
  ixpk= 1920, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 525,
 &end
#
#  34 GLU- HB3    35 ILE  HG12    5.50  1.00E-01   (#peak  2299 #SUP  3.42)
 &rst
  ixpk= 2299, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 545, 544,
 igr2= 565, 566,
 &end
#
#  34 GLU- HG3    35 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 548, 547,
 igr2= 566, 565,
 &end
#
#  34 GLU- HN     35 ILE  HG13    5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 565,
 &end
#
#  34 GLU- HN     35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2299, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 568, 569, 570,
 &end
#
#  34 GLU- HA     60 LEU  QD1     5.50  1.00E-01   (#peak  3016 #SUP  2.34)
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 967, 968, 969, 971, 972, 973,
 &end
#
#  34 GLU- HA     61 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 981, 982,
 &end
#
#  34 GLU- HA     61 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 982, 981,
 &end
#
#  35 ILE  HA     35 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 568, 569, 570,
 &end
#
#  35 ILE  HN     36 VAL  HN      5.00  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat= 555, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 ILE  QD1    36 VAL  HN      5.50  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 568, 569, 570,
 &end
#
#  35 ILE  QD1    58 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 3016, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 568, 569, 570,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  35 ILE  QD1    59 TYR  HN      5.50             (#peak  1622 #SUP  2.35)
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 568, 569, 570,
 &end
#
#  36 VAL  HA     36 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  HB     59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  HB     59 TYR  HB3     3.50  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  36 VAL  HB     59 TYR  HN      5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 578, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  HN     59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 574, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  HN     59 TYR  HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 574, 942, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  36 VAL  QG1    59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  QG1    59 TYR  HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 &end
#
#  36 VAL  QG1    61 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 580, 581, 582, 584, 585, 586,
 igr2= 982, 981,
 &end
#
#  37 ASP- HB2    59 TYR  HB2     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 &end
#
#  38 ILE  HA     38 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 615, 616, 617,
 &end
#
#  38 ILE  QD1    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 615, 616, 617,
 igr2= 646, 647, 648,
 &end
#
#  39 ASP- HN     40 ILE  HG13    5.00  1.00E-01
 &rst
  ixpk= 1622, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 644, 643,
 &end
#
#  39 ASP- HB2    57 GLU- HB3     5.50  1.00E-01   (#peak  2014 #SUP  2.00)
 &rst
  ixpk= 2014, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 908, 907,
 &end
#
#  39 ASP- HB2    57 GLU- HG3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 911, 910,
 &end
#
#  39 ASP- HB3    57 GLU- HB3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 908, 907,
 &end
#
#  39 ASP- HB3    57 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 626, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  39 ASP- HN     57 GLU- HN      3.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 621, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 ILE  HA     56 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 897, 898, 899,
 &end
#
#  40 ILE  HG13   56 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 644, 643,
 &end
#
#  40 ILE  HG13   56 ALA  QB      5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 644, 643,
 igr2= 897, 898, 899,
 &end
#
#  42 VAL  HA     53 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 856, 855,
 &end
#
#  43 LEU  HB3    53 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 687, 686,
 igr2= 855, 856,
 &end
#
#  43 LEU  HB3    53 ASP- HB3     5.50  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 687, 686,
 igr2= 856, 855,
 &end
#
#  43 LEU  HN     53 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 2014, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 855, 856,
 &end
#
#  44 VAL  HB     45 GLU- HN      5.50  1.00E-01   (#peak  1365 #SUP  4.46)
 &rst
  ixpk= 1365, nxpk= 0, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44 VAL  QG1    45 GLU- HA      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 707, 708, 709, 711, 712, 713,
 &end
#
#  45 GLU- HN     50 LEU  QD2     5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  45 GLU- HN     46 TYR  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 717, 732, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HN     47 THR  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 732, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  50 LEU  HG     51 LYS+ HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  HG12   55 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 874,
 &end
#
#  56 ALA  QB     75 VAL  HA      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 897, 898, 899,
 &end
#
#  56 ALA  QB     75 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 897, 898, 899,
 &end
#
#  58 LEU  QD2    70 ILE  HB      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  58 LEU  QD2    71 VAL  HN      5.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  60 LEU  HB2    64 SER  HB3     5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1028,1027,
 &end
#
#  61 ASP- HN     64 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 977,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 GLU- HA     64 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat= 991,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 LEU  HA     63 LEU  HG      3.50  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  63 LEU  HA     63 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 1365, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1013,1014,1015,
 &end
#
#  65 ASP- HN     65 ASP- HB3     4.16             (#peak   449 #SUP  4.32)
 &rst
  ixpk= 449, nxpk= 0, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1039,1038,
 &end
#
#  66 ALA  QB     67 ASP- HB2     5.50  1.00E-01   (#peak  2122 #SUP  2.06)
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1050,1051,1052,
 &end
#
#  67 ASP- HB2    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  67 ASP- HB3    69 GLY  HA2     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1084,1085,
 &end
#
#  67 ASP- HB2    70 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,1093, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  67 ASP- HB2    70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1102,1103,1104,
 &end
#
#  67 ASP- HB3    70 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1102,1103,1104,
 &end
#
#  68 PRO  HD2    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1069,1070,
 &end
#
#  68 PRO  HD3    69 GLY  HN      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1070,1069,
 &end
#
#  69 GLY  HA2    72 ASP- HB3     5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1084,1085,
 igr2=1129,1128,
 &end
#
#  69 GLY  HN     70 ILE  HA      5.00  1.00E-01
 &rst
  ixpk= 2122, nxpk= 0, iat=1082,1091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ILE  HB      5.50  1.00E-01   (#peak  1364 #SUP  4.49)
 &rst
  ixpk= 1364, nxpk= 0, iat=1082,1093, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  69 GLY  HN     70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HA     70 ILE  HG13    3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1100,1099,
 &end
#
#  70 ILE  HA     70 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HB     70 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1102,1103,1104,
 &end
#
#  70 ILE  HA     73 GLU- HG3     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1144,1143,
 &end
#
#  70 ILE  HA     74 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1091,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HA     71 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1114,1115,1116,1118,1119,1120,
 &end
#
#  71 VAL  QG1    75 VAL  HB      5.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1114,1115,1116,1118,1119,1120,
 &end
#
#  71 VAL  QG1    75 VAL  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1114,1115,1116,1118,1119,1120,
 &end
#
#  72 ASP- HB3    73 GLU- HB2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1129,1128,
 igr2=1140,1141,
 &end
#
#  72 ASP- HB3    73 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1129,1128,
 igr2=1143,1144,
 &end
#
#  73 GLU- HA     73 GLU- HG3     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1143,
 &end
#
#  73 GLU- HN     73 GLU- HG2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1143,1144,
 &end
#
#  73 GLU- HN     74 ALA  QB      5.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1155,1156,1157,
 &end
#
#  73 GLU- HA     76 ASP- HB2     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1181,1182,
 &end
#
#  73 GLU- HA     76 ASP- HB3     3.50  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1182,1181,
 &end
#
#  73 GLU- HN     76 ASP- HB2     5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1181,1182,
 &end
#
#  74 ALA  HA     76 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1153,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  HA     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1153,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  HA     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 1364, nxpk= 0, iat=1163,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HN     79 TYR  HN      5.50  1.00E-01   (#peak    99 #SUP  2.25)
 &rst
  ixpk= 99, nxpk= 0, iat=1177,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 ALA  HN     78 ALA  HN      2.90  1.00E-01
 &rst
  ixpk= 99, nxpk= 0, iat=1189,1199, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  77 ALA  QB     78 ALA  HN      5.50  1.00E-01
 &rst
  ixpk= 99, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1193,1194,1195,
 &end
#
#  77 ALA  HA     80 ARG+ HD2     5.50  1.00E-01   (#peak  2466 #SUP  2.30)
 &rst
  ixpk= 2466, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1240,1241,
 &end
#
#  78 ALA  HA     81 SER  HN      3.50  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1201,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ALA  HA     82 LEU  HB2     5.00  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1269,1270,
 &end
#
#  79 TYR  HN     80 ARG+ HN      2.90  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1209,1230, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  QD2    86 LEU  HG      5.50  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  83 GLU- HA     85 PHE  HN      5.00  1.00E-01
 &rst
  ixpk= 2466, nxpk= 0, iat=1286,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 GLU- HN     85 PHE  HN      5.50  1.00E-01   (#peak   191 #SUP  2.21)
 &rst
  ixpk= 191, nxpk= 0, iat=1284,1310, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 SER  HN     86 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1299,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 SER  HA     86 LEU  HN      5.00  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1301,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HB2    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1334,1335,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  86 LEU  QD2    89 PHE  HB2     5.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1343,1344,1345,1339,1340,1341,
 igr2=1372,1373,
 &end
#
#  86 LEU  HA     90 ARG+ HB3     5.50  1.00E-01
 &rst
  ixpk= 191, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1393,1392,
 &end
#
#  86 LEU  HB3    90 ARG+ HE      5.50             (#peak   896 #SUP  2.25)
 &rst
  ixpk= 896, nxpk= 0, iat=  -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1335,1334,
 &end
#
#  86 LEU  HB3    90 ARG+ HN      5.50  1.00E-01
 &rst
  ixpk= 896, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1335,1334,
 &end
#
#  86 LEU  HB3    91 GLU- HN      5.00             (#peak   618 #SUP  1.97)
 &rst
  ixpk= 618, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1335,1334,
 &end
#
#  87 ASP- HA     89 PHE  HN      5.50  1.00E-01   (#peak   752 #SUP  2.08)
 &rst
  ixpk= 752, nxpk= 0, iat=1351,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 ASP- HA     90 ARG+ HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1351,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 ARG+ HN     91 GLU- HB3     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1417,1416,
 &end
#
#   1 MET  HA      2 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   1 MET  HB3     2 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   9,   8,
 &end
#
#   2 SER  HN      2 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#   2 SER  HN      3 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HN      3 LEU  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  34, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   3 LEU  HN      3 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  36,  37,
 &end
#
#   3 LEU  HN      3 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  41,  42,  43,  45,  46,  47,
 &end
#
#   3 LEU  HN      3 LEU  HG      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  32,  39, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   2 SER  QB      3 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  25,  26,
 &end
#
#   3 LEU  HA      4 ARG+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  34,  51, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   3 LEU  QD2     4 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  45,  46,  47,  41,  42,  43,
 &end
#
#   4 ARG+ HN      4 ARG+ HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  56,  55,
 &end
#
#   4 ARG+ HN      4 ARG+ HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  55,  56,
 &end
#
#   4 ARG+ HN      4 ARG+ QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  61,  62,
 &end
#
#   4 ARG+ HN      5 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   4 ARG+ HN      6 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   4 ARG+ HN      6 LEU  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  51,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 ARG+ HB2    10 ASP- HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#   4 ARG+ HA      5 LYS+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  53,  75, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   4 ARG+ HB2     5 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#   4 ARG+ HB3     5 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  56,  55,
 &end
#
#   4 ARG+ QD      5 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  61,  62,
 &end
#
#   5 LYS+ HN      5 LYS+ HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=  80,  79,
 &end
#
#   5 LYS+ HN      5 LYS+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  82,  83,
 &end
#
#   5 LYS+ HN      6 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   5 LYS+ HN      6 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 106, 107, 108, 110, 111, 112,
 &end
#
#   5 LYS+ HA      6 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  77,  97, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   5 LYS+ QB      6 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  79,  80,
 &end
#
#   6 LEU  HN      6 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 101, 102,
 &end
#
#   6 LEU  HN      6 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 110, 111, 112, 106, 107, 108,
 &end
#
#   6 LEU  HN      6 LEU  HG      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  97, 104, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   6 LEU  QD2    11 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#   6 LEU  QB     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 101, 102,
 &end
#
#   6 LEU  HA      7 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  99, 116, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   6 LEU  QB      7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 101, 102,
 &end
#
#   6 LEU  QD1     7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 106, 107, 108, 110, 111, 112,
 &end
#
#   6 LEU  HN      7 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  97, 116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HN      9 GLY  QA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 147, 148,
 &end
#
#   7 THR  HN      7 THR  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 122, 123, 124,
 &end
#
#   7 THR  HN     10 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   7 THR  HN     10 ASP- HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#   7 THR  HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#   8 GLU- HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HN      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  HA      8 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   7 THR  QG2     8 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   8 GLU- HN      8 GLU- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   8 GLU- HN      8 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 134, 135,
 &end
#
#   8 GLU- HN      8 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 137, 138,
 &end
#
#   7 THR  QG2     9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   7 THR  HA      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 118, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- QB      9 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 134, 135,
 &end
#
#   9 GLY  HN      9 GLY  QA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 147, 148,
 &end
#
#   9 GLY  HN     12 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 188, 187,
 &end
#
#   9 GLY  HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HN     11 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 ASP- HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 THR  QG2    10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 122, 123, 124,
 &end
#
#   7 THR  HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLY  QA     10 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 147, 148,
 &end
#
#   9 GLY  HN     10 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HN     10 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#   7 THR  HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 116, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  10 ASP- HB2    11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  10 ASP- HB3    11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 157, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  11 LEU  HN     11 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  11 LEU  HN     11 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  HN     11 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  QD2    14 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  QD1    14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 173, 174, 175, 177, 178, 179,
 igr2= 223, 224, 225,
 &end
#
#  11 LEU  HN     14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 223, 224, 225,
 &end
#
#   9 GLY  HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 GLU- HN     11 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 130, 164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     14 ILE  HB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLY  QA     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 147, 148,
 &end
#
#  11 LEU  HB2    12 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 168, 183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  11 LEU  HB3    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  11 LEU  QD1    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  11 LEU  QD2    12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 177, 178, 179, 173, 174, 175,
 &end
#
#  11 LEU  HG     12 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 LEU  HN     12 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 164, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 ASP- HN     12 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 183, 185, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  12 ASP- HN     12 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 188, 187,
 &end
#
#  12 ASP- HN     12 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 187, 188,
 &end
#
#  12 ASP- HA     15 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 233, 234,
 &end
#
#  12 ASP- HB3    13 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 188, 187,
 &end
#
#  13 GLU- HN     13 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 199, 200,
 &end
#
#  13 GLU- HN     14 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 195, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   9 GLY  QA     13 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 147, 148,
 &end
#
#  10 ASP- HN     13 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 152, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 LEU  HA     14 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     14 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 223, 224, 225,
 &end
#
#  12 ASP- HA     14 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 185, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 GLU- QB     14 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 199, 200,
 &end
#
#  14 ILE  HN     14 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  14 ILE  HN     14 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 223, 224, 225,
 &end
#
#  14 ILE  HN     14 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 216, 217, 218,
 &end
#
#  14 ILE  HN     15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 210, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ILE  HA     16 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 212, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 LEU  HA     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 166, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 ASP- HA     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 185, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 ILE  HB     15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 214, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 ILE  QD1    15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 223, 224, 225,
 &end
#
#  14 ILE  QG2    15 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 216, 217, 218,
 &end
#
#  13 GLU- HN     15 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 195, 229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 SER  HN     16 SER  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  16 SER  HN     16 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 244, 245,
 &end
#
#  14 ILE  QG2    16 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 216, 217, 218,
 &end
#
#  16 SER  HN     17 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 240, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 SER  HA     19 HIS+ HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 294, 295,
 &end
#
#  16 SER  QB     17 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 244, 245,
 &end
#
#  17 PHE  HN     17 PHE  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 255, 256,
 &end
#
#  17 PHE  HN     17 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 259, 267,
 &end
#
#  14 ILE  QG2    17 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 216, 217, 218,
 igr2= 259, 267,
 &end
#
#  14 ILE  HA     17 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 259, 267,
 &end
#
#  14 ILE  HA     17 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 212, 251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 GLU- HB3    17 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 200, 199,
 &end
#
#  15 SER  HA     18 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 231, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 PHE  QB     18 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 255, 256,
 &end
#
#  17 PHE  QD     18 LEU  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 259, 267,
 &end
#
#  18 LEU  HN     18 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  18 LEU  HN     18 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  HN     19 HIS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 271, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 SER  HA     19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 231, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 SER  HA     19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 242, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HB2    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  18 LEU  HB3    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 276, 290, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  18 LEU  QQD    19 HIS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 290, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  19 HIS+ HN     19 HIS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 294, 295,
 &end
#
#  19 HIS+ HN     19 HIS+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 290, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HN     20 ASN  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  19 HIS+ HD2    20 ASN  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HD2    23 SER  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ QB     20 ASN  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 294, 295,
 &end
#
#  20 ASN  HN     20 ASN  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 311, 312,
 &end
#
#  20 ASN  HN     21 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  HN     21 THR  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  HN     21 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 327, 328, 329,
 &end
#
#  20 ASN  QB     21 THR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 311, 312,
 &end
#
#  21 THR  HN     22 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 PHE  HA     21 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 253, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 THR  HN     23 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 321, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HA     21 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 273, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 LEU  HA     22 ILE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 273, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 ASN  HN     22 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 307, 335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 ILE  HN     22 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  21 THR  QG2    22 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  22 ILE  HA     25 PHE  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 337, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  22 ILE  HB     23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ILE  QG2    23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 341, 342, 343,
 &end
#
#  22 ILE  HN     23 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 SER  HN     23 SER  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  23 SER  HN     24 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 354, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 ASN  HA     23 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 309, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 SER  HA     26 ILE  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 356, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 ASN  HA     24 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 309, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 ASP- HN     25 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 377, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 ASP- HN     24 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  24 ASP- HN     24 ASP- HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  24 ASP- HN     24 ASP- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  24 ASP- HN     27 LEU  QD1     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  24 ASP- HA     27 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 420, 421,
 &end
#
#  21 THR  HA     25 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 323, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 PHE  HN     25 PHE  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 382, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  25 PHE  HN     25 PHE  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 &end
#
#  25 PHE  HN     25 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 385, 393,
 &end
#
#  24 ASP- HB3    25 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  22 ILE  HA     25 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 337, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  22 ILE  QG2    25 PHE  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 341, 342, 343,
 &end
#
#  25 PHE  HN     26 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 PHE  HA     28 LYS+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 439, 440,
 &end
#
#  25 PHE  HB3    26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  HB2    26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  25 PHE  QD     26 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  26 ILE  HN     26 ILE  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 ILE  HN     26 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 403, 404, 405,
 &end
#
#  26 ILE  HN     27 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 ILE  QG2    27 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 403, 404, 405,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  22 ILE  QG2    26 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 341, 342, 343,
 igr2= 410, 411, 412,
 &end
#
#  24 ASP- HA     27 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 367, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     27 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 379, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HB     27 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 401, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 LEU  HN     27 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 421, 420,
 &end
#
#  27 LEU  HN     27 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 420, 421,
 &end
#
#  27 LEU  HN     27 LEU  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 425, 426, 427, 429, 430, 431,
 &end
#
#  27 LEU  HN     28 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 ASP- HA     28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 367, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 PHE  HA     28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 379, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HN     28 LYS+ HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 397, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 ILE  HA     28 LYS+ HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 399, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 LEU  HB3    28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 421, 420,
 &end
#
#  27 LEU  QD1    28 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 425, 426, 427, 429, 430, 431,
 &end
#
#  28 LYS+ HN     28 LYS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 439, 440,
 &end
#
#  28 LYS+ HN     28 LYS+ QE      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 448, 449,
 &end
#
#  28 LYS+ HN     28 LYS+ HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 443, 442,
 &end
#
#  28 LYS+ HN     28 LYS+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 442, 443,
 &end
#
#  28 LYS+ HN     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 435, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 ILE  HA     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 399, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 LEU  HA     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 418, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 LYS+ QB     29 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 439, 440,
 &end
#
#  29 ARG+ HN     29 ARG+ HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 461, 462,
 &end
#
#  29 ARG+ HN     29 ARG+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#  29 ARG+ HN     29 ARG+ QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 464, 465,
 &end
#
#  29 ARG+ HN     30 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 457, 481, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  27 LEU  HA     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 418, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ARG+ HB2    30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 461, 462,
 &end
#
#  29 ARG+ QG     30 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 464, 465,
 &end
#
#  30 VAL  HN     30 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 VAL  HN     30 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 491, 492, 493, 487, 488, 489,
 &end
#
#  30 VAL  HA     31 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 483, 497, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  30 VAL  HB     31 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 VAL  QQG    31 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 491, 492, 493, 487, 488, 489,
 &end
#
#  31 SER  HN     31 SER  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 502, 501,
 &end
#
#  31 SER  HN     31 SER  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 501, 502,
 &end
#
#  31 SER  HN     32 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497, 508, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HN     34 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 548, 547,
 &end
#
#  31 SER  HN     34 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497, 540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HN     34 GLU- QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 544, 545,
 &end
#
#  31 SER  HA     32 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 499, 508, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  32 ALA  HN     32 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  32 ALA  HN     32 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 512, 513, 514,
 &end
#
#  32 ALA  HN     33 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 ALA  HN     34 GLU- HG3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 548, 547,
 &end
#
#  32 ALA  HN     35 ILE  QG2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 561, 562, 563,
 &end
#
#  31 SER  HA     33 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 499, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 SER  HB2    33 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 501, 502,
 &end
#
#  32 ALA  QB     33 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 512, 513, 514,
 &end
#
#  33 LYS+ HN     33 LYS+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 522, 523,
 &end
#
#  33 LYS+ HN     33 LYS+ QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 528, 529,
 &end
#
#  33 LYS+ HN     34 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 518, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  33 LYS+ HN     35 ILE  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 518, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 LYS+ QB     34 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 523,
 &end
#
#  34 GLU- HN     34 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 544, 545,
 &end
#
#  34 GLU- HN     34 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 548, 547,
 &end
#
#  34 GLU- HN     35 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 540, 555, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  34 GLU- HB3    35 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 545, 544,
 &end
#
#  35 ILE  HN     35 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  35 ILE  HN     35 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 561, 562, 563,
 &end
#
#  35 ILE  HN     35 ILE  HG12    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 565, 566,
 &end
#
#  35 ILE  HN     35 ILE  HG13    3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 566, 565,
 &end
#
#  35 ILE  HA     36 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  35 ILE  QG2    36 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 561, 562, 563,
 &end
#
#  36 VAL  HN     36 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 VAL  HN     36 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 584, 585, 586, 580, 581, 582,
 &end
#
#  36 VAL  HN     37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  36 VAL  HB     37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 578, 590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  36 VAL  QQG    37 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 584, 585, 586, 580, 581, 582,
 &end
#
#  37 ASP- HA     38 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 592, 602, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  37 ASP- HB3    38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 595, 594,
 &end
#
#  37 ASP- HB2    38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 594, 595,
 &end
#
#  37 ASP- HN     38 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  HN     38 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 615, 616, 617,
 &end
#
#  38 ILE  HN     38 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 608, 609, 610,
 &end
#
#  38 ILE  HN     38 ILE  HG13    5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 613, 612,
 &end
#
#  38 ILE  HN     39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  QG2    40 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 608, 609, 610,
 igr2= 646, 647, 648,
 &end
#
#  38 ILE  HG12   40 ILE  QD1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 612, 613,
 igr2= 646, 647, 648,
 &end
#
#  38 ILE  HA     39 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  38 ILE  HB     39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  HG13   39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 613, 612,
 &end
#
#  38 ILE  QG2    39 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 609, 610,
 &end
#
#  39 ASP- HN     39 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  39 ASP- HA     40 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 623, 633, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  39 ASP- HN     40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 633, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASP- HB2    40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 625, 633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  39 ASP- HB3    40 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  40 ILE  HN     40 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 633, 637, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  40 ILE  HN     40 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 639, 640, 641,
 &end
#
#  40 ILE  HA     41 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 635, 652, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  40 ILE  HB     41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE  QG2    41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  40 ILE  HN     41 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 633, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HN     41 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 658, 659, 660,
 &end
#
#  41 THR  HN     42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  QG2    43 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 658, 659, 660,
 igr2= 695, 696, 697, 691, 692, 693,
 &end
#
#  41 THR  QG2    43 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 658, 659, 660,
 igr2= 691, 692, 693, 695, 696, 697,
 &end
#
#  41 THR  QG2    43 LEU  HG      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  41 THR  HA     42 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 654, 666, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  41 THR  QG2    42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  40 ILE  QG2    42 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  42 VAL  HN     42 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 666, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 VAL  HN     42 VAL  QG1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  42 VAL  HN     42 VAL  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  40 ILE  QG2    42 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 639, 640, 641,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  41 THR  QG2    43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 658, 659, 660,
 &end
#
#  42 VAL  HA     43 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 682, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  42 VAL  HB     43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 670, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  QG2    43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 676, 677, 678, 672, 673, 674,
 &end
#
#  42 VAL  HN     43 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 666, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HN     43 LEU  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 686, 687,
 &end
#
#  43 LEU  HN     43 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 695, 696, 697, 691, 692, 693,
 &end
#
#  43 LEU  HN     43 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HA     44 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  43 LEU  QB     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 686, 687,
 &end
#
#  43 LEU  HG     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 689, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 LEU  HN     44 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 VAL  HN     44 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 VAL  HN     44 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 711, 712, 713, 707, 708, 709,
 &end
#
#  44 VAL  HA     45 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  44 VAL  QQG    45 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#  44 VAL  HN     45 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  45 GLU- HN     45 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 725,
 &end
#
#  44 VAL  QQG    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 711, 712, 713, 707, 708, 709,
 &end
#
#  45 GLU- HA     46 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 719, 732, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  46 TYR  HN     46 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 732, 737, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  45 GLU- HB3    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 722, 721,
 &end
#
#  45 GLU- HB2    46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 721, 722,
 &end
#
#  45 GLU- QG     46 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 724, 725,
 &end
#
#  46 TYR  HN     46 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 740, 749,
 &end
#
#  44 VAL  QQG    46 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 711, 712, 713, 707, 708, 709,
 igr2= 740, 749,
 &end
#
#  46 TYR  QD     48 ASP- HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QE     48 ASP- HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 742, 747,
 &end
#
#  46 TYR  HA     47 THR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 753, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  46 TYR  QD     47 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  47 THR  HN     47 THR  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 759, 760, 761,
 &end
#
#  46 TYR  HB2    47 THR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 736, 753, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  47 THR  HN     49 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 779, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  47 THR  HB     48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 757, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  47 THR  QG2    48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 759, 760, 761,
 &end
#
#  47 THR  HN     48 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  48 ASP- HN     49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 767, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  48 ASP- HB3    49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 772, 771,
 &end
#
#  49 GLU- HN     49 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 787, 786,
 &end
#
#  46 TYR  HA     49 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 GLU- HA     50 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 781, 794, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  49 GLU- HN     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  49 GLU- HG3    50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 787, 786,
 &end
#
#  50 LEU  HN     50 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 798, 799,
 &end
#
#  50 LEU  HN     50 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  50 LEU  HN     50 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  50 LEU  QD1    52 VAL  QG1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 803, 804, 805, 807, 808, 809,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  50 LEU  QD2    52 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 803, 804, 805,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  50 LEU  HA     51 LYS+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  50 LEU  HB3    51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 799, 798,
 &end
#
#  50 LEU  QQD    51 LYS+ HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 803, 804, 805,
 &end
#
#  50 LEU  HN     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 794, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  51 LYS+ HN     51 LYS+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 817, 818,
 &end
#
#  51 LYS+ HN     51 LYS+ QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 820, 821,
 &end
#
#  51 LYS+ HN     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 813, 835, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  51 LYS+ HA     52 VAL  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 815, 835, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  51 LYS+ QB     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 817, 818,
 &end
#
#  51 LYS+ QG     52 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 820, 821,
 &end
#
#  52 VAL  HN     52 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  52 VAL  HN     52 VAL  QG1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 841, 842, 843, 845, 846, 847,
 &end
#
#  52 VAL  HN     52 VAL  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  52 VAL  HN     53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 835, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 845, 846, 847, 841, 842, 843,
 igr2= 876, 877, 878,
 &end
#
#  52 VAL  HA     53 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 837, 851, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  52 VAL  HB     53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 839, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    53 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 845, 846, 847, 841, 842, 843,
 &end
#
#  53 ASP- HA     54 ILE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 853, 863, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  53 ASP- HB3    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 856, 855,
 &end
#
#  53 ASP- HB2    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 855, 856,
 &end
#
#  54 ILE  HN     54 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  54 ILE  HN     54 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
#  54 ILE  HN     54 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 869, 870, 871,
 &end
#
#  54 ILE  HN     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  53 ASP- HN     54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 851, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 VAL  QG2    54 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 845, 846, 847, 841, 842, 843,
 &end
#
#  54 ILE  HA     55 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  54 ILE  HB     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  QG2    55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 869, 870, 871,
 &end
#
#  55 SER  HN     56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 882, 893, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 ILE  QG2    56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 869, 870, 871,
 &end
#
#  55 SER  HA     56 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  55 SER  QB     56 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 886, 887,
 &end
#
#  56 ALA  HN     56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 897, 898, 899,
 &end
#
#  56 ALA  HA     57 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 895, 903, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  56 ALA  QB     57 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 897, 898, 899,
 &end
#
#  57 GLU- HN     57 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 907, 908,
 &end
#
#  57 GLU- HN     57 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 910, 911,
 &end
#
#  38 ILE  HB     57 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 606, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 GLU- HA     58 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 905, 918, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  57 GLU- QG     58 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 910, 911,
 &end
#
#  58 LEU  HN     58 LEU  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 922, 923,
 &end
#
#  58 LEU  HN     58 LEU  QQD     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  58 LEU  HN     58 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 LEU  HA     59 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  58 LEU  QB     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 922, 923,
 &end
#
#  58 LEU  HN     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 918, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 LEU  QQD    59 TYR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 931, 932, 933, 927, 928, 929,
 &end
#
#  59 TYR  HN     59 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  59 TYR  HB3    60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 942, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  59 TYR  HB2    60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 941, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  59 TYR  QD     60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 954,
 &end
#
#  59 TYR  HN     60 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 TYR  HA     60 LEU  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 939, 958, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  60 LEU  HN     60 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  60 LEU  HN     60 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 971, 972, 973, 967, 968, 969,
 &end
#
#  60 LEU  HN     60 LEU  HG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HN     61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 958, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HA     61 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  60 LEU  HB2    61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  60 LEU  HB3    61 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 963, 977, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  60 LEU  QQD    61 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 971, 972, 973, 967, 968, 969,
 &end
#
#  60 LEU  HG     61 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 965, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ASP- HN     61 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 982, 981,
 &end
#
#  61 ASP- HN     61 ASP- HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 981, 982,
 &end
#
#  61 ASP- HA     62 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  61 ASP- HB3    62 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 982, 981,
 &end
#
#  62 GLU- HN     62 GLU- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 994, 993,
 &end
#
#  62 GLU- HN     62 GLU- HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 996,
 &end
#
#  62 GLU- HN     63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 GLU- HB3    63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 994, 993,
 &end
#
#  62 GLU- HG3    63 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 996,
 &end
#
#  63 LEU  HN     63 LEU  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1008,1009,
 &end
#
#  63 LEU  HN     63 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1013,1014,1015,
 &end
#
#  63 LEU  HN     64 SER  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  63 LEU  QB     64 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1008,1009,
 &end
#
#  63 LEU  QQD    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1013,1014,1015,
 &end
#
#  64 SER  HN     64 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1027,1028,
 &end
#
#  64 SER  HA     65 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1025,1034, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  65 ASP- HN     66 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1034,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  64 SER  HN     65 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1023,1034, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 SER  QB     65 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1027,1028,
 &end
#
#  65 ASP- QB     66 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1038,1039,
 &end
#
#  66 ALA  HN     66 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1046,1048, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  66 ALA  HN     66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1050,1051,1052,
 &end
#
#  64 SER  QB     66 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1027,1028,
 &end
#
#  66 ALA  HA     67 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1048,1056, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  66 ALA  QB     67 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1050,1051,1052,
 &end
#
#  67 ASP- HN     67 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  67 ASP- HN     67 ASP- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 &end
#
#  67 ASP- HA     70 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  67 ASP- HA     68 PRO  HD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1069,1070,
 &end
#
#  67 ASP- HA     69 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1058,1082, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 PRO  HA     69 GLY  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  69 GLY  HN     69 GLY  HA1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1084,1085,
 &end
#
#  69 GLY  HN     69 GLY  HA2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1084,1085,
 &end
#
#  68 PRO  HA     70 ILE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ILE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  70 ILE  HN     70 ILE  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  70 ILE  HN     70 ILE  HG13    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1100,1099,
 &end
#
#  70 ILE  HN     70 ILE  HG12    5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1099,1100,
 &end
#
#  70 ILE  HN     70 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1095,1096,1097,
 &end
#
#  70 ILE  HA     73 GLU- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1140,1141,
 &end
#
#  70 ILE  HG13   71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1100,1099,
 &end
#
#  70 ILE  HG12   71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1100,
 &end
#
#  70 ILE  HN     71 VAL  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 VAL  HN     71 VAL  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HN     71 VAL  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HN     71 VAL  QQG     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1118,1119,1120,1114,1115,1116,
 &end
#
#  69 GLY  HA2    71 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1084,1085,
 &end
#
#  71 VAL  HN     72 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1108,1124, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  71 VAL  HA     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  69 GLY  HA2    72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1084,1085,
 &end
#
#  70 ILE  HA     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HB     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1112,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  QQG    72 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1118,1119,1120,1114,1115,1116,
 &end
#
#  72 ASP- HN     72 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,1126, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  72 ASP- HN     72 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1129,1128,
 &end
#
#  72 ASP- HN     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1124,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  70 ILE  HN     72 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1089,1124, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- HA     75 VAL  HB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  70 ILE  HA     73 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1091,1136, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- QB     73 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1128,1129,
 &end
#
#  73 GLU- HN     73 GLU- QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1140,1141,
 &end
#
#  73 GLU- HN     73 GLU- HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1144,1143,
 &end
#
#  73 GLU- HN     74 ALA  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1151, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  73 GLU- HN     75 VAL  QQG     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  71 VAL  HA     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 VAL  HB     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1112,1151, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- QB     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1128,1129,
 &end
#
#  73 GLU- QB     74 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1140,1141,
 &end
#
#  74 ALA  HN     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  74 ALA  HN     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1151,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  HA     77 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1193,1194,1195,
 &end
#
#  71 VAL  HA     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 ASP- HA     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HN     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  QB     75 VAL  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  75 VAL  HN     75 VAL  HB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,1165, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  75 VAL  HN     75 VAL  QQG     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  75 VAL  HN     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  75 VAL  HA     78 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1203,1204,1205,
 &end
#
#  75 VAL  QG1    79 TYR  QE      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1167,1168,1169,1171,1172,1173,
 igr2=1219,1224,
 &end
#
#  72 ASP- HA     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1126,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HA     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1138,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 GLU- HN     76 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1136,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 ALA  QB     76 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  75 VAL  HB     76 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1165,1177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75 VAL  QQG    76 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1171,1172,1173,1167,1168,1169,
 &end
#
#  75 VAL  HN     76 ASP- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1161,1177, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  76 ASP- HN     76 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,1179, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  76 ASP- HN     76 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1182,1181,
 &end
#
#  76 ASP- HN     76 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1181,1182,
 &end
#
#  76 ASP- HN     79 TYR  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1226,
 &end
#
#  76 ASP- HA     79 TYR  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1226,
 &end
#
#  76 ASP- HA     79 TYR  QE      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1224,
 &end
#
#  76 ASP- HA     79 TYR  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#  76 ASP- HA     79 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1214,1213,
 &end
#
#  76 ASP- HB3    77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1182,1181,
 &end
#
#  73 GLU- QB     77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1140,1141,
 &end
#
#  76 ASP- HB2    77 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1181,1182,
 &end
#
#  76 ASP- HN     77 ALA  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1177,1189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 ALA  HN     77 ALA  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  77 ALA  HN     77 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1193,1194,1195,
 &end
#
#  77 ALA  HN     79 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1217,1226,
 &end
#
#  74 ALA  QB     77 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1155,1156,1157,
 &end
#
#  77 ALA  HA     80 ARG+ QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1234,1235,
 &end
#
#  75 VAL  HA     78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HA     78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ALA  HN     78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1203,1204,1205,
 &end
#
#  76 ASP- HA     79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  HA     79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1163,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 VAL  QQG    79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1171,1172,1173,1167,1168,1169,
 &end
#
#  78 ALA  QB     79 TYR  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1203,1204,1205,
 &end
#
#  78 ALA  HN     79 TYR  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1199,1209, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  79 TYR  HN     79 TYR  HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1214,1213,
 &end
#
#  79 TYR  HN     79 TYR  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1213,1214,
 &end
#
#  79 TYR  HN     79 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1217,1226,
 &end
#
#  79 TYR  HN     81 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1209,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ALA  HA     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1191,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 ASP- HA     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1179,1230, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ALA  QB     80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1193,1194,1195,
 &end
#
#  79 TYR  HB3    80 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1214,1213,
 &end
#
#  80 ARG+ HN     80 ARG+ HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1232, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  80 ARG+ HN     80 ARG+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1234,1235,
 &end
#
#  80 ARG+ HN     80 ARG+ HD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1240,1241,
 &end
#
#  80 ARG+ HN     80 ARG+ HG3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1238,1237,
 &end
#
#  80 ARG+ HN     80 ARG+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1237,1238,
 &end
#
#  80 ARG+ HN     81 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 SER  HN     81 SER  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1258,1259,
 &end
#
#  81 SER  HN     82 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,1265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81 SER  HN     83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1254,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ARG+ HN     82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1230,1265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HN     82 LEU  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,1267, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  HN     82 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1270,1269,
 &end
#
#  82 LEU  HN     82 LEU  HB2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1269,1270,
 &end
#
#  82 LEU  HN     82 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  78 ALA  HA     82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1201,1265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HA     85 PHE  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1314,1315,
 &end
#
#  82 LEU  HN     85 PHE  QB      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1314,1315,
 &end
#
#  82 LEU  QD2    85 PHE  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1278,1279,1280,1274,1275,1276,
 igr2=1318,1326,
 &end
#
#  81 SER  HA     83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1256,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  HB2    83 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1269,1270,
 &end
#
#  82 LEU  HN     83 GLU- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  83 GLU- HN     83 GLU- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,1286, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  83 GLU- HN     83 GLU- QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1288,1289,
 &end
#
#  83 GLU- HN     83 GLU- QG      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1291,1292,
 &end
#
#  82 LEU  HA     84 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 GLU- QB     84 SER  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1288,1289,
 &end
#
#  84 SER  HN     85 PHE  HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1299,1310, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  82 LEU  HA     85 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 LEU  QQD    85 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  85 PHE  HN     85 PHE  HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,1312, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  85 PHE  HN     85 PHE  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1315,1314,
 &end
#
#  85 PHE  HN     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1326,
 &end
#
#  85 PHE  HN     86 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1310,1330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  85 PHE  QD     89 PHE  QD      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1326,
 igr2=1376,1384,
 &end
#
#  82 LEU  HA     86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1267,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  HB3    86 LEU  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1315,1314,
 &end
#
#  85 PHE  QD     86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1326,
 &end
#
#  85 PHE  QD     86 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1318,1326,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  85 PHE  QE     86 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1320,1324,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  86 LEU  HN     86 LEU  HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1335,1334,
 &end
#
#  86 LEU  HN     86 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1334,1335,
 &end
#
#  86 LEU  HN     86 LEU  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1339,1340,1341,1343,1344,1345,
 &end
#
#  86 LEU  HN     86 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  82 LEU  QD2    86 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1278,1279,1280,1274,1275,1276,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  82 LEU  QQD    86 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1278,1279,1280,1274,1275,1276,
 &end
#
#  86 LEU  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  HA     89 PHE  HB3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1373,
 &end
#
#  86 LEU  HA     89 PHE  HB2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1373,
 &end
#
#  86 LEU  HB3    87 ASP- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1335,1334,
 &end
#
#  86 LEU  HN     87 ASP- HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1330,1349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  87 ASP- HN     87 ASP- HA      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  87 ASP- HN     87 ASP- HB3     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1354,1353,
 &end
#
#  87 ASP- HN     87 ASP- HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1353,1354,
 &end
#
#  87 ASP- HN     89 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1349,1368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  HA     88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1312,1361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 PHE  QD     88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1326,
 &end
#
#  86 LEU  QD1    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1339,1340,1341,1343,1344,1345,
 &end
#
#  87 ASP- HB3    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1354,1353,
 &end
#
#  87 ASP- HB2    88 GLY  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1353,1354,
 &end
#
#  88 GLY  HN     88 GLY  HA2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1363,1364,
 &end
#
#  88 GLY  HN     89 PHE  HN      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,1368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  88 GLY  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  HA     89 PHE  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,1368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HA     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  86 LEU  QD2    89 PHE  QD      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1343,1344,1345,1339,1340,1341,
 igr2=1376,1384,
 &end
#
#  89 PHE  HN     89 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1376,1384,
 &end
#
#  89 PHE  HN     90 ARG+ HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1368,1388, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  88 GLY  HN     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1361,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 GLY  HA1    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  88 GLY  HA2    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  89 PHE  HB3    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1373,1372,
 &end
#
#  89 PHE  HB2    90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1372,1373,
 &end
#
#  89 PHE  QD     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1376,1384,
 &end
#
#  90 ARG+ HN     90 ARG+ QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1392,1393,
 &end
#
#  90 ARG+ HN     90 ARG+ HG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1395,1396,
 &end
#
#  90 ARG+ HN     91 GLU- HN      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=1388,1412, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  86 LEU  HA     90 ARG+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1332,1388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 GLU- HN     91 GLU- HB3     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1417,1416,
 &end
#
#  91 GLU- HN     91 GLU- HG3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1420,1419,
 &end
#
#  88 GLY  HA2    91 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363,1364,
 &end
#
#  89 PHE  HB3    91 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1412, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1373,1372,
 &end
#
#   6 LEU  QD2    46 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 740, 749,
 &end
#
#   6 LEU  QD2    46 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 742, 747,
 &end
#
#   6 LEU  QD1    50 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2= 803, 804, 805, 807, 808, 809,
 &end
#
#   6 LEU  QD2    50 LEU  QD1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 803, 804, 805, 807, 808, 809,
 &end
#
#   6 LEU  QD2    50 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#   3 LEU  QD2    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  45,  46,  47,  41,  42,  43,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#   3 LEU  QD1    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#   6 LEU  QD1    89 PHE  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 106, 107, 108, 110, 111, 112,
 igr2=1376,1384,
 &end
#
#   3 LEU  QD1    14 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  41,  42,  43,  45,  46,  47,
 igr2= 223, 224, 225,
 &end
#
#   6 LEU  QD2    14 ILE  QD1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 110, 111, 112, 106, 107, 108,
 igr2= 223, 224, 225,
 &end
#
#  35 ILE  QG2    38 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 561, 562, 563,
 igr2= 615, 616, 617,
 &end
#
#  35 ILE  HA     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 ILE  HA     60 LEU  QQD     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 971, 972, 973, 967, 968, 969,
 &end
#
#  35 ILE  QD1    60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 568, 569, 570,
 &end
#
#  35 ILE  QG2    59 TYR  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 561, 562, 563,
 &end
#
#  30 VAL  QQG    35 ILE  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2= 565, 566,
 &end
#
#  32 ALA  HA     35 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 568, 569, 570,
 &end
#
#  27 LEU  QD2    35 ILE  QD1     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 429, 430, 431, 425, 426, 427,
 igr2= 568, 569, 570,
 &end
#
#  27 LEU  QD2    32 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 429, 430, 431, 425, 426, 427,
 igr2= 512, 513, 514,
 &end
#
#  60 LEU  QD2    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 971, 972, 973, 967, 968, 969,
 igr2=1050,1051,1052,
 &end
#
#  60 LEU  QD1    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 967, 968, 969, 971, 972, 973,
 igr2=1050,1051,1052,
 &end
#
#  66 ALA  QB     70 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1050,1051,1052,
 igr2=1102,1103,1104,
 &end
#
#  60 LEU  HA     64 SER  QB      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1027,1028,
 &end
#
#  61 ASP- HB2    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 981, 982,
 &end
#
#  61 ASP- HB3    64 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 982, 981,
 &end
#
#  60 LEU  HB2    64 SER  HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 962,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 &end
#
#  61 ASP- HN     64 SER  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1027,1028,
 &end
#
#  67 ASP- HN     70 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1102,1103,1104,
 &end
#
#  37 ASP- HN     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  HN     60 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 ASP- HN     59 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  37 ASP- HN     59 TYR  HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 942, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  37 ASP- HN     59 TYR  HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 941, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 &end
#
#  39 ASP- HN     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 954,
 &end
#
#  39 ASP- HA     59 TYR  QE      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 947, 952,
 &end
#
#  39 ASP- HB3    59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 947, 952,
 &end
#
#  37 ASP- HB2    59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 igr2= 947, 952,
 &end
#
#  37 ASP- HB2    59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 594, 595,
 igr2= 945, 954,
 &end
#
#  37 ASP- HB3    59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 595, 594,
 igr2= 945, 954,
 &end
#
#  39 ASP- HB3    59 TYR  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 945, 954,
 &end
#
#  57 GLU- QG     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 910, 911,
 igr2= 945, 954,
 &end
#
#  57 GLU- QG     59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 910, 911,
 igr2= 947, 952,
 &end
#
#  57 GLU- QB     59 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 907, 908,
 igr2= 945, 954,
 &end
#
#  57 GLU- QB     59 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 907, 908,
 igr2= 947, 952,
 &end
#
#  41 THR  HN     56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HN     56 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 897, 898, 899,
 &end
#
#  41 THR  HN     55 SER  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 886, 887,
 &end
#
#  43 LEU  HN     53 ASP- HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 856, 855,
 &end
#
#  45 GLU- HN     51 LYS+ HB2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#  47 THR  HN     51 LYS+ HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 753, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 VAL  HA     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  HA     53 ASP- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 LEU  QB     53 ASP- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 687,
 &end
#
#  41 THR  HN     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 THR  HB     55 SER  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 656, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 VAL  QG2    55 SER  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 676, 677, 678, 672, 673, 674,
 &end
#
#  41 THR  HN     57 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 652, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 ILE  QG2    57 GLU- HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639, 640, 641,
 &end
#
#  45 GLU- HN     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 717, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 ILE  QG2    58 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 609, 610,
 &end
#
#  37 ASP- HN     59 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 590, 937, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HA     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 ILE  HA     56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 635, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASP- HN     56 ALA  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 ASP- HN     57 GLU- HA      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 621, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 ILE  QD1    56 ALA  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 646, 647, 648,
 &end
#
#  40 ILE  QG2    56 ALA  HA      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 639, 640, 641,
 &end
#
#  40 ILE  QD1    56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 646, 647, 648,
 igr2= 897, 898, 899,
 &end
#
#  40 ILE  QG2    56 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 639, 640, 641,
 igr2= 897, 898, 899,
 &end
#
#  46 TYR  HA     50 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  HA     50 LEU  QD2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  42 VAL  HA     54 ILE  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 668, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  46 TYR  QD     50 LEU  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QD     50 LEU  HB2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 740, 749,
 igr2= 798, 799,
 &end
#
#  46 TYR  QD     50 LEU  HB3     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 740, 749,
 igr2= 799, 798,
 &end
#
#  46 TYR  QE     50 LEU  HB2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 742, 747,
 igr2= 798, 799,
 &end
#
#  46 TYR  QE     50 LEU  HB3     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 742, 747,
 igr2= 799, 798,
 &end
#
#  46 TYR  QD     50 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 740, 749,
 igr2= 807, 808, 809, 803, 804, 805,
 &end
#
#  46 TYR  QD     49 GLU- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 740, 749,
 &end
#
#  46 TYR  QD     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  46 TYR  QE     50 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 742, 747,
 &end
#
#  46 TYR  QD     51 LYS+ HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 740, 749,
 &end
#
#  42 VAL  QG2    54 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 676, 677, 678, 672, 673, 674,
 igr2= 869, 870, 871,
 &end
#
#  45 GLU- HN     51 LYS+ QG      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 820, 821,
 &end
#
#  35 ILE  QG2    60 LEU  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 561, 562, 563,
 igr2= 967, 968, 969, 971, 972, 973,
 &end
#
#  35 ILE  HA     61 ASP- HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 557, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  36 VAL  HN     61 ASP- HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 574, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 VAL  QQG    61 ASP- HA      3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 584, 585, 586, 580, 581, 582,
 &end
#
#  38 ILE  QG2    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 608, 609, 610,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  35 ILE  QG2    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 561, 562, 563,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  22 ILE  QD1    40 ILE  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 348, 349, 350,
 igr2= 643, 644,
 &end
#
#  22 ILE  QD1    40 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HA     40 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  QD1     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 646, 647, 648,
 &end
#
#  19 HIS+ HN     40 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 290,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 639, 640, 641,
 &end
#
#  19 HIS+ HD2    40 ILE  HB      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 HIS+ HD2    42 VAL  QG2     5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 676, 677, 678, 672, 673, 674,
 &end
#
#  14 ILE  QG2    44 VAL  QG2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 216, 217, 218,
 igr2= 711, 712, 713, 707, 708, 709,
 &end
#
#  11 LEU  QD1    44 VAL  QG1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 173, 174, 175, 177, 178, 179,
 igr2= 707, 708, 709, 711, 712, 713,
 &end
#
#  11 LEU  QD2    46 TYR  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 740, 749,
 &end
#
#  11 LEU  QD2    46 TYR  QE      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 177, 178, 179, 173, 174, 175,
 igr2= 742, 747,
 &end
#
#  18 LEU  QD1    42 VAL  QG1     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  23 SER  HN     38 ILE  QD1     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 615, 616, 617,
 &end
#
#  11 LEU  QD1    45 GLU- HN      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 173, 174, 175, 177, 178, 179,
 &end
#
#  14 ILE  QG2    52 VAL  QG2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 216, 217, 218,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  18 LEU  QD2    52 VAL  QG2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 845, 846, 847, 841, 842, 843,
 &end
#
#  26 ILE  QD1    58 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 410, 411, 412,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  26 ILE  QG2    58 LEU  QD2     5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 403, 404, 405,
 igr2= 931, 932, 933, 927, 928, 929,
 &end
#
#  18 LEU  HA     54 ILE  QD1     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 876, 877, 878,
 &end
#
#  18 LEU  QD2    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2= 876, 877, 878,
 &end
#
#  18 LEU  QD1    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2= 876, 877, 878,
 &end
#
#  22 ILE  QD1    54 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 869, 870, 871,
 &end
#
#  26 ILE  QD1    58 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 410, 411, 412,
 igr2= 927, 928, 929, 931, 932, 933,
 &end
#
#  22 ILE  HN     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  HA     78 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1203,1204,1205,
 &end
#
#  22 ILE  HA     74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  QD1    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2=1203,1204,1205,
 &end
#
#  21 THR  QG2    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 327, 328, 329,
 igr2=1203,1204,1205,
 &end
#
#  21 THR  QG2    77 ALA  HA      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  21 THR  QG2    81 SER  HB3     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 327, 328, 329,
 igr2=1259,1258,
 &end
#
#  22 ILE  QD1    78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 348, 349, 350,
 &end
#
#  22 ILE  HN     22 ILE  QG2     5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 341, 342, 343,
 &end
#
#  30 VAL  QQG    66 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1050,1051,1052,
 &end
#
#  30 VAL  QQG    66 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 491, 492, 493, 487, 488, 489,
 &end
#
#  14 ILE  QD1    86 LEU  QD2     3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 223, 224, 225,
 igr2=1343,1344,1345,1339,1340,1341,
 &end
#
#  14 ILE  QD1    89 PHE  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 223, 224, 225,
 igr2=1376,1384,
 &end
#
#  14 ILE  QG2    85 PHE  QD      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 216, 217, 218,
 igr2=1318,1326,
 &end
#
#  14 ILE  QD1    85 PHE  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 223, 224, 225,
 igr2=1320,1324,
 &end
#
#  14 ILE  QD1    85 PHE  QD      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 223, 224, 225,
 igr2=1318,1326,
 &end
#
#  22 ILE  QG2    75 VAL  QG1     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 341, 342, 343,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  22 ILE  QG2    75 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 341, 342, 343,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  22 ILE  QD1    75 VAL  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 348, 349, 350,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  22 ILE  QD1    75 VAL  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 348, 349, 350,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  22 ILE  QG2    74 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 341, 342, 343,
 igr2=1155,1156,1157,
 &end
#
#  22 ILE  QD1    74 ALA  QB      3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 348, 349, 350,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QD     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  25 PHE  QE     74 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 387, 391,
 &end
#
#  26 ILE  QD1    74 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 410, 411, 412,
 igr2=1155,1156,1157,
 &end
#
#  26 ILE  HN     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QD     77 ALA  HN      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 385, 393,
 &end
#
#  25 PHE  QD     77 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 385, 393,
 igr2=1193,1194,1195,
 &end
#
#  25 PHE  QE     77 ALA  QB      3.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 387, 391,
 igr2=1193,1194,1195,
 &end
#
#  18 LEU  QD2    78 ALA  QB      2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1203,1204,1205,
 &end
#
#  18 LEU  QD2    82 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  18 LEU  QQD    82 LEU  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 284, 285, 286, 280, 281, 282,
 &end
#
#  18 LEU  QD2    82 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 284, 285, 286, 280, 281, 282,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  14 ILE  QG2    82 LEU  QD2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 216, 217, 218,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  18 LEU  QD1    82 LEU  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 280, 281, 282, 284, 285, 286,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  17 PHE  QD     82 LEU  QD2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 259, 267,
 igr2=1278,1279,1280,1274,1275,1276,
 &end
#
#  17 PHE  QE     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 261, 265,
 igr2=1318,1326,
 &end
#
#  17 PHE  HZ     85 PHE  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1326,
 &end
#
#  17 PHE  QD     85 PHE  HZ      5.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 259, 267,
 &end
#
#  30 VAL  QQG    70 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1102,1103,1104,
 &end
#
#  30 VAL  QQG    70 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 491, 492, 493, 487, 488, 489,
 igr2=1095,1096,1097,
 &end
#
#  30 VAL  HN     70 ILE  QG2     5.50 
 &rst
  ixpk= 752, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1095,1096,1097,
 &end
#
#  52 VAL  QG1    82 LEU  QD1     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 841, 842, 843, 845, 846, 847,
 igr2=1274,1275,1276,1278,1279,1280,
 &end
#
#  17 PHE  QE     82 LEU  HN      5.50  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 265,
 &end
#
#  21 THR  QG2    78 ALA  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 327, 328, 329,
 &end
#
#  25 PHE  QD     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 385, 393,
 igr2=1155,1156,1157,
 &end
#
#  25 PHE  QE     74 ALA  QB      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 387, 391,
 igr2=1155,1156,1157,
 &end
#
#  58 LEU  QD1    70 ILE  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 927, 928, 929, 931, 932, 933,
 igr2=1095,1096,1097,
 &end
#
#  58 LEU  QD2    71 VAL  QG2     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 931, 932, 933, 927, 928, 929,
 igr2=1118,1119,1120,1114,1115,1116,
 &end
#
#  54 ILE  QD1    79 TYR  HN      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 876, 877, 878,
 &end
#
#  54 ILE  QD1    79 TYR  QD      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 876, 877, 878,
 igr2=1217,1226,
 &end
#
#  54 ILE  QD1    79 TYR  QE      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 876, 877, 878,
 igr2=1219,1224,
 &end
#
#  54 ILE  QD1    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 876, 877, 878,
 igr2=1203,1204,1205,
 &end
#
#  54 ILE  QG2    78 ALA  QB      2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 869, 870, 871,
 igr2=1203,1204,1205,
 &end
#
#  54 ILE  HN     79 TYR  QE      5.00  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1219,1224,
 &end
#
#  54 ILE  QG2    75 VAL  QG1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 869, 870, 871,
 igr2=1167,1168,1169,1171,1172,1173,
 &end
#
#  54 ILE  QG2    75 VAL  QG2     3.50 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 869, 870, 871,
 igr2=1171,1172,1173,1167,1168,1169,
 &end
#
#  54 ILE  QD1    75 VAL  HA      5.00 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 876, 877, 878,
 &end
#
#  22 ILE  QD1    54 ILE  QD1     2.90 
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 348, 349, 350,
 igr2= 876, 877, 878,
 &end
#
#  58 LEU  QD2    70 ILE  QG2     2.90  1.00E-01
 &rst
  ixpk= 752, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 931, 932, 933, 927, 928, 929,
 igr2=1095,1096,1097,
 &end
# H-BONDS restraints
#  10 ASP- O      14 ILE  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 210, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  10 ASP- O      14 ILE  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 209, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  11 LEU  O      15 SER  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 229, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  11 LEU  O      15 SER  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 228, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  13 GLU- O      17 PHE  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 251, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  13 GLU- O      17 PHE  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 250, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  14 ILE  O      18 LEU  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 271, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  14 ILE  O      18 LEU  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 270, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  17 PHE  O      21 THR  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 321, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  17 PHE  O      21 THR  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 320, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  18 LEU  O      22 ILE  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 335, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  18 LEU  O      22 ILE  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 334, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  19 HIS  O      23 SER  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 354, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  19 HIS  O      23 SER  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 353, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  20 ASN  O      24 ASP- HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 365, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  20 ASN  O      24 ASP- N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 364, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  21 THR  O      25 PHE  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 377, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  21 THR  O      25 PHE  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 376, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  22 ILE  O      26 ILE  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 397, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  22 ILE  O      26 ILE  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 396, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  23 SER  O      27 LEU  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  23 SER  O      27 LEU  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 415, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  24 ASP- O      28 LYS+ HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  24 ASP- O      28 LYS+ N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 434, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  25 PHE  O      29 ARG+ HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 457, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  25 PHE  O      29 ARG+ N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 456, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  37 ASP- O      59 TYR  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 937, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  37 ASP- O      59 TYR  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 936, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  39 ASP- O      57 GLU- HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 903, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  39 ASP- O      57 GLU- N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 902, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  41 THR  O      55 SER  HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 882, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  41 THR  O      55 SER  N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 881, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  43 LEU  O      53 ASP- HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 851, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  43 LEU  O      53 ASP- N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 850, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  45 GLU- O      51 LYS+ HN      1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 813, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  45 GLU- O      51 LYS+ N       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 812, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  45 GLU- HN     51 LYS+ O       1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 833, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  45 GLU- N      51 LYS+ O       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 833, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  41 THR  HN     55 SER  O       1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 891, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  41 THR  N      55 SER  O       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 891, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  39 ASP- HN     57 GLU- O       1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 916, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  39 ASP- N      57 GLU- O       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 916, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
#
#  37 ASP- HN     59 TYR  O       1.80 2.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 956, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  37 ASP- N      59 TYR  O       2.70 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 956, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70,  &end
# 1426 atoms read from pdb file 9mar_1Hamb.pdb.
# 3 LEU PHI:  (2 SER C)-(3 LEU N)-(3 LEU CA)-(3 LEU C) -180.0   0.0
 &rst     iat =    29,    31,    33,    48,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
   rk2 = 500.0, rk3 = 500.0,    &end

# 4 ARG PHI:  (3 LEU C)-(4 ARG N)-(4 ARG CA)-(4 ARG C) -180.0   0.0
 &rst     iat =    48,    50,    52,    72,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 5 LYS PHI:  (4 ARG C)-(5 LYS N)-(5 LYS CA)-(5 LYS C) -180.0   0.0
 &rst     iat =    72,    74,    76,    94,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 6 LEU PHI:  (5 LYS C)-(6 LEU N)-(6 LEU CA)-(6 LEU C) -135.0 -75.0
 &rst     iat =    94,    96,    98,   113,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end

# 6 LEU PSI:  (6 LEU N)-(6 LEU CA)-(6 LEU C)-(7 THR N) 106.0 150.0
 &rst     iat =    96,    98,   113,   115,
   r1 = 105.0, r2 = 106.0, r3 = 150.0, r4 = 151.0,
 &end

# 7 THR PHI:  (6 LEU C)-(7 THR N)-(7 THR CA)-(7 THR C) -157.0 -45.0
 &rst     iat =   113,   115,   117,   127,
   r1 = -158.0, r2 = -157.0, r3 = -45.0, r4 = -44.0,
 &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 GLU N) 129.0 201.0
 &rst     iat =   115,   117,   127,   129,
   r1 = 128.0, r2 = 129.0, r3 = 201.0, r4 = 202.0,
 &end

# 8 GLU PHI:  (7 THR C)-(8 GLU N)-(8 GLU CA)-(8 GLU C) -180.0   0.0
 &rst     iat =   127,   129,   131,   142,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 10 ASP PHI:  (9 GLY C)-(10 ASP N)-(10 ASP CA)-(10 ASP C) -70.0 -58.0
 &rst     iat =   149,   151,   153,   161,
   r1 = -71.0, r2 = -70.0, r3 = -58.0, r4 = -57.0,
 &end

# 10 ASP CHI1:  (10 ASP N)-(10 ASP CA)-(10 ASP CB)-(10 ASP CG) -80.0 -40.0
 &rst     iat =   151,   153,   155,   158,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 10 ASP PSI:  (10 ASP N)-(10 ASP CA)-(10 ASP C)-(11 LEU N) -51.0 -31.0
 &rst     iat =   151,   153,   161,   163,
   r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0,
 &end

# 11 LEU PHI:  (10 ASP C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -70.0 -60.0
 &rst     iat =   161,   163,   165,   180,
   r1 = -71.0, r2 = -70.0, r3 = -60.0, r4 = -59.0,
 &end

# 11 LEU CHI1:  (11 LEU N)-(11 LEU CA)-(11 LEU CB)-(11 LEU CG) -80.0 -40.0
 &rst     iat =   163,   165,   167,   170,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 ASP N) -48.0 -32.0
 &rst     iat =   163,   165,   180,   182,
   r1 = -49.0, r2 = -48.0, r3 = -32.0, r4 = -31.0,
 &end

# 12 ASP PHI:  (11 LEU C)-(12 ASP N)-(12 ASP CA)-(12 ASP C) -70.0 -54.0
 &rst     iat =   180,   182,   184,   192,
   r1 = -71.0, r2 = -70.0, r3 = -54.0, r4 = -53.0,
 &end

# 12 ASP PSI:  (12 ASP N)-(12 ASP CA)-(12 ASP C)-(13 GLU N) -46.0 -36.0
 &rst     iat =   182,   184,   192,   194,
   r1 = -47.0, r2 = -46.0, r3 = -36.0, r4 = -35.0,
 &end

# 13 GLU PHI:  (12 ASP C)-(13 GLU N)-(13 GLU CA)-(13 GLU C) -77.0 -55.0
 &rst     iat =   192,   194,   196,   207,
   r1 = -78.0, r2 = -77.0, r3 = -55.0, r4 = -54.0,
 &end

# 13 GLU PSI:  (13 GLU N)-(13 GLU CA)-(13 GLU C)-(14 ILE N) -44.0 -38.0
 &rst     iat =   194,   196,   207,   209,
   r1 = -45.0, r2 = -44.0, r3 = -38.0, r4 = -37.0,
 &end

# 14 ILE PHI:  (13 GLU C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -87.0 -65.0
 &rst     iat =   207,   209,   211,   226,
   r1 = -88.0, r2 = -87.0, r3 = -65.0, r4 = -64.0,
 &end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 SER N) -49.0 -39.0
 &rst     iat =   209,   211,   226,   228,
   r1 = -50.0, r2 = -49.0, r3 = -39.0, r4 = -38.0,
 &end

# 15 SER PHI:  (14 ILE C)-(15 SER N)-(15 SER CA)-(15 SER C) -71.0 -59.0
 &rst     iat =   226,   228,   230,   237,
   r1 = -72.0, r2 = -71.0, r3 = -59.0, r4 = -58.0,
 &end

# 15 SER PSI:  (15 SER N)-(15 SER CA)-(15 SER C)-(16 SER N) -47.0 -31.0
 &rst     iat =   228,   230,   237,   239,
   r1 = -48.0, r2 = -47.0, r3 = -31.0, r4 = -30.0,
 &end

# 16 SER PHI:  (15 SER C)-(16 SER N)-(16 SER CA)-(16 SER C) -83.8 -54.3
 &rst     iat =   237,   239,   241,   248,
   r1 = -84.8, r2 = -83.8, r3 = -54.3, r4 = -53.3,
 &end

# 16 SER PSI:  (16 SER N)-(16 SER CA)-(16 SER C)-(17 PHE N) -43.8 -32.7
 &rst     iat =   239,   241,   248,   250,
   r1 = -44.8, r2 = -43.8, r3 = -32.7, r4 = -31.7,
 &end

# 17 PHE PHI:  (16 SER C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -79.6 -56.9
 &rst     iat =   248,   250,   252,   268,
   r1 = -80.6, r2 = -79.6, r3 = -56.9, r4 = -55.9,
 &end

# 17 PHE CHI1:  (17 PHE N)-(17 PHE CA)-(17 PHE CB)-(17 PHE CG) 160.0 200.0
 &rst     iat =   250,   252,   254,   257,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 LEU N) -42.5 -32.5
 &rst     iat =   250,   252,   268,   270,
   r1 = -43.5, r2 = -42.5, r3 = -32.5, r4 = -31.5,
 &end

# 18 LEU PHI:  (17 PHE C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -76.8 -61.5
 &rst     iat =   268,   270,   272,   287,
   r1 = -77.8, r2 = -76.8, r3 = -61.5, r4 = -60.5,
 &end

# 18 LEU CHI1:  (18 LEU N)-(18 LEU CA)-(18 LEU CB)-(18 LEU CG) -80.0 -40.0
 &rst     iat =   270,   272,   274,   277,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 18 LEU PSI:  (18 LEU N)-(18 LEU CA)-(18 LEU C)-(19 HID N) -51.3 -35.1
 &rst     iat =   270,   272,   287,   289,
   r1 = -52.3, r2 = -51.3, r3 = -35.1, r4 = -34.1,
 &end

# 19 HIS PHI:  (18 LEU C)-(19 HID N)-(19 HID CA)-(19 HID C) -72.0 -55.8
 &rst     iat =   287,   289,   291,   304,
   r1 = -73.0, r2 = -72.0, r3 = -55.8, r4 = -54.8,
 &end

# 19 HIS CHI1:  (19 HID N)-(19 HID CA)-(19 HID CB)-(19 HID CG) 160.0 200.0
 &rst     iat =   289,   291,   293,   296,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 19 HIS PSI:  (19 HID N)-(19 HID CA)-(19 HID C)-(20 ASN N) -49.8 -28.2
 &rst     iat =   289,   291,   304,   306,
   r1 = -50.8, r2 = -49.8, r3 = -28.2, r4 = -27.2,
 &end

# 20 ASN PHI:  (19 HID C)-(20 ASN N)-(20 ASN CA)-(20 ASN C) -72.3 -60.7
 &rst     iat =   304,   306,   308,   318,
   r1 = -73.3, r2 = -72.3, r3 = -60.7, r4 = -59.7,
 &end

# 20 ASN PSI:  (20 ASN N)-(20 ASN CA)-(20 ASN C)-(21 THR N) -45.6 -23.8
 &rst     iat =   306,   308,   318,   320,
   r1 = -46.6, r2 = -45.6, r3 = -23.8, r4 = -22.8,
 &end

# 21 THR PHI:  (20 ASN C)-(21 THR N)-(21 THR CA)-(21 THR C) -79.0 -61.2
 &rst     iat =   318,   320,   322,   332,
   r1 = -80.0, r2 = -79.0, r3 = -61.2, r4 = -60.2,
 &end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 ILE N) -47.3 -35.4
 &rst     iat =   320,   322,   332,   334,
   r1 = -48.3, r2 = -47.3, r3 = -35.4, r4 = -34.4,
 &end

# 22 ILE PHI:  (21 THR C)-(22 ILE N)-(22 ILE CA)-(22 ILE C) -73.4 -59.3
 &rst     iat =   332,   334,   336,   351,
   r1 = -74.4, r2 = -73.4, r3 = -59.3, r4 = -58.3,
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 SER N) -54.2 -35.1
 &rst     iat =   334,   336,   351,   353,
   r1 = -55.2, r2 = -54.2, r3 = -35.1, r4 = -34.1,
 &end

# 23 SER PHI:  (22 ILE C)-(23 SER N)-(23 SER CA)-(23 SER C) -87.0 -51.0
 &rst     iat =   351,   353,   355,   362,
   r1 = -88.0, r2 = -87.0, r3 = -51.0, r4 = -50.0,
 &end

# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 ASP N) -51.0  -7.0
 &rst     iat =   353,   355,   362,   364,
   r1 = -52.0, r2 = -51.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 24 ASP PHI:  (23 SER C)-(24 ASP N)-(24 ASP CA)-(24 ASP C) -69.6 -58.3
 &rst     iat =   362,   364,   366,   374,
   r1 = -70.6, r2 = -69.6, r3 = -58.3, r4 = -57.3,
 &end

# 24 ASP CHI1:  (24 ASP N)-(24 ASP CA)-(24 ASP CB)-(24 ASP CG) -80.0 -40.0
 &rst     iat =   364,   366,   368,   371,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 24 ASP PSI:  (24 ASP N)-(24 ASP CA)-(24 ASP C)-(25 PHE N) -38.6 -30.9
 &rst     iat =   364,   366,   374,   376,
   r1 = -39.6, r2 = -38.6, r3 = -30.9, r4 = -29.9,
 &end

# 25 PHE PHI:  (24 ASP C)-(25 PHE N)-(25 PHE CA)-(25 PHE C) -77.5 -58.5
 &rst     iat =   374,   376,   378,   394,
   r1 = -78.5, r2 = -77.5, r3 = -58.5, r4 = -57.5,
 &end

# 25 PHE CHI1:  (25 PHE N)-(25 PHE CA)-(25 PHE CB)-(25 PHE CG) 160.0 200.0
 &rst     iat =   376,   378,   380,   383,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 25 PHE PSI:  (25 PHE N)-(25 PHE CA)-(25 PHE C)-(26 ILE N) -45.5 -30.6
 &rst     iat =   376,   378,   394,   396,
   r1 = -46.5, r2 = -45.5, r3 = -30.6, r4 = -29.6,
 &end

# 26 ILE PHI:  (25 PHE C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -88.0 -60.0
 &rst     iat =   394,   396,   398,   413,
   r1 = -89.0, r2 = -88.0, r3 = -60.0, r4 = -59.0,
 &end

# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 LEU N) -53.0 -23.0
 &rst     iat =   396,   398,   413,   415,
   r1 = -54.0, r2 = -53.0, r3 = -23.0, r4 = -22.0,
 &end

# 27 LEU PHI:  (26 ILE C)-(27 LEU N)-(27 LEU CA)-(27 LEU C) -87.0 -59.0
 &rst     iat =   413,   415,   417,   432,
   r1 = -88.0, r2 = -87.0, r3 = -59.0, r4 = -58.0,
 &end

# 27 LEU PSI:  (27 LEU N)-(27 LEU CA)-(27 LEU C)-(28 LYS N) -45.0  -9.0
 &rst     iat =   415,   417,   432,   434,
   r1 = -46.0, r2 = -45.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 28 LYS PHI:  (27 LEU C)-(28 LYS N)-(28 LYS CA)-(28 LYS C) -180.0   0.0
 &rst     iat =   432,   434,   436,   454,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 29 ARG PHI:  (28 LYS C)-(29 ARG N)-(29 ARG CA)-(29 ARG C) -180.0   0.0
 &rst     iat =   454,   456,   458,   478,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 30 VAL PHI:  (29 ARG C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -151.5 -88.0
 &rst     iat =   478,   480,   482,   494,
   r1 = -152.5, r2 = -151.5, r3 = -88.0, r4 = -87.0,
 &end

# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 SER N) 129.4 163.5
 &rst     iat =   480,   482,   494,   496,
   r1 = 128.4, r2 = 129.4, r3 = 163.5, r4 = 164.5,
 &end

# 31 SER PHI:  (30 VAL C)-(31 SER N)-(31 SER CA)-(31 SER C) -108.1 -63.1
 &rst     iat =   494,   496,   498,   505,
   r1 = -109.1, r2 = -108.1, r3 = -63.1, r4 = -62.1,
 &end

# 31 SER PSI:  (31 SER N)-(31 SER CA)-(31 SER C)-(32 ALA N) 106.1 136.2
 &rst     iat =   496,   498,   505,   507,
   r1 = 105.1, r2 = 106.1, r3 = 136.2, r4 = 137.2,
 &end

# 32 ALA PHI:  (31 SER C)-(32 ALA N)-(32 ALA CA)-(32 ALA C) -81.0 -51.0
 &rst     iat =   505,   507,   509,   515,
   r1 = -82.0, r2 = -81.0, r3 = -51.0, r4 = -50.0,
 &end

# 32 ALA PSI:  (32 ALA N)-(32 ALA CA)-(32 ALA C)-(33 LYS N) -43.0 -25.0
 &rst     iat =   507,   509,   515,   517,
   r1 = -44.0, r2 = -43.0, r3 = -25.0, r4 = -24.0,
 &end

# 33 LYS PHI:  (32 ALA C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -180.0   0.0
 &rst     iat =   515,   517,   519,   537,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 34 GLU PHI:  (33 LYS C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -180.0   0.0
 &rst     iat =   537,   539,   541,   552,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 35 ILE PHI:  (34 GLU C)-(35 ILE N)-(35 ILE CA)-(35 ILE C) -129.0 -71.0
 &rst     iat =   552,   554,   556,   571,
   r1 = -130.0, r2 = -129.0, r3 = -71.0, r4 = -70.0,
 &end

# 35 ILE PSI:  (35 ILE N)-(35 ILE CA)-(35 ILE C)-(36 VAL N)  98.0 128.0
 &rst     iat =   554,   556,   571,   573,
   r1 =  97.0, r2 =  98.0, r3 = 128.0, r4 = 129.0,
 &end

# 36 VAL PHI:  (35 ILE C)-(36 VAL N)-(36 VAL CA)-(36 VAL C) -103.0 -69.0
 &rst     iat =   571,   573,   575,   587,
   r1 = -104.0, r2 = -103.0, r3 = -69.0, r4 = -68.0,
 &end

# 36 VAL PSI:  (36 VAL N)-(36 VAL CA)-(36 VAL C)-(37 ASP N) -65.0  -3.0
 &rst     iat =   573,   575,   587,   589,
   r1 = -66.0, r2 = -65.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 37 ASP PHI:  (36 VAL C)-(37 ASP N)-(37 ASP CA)-(37 ASP C) -169.0 -143.0
 &rst     iat =   587,   589,   591,   599,
   r1 = -170.0, r2 = -169.0, r3 = -143.0, r4 = -142.0,
 &end

# 37 ASP PSI:  (37 ASP N)-(37 ASP CA)-(37 ASP C)-(38 ILE N) 123.0 177.0
 &rst     iat =   589,   591,   599,   601,
   r1 = 122.0, r2 = 123.0, r3 = 177.0, r4 = 178.0,
 &end

# 38 ILE PHI:  (37 ASP C)-(38 ILE N)-(38 ILE CA)-(38 ILE C) -147.6 -99.9
 &rst     iat =   599,   601,   603,   618,
   r1 = -148.6, r2 = -147.6, r3 = -99.9, r4 = -98.9,
 &end

# 38 ILE PSI:  (38 ILE N)-(38 ILE CA)-(38 ILE C)-(39 ASP N) 106.4 143.0
 &rst     iat =   601,   603,   618,   620,
   r1 = 105.4, r2 = 106.4, r3 = 143.0, r4 = 144.0,
 &end

# 39 ASP PHI:  (38 ILE C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -132.1 -97.1
 &rst     iat =   618,   620,   622,   630,
   r1 = -133.1, r2 = -132.1, r3 = -97.1, r4 = -96.1,
 &end

# 39 ASP CHI1:  (39 ASP N)-(39 ASP CA)-(39 ASP CB)-(39 ASP CG) -80.0 -40.0
 &rst     iat =   620,   622,   624,   627,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 ILE N) 107.3 130.8
 &rst     iat =   620,   622,   630,   632,
   r1 = 106.3, r2 = 107.3, r3 = 130.8, r4 = 131.8,
 &end

# 40 ILE PHI:  (39 ASP C)-(40 ILE N)-(40 ILE CA)-(40 ILE C) -131.1 -92.4
 &rst     iat =   630,   632,   634,   649,
   r1 = -132.1, r2 = -131.1, r3 = -92.4, r4 = -91.4,
 &end

# 40 ILE PSI:  (40 ILE N)-(40 ILE CA)-(40 ILE C)-(41 THR N) 113.1 130.5
 &rst     iat =   632,   634,   649,   651,
   r1 = 112.1, r2 = 113.1, r3 = 130.5, r4 = 131.5,
 &end

# 41 THR PHI:  (40 ILE C)-(41 THR N)-(41 THR CA)-(41 THR C) -119.6 -87.4
 &rst     iat =   649,   651,   653,   663,
   r1 = -120.6, r2 = -119.6, r3 = -87.4, r4 = -86.4,
 &end

# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 VAL N) 117.9 140.0
 &rst     iat =   651,   653,   663,   665,
   r1 = 116.9, r2 = 117.9, r3 = 140.0, r4 = 141.0,
 &end

# 42 VAL PHI:  (41 THR C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -115.4 -90.0
 &rst     iat =   663,   665,   667,   679,
   r1 = -116.4, r2 = -115.4, r3 = -90.0, r4 = -89.0,
 &end

# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 LEU N) 118.0 137.8
 &rst     iat =   665,   667,   679,   681,
   r1 = 117.0, r2 = 118.0, r3 = 137.8, r4 = 138.8,
 &end

# 43 LEU PHI:  (42 VAL C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -117.6 -92.1
 &rst     iat =   679,   681,   683,   698,
   r1 = -118.6, r2 = -117.6, r3 = -92.1, r4 = -91.1,
 &end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 VAL N) 117.9 138.9
 &rst     iat =   681,   683,   698,   700,
   r1 = 116.9, r2 = 117.9, r3 = 138.9, r4 = 139.9,
 &end

# 44 VAL PHI:  (43 LEU C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -139.5 -99.4
 &rst     iat =   698,   700,   702,   714,
   r1 = -140.5, r2 = -139.5, r3 = -99.4, r4 = -98.4,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 GLU N) 131.1 155.0
 &rst     iat =   700,   702,   714,   716,
   r1 = 130.1, r2 = 131.1, r3 = 155.0, r4 = 156.0,
 &end

# 45 GLU PHI:  (44 VAL C)-(45 GLU N)-(45 GLU CA)-(45 GLU C) -153.6 -111.8
 &rst     iat =   714,   716,   718,   729,
   r1 = -154.6, r2 = -153.6, r3 = -111.8, r4 = -110.8,
 &end

# 45 GLU PSI:  (45 GLU N)-(45 GLU CA)-(45 GLU C)-(46 TYR N) 130.5 159.8
 &rst     iat =   716,   718,   729,   731,
   r1 = 129.5, r2 = 130.5, r3 = 159.8, r4 = 160.8,
 &end

# 46 TYR PHI:  (45 GLU C)-(46 TYR N)-(46 TYR CA)-(46 TYR C) -150.3 -104.3
 &rst     iat =   729,   731,   733,   750,
   r1 = -151.3, r2 = -150.3, r3 = -104.3, r4 = -103.3,
 &end

# 46 TYR CHI1:  (46 TYR N)-(46 TYR CA)-(46 TYR CB)-(46 TYR CG) 160.0 200.0
 &rst     iat =   731,   733,   735,   738,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 46 TYR PSI:  (46 TYR N)-(46 TYR CA)-(46 TYR C)-(47 THR N)  99.8 148.2
 &rst     iat =   731,   733,   750,   752,
   r1 =  98.8, r2 =  99.8, r3 = 148.2, r4 = 149.2,
 &end

# 47 THR PHI:  (46 TYR C)-(47 THR N)-(47 THR CA)-(47 THR C) -131.0 -63.0
 &rst     iat =   750,   752,   754,   764,
   r1 = -132.0, r2 = -131.0, r3 = -63.0, r4 = -62.0,
 &end

# 47 THR PSI:  (47 THR N)-(47 THR CA)-(47 THR C)-(48 ASP N)  81.0 205.0
 &rst     iat =   752,   754,   764,   766,
   r1 =  79.0, r2 =  81.0, r3 = 205.0, r4 = 206.0,
 &end

# 49 GLU PHI:  (48 ASP C)-(49 GLU N)-(49 GLU CA)-(49 GLU C) -155.6 -98.4
 &rst     iat =   776,   778,   780,   791,
   r1 = -156.6, r2 = -155.6, r3 = -98.4, r4 = -97.4,
 &end

# 49 GLU PSI:  (49 GLU N)-(49 GLU CA)-(49 GLU C)-(50 LEU N) 127.5 159.6
 &rst     iat =   778,   780,   791,   793,
   r1 = 126.5, r2 = 127.5, r3 = 159.6, r4 = 160.6,
 &end

# 50 LEU PHI:  (49 GLU C)-(50 LEU N)-(50 LEU CA)-(50 LEU C) -123.3 -85.5
 &rst     iat =   791,   793,   795,   810,
   r1 = -124.3, r2 = -123.3, r3 = -85.5, r4 = -84.5,
 &end

# 50 LEU PSI:  (50 LEU N)-(50 LEU CA)-(50 LEU C)-(51 LYS N) 102.8 129.0
 &rst     iat =   793,   795,   810,   812,
   r1 = 101.8, r2 = 102.8, r3 = 129.0, r4 = 130.0,
 &end

# 51 LYS PHI:  (50 LEU C)-(51 LYS N)-(51 LYS CA)-(51 LYS C) -135.7 -85.0
 &rst     iat =   810,   812,   814,   832,
   r1 = -136.7, r2 = -135.7, r3 = -85.0, r4 = -84.0,
 &end

# 51 LYS PSI:  (51 LYS N)-(51 LYS CA)-(51 LYS C)-(52 VAL N) 118.3 150.3
 &rst     iat =   812,   814,   832,   834,
   r1 = 117.3, r2 = 118.3, r3 = 150.3, r4 = 151.3,
 &end

# 52 VAL PHI:  (51 LYS C)-(52 VAL N)-(52 VAL CA)-(52 VAL C) -136.0 -99.3
 &rst     iat =   832,   834,   836,   848,
   r1 = -137.0, r2 = -136.0, r3 = -99.3, r4 = -98.3,
 &end

# 52 VAL PSI:  (52 VAL N)-(52 VAL CA)-(52 VAL C)-(53 ASP N) 123.6 153.3
 &rst     iat =   834,   836,   848,   850,
   r1 = 122.6, r2 = 123.6, r3 = 153.3, r4 = 154.3,
 &end

# 53 ASP PHI:  (52 VAL C)-(53 ASP N)-(53 ASP CA)-(53 ASP C) -141.2 -98.8
 &rst     iat =   848,   850,   852,   860,
   r1 = -142.2, r2 = -141.2, r3 = -98.8, r4 = -97.8,
 &end

# 53 ASP PSI:  (53 ASP N)-(53 ASP CA)-(53 ASP C)-(54 ILE N) 118.5 145.9
 &rst     iat =   850,   852,   860,   862,
   r1 = 117.5, r2 = 118.5, r3 = 145.9, r4 = 146.9,
 &end

# 54 ILE PHI:  (53 ASP C)-(54 ILE N)-(54 ILE CA)-(54 ILE C) -132.0 -102.0
 &rst     iat =   860,   862,   864,   879,
   r1 = -133.0, r2 = -132.0, r3 = -102.0, r4 = -101.0,
 &end

# 54 ILE PSI:  (54 ILE N)-(54 ILE CA)-(54 ILE C)-(55 SER N) 109.0 145.0
 &rst     iat =   862,   864,   879,   881,
   r1 = 108.0, r2 = 109.0, r3 = 145.0, r4 = 146.0,
 &end

# 55 SER PHI:  (54 ILE C)-(55 SER N)-(55 SER CA)-(55 SER C) -131.4 -81.5
 &rst     iat =   879,   881,   883,   890,
   r1 = -132.4, r2 = -131.4, r3 = -81.5, r4 = -80.5,
 &end

# 55 SER PSI:  (55 SER N)-(55 SER CA)-(55 SER C)-(56 ALA N) 122.2 155.6
 &rst     iat =   881,   883,   890,   892,
   r1 = 121.2, r2 = 122.2, r3 = 155.6, r4 = 156.6,
 &end

# 56 ALA PHI:  (55 SER C)-(56 ALA N)-(56 ALA CA)-(56 ALA C) -131.0 -101.3
 &rst     iat =   890,   892,   894,   900,
   r1 = -132.0, r2 = -131.0, r3 = -101.3, r4 = -100.3,
 &end

# 56 ALA PSI:  (56 ALA N)-(56 ALA CA)-(56 ALA C)-(57 GLU N) 138.4 160.8
 &rst     iat =   892,   894,   900,   902,
   r1 = 137.4, r2 = 138.4, r3 = 160.8, r4 = 161.8,
 &end

# 57 GLU PHI:  (56 ALA C)-(57 GLU N)-(57 GLU CA)-(57 GLU C) -146.4 -110.8
 &rst     iat =   900,   902,   904,   915,
   r1 = -147.4, r2 = -146.4, r3 = -110.8, r4 = -109.8,
 &end

# 57 GLU PSI:  (57 GLU N)-(57 GLU CA)-(57 GLU C)-(58 LEU N) 118.9 147.4
 &rst     iat =   902,   904,   915,   917,
   r1 = 117.9, r2 = 118.9, r3 = 147.4, r4 = 148.4,
 &end

# 58 LEU PHI:  (57 GLU C)-(58 LEU N)-(58 LEU CA)-(58 LEU C) -127.8 -96.9
 &rst     iat =   915,   917,   919,   934,
   r1 = -128.8, r2 = -127.8, r3 = -96.9, r4 = -95.9,
 &end

# 58 LEU PSI:  (58 LEU N)-(58 LEU CA)-(58 LEU C)-(59 TYR N) 104.4 143.8
 &rst     iat =   917,   919,   934,   936,
   r1 = 103.4, r2 = 104.4, r3 = 143.8, r4 = 144.8,
 &end

# 59 TYR PHI:  (58 LEU C)-(59 TYR N)-(59 TYR CA)-(59 TYR C) -114.0 -91.6
 &rst     iat =   934,   936,   938,   955,
   r1 = -115.0, r2 = -114.0, r3 = -91.6, r4 = -90.6,
 &end

# 59 TYR CHI1:  (59 TYR N)-(59 TYR CA)-(59 TYR CB)-(59 TYR CG) -80.0 -40.0
 &rst     iat =   936,   938,   940,   943,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 TYR PSI:  (59 TYR N)-(59 TYR CA)-(59 TYR C)-(60 LEU N) 103.0 130.4
 &rst     iat =   936,   938,   955,   957,
   r1 = 102.0, r2 = 103.0, r3 = 130.4, r4 = 131.4,
 &end

# 60 LEU PHI:  (59 TYR C)-(60 LEU N)-(60 LEU CA)-(60 LEU C) -122.4 -82.4
 &rst     iat =   955,   957,   959,   974,
   r1 = -123.4, r2 = -122.4, r3 = -82.4, r4 = -81.4,
 &end

# 60 LEU CHI1:  (60 LEU N)-(60 LEU CA)-(60 LEU CB)-(60 LEU CG) -80.0 -40.0
 &rst     iat =   957,   959,   961,   964,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 60 LEU PSI:  (60 LEU N)-(60 LEU CA)-(60 LEU C)-(61 ASP N) 125.1 151.7
 &rst     iat =   957,   959,   974,   976,
   r1 = 124.1, r2 = 125.1, r3 = 151.7, r4 = 152.7,
 &end

# 61 ASP PHI:  (60 LEU C)-(61 ASP N)-(61 ASP CA)-(61 ASP C) -127.0 -57.0
 &rst     iat =   974,   976,   978,   986,
   r1 = -128.0, r2 = -127.0, r3 = -57.0, r4 = -56.0,
 &end

# 61 ASP PSI:  (61 ASP N)-(61 ASP CA)-(61 ASP C)-(62 GLU N) 107.0 147.0
 &rst     iat =   976,   978,   986,   988,
   r1 = 106.0, r2 = 107.0, r3 = 147.0, r4 = 148.0,
 &end

# 62 GLU PHI:  (61 ASP C)-(62 GLU N)-(62 GLU CA)-(62 GLU C) -103.0 -65.0
 &rst     iat =   986,   988,   990,  1001,
   r1 = -104.0, r2 = -103.0, r3 = -65.0, r4 = -64.0,
 &end

# 63 LEU PHI:  (62 GLU C)-(63 LEU N)-(63 LEU CA)-(63 LEU C) -180.0   0.0
 &rst     iat =  1001,  1003,  1005,  1020,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 64 SER PHI:  (63 LEU C)-(64 SER N)-(64 SER CA)-(64 SER C) -180.0   0.0
 &rst     iat =  1020,  1022,  1024,  1031,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 65 ASP PHI:  (64 SER C)-(65 ASP N)-(65 ASP CA)-(65 ASP C) -158.9 -79.9
 &rst     iat =  1031,  1033,  1035,  1043,
   r1 = -159.9, r2 = -158.9, r3 = -79.9, r4 = -78.9,
 &end

# 65 ASP PSI:  (65 ASP N)-(65 ASP CA)-(65 ASP C)-(66 ALA N)  94.9 177.0
 &rst     iat =  1033,  1035,  1043,  1045,
   r1 =  93.9, r2 =  94.9, r3 = 177.0, r4 = 178.0,
 &end

# 66 ALA PHI:  (65 ASP C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -180.0   0.0
 &rst     iat =  1043,  1045,  1047,  1053,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 67 ASP PHI:  (66 ALA C)-(67 ASP N)-(67 ASP CA)-(67 ASP C) -132.0 -86.0
 &rst     iat =  1053,  1055,  1057,  1065,
   r1 = -133.0, r2 = -132.0, r3 = -86.0, r4 = -85.0,
 &end

# 67 ASP CHI1:  (67 ASP N)-(67 ASP CA)-(67 ASP CB)-(67 ASP CG) -80.0 -40.0
 &rst     iat =  1055,  1057,  1059,  1062,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 67 ASP PSI:  (67 ASP N)-(67 ASP CA)-(67 ASP C)-(68 PRO N)  82.0 146.0
 &rst     iat =  1055,  1057,  1065,  1067,
   r1 =  81.0, r2 =  82.0, r3 = 146.0, r4 = 147.0,
 &end

# 69 GLY PHI:  (68 PRO C)-(69 GLY N)-(69 GLY CA)-(69 GLY C)   0.0 180.0
# &rst     iat =  1079,  1081,  1083,  1086,
#   r1 =  -1.0, r2 =   0.0, r3 = 180.0, r4 = 181.0,
# &end

# 69 GLY PHI:  (68 PRO C)-(69 GLY N)-(69 GLY CA)-(69 GLY C)   0.0 180.0
 &rst     iat =  1079,  1081,  1083,  1086,
   r1 =    1.0, r2 =   2.0, r3 = 178.0, r4 = 179.0,
 &end

# 70 ILE PHI:  (69 GLY C)-(70 ILE N)-(70 ILE CA)-(70 ILE C) -101.0 -51.0
 &rst     iat =  1086,  1088,  1090,  1105,
   r1 = -102.0, r2 = -101.0, r3 = -51.0, r4 = -50.0,
 &end

# 71 VAL PHI:  (70 ILE C)-(71 VAL N)-(71 VAL CA)-(71 VAL C) -86.0 -48.0
 &rst     iat =  1105,  1107,  1109,  1121,
   r1 = -87.0, r2 = -86.0, r3 = -48.0, r4 = -47.0,
 &end

# 72 ASP PHI:  (71 VAL C)-(72 ASP N)-(72 ASP CA)-(72 ASP C) -81.0 -52.5
 &rst     iat =  1121,  1123,  1125,  1133,
   r1 = -82.0, r2 = -81.0, r3 = -52.5, r4 = -51.5,
 &end

# 72 ASP PSI:  (72 ASP N)-(72 ASP CA)-(72 ASP C)-(73 GLU N) -49.1 -36.2
 &rst     iat =  1123,  1125,  1133,  1135,
   r1 = -50.1, r2 = -49.1, r3 = -36.2, r4 = -35.2,
 &end

# 73 GLU PHI:  (72 ASP C)-(73 GLU N)-(73 GLU CA)-(73 GLU C) -81.0 -64.1
 &rst     iat =  1133,  1135,  1137,  1148,
   r1 = -82.0, r2 = -81.0, r3 = -64.1, r4 = -63.1,
 &end

# 73 GLU PSI:  (73 GLU N)-(73 GLU CA)-(73 GLU C)-(74 ALA N) -50.3 -19.0
 &rst     iat =  1135,  1137,  1148,  1150,
   r1 = -51.3, r2 = -50.3, r3 = -19.0, r4 = -18.0,
 &end

# 74 ALA PHI:  (73 GLU C)-(74 ALA N)-(74 ALA CA)-(74 ALA C) -74.0 -54.0
 &rst     iat =  1148,  1150,  1152,  1158,
   r1 = -75.0, r2 = -74.0, r3 = -54.0, r4 = -53.0,
 &end

# 74 ALA PSI:  (74 ALA N)-(74 ALA CA)-(74 ALA C)-(75 VAL N) -45.0 -25.0
 &rst     iat =  1150,  1152,  1158,  1160,
   r1 = -46.0, r2 = -45.0, r3 = -25.0, r4 = -24.0,
 &end

# 75 VAL PHI:  (74 ALA C)-(75 VAL N)-(75 VAL CA)-(75 VAL C) -82.3 -58.9
 &rst     iat =  1158,  1160,  1162,  1174,
   r1 = -83.3, r2 = -82.3, r3 = -58.9, r4 = -57.9,
 &end

# 75 VAL PSI:  (75 VAL N)-(75 VAL CA)-(75 VAL C)-(76 ASP N) -51.2 -30.9
 &rst     iat =  1160,  1162,  1174,  1176,
   r1 = -52.2, r2 = -51.2, r3 = -30.9, r4 = -29.9,
 &end

# 76 ASP PHI:  (75 VAL C)-(76 ASP N)-(76 ASP CA)-(76 ASP C) -69.0 -59.0
 &rst     iat =  1174,  1176,  1178,  1186,
   r1 = -70.0, r2 = -69.0, r3 = -59.0, r4 = -58.0,
 &end

# 76 ASP PSI:  (76 ASP N)-(76 ASP CA)-(76 ASP C)-(77 ALA N) -43.0 -27.0
 &rst     iat =  1176,  1178,  1186,  1188,
   r1 = -44.0, r2 = -43.0, r3 = -27.0, r4 = -26.0,
 &end

# 77 ALA PHI:  (76 ASP C)-(77 ALA N)-(77 ALA CA)-(77 ALA C) -75.0 -63.0
 &rst     iat =  1186,  1188,  1190,  1196,
   r1 = -76.0, r2 = -75.0, r3 = -63.0, r4 = -62.0,
 &end

# 77 ALA PSI:  (77 ALA N)-(77 ALA CA)-(77 ALA C)-(78 ALA N) -45.0 -15.0
 &rst     iat =  1188,  1190,  1196,  1198,
   r1 = -46.0, r2 = -45.0, r3 = -15.0, r4 = -14.0,
 &end

# 78 ALA PHI:  (77 ALA C)-(78 ALA N)-(78 ALA CA)-(78 ALA C) -72.0 -58.0
 &rst     iat =  1196,  1198,  1200,  1206,
   r1 = -73.0, r2 = -72.0, r3 = -58.0, r4 = -57.0,
 &end

# 78 ALA PSI:  (78 ALA N)-(78 ALA CA)-(78 ALA C)-(79 TYR N) -45.0 -33.0
 &rst     iat =  1198,  1200,  1206,  1208,
   r1 = -46.0, r2 = -45.0, r3 = -33.0, r4 = -32.0,
 &end

# 79 TYR PHI:  (78 ALA C)-(79 TYR N)-(79 TYR CA)-(79 TYR C) -69.5 -58.9
 &rst     iat =  1206,  1208,  1210,  1227,
   r1 = -70.5, r2 = -69.5, r3 = -58.9, r4 = -57.9,
 &end

# 79 TYR PSI:  (79 TYR N)-(79 TYR CA)-(79 TYR C)-(80 ARG N) -42.9 -32.1
 &rst     iat =  1208,  1210,  1227,  1229,
   r1 = -43.9, r2 = -42.9, r3 = -32.1, r4 = -31.1,
 &end

# 80 ARG PHI:  (79 TYR C)-(80 ARG N)-(80 ARG CA)-(80 ARG C) -72.3 -57.3
 &rst     iat =  1227,  1229,  1231,  1251,
   r1 = -73.3, r2 = -72.3, r3 = -57.3, r4 = -56.3,
 &end

# 80 ARG CHI1:  (80 ARG N)-(80 ARG CA)-(80 ARG CB)-(80 ARG CG) -80.0 -40.0
 &rst     iat =  1229,  1231,  1233,  1236,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 80 ARG PSI:  (80 ARG N)-(80 ARG CA)-(80 ARG C)-(81 SER N) -51.8 -22.3
 &rst     iat =  1229,  1231,  1251,  1253,
   r1 = -52.8, r2 = -51.8, r3 = -22.3, r4 = -21.3,
 &end

# 81 SER PHI:  (80 ARG C)-(81 SER N)-(81 SER CA)-(81 SER C) -83.5 -63.2
 &rst     iat =  1251,  1253,  1255,  1262,
   r1 = -84.5, r2 = -83.5, r3 = -63.2, r4 = -62.2,
 &end

# 81 SER PSI:  (81 SER N)-(81 SER CA)-(81 SER C)-(82 LEU N) -50.2 -13.9
 &rst     iat =  1253,  1255,  1262,  1264,
   r1 = -51.2, r2 = -50.2, r3 = -13.9, r4 = -12.9,
 &end

# 82 LEU PHI:  (81 SER C)-(82 LEU N)-(82 LEU CA)-(82 LEU C) -87.0 -57.0
 &rst     iat =  1262,  1264,  1266,  1281,
   r1 = -88.0, r2 = -87.0, r3 = -57.0, r4 = -56.0,
 &end

# 82 LEU CHI1:  (82 LEU N)-(82 LEU CA)-(82 LEU CB)-(82 LEU CG) 160.0 200.0
 &rst     iat =  1264,  1266,  1268,  1271,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 82 LEU PSI:  (82 LEU N)-(82 LEU CA)-(82 LEU C)-(83 GLU N) -47.0 -13.0
 &rst     iat =  1264,  1266,  1281,  1283,
   r1 = -48.0, r2 = -47.0, r3 = -13.0, r4 = -12.0,
 &end

# 83 GLU PHI:  (82 LEU C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -75.0 -59.0
 &rst     iat =  1281,  1283,  1285,  1296,
   r1 = -76.0, r2 = -75.0, r3 = -59.0, r4 = -58.0,
 &end

# 83 GLU PSI:  (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 SER N) -41.0 -23.0
 &rst     iat =  1283,  1285,  1296,  1298,
   r1 = -42.0, r2 = -41.0, r3 = -23.0, r4 = -22.0,
 &end

# 84 SER PHI:  (83 GLU C)-(84 SER N)-(84 SER CA)-(84 SER C) -97.0 -63.0
 &rst     iat =  1296,  1298,  1300,  1307,
   r1 = -98.0, r2 = -97.0, r3 = -63.0, r4 = -62.0,
 &end

# 84 SER PSI:  (84 SER N)-(84 SER CA)-(84 SER C)-(85 PHE N) -52.0 -18.0
 &rst     iat =  1298,  1300,  1307,  1309,
   r1 = -53.0, r2 = -52.0, r3 = -18.0, r4 = -17.0,
 &end

# 85 PHE PHI:  (84 SER C)-(85 PHE N)-(85 PHE CA)-(85 PHE C) -80.9 -58.9
 &rst     iat =  1307,  1309,  1311,  1327,
   r1 = -81.9, r2 = -80.9, r3 = -58.9, r4 = -57.9,
 &end

# 85 PHE CHI1:  (85 PHE N)-(85 PHE CA)-(85 PHE CB)-(85 PHE CG) 160.0 200.0
 &rst     iat =  1309,  1311,  1313,  1316,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 85 PHE PSI:  (85 PHE N)-(85 PHE CA)-(85 PHE C)-(86 LEU N) -42.1 -31.5
 &rst     iat =  1309,  1311,  1327,  1329,
   r1 = -43.1, r2 = -42.1, r3 = -31.5, r4 = -30.5,
 &end

# 86 LEU PHI:  (85 PHE C)-(86 LEU N)-(86 LEU CA)-(86 LEU C) -104.0 -60.0
 &rst     iat =  1327,  1329,  1331,  1346,
   r1 = -105.0, r2 = -104.0, r3 = -60.0, r4 = -59.0,
 &end

# 86 LEU PSI:  (86 LEU N)-(86 LEU CA)-(86 LEU C)-(87 ASP N) -34.0  14.0
 &rst     iat =  1329,  1331,  1346,  1348,
   r1 = -35.0, r2 = -34.0, r3 =  14.0, r4 =  15.0,
 &end

# 87 ASP PHI:  (86 LEU C)-(87 ASP N)-(87 ASP CA)-(87 ASP C) -180.0   0.0
 &rst     iat =  1346,  1348,  1350,  1358,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 89 PHE PHI:  (88 GLY C)-(89 PHE N)-(89 PHE CA)-(89 PHE C) -180.0   4.0
 &rst     iat =  1365,  1367,  1369,  1385,
   r1 = -181.0, r2 = -180.0, r3 =   4.0, r4 =   5.0,
 &end

# 90 ARG CHI1:  (90 ARG N)-(90 ARG CA)-(90 ARG CB)-(90 ARG CG) -80.0 -40.0
 &rst     iat =  1387,  1389,  1391,  1394,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &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 SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=33,38,36,37, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=35,40,44,39, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,48,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=54,60,58,59, &end
#
#  chirality for residue 4 atoms:  CG NE HD2 HD3
 &rst iat=57,63,61,62, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=50,72,53,54, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=76,81,79,80, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=81,87,85,86, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=74,94,77,78, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 6 atoms:  CB CD1 CD2 HG
 &rst iat=100,105,109,104, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=96,113,99,100, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=117,121,125,120, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=115,127,118,119, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=131,136,134,135, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=133,139,137,138, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=129,142,132,133, &end
#
#  chirality for residue 9 atoms:  N C HA2 HA3
 &rst iat=144,149,147,148, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=151,161,154,155, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=165,170,168,169, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=167,172,176,171, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=163,180,166,167, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=184,189,187,188, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=182,192,185,186, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=196,201,199,200, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=198,204,202,203, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=194,207,197,198, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=211,215,219,214, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=213,222,220,221, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=209,226,212,213, &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:  CA OG HB2 HB3
 &rst iat=241,246,244,245, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=239,248,242,243, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=250,268,253,254, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=272,277,275,276, &end
#
#  chirality for residue 18 atoms:  CB CD1 CD2 HG
 &rst iat=274,279,283,278, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=270,287,273,274, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=289,304,292,293, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=306,318,309,310, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=322,326,330,325, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=320,332,323,324, &end
#
#  chirality for residue 22 atoms:  CA CG2 CG1 HB
 &rst iat=336,340,344,339, &end
#
#  chirality for residue 22 atoms:  CB CD1 HG12 HG13
 &rst iat=338,347,345,346, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=334,351,337,338, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=355,360,358,359, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=353,362,356,357, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=366,371,369,370, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=364,374,367,368, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=376,394,379,380, &end
#
#  chirality for residue 26 atoms:  CA CG2 CG1 HB
 &rst iat=398,402,406,401, &end
#
#  chirality for residue 26 atoms:  CB CD1 HG12 HG13
 &rst iat=400,409,407,408, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=396,413,399,400, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=417,422,420,421, &end
#
#  chirality for residue 27 atoms:  CB CD1 CD2 HG
 &rst iat=419,424,428,423, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=415,432,418,419, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=436,441,439,440, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=438,444,442,443, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=444,450,448,449, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=441,447,445,446, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=434,454,437,438, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=458,463,461,462, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=460,466,464,465, &end
#
#  chirality for residue 29 atoms:  CG NE HD2 HD3
 &rst iat=463,469,467,468, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=456,478,459,460, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=482,486,490,485, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=480,494,483,484, &end
#
#  chirality for residue 31 atoms:  CA OG HB2 HB3
 &rst iat=498,503,501,502, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=496,505,499,500, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=507,515,510,511, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=521,527,525,526, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=527,533,531,532, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=524,530,528,529, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=517,537,520,521, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=541,546,544,545, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=543,549,547,548, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=539,552,542,543, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=556,560,564,559, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=558,567,565,566, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=554,571,557,558, &end
#
#  chirality for residue 36 atoms:  CA CG1 CG2 HB
 &rst iat=575,579,583,578, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=573,587,576,577, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=591,596,594,595, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=589,599,592,593, &end
#
#  chirality for residue 38 atoms:  CA CG2 CG1 HB
 &rst iat=603,607,611,606, &end
#
#  chirality for residue 38 atoms:  CB CD1 HG12 HG13
 &rst iat=605,614,612,613, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=601,618,604,605, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=622,627,625,626, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=620,630,623,624, &end
#
#  chirality for residue 40 atoms:  CA CG2 CG1 HB
 &rst iat=634,638,642,637, &end
#
#  chirality for residue 40 atoms:  CB CD1 HG12 HG13
 &rst iat=636,645,643,644, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=632,649,635,636, &end
#
#  chirality for residue 41 atoms:  CA CG2 OG1 HB
 &rst iat=653,657,661,656, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=651,663,654,655, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=667,671,675,670, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=665,679,668,669, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=683,688,686,687, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=685,690,694,689, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=681,698,684,685, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=702,706,710,705, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=700,714,703,704, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=718,723,721,722, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=720,726,724,725, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=716,729,719,720, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=733,738,736,737, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=731,750,734,735, &end
#
#  chirality for residue 47 atoms:  CA CG2 OG1 HB
 &rst iat=754,758,762,757, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=752,764,755,756, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=766,776,769,770, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=780,785,783,784, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=782,788,786,787, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=778,791,781,782, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=795,800,798,799, &end
#
#  chirality for residue 50 atoms:  CB CD1 CD2 HG
 &rst iat=797,802,806,801, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=793,810,796,797, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=816,822,820,821, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=822,828,826,827, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=819,825,823,824, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=812,832,815,816, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=836,840,844,839, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=834,848,837,838, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=852,857,855,856, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=850,860,853,854, &end
#
#  chirality for residue 54 atoms:  CA CG2 CG1 HB
 &rst iat=864,868,872,867, &end
#
#  chirality for residue 54 atoms:  CB CD1 HG12 HG13
 &rst iat=866,875,873,874, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=862,879,865,866, &end
#
#  chirality for residue 55 atoms:  CA OG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=881,890,884,885, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=892,900,895,896, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=904,909,907,908, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=906,912,910,911, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=902,915,905,906, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=919,924,922,923, &end
#
#  chirality for residue 58 atoms:  CB CD1 CD2 HG
 &rst iat=921,926,930,925, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=917,934,920,921, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=938,943,941,942, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=936,955,939,940, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=959,964,962,963, &end
#
#  chirality for residue 60 atoms:  CB CD1 CD2 HG
 &rst iat=961,966,970,965, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=957,974,960,961, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=976,986,979,980, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=990,995,993,994, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=992,998,996,997, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=988,1001,991,992, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1005,1010,1008,1009, &end
#
#  chirality for residue 63 atoms:  CB CD1 CD2 HG
 &rst iat=1007,1012,1016,1011, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1003,1020,1006,1007, &end
#
#  chirality for residue 64 atoms:  CA OG HB2 HB3
 &rst iat=1024,1029,1027,1028, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1022,1031,1025,1026, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1035,1040,1038,1039, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1033,1043,1036,1037, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1045,1053,1048,1049, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1057,1062,1060,1061, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1055,1065,1058,1059, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1077,1071,1075,1076, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1074,1068,1072,1073, &end
#
#  chirality for residue 68 atoms:  CG N HD2 HD3
 &rst iat=1071,1067,1069,1070, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1067,1079,1078,1074, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1081,1086,1084,1085, &end
#
#  chirality for residue 70 atoms:  CA CG2 CG1 HB
 &rst iat=1090,1094,1098,1093, &end
#
#  chirality for residue 70 atoms:  CB CD1 HG12 HG13
 &rst iat=1092,1101,1099,1100, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1088,1105,1091,1092, &end
#
#  chirality for residue 71 atoms:  CA CG1 CG2 HB
 &rst iat=1109,1113,1117,1112, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1107,1121,1110,1111, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1125,1130,1128,1129, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1123,1133,1126,1127, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1137,1142,1140,1141, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1139,1145,1143,1144, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1135,1148,1138,1139, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1150,1158,1153,1154, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1162,1166,1170,1165, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1160,1174,1163,1164, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1178,1183,1181,1182, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1176,1186,1179,1180, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1188,1196,1191,1192, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1198,1206,1201,1202, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1210,1215,1213,1214, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1208,1227,1211,1212, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1231,1236,1234,1235, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1233,1239,1237,1238, &end
#
#  chirality for residue 80 atoms:  CG NE HD2 HD3
 &rst iat=1236,1242,1240,1241, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1229,1251,1232,1233, &end
#
#  chirality for residue 81 atoms:  CA OG HB2 HB3
 &rst iat=1255,1260,1258,1259, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1253,1262,1256,1257, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1266,1271,1269,1270, &end
#
#  chirality for residue 82 atoms:  CB CD1 CD2 HG
 &rst iat=1268,1273,1277,1272, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1264,1281,1267,1268, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1285,1290,1288,1289, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1287,1293,1291,1292, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1283,1296,1286,1287, &end
#
#  chirality for residue 84 atoms:  CA OG HB2 HB3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1298,1307,1301,1302, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1311,1316,1314,1315, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1309,1327,1312,1313, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1331,1336,1334,1335, &end
#
#  chirality for residue 86 atoms:  CB CD1 CD2 HG
 &rst iat=1333,1338,1342,1337, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1329,1346,1332,1333, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1350,1355,1353,1354, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1348,1358,1351,1352, &end
#
#  chirality for residue 88 atoms:  N C HA2 HA3
 &rst iat=1360,1365,1363,1364, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1369,1374,1372,1373, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1367,1385,1370,1371, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1389,1394,1392,1393, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1391,1397,1395,1396, &end
#
#  chirality for residue 90 atoms:  CG NE HD2 HD3
 &rst iat=1394,1400,1398,1399, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1387,1409,1390,1391, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1413,1418,1416,1417, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1415,1421,1419,1420, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1411,1424,1414,1415, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=52,50,48,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=76,74,72,52, &end
#
#  trans-omega constraint for residue 6
 &rst iat=98,96,94,76, &end
#
#  trans-omega constraint for residue 7
 &rst iat=117,115,113,98, &end
#
#  trans-omega constraint for residue 8
 &rst iat=131,129,127,117, &end
#
#  trans-omega constraint for residue 9
 &rst iat=146,144,142,131, &end
#
#  trans-omega constraint for residue 10
 &rst iat=153,151,149,146, &end
#
#  trans-omega constraint for residue 11
 &rst iat=165,163,161,153, &end
#
#  trans-omega constraint for residue 12
 &rst iat=184,182,180,165, &end
#
#  trans-omega constraint for residue 13
 &rst iat=196,194,192,184, &end
#
#  trans-omega constraint for residue 14
 &rst iat=211,209,207,196, &end
#
#  trans-omega constraint for residue 15
 &rst iat=230,228,226,211, &end
#
#  trans-omega constraint for residue 16
 &rst iat=241,239,237,230, &end
#
#  trans-omega constraint for residue 17
 &rst iat=252,250,248,241, &end
#
#  trans-omega constraint for residue 18
 &rst iat=272,270,268,252, &end
#
#  trans-omega constraint for residue 19
 &rst iat=291,289,287,272, &end
#
#  trans-omega constraint for residue 20
 &rst iat=308,306,304,291, &end
#
#  trans-omega constraint for residue 21
 &rst iat=322,320,318,308, &end
#
#  trans-omega constraint for residue 22
 &rst iat=336,334,332,322, &end
#
#  trans-omega constraint for residue 23
 &rst iat=355,353,351,336, &end
#
#  trans-omega constraint for residue 24
 &rst iat=366,364,362,355, &end
#
#  trans-omega constraint for residue 25
 &rst iat=378,376,374,366, &end
#
#  trans-omega constraint for residue 26
 &rst iat=398,396,394,378, &end
#
#  trans-omega constraint for residue 27
 &rst iat=417,415,413,398, &end
#
#  trans-omega constraint for residue 28
 &rst iat=436,434,432,417, &end
#
#  trans-omega constraint for residue 29
 &rst iat=458,456,454,436, &end
#
#  trans-omega constraint for residue 30
 &rst iat=482,480,478,458, &end
#
#  trans-omega constraint for residue 31
 &rst iat=498,496,494,482, &end
#
#  trans-omega constraint for residue 32
 &rst iat=509,507,505,498, &end
#
#  trans-omega constraint for residue 33
 &rst iat=519,517,515,509, &end
#
#  trans-omega constraint for residue 34
 &rst iat=541,539,537,519, &end
#
#  trans-omega constraint for residue 35
 &rst iat=556,554,552,541, &end
#
#  trans-omega constraint for residue 36
 &rst iat=575,573,571,556, &end
#
#  trans-omega constraint for residue 37
 &rst iat=591,589,587,575, &end
#
#  trans-omega constraint for residue 38
 &rst iat=603,601,599,591, &end
#
#  trans-omega constraint for residue 39
 &rst iat=622,620,618,603, &end
#
#  trans-omega constraint for residue 40
 &rst iat=634,632,630,622, &end
#
#  trans-omega constraint for residue 41
 &rst iat=653,651,649,634, &end
#
#  trans-omega constraint for residue 42
 &rst iat=667,665,663,653, &end
#
#  trans-omega constraint for residue 43
 &rst iat=683,681,679,667, &end
#
#  trans-omega constraint for residue 44
 &rst iat=702,700,698,683, &end
#
#  trans-omega constraint for residue 45
 &rst iat=718,716,714,702, &end
#
#  trans-omega constraint for residue 46
 &rst iat=733,731,729,718, &end
#
#  trans-omega constraint for residue 47
 &rst iat=754,752,750,733, &end
#
#  trans-omega constraint for residue 48
 &rst iat=768,766,764,754, &end
#
#  trans-omega constraint for residue 49
 &rst iat=780,778,776,768, &end
#
#  trans-omega constraint for residue 50
 &rst iat=795,793,791,780, &end
#
#  trans-omega constraint for residue 51
 &rst iat=814,812,810,795, &end
#
#  trans-omega constraint for residue 52
 &rst iat=836,834,832,814, &end
#
#  trans-omega constraint for residue 53
 &rst iat=852,850,848,836, &end
#
#  trans-omega constraint for residue 54
 &rst iat=864,862,860,852, &end
#
#  trans-omega constraint for residue 55
 &rst iat=883,881,879,864, &end
#
#  trans-omega constraint for residue 56
 &rst iat=894,892,890,883, &end
#
#  trans-omega constraint for residue 57
 &rst iat=904,902,900,894, &end
#
#  trans-omega constraint for residue 58
 &rst iat=919,917,915,904, &end
#
#  trans-omega constraint for residue 59
 &rst iat=938,936,934,919, &end
#
#  trans-omega constraint for residue 60
 &rst iat=959,957,955,938, &end
#
#  trans-omega constraint for residue 61
 &rst iat=978,976,974,959, &end
#
#  trans-omega constraint for residue 62
 &rst iat=990,988,986,978, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1005,1003,1001,990, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1024,1022,1020,1005, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1035,1033,1031,1024, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1047,1045,1043,1035, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1057,1055,1053,1047, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1077,1067,1065,1057, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1083,1081,1079,1077, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1090,1088,1086,1083, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1109,1107,1105,1090, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1125,1123,1121,1109, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1137,1135,1133,1125, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1152,1150,1148,1137, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1162,1160,1158,1152, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1178,1176,1174,1162, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1190,1188,1186,1178, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1200,1198,1196,1190, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1210,1208,1206,1200, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1231,1229,1227,1210, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1255,1253,1251,1231, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1266,1264,1262,1255, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1285,1283,1281,1266, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1300,1298,1296,1285, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1311,1309,1307,1300, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1331,1329,1327,1311, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1350,1348,1346,1331, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1362,1360,1358,1350, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1369,1367,1365,1362, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1389,1387,1385,1369, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1413,1411,1409,1389, &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H1       MET   1 -12.068   3.400 -18.688
    2    HA   MET   1           HA       MET   1 -10.452   4.149 -17.082
    3   1HB   MET   1          2HB       MET   1  -8.773   5.798 -17.717
    4   2HB   MET   1          3HB       MET   1  -8.499   4.244 -18.490
    5   1HG   MET   1          2HG       MET   1  -9.473   5.139 -20.600
    6   2HG   MET   1          3HG       MET   1  -9.687   6.711 -19.813
    7   1HE   MET   1          1HE       MET   1  -8.130   6.228 -22.572
    8   2HE   MET   1          2HE       MET   1  -8.360   7.827 -21.824
    9   3HE   MET   1          3HE       MET   1  -6.740   7.311 -22.346
   10    H    SER   2           H        SER   2 -11.010   5.907 -15.863
   11    HA   SER   2           HA       SER   2 -12.835   7.951 -16.961
   12   1HB   SER   2          2HB       SER   2 -14.282   5.999 -16.619
   13   2HB   SER   2          3HB       SER   2 -13.693   5.828 -14.950
   14    HG   SER   2           HG       SER   2 -14.431   7.992 -14.622
   15    H    LEU   3           H        LEU   3 -10.260   8.255 -15.842
   16    HA   LEU   3           HA       LEU   3 -10.731   9.381 -13.139
   17   1HB   LEU   3          2HB       LEU   3  -8.492   8.796 -12.555
   18   2HB   LEU   3          3HB       LEU   3  -9.381   7.386 -13.051
   19    HG   LEU   3           HG       LEU   3  -7.779   8.669 -15.234
   20   1HD1  LEU   3          1HD1      LEU   3  -6.232   8.937 -13.345
   21   2HD1  LEU   3          2HD1      LEU   3  -6.429   7.220 -12.914
   22   3HD1  LEU   3          3HD1      LEU   3  -5.660   7.684 -14.451
   23   1HD2  LEU   3          1HD2      LEU   3  -7.940   5.791 -14.235
   24   2HD2  LEU   3          2HD2      LEU   3  -8.986   6.480 -15.490
   25   3HD2  LEU   3          3HD2      LEU   3  -7.238   6.348 -15.768
   26    H    ARG   4           H        ARG   4  -8.040  10.565 -13.177
   27    HA   ARG   4           HA       ARG   4  -8.560  13.031 -14.799
   28   1HB   ARG   4          2HB       ARG   4  -7.558  12.668 -11.957
   29   2HB   ARG   4          3HB       ARG   4  -7.559  14.221 -12.785
   30   1HG   ARG   4          2HG       ARG   4 -10.006  12.597 -11.954
   31   2HG   ARG   4          3HG       ARG   4  -9.348  14.007 -11.140
   32   1HD   ARG   4          2HD       ARG   4 -11.230  14.768 -12.358
   33   2HD   ARG   4          3HD       ARG   4  -9.795  15.367 -13.215
   34    HE   ARG   4           HE       ARG   4 -10.661  12.799 -14.231
   35   1HH1  ARG   4          1HH2      ARG   4 -11.553  16.176 -14.551
   36   2HH1  ARG   4          2HH2      ARG   4 -12.084  15.959 -16.200
   37   1HH2  ARG   4          1HH1      ARG   4 -11.233  12.558 -16.190
   38   2HH2  ARG   4          2HH1      ARG   4 -11.957  13.856 -17.143
   39    H    LYS   5           H        LYS   5  -6.533  14.448 -14.802
   40    HA   LYS   5           HA       LYS   5  -4.389  12.984 -16.177
   41   1HB   LYS   5          2HB       LYS   5  -4.924  15.902 -15.485
   42   2HB   LYS   5          3HB       LYS   5  -3.300  15.376 -15.896
   43   1HG   LYS   5          2HG       LYS   5  -4.243  16.231 -17.861
   44   2HG   LYS   5          3HG       LYS   5  -4.077  14.486 -18.061
   45   1HD   LYS   5          2HD       LYS   5  -6.500  14.194 -17.629
   46   2HD   LYS   5          3HD       LYS   5  -6.683  15.940 -17.387
   47   1HE   LYS   5          2HE       LYS   5  -5.722  14.571 -19.944
   48   2HE   LYS   5          3HE       LYS   5  -7.369  15.151 -19.665
   49   1HZ   LYS   5          1HZ       LYS   5  -6.482  17.395 -19.456
   50   2HZ   LYS   5          2HZ       LYS   5  -4.951  16.857 -19.707
   51   3HZ   LYS   5          3HZ       LYS   5  -6.062  16.756 -20.914
   52    H    LEU   6           H        LEU   6  -2.969  11.836 -15.027
   53    HA   LEU   6           HA       LEU   6  -2.850  12.054 -12.199
   54   1HB   LEU   6          2HB       LEU   6  -1.125  10.518 -14.188
   55   2HB   LEU   6          3HB       LEU   6  -1.042  10.313 -12.446
   56    HG   LEU   6           HG       LEU   6  -3.490   9.718 -14.160
   57   1HD1  LEU   6          1HD1      LEU   6  -1.618   8.139 -14.504
   58   2HD1  LEU   6          2HD1      LEU   6  -1.533   7.857 -12.750
   59   3HD1  LEU   6          3HD1      LEU   6  -2.978   7.371 -13.663
   60   1HD2  LEU   6          1HD2      LEU   6  -2.968   9.410 -11.171
   61   2HD2  LEU   6          2HD2      LEU   6  -4.279  10.314 -11.974
   62   3HD2  LEU   6          3HD2      LEU   6  -4.259   8.549 -12.021
   63    H    THR   7           H        THR   7  -2.032  13.795 -11.251
   64    HA   THR   7           HA       THR   7   0.901  14.246 -11.567
   65    HB   THR   7           HB       THR   7  -0.334  16.093 -12.635
   66    HG1  THR   7           1HG      THR   7   0.761  17.701 -11.459
   67   1HG2  THR   7          1HG2      THR   7  -2.378  16.228 -11.308
   68   2HG2  THR   7          2HG2      THR   7  -1.451  16.677  -9.862
   69   3HG2  THR   7          3HG2      THR   7  -1.513  17.767 -11.264
   70    H    GLU   8           H        GLU   8   1.273  15.879  -9.444
   71    HA   GLU   8           HA       GLU   8   1.793  14.181  -7.341
   72   1HB   GLU   8          2HB       GLU   8   1.096  17.139  -7.197
   73   2HB   GLU   8          3HB       GLU   8   1.918  16.232  -5.921
   74   1HG   GLU   8          2HG       GLU   8   3.835  15.803  -7.353
   75   2HG   GLU   8          3HG       GLU   8   3.025  16.512  -8.752
   76    H    GLY   9           H        GLY   9  -1.227  16.087  -7.662
   77   1HA   GLY   9          2HA       GLY   9  -2.394  15.367  -5.155
   78   2HA   GLY   9          3HA       GLY   9  -3.265  15.917  -6.598
   79    H    ASP  10           H        ASP  10  -3.103  14.000  -8.454
   80    HA   ASP  10           HA       ASP  10  -4.913  11.999  -7.576
   81   1HB   ASP  10          2HB       ASP  10  -3.050  11.675  -9.967
   82   2HB   ASP  10          3HB       ASP  10  -4.730  11.178  -9.797
   83    H    LEU  11           H        LEU  11  -1.423  12.008  -8.180
   84    HA   LEU  11           HA       LEU  11  -0.984   9.188  -7.796
   85   1HB   LEU  11          2HB       LEU  11   0.852  11.617  -7.849
   86   2HB   LEU  11          3HB       LEU  11   1.430   9.972  -7.761
   87    HG   LEU  11           HG       LEU  11  -0.213  11.126 -10.069
   88   1HD1  LEU  11          1HD1      LEU  11   2.123  11.945  -9.966
   89   2HD1  LEU  11          2HD1      LEU  11   2.703  10.263  -9.961
   90   3HD1  LEU  11          3HD1      LEU  11   1.835  10.907 -11.373
   91   1HD2  LEU  11          1HD2      LEU  11   0.917   8.358  -9.658
   92   2HD2  LEU  11          2HD2      LEU  11  -0.766   8.803  -9.991
   93   3HD2  LEU  11          3HD2      LEU  11   0.467   8.982 -11.251
   94    H    ASP  12           H        ASP  12  -0.661  12.025  -5.527
   95    HA   ASP  12           HA       ASP  12  -0.130  10.196  -3.370
   96   1HB   ASP  12          2HB       ASP  12  -0.482  13.157  -3.466
   97   2HB   ASP  12          3HB       ASP  12  -0.822  12.337  -1.953
   98    H    GLU  13           H        GLU  13  -3.265  11.477  -4.553
   99    HA   GLU  13           HA       GLU  13  -4.786  10.337  -2.405
  100   1HB   GLU  13          2HB       GLU  13  -5.379  10.569  -5.380
  101   2HB   GLU  13          3HB       GLU  13  -6.515   9.860  -4.234
  102   1HG   GLU  13          2HG       GLU  13  -6.576  11.938  -2.930
  103   2HG   GLU  13          3HG       GLU  13  -5.441  12.702  -4.038
  104    H    ILE  14           H        ILE  14  -3.394   8.762  -5.321
  105    HA   ILE  14           HA       ILE  14  -4.151   6.087  -4.510
  106    HB   ILE  14           HB       ILE  14  -2.151   7.176  -6.491
  107   1HG1  ILE  14          2HG1      ILE  14  -4.796   5.672  -6.813
  108   2HG1  ILE  14          3HG1      ILE  14  -4.623   7.419  -6.927
  109   1HG2  ILE  14          1HG2      ILE  14  -1.227   5.040  -5.742
  110   2HG2  ILE  14          2HG2      ILE  14  -2.808   4.247  -5.936
  111   3HG2  ILE  14          3HG2      ILE  14  -1.896   4.836  -7.347
  112   1HD1  ILE  14          1HD1      ILE  14  -3.097   7.128  -8.890
  113   2HD1  ILE  14          2HD1      ILE  14  -3.461   5.381  -8.857
  114   3HD1  ILE  14          3HD1      ILE  14  -4.756   6.545  -9.146
  115    H    SER  15           H        SER  15  -0.997   7.888  -4.054
  116    HA   SER  15           HA       SER  15   0.300   5.826  -2.686
  117   1HB   SER  15          2HB       SER  15   1.945   7.326  -2.183
  118   2HB   SER  15          3HB       SER  15   1.118   8.254  -3.431
  119    HG   SER  15           HG       SER  15   1.225   9.758  -1.797
  120    H    SER  16           H        SER  16  -1.860   8.283  -1.332
  121    HA   SER  16           HA       SER  16  -1.796   7.432   1.396
  122   1HB   SER  16          2HB       SER  16  -2.578   9.639   0.581
  123   2HB   SER  16          3HB       SER  16  -3.990   8.860  -0.162
  124    HG   SER  16           HG       SER  16  -4.437   9.689   1.930
  125    H    PHE  17           H        PHE  17  -4.093   6.578  -1.308
  126    HA   PHE  17           HA       PHE  17  -5.713   4.815   0.239
  127   1HB   PHE  17          2HB       PHE  17  -6.385   5.612  -1.951
  128   2HB   PHE  17          3HB       PHE  17  -4.995   4.855  -2.713
  129    HD1  PHE  17           HD1      PHE  17  -7.950   3.907  -0.565
  130    HD2  PHE  17           HD2      PHE  17  -5.315   2.797  -3.793
  131    HE1  PHE  17           HE1      PHE  17  -9.260   1.829  -0.924
  132    HE2  PHE  17           HE2      PHE  17  -6.633   0.723  -4.152
  133    HZ   PHE  17           HZ       PHE  17  -8.600   0.233  -2.712
  134    H    LEU  18           H        LEU  18  -2.700   4.152  -1.596
  135    HA   LEU  18           HA       LEU  18  -2.571   1.352  -0.944
  136   1HB   LEU  18          2HB       LEU  18  -0.499   3.425  -1.761
  137   2HB   LEU  18          3HB       LEU  18  -0.104   1.719  -1.551
  138    HG   LEU  18           HG       LEU  18  -2.247   2.715  -3.492
  139   1HD1  LEU  18          1HD1      LEU  18  -0.086   3.579  -4.203
  140   2HD1  LEU  18          2HD1      LEU  18   0.656   1.969  -4.028
  141   3HD1  LEU  18          3HD1      LEU  18  -0.584   2.265  -5.268
  142   1HD2  LEU  18          1HD2      LEU  18  -0.876   0.023  -3.138
  143   2HD2  LEU  18          2HD2      LEU  18  -2.602   0.389  -2.901
  144   3HD2  LEU  18          3HD2      LEU  18  -1.888   0.496  -4.508
  145    H    HIS  19           H        HIS  19  -1.033   4.215   0.674
  146    HA   HIS  19           HA       HIS  19   0.234   2.743   2.736
  147   1HB   HIS  19          2HB       HIS  19   0.789   5.046   2.329
  148   2HB   HIS  19          3HB       HIS  19  -0.871   5.564   2.610
  149    HD1  HIS  19           HD1      HIS  19  -0.384   7.149   4.632
  150    HD2  HIS  19           HD2      HIS  19   0.975   3.207   5.115
  151    HE1  HIS  19           HE1      HIS  19   0.309   6.904   7.084
  152    H    ASN  20           H        ASN  20  -3.082   4.235   2.766
  153    HA   ASN  20           HA       ASN  20  -3.756   3.169   5.337
  154   1HB   ASN  20          2HB       ASN  20  -5.138   4.661   3.270
  155   2HB   ASN  20          3HB       ASN  20  -6.141   3.293   3.743
  156   1HD2  ASN  20          2HD2      ASN  20  -6.650   3.006   6.145
  157   2HD2  ASN  20          1HD2      ASN  20  -6.621   4.499   7.086
  158    H    THR  21           H        THR  21  -4.095   1.725   2.056
  159    HA   THR  21           HA       THR  21  -5.544  -0.566   2.876
  160    HB   THR  21           HB       THR  21  -3.502  -0.353   0.619
  161    HG1  THR  21           1HG      THR  21  -5.148   1.133   0.355
  162   1HG2  THR  21          1HG2      THR  21  -4.015  -2.710   1.000
  163   2HG2  THR  21          2HG2      THR  21  -5.755  -2.346   1.116
  164   3HG2  THR  21          3HG2      THR  21  -4.903  -2.149  -0.428
  165    H    ILE  22           H        ILE  22  -1.944  -0.132   2.720
  166    HA   ILE  22           HA       ILE  22  -1.380  -2.749   3.829
  167    HB   ILE  22           HB       ILE  22   0.266  -0.200   3.913
  168   1HG1  ILE  22          2HG1      ILE  22   0.267  -2.537   1.961
  169   2HG1  ILE  22          3HG1      ILE  22  -0.247  -0.885   1.624
  170   1HG2  ILE  22          1HG2      ILE  22   0.993  -2.110   5.560
  171   2HG2  ILE  22          2HG2      ILE  22   1.410  -3.017   4.086
  172   3HG2  ILE  22          3HG2      ILE  22   2.202  -1.500   4.447
  173   1HD1  ILE  22          1HD1      ILE  22   2.203  -0.265   2.413
  174   2HD1  ILE  22          2HD1      ILE  22   2.501  -1.975   1.977
  175   3HD1  ILE  22          3HD1      ILE  22   1.815  -0.830   0.770
  176    H    SER  23           H        SER  23  -1.716   0.508   5.378
  177    HA   SER  23           HA       SER  23  -1.042  -0.334   8.000
  178   1HB   SER  23          2HB       SER  23  -1.165   2.011   7.195
  179   2HB   SER  23          3HB       SER  23  -2.939   1.901   7.186
  180    HG   SER  23           HG       SER  23  -2.008   2.789   9.135
  181    H    ASP  24           H        ASP  24  -4.345  -0.014   6.552
  182    HA   ASP  24           HA       ASP  24  -5.749  -1.110   8.798
  183   1HB   ASP  24          2HB       ASP  24  -6.468  -0.927   5.844
  184   2HB   ASP  24          3HB       ASP  24  -7.578  -1.444   7.113
  185    H    PHE  25           H        PHE  25  -4.232  -2.692   5.918
  186    HA   PHE  25           HA       PHE  25  -5.209  -5.302   6.568
  187   1HB   PHE  25          2HB       PHE  25  -4.270  -4.607   4.374
  188   2HB   PHE  25          3HB       PHE  25  -2.657  -4.587   5.086
  189    HD1  PHE  25           HD1      PHE  25  -5.192  -6.570   3.477
  190    HD2  PHE  25           HD2      PHE  25  -1.786  -6.809   6.107
  191    HE1  PHE  25           HE1      PHE  25  -5.080  -9.024   3.114
  192    HE2  PHE  25           HE2      PHE  25  -1.657  -9.231   5.715
  193    HZ   PHE  25           HZ       PHE  25  -3.311 -10.363   4.243
  194    H    ILE  26           H        ILE  26  -2.124  -3.613   7.546
  195    HA   ILE  26           HA       ILE  26  -1.116  -5.771   9.107
  196    HB   ILE  26           HB       ILE  26  -0.687  -2.771   9.028
  197   1HG1  ILE  26          2HG1      ILE  26   1.100  -5.184   8.429
  198   2HG1  ILE  26          3HG1      ILE  26   0.232  -4.236   7.227
  199   1HG2  ILE  26          1HG2      ILE  26  -0.438  -3.361  11.367
  200   2HG2  ILE  26          2HG2      ILE  26   0.625  -4.729  10.944
  201   3HG2  ILE  26          3HG2      ILE  26   1.131  -3.042  10.669
  202   1HD1  ILE  26          1HD1      ILE  26   1.554  -2.205   7.953
  203   2HD1  ILE  26          2HD1      ILE  26   2.556  -3.296   8.941
  204   3HD1  ILE  26          3HD1      ILE  26   2.497  -3.503   7.188
  205    H    LEU  27           H        LEU  27  -3.267  -2.993  10.013
  206    HA   LEU  27           HA       LEU  27  -3.642  -3.877  12.708
  207   1HB   LEU  27          2HB       LEU  27  -4.997  -1.958  10.837
  208   2HB   LEU  27          3HB       LEU  27  -5.903  -2.486  12.245
  209    HG   LEU  27           HG       LEU  27  -4.223  -1.695  13.777
  210   1HD1  LEU  27          1HD1      LEU  27  -2.127  -2.030  12.540
  211   2HD1  LEU  27          2HD1      LEU  27  -2.593  -0.763  11.380
  212   3HD1  LEU  27          3HD1      LEU  27  -2.271  -0.352  13.068
  213   1HD2  LEU  27          1HD2      LEU  27  -4.842   0.401  11.654
  214   2HD2  LEU  27          2HD2      LEU  27  -5.938  -0.115  12.955
  215   3HD2  LEU  27          3HD2      LEU  27  -4.425   0.720  13.352
  216    H    LYS  28           H        LYS  28  -5.319  -5.011   9.752
  217    HA   LYS  28           HA       LYS  28  -7.006  -6.762  11.428
  218   1HB   LYS  28          2HB       LYS  28  -8.294  -7.194   9.643
  219   2HB   LYS  28          3HB       LYS  28  -7.682  -5.610   9.191
  220   1HG   LYS  28          2HG       LYS  28  -5.906  -6.910   7.814
  221   2HG   LYS  28          3HG       LYS  28  -6.891  -8.335   8.075
  222   1HD   LYS  28          2HD       LYS  28  -7.826  -5.754   6.754
  223   2HD   LYS  28          3HD       LYS  28  -7.305  -7.221   5.906
  224   1HE   LYS  28          2HE       LYS  28  -9.116  -8.509   7.035
  225   2HE   LYS  28          3HE       LYS  28  -9.668  -7.025   7.826
  226   1HZ   LYS  28          1HZ       LYS  28 -10.085  -6.086   5.636
  227   2HZ   LYS  28          2HZ       LYS  28  -9.569  -7.461   4.899
  228   3HZ   LYS  28          3HZ       LYS  28 -10.935  -7.484   5.818
  229    H    ARG  29           H        ARG  29  -3.850  -6.919  10.744
  230    HA   ARG  29           HA       ARG  29  -3.747  -9.917  10.900
  231   1HB   ARG  29          2HB       ARG  29  -2.141  -7.798   9.568
  232   2HB   ARG  29          3HB       ARG  29  -1.188  -8.905  10.492
  233   1HG   ARG  29          2HG       ARG  29  -1.361  -9.544   8.138
  234   2HG   ARG  29          3HG       ARG  29  -1.984 -10.805   9.197
  235   1HD   ARG  29          2HD       ARG  29  -3.855  -8.796   7.891
  236   2HD   ARG  29          3HD       ARG  29  -3.259 -10.206   7.011
  237    HE   ARG  29           HE       ARG  29  -5.174 -10.222   9.209
  238   1HH1  ARG  29          1HH2      ARG  29  -2.954 -12.263   7.185
  239   2HH1  ARG  29          2HH2      ARG  29  -3.674 -13.707   7.809
  240   1HH2  ARG  29          1HH1      ARG  29  -6.019 -12.146   9.841
  241   2HH2  ARG  29          2HH1      ARG  29  -5.414 -13.660   9.214
  242    H    VAL  30           H        VAL  30  -2.259  -7.018  12.456
  243    HA   VAL  30           HA       VAL  30  -2.149  -8.482  15.003
  244    HB   VAL  30           HB       VAL  30  -0.123  -9.205  13.834
  245   1HG1  VAL  30          1HG1      VAL  30   0.317  -7.176  12.443
  246   2HG1  VAL  30          2HG1      VAL  30   0.856  -6.339  13.915
  247   3HG1  VAL  30          3HG1      VAL  30   1.733  -7.766  13.321
  248   1HG2  VAL  30          1HG2      VAL  30   0.558  -7.404  16.176
  249   2HG2  VAL  30          2HG2      VAL  30  -0.142  -9.034  16.289
  250   3HG2  VAL  30          3HG2      VAL  30   1.466  -8.817  15.593
  251    H    SER  31           H        SER  31  -1.852  -7.062  16.862
  252    HA   SER  31           HA       SER  31  -3.373  -4.689  16.377
  253   1HB   SER  31          2HB       SER  31  -3.675  -6.044  18.384
  254   2HB   SER  31          3HB       SER  31  -2.039  -5.612  18.915
  255    HG   SER  31           HG       SER  31  -3.824  -4.334  19.773
  256    H    ALA  32           H        ALA  32  -2.946  -2.649  16.389
  257    HA   ALA  32           HA       ALA  32  -0.463  -1.380  15.984
  258   1HB   ALA  32          1HB       ALA  32  -2.666  -0.401  15.447
  259   2HB   ALA  32          2HB       ALA  32  -3.034  -0.267  17.182
  260   3HB   ALA  32          3HB       ALA  32  -1.704   0.676  16.474
  261    H    LYS  33           H        LYS  33  -1.893  -2.531  18.990
  262    HA   LYS  33           HA       LYS  33   0.061  -1.010  20.635
  263   1HB   LYS  33          2HB       LYS  33  -2.445  -1.254  21.131
  264   2HB   LYS  33          3HB       LYS  33  -2.092  -2.914  21.621
  265   1HG   LYS  33          2HG       LYS  33  -0.597  -2.120  23.387
  266   2HG   LYS  33          3HG       LYS  33  -0.706  -0.454  22.803
  267   1HD   LYS  33          2HD       LYS  33  -3.053  -2.066  23.893
  268   2HD   LYS  33          3HD       LYS  33  -2.069  -0.937  24.843
  269   1HE   LYS  33          2HE       LYS  33  -2.682   0.908  23.284
  270   2HE   LYS  33          3HE       LYS  33  -3.716  -0.205  22.380
  271   1HZ   LYS  33          1HZ       LYS  33  -5.025  -0.527  24.390
  272   2HZ   LYS  33          2HZ       LYS  33  -4.070   0.522  25.225
  273   3HZ   LYS  33          3HZ       LYS  33  -4.992   1.065  23.976
  274    H    GLU  34           H        GLU  34   0.014  -4.025  19.055
  275    HA   GLU  34           HA       GLU  34   2.043  -5.278  20.870
  276   1HB   GLU  34          2HB       GLU  34   0.720  -6.206  18.282
  277   2HB   GLU  34          3HB       GLU  34   1.891  -7.143  19.199
  278   1HG   GLU  34          2HG       GLU  34   0.392  -7.340  21.086
  279   2HG   GLU  34          3HG       GLU  34  -0.767  -6.231  20.369
  280    H    ILE  35           H        ILE  35   1.608  -3.453  18.040
  281    HA   ILE  35           HA       ILE  35   4.222  -3.592  16.785
  282    HB   ILE  35           HB       ILE  35   1.666  -2.012  16.434
  283   1HG1  ILE  35          2HG1      ILE  35   3.134  -3.990  14.633
  284   2HG1  ILE  35          3HG1      ILE  35   1.784  -4.411  15.673
  285   1HG2  ILE  35          1HG2      ILE  35   3.470  -0.447  15.861
  286   2HG2  ILE  35          2HG2      ILE  35   4.189  -1.672  14.780
  287   3HG2  ILE  35          3HG2      ILE  35   2.602  -0.942  14.435
  288   1HD1  ILE  35          1HD1      ILE  35   0.332  -2.793  14.409
  289   2HD1  ILE  35          2HD1      ILE  35   1.674  -2.573  13.257
  290   3HD1  ILE  35          3HD1      ILE  35   0.928  -4.156  13.458
  291    H    VAL  36           H        VAL  36   5.924  -2.375  17.197
  292    HA   VAL  36           HA       VAL  36   5.915  -0.198  19.210
  293    HB   VAL  36           HB       VAL  36   8.031  -1.549  17.486
  294   1HG1  VAL  36          1HG1      VAL  36   8.673   0.782  17.402
  295   2HG1  VAL  36          2HG1      VAL  36   8.400   0.971  19.152
  296   3HG1  VAL  36          3HG1      VAL  36   9.721  -0.058  18.547
  297   1HG2  VAL  36          1HG2      VAL  36   7.836  -1.114  20.501
  298   2HG2  VAL  36          2HG2      VAL  36   7.273  -2.567  19.663
  299   3HG2  VAL  36          3HG2      VAL  36   8.995  -2.148  19.631
  300    H    ASP  37           H        ASP  37   6.472  -0.648  15.654
  301    HA   ASP  37           HA       ASP  37   4.857   1.640  15.104
  302   1HB   ASP  37          2HB       ASP  37   7.385   2.485  15.720
  303   2HB   ASP  37          3HB       ASP  37   7.595   2.184  14.004
  304    H    ILE  38           H        ILE  38   5.064   2.293  12.692
  305    HA   ILE  38           HA       ILE  38   5.867   0.057  10.918
  306    HB   ILE  38           HB       ILE  38   3.859   0.457   9.469
  307   1HG1  ILE  38          2HG1      ILE  38   2.634   1.747  11.949
  308   2HG1  ILE  38          3HG1      ILE  38   3.051   2.582  10.451
  309   1HG2  ILE  38          1HG2      ILE  38   4.183  -1.537  10.859
  310   2HG2  ILE  38          2HG2      ILE  38   3.277  -0.776  12.180
  311   3HG2  ILE  38          3HG2      ILE  38   2.482  -1.155  10.630
  312   1HD1  ILE  38          1HD1      ILE  38   1.420   1.108   9.223
  313   2HD1  ILE  38          2HD1      ILE  38   0.895   0.466  10.799
  314   3HD1  ILE  38          3HD1      ILE  38   0.693   2.183  10.433
  315    H    ASP  39           H        ASP  39   6.700   0.658   9.010
  316    HA   ASP  39           HA       ASP  39   6.894   3.598   8.410
  317   1HB   ASP  39          2HB       ASP  39   9.085   1.519   8.579
  318   2HB   ASP  39          3HB       ASP  39   9.234   2.938   7.542
  319    H    ILE  40           H        ILE  40   5.785   3.904   6.567
  320    HA   ILE  40           HA       ILE  40   5.966   1.850   4.407
  321    HB   ILE  40           HB       ILE  40   3.476   3.186   5.503
  322   1HG1  ILE  40          2HG1      ILE  40   3.999   0.255   4.910
  323   2HG1  ILE  40          3HG1      ILE  40   4.445   0.949   6.470
  324   1HG2  ILE  40          1HG2      ILE  40   3.304   3.334   3.066
  325   2HG2  ILE  40          2HG2      ILE  40   3.886   1.661   2.877
  326   3HG2  ILE  40          3HG2      ILE  40   2.294   1.991   3.579
  327   1HD1  ILE  40          1HD1      ILE  40   2.098   1.566   6.890
  328   2HD1  ILE  40          2HD1      ILE  40   1.642   0.802   5.344
  329   3HD1  ILE  40          3HD1      ILE  40   2.341  -0.181   6.642
  330    H    THR  41           H        THR  41   6.795   2.620   2.687
  331    HA   THR  41           HA       THR  41   6.349   5.478   1.928
  332    HB   THR  41           HB       THR  41   8.837   3.859   1.280
  333    HG1  THR  41           1HG      THR  41   9.821   5.150   2.806
  334   1HG2  THR  41          1HG2      THR  41   8.223   5.714  -0.325
  335   2HG2  THR  41          2HG2      THR  41   8.213   6.845   1.039
  336   3HG2  THR  41          3HG2      THR  41   9.723   6.038   0.559
  337    H    VAL  42           H        VAL  42   5.067   5.573   0.242
  338    HA   VAL  42           HA       VAL  42   5.067   3.388  -1.805
  339    HB   VAL  42           HB       VAL  42   2.939   5.485  -1.187
  340   1HG1  VAL  42          1HG1      VAL  42   2.932   4.971  -3.566
  341   2HG1  VAL  42          2HG1      VAL  42   3.085   3.230  -3.243
  342   3HG1  VAL  42          3HG1      VAL  42   1.601   4.093  -2.809
  343   1HG2  VAL  42          1HG2      VAL  42   2.884   2.471  -0.759
  344   2HG2  VAL  42          2HG2      VAL  42   2.996   3.689   0.529
  345   3HG2  VAL  42          3HG2      VAL  42   1.546   3.604  -0.467
  346    H    LEU  43           H        LEU  43   6.014   3.880  -3.674
  347    HA   LEU  43           HA       LEU  43   6.448   6.750  -4.383
  348   1HB   LEU  43          2HB       LEU  43   8.242   4.415  -5.137
  349   2HB   LEU  43          3HB       LEU  43   8.467   6.113  -5.496
  350    HG   LEU  43           HG       LEU  43   8.428   6.328  -2.804
  351   1HD1  LEU  43          1HD1      LEU  43   8.093   3.895  -2.357
  352   2HD1  LEU  43          2HD1      LEU  43   9.533   3.519  -3.317
  353   3HD1  LEU  43          3HD1      LEU  43   9.685   4.421  -1.797
  354   1HD2  LEU  43          1HD2      LEU  43  10.829   5.387  -4.424
  355   2HD2  LEU  43          2HD2      LEU  43  10.254   7.063  -4.273
  356   3HD2  LEU  43          3HD2      LEU  43  10.888   6.221  -2.852
  357    H    VAL  44           H        VAL  44   5.914   7.352  -6.428
  358    HA   VAL  44           HA       VAL  44   5.126   5.322  -8.393
  359    HB   VAL  44           HB       VAL  44   3.032   5.736  -7.261
  360   1HG1  VAL  44          1HG1      VAL  44   3.453   7.933  -6.245
  361   2HG1  VAL  44          2HG1      VAL  44   3.366   8.693  -7.847
  362   3HG1  VAL  44          3HG1      VAL  44   1.940   7.880  -7.143
  363   1HG2  VAL  44          1HG2      VAL  44   2.986   7.274  -9.884
  364   2HG2  VAL  44          2HG2      VAL  44   3.102   5.515  -9.777
  365   3HG2  VAL  44          3HG2      VAL  44   1.677   6.322  -9.127
  366    H    GLU  45           H        GLU  45   5.660   5.883 -10.429
  367    HA   GLU  45           HA       GLU  45   6.795   8.593 -10.928
  368   1HB   GLU  45          2HB       GLU  45   8.528   7.033  -9.902
  369   2HB   GLU  45          3HB       GLU  45   8.354   6.006 -11.329
  370   1HG   GLU  45          2HG       GLU  45   9.107   7.911 -12.763
  371   2HG   GLU  45          3HG       GLU  45   9.236   8.928 -11.328
  372    H    TYR  46           H        TYR  46   7.268   8.971 -13.209
  373    HA   TYR  46           HA       TYR  46   6.082   7.041 -15.107
  374   1HB   TYR  46          2HB       TYR  46   4.354   8.794 -14.306
  375   2HB   TYR  46          3HB       TYR  46   5.287   9.972 -15.227
  376    HD1  TYR  46           HD1      TYR  46   2.765   7.473 -15.323
  377    HD2  TYR  46           HD2      TYR  46   5.813   9.306 -17.756
  378    HE1  TYR  46           HE1      TYR  46   1.891   6.271 -17.294
  379    HE2  TYR  46           HE2      TYR  46   4.977   8.058 -19.731
  380    HH   TYR  46           HH       TYR  46   3.876   6.115 -20.282
  381    H    THR  47           H        THR  47   7.760   6.599 -16.365
  382    HA   THR  47           HA       THR  47   9.324   8.823 -17.596
  383    HB   THR  47           HB       THR  47  10.888   8.217 -16.000
  384    HG1  THR  47           1HG      THR  47  11.304   6.554 -18.229
  385   1HG2  THR  47          1HG2      THR  47   9.973   6.219 -14.971
  386   2HG2  THR  47          2HG2      THR  47  10.253   5.266 -16.447
  387   3HG2  THR  47          3HG2      THR  47  11.621   5.896 -15.502
  388    H    ASP  48           H        ASP  48   7.842   8.511 -19.276
  389    HA   ASP  48           HA       ASP  48   6.936   7.762 -21.176
  390   1HB   ASP  48          2HB       ASP  48   9.350   7.412 -21.845
  391   2HB   ASP  48          3HB       ASP  48   9.127   5.698 -21.471
  392    H    GLU  49           H        GLU  49   7.992   5.047 -19.158
  393    HA   GLU  49           HA       GLU  49   5.275   3.837 -19.294
  394   1HB   GLU  49          2HB       GLU  49   6.308   1.805 -18.409
  395   2HB   GLU  49          3HB       GLU  49   7.005   2.280 -19.955
  396   1HG   GLU  49          2HG       GLU  49   9.014   3.148 -18.840
  397   2HG   GLU  49          3HG       GLU  49   8.299   2.852 -17.251
  398    H    LEU  50           H        LEU  50   4.460   2.968 -17.290
  399    HA   LEU  50           HA       LEU  50   4.591   4.965 -15.132
  400   1HB   LEU  50          2HB       LEU  50   2.526   4.141 -16.462
  401   2HB   LEU  50          3HB       LEU  50   2.635   2.658 -15.535
  402    HG   LEU  50           HG       LEU  50   2.236   5.454 -14.365
  403   1HD1  LEU  50          1HD1      LEU  50   0.343   4.710 -15.772
  404   2HD1  LEU  50          2HD1      LEU  50   0.238   3.203 -14.832
  405   3HD1  LEU  50          3HD1      LEU  50  -0.103   4.769 -14.060
  406   1HD2  LEU  50          1HD2      LEU  50   2.146   2.700 -13.074
  407   2HD2  LEU  50          2HD2      LEU  50   3.125   4.115 -12.598
  408   3HD2  LEU  50          3HD2      LEU  50   1.392   4.140 -12.353
  409    H    LYS  51           H        LYS  51   5.528   4.519 -13.148
  410    HA   LYS  51           HA       LYS  51   5.887   1.647 -12.399
  411   1HB   LYS  51          2HB       LYS  51   8.016   3.232 -12.975
  412   2HB   LYS  51          3HB       LYS  51   7.755   3.747 -11.324
  413   1HG   LYS  51          2HG       LYS  51   9.390   1.969 -11.361
  414   2HG   LYS  51          3HG       LYS  51   7.939   1.406 -10.533
  415   1HD   LYS  51          2HD       LYS  51   9.013  -0.279 -12.039
  416   2HD   LYS  51          3HD       LYS  51   7.301   0.000 -12.354
  417   1HE   LYS  51          2HE       LYS  51   7.905   1.545 -14.225
  418   2HE   LYS  51          3HE       LYS  51   9.619   1.215 -13.928
  419   1HZ   LYS  51          1HZ       LYS  51   7.580  -0.775 -14.730
  420   2HZ   LYS  51          2HZ       LYS  51   8.703  -0.117 -15.718
  421   3HZ   LYS  51          3HZ       LYS  51   9.189  -1.102 -14.487
  422    H    VAL  52           H        VAL  52   5.420   1.048 -10.356
  423    HA   VAL  52           HA       VAL  52   4.663   3.032  -8.308
  424    HB   VAL  52           HB       VAL  52   2.934   0.594  -8.952
  425   1HG1  VAL  52          1HG1      VAL  52   3.024   1.078  -6.534
  426   2HG1  VAL  52          2HG1      VAL  52   2.645   2.786  -6.842
  427   3HG1  VAL  52          3HG1      VAL  52   1.444   1.520  -7.180
  428   1HG2  VAL  52          1HG2      VAL  52   2.216   3.534  -9.234
  429   2HG2  VAL  52          2HG2      VAL  52   2.480   2.397 -10.576
  430   3HG2  VAL  52          3HG2      VAL  52   1.124   2.157  -9.472
  431    H    ASP  53           H        ASP  53   5.810   2.531  -6.552
  432    HA   ASP  53           HA       ASP  53   6.819  -0.259  -6.162
  433   1HB   ASP  53          2HB       ASP  53   8.405   2.309  -5.790
  434   2HB   ASP  53          3HB       ASP  53   8.983   0.662  -5.578
  435    H    ILE  54           H        ILE  54   6.367  -0.999  -4.173
  436    HA   ILE  54           HA       ILE  54   5.522   0.966  -2.072
  437    HB   ILE  54           HB       ILE  54   4.473  -1.834  -2.592
  438   1HG1  ILE  54          2HG1      ILE  54   3.202   0.867  -3.211
  439   2HG1  ILE  54          3HG1      ILE  54   3.682  -0.361  -4.384
  440   1HG2  ILE  54          1HG2      ILE  54   4.459  -0.994  -0.187
  441   2HG2  ILE  54          2HG2      ILE  54   3.351   0.274  -0.732
  442   3HG2  ILE  54          3HG2      ILE  54   2.914  -1.450  -0.896
  443   1HD1  ILE  54          1HD1      ILE  54   1.991  -1.930  -3.356
  444   2HD1  ILE  54          2HD1      ILE  54   1.417  -0.574  -2.357
  445   3HD1  ILE  54          3HD1      ILE  54   1.303  -0.489  -4.129
  446    H    SER  55           H        SER  55   6.762   0.999  -0.346
  447    HA   SER  55           HA       SER  55   8.237  -1.473   0.485
  448   1HB   SER  55          2HB       SER  55   9.710   0.338  -0.426
  449   2HB   SER  55          3HB       SER  55   9.070   1.437   0.812
  450    HG   SER  55           HG       SER  55  10.606  -0.923   1.166
  451    H    ALA  56           H        ALA  56   7.550  -2.224   2.403
  452    HA   ALA  56           HA       ALA  56   6.462  -0.346   4.420
  453   1HB   ALA  56          1HB       ALA  56   4.549  -1.416   3.267
  454   2HB   ALA  56          2HB       ALA  56   5.225  -3.018   3.666
  455   3HB   ALA  56          3HB       ALA  56   4.676  -1.934   4.961
  456    H    GLU  57           H        GLU  57   7.169  -0.670   6.396
  457    HA   GLU  57           HA       GLU  57   8.539  -3.204   7.166
  458   1HB   GLU  57          2HB       GLU  57   9.356  -0.324   7.362
  459   2HB   GLU  57          3HB       GLU  57   9.672  -1.316   8.779
  460   1HG   GLU  57          2HG       GLU  57  10.573  -2.151   6.000
  461   2HG   GLU  57          3HG       GLU  57  11.507  -1.080   7.058
  462    H    LEU  58           H        LEU  58   8.127  -3.960   9.120
  463    HA   LEU  58           HA       LEU  58   5.925  -2.752  10.723
  464   1HB   LEU  58          2HB       LEU  58   4.971  -4.307   9.187
  465   2HB   LEU  58          3HB       LEU  58   6.200  -5.512   9.511
  466    HG   LEU  58           HG       LEU  58   3.860  -5.935  10.335
  467   1HD1  LEU  58          1HD1      LEU  58   5.825  -7.223  11.132
  468   2HD1  LEU  58          2HD1      LEU  58   5.968  -6.110  12.502
  469   3HD1  LEU  58          3HD1      LEU  58   4.510  -7.104  12.310
  470   1HD2  LEU  58          1HD2      LEU  58   4.582  -3.991  12.558
  471   2HD2  LEU  58          2HD2      LEU  58   3.373  -3.720  11.282
  472   3HD2  LEU  58          3HD2      LEU  58   3.142  -5.025  12.452
  473    H    TYR  59           H        TYR  59   6.793  -2.288  12.670
  474    HA   TYR  59           HA       TYR  59   8.907  -4.125  13.712
  475   1HB   TYR  59          2HB       TYR  59   8.476  -1.163  14.190
  476   2HB   TYR  59          3HB       TYR  59   9.750  -2.154  14.884
  477    HD1  TYR  59           HD1      TYR  59   9.570   0.395  12.733
  478    HD2  TYR  59           HD2      TYR  59  10.644  -3.791  12.502
  479    HE1  TYR  59           HE1      TYR  59  11.101   0.875  10.859
  480    HE2  TYR  59           HE2      TYR  59  12.140  -3.302  10.632
  481    HH   TYR  59           HH       TYR  59  12.691  -1.774   9.041
  482    H    LEU  60           H        LEU  60   7.970  -5.517  14.921
  483    HA   LEU  60           HA       LEU  60   5.781  -4.901  16.783
  484   1HB   LEU  60          2HB       LEU  60   7.224  -7.398  15.839
  485   2HB   LEU  60          3HB       LEU  60   6.209  -7.441  17.266
  486    HG   LEU  60           HG       LEU  60   5.167  -6.456  14.595
  487   1HD1  LEU  60          1HD1      LEU  60   5.892  -8.801  14.351
  488   2HD1  LEU  60          2HD1      LEU  60   4.974  -9.251  15.805
  489   3HD1  LEU  60          3HD1      LEU  60   4.124  -8.688  14.348
  490   1HD2  LEU  60          1HD2      LEU  60   3.701  -7.487  17.059
  491   2HD2  LEU  60          2HD2      LEU  60   3.856  -5.791  16.597
  492   3HD2  LEU  60          3HD2      LEU  60   2.971  -6.892  15.550
  493    H    ASP  61           H        ASP  61   5.878  -5.259  19.024
  494    HA   ASP  61           HA       ASP  61   8.296  -4.473  20.350
  495   1HB   ASP  61          2HB       ASP  61   5.998  -4.184  21.277
  496   2HB   ASP  61          3HB       ASP  61   5.906  -5.933  21.527
  497    H    GLU  62           H        GLU  62   9.623  -5.594  21.740
  498    HA   GLU  62           HA       GLU  62  10.766  -8.083  20.705
  499   1HB   GLU  62          2HB       GLU  62  11.467  -6.177  22.970
  500   2HB   GLU  62          3HB       GLU  62  12.425  -7.612  22.615
  501   1HG   GLU  62          2HG       GLU  62  11.919  -5.532  20.461
  502   2HG   GLU  62          3HG       GLU  62  13.188  -5.344  21.664
  503    H    LEU  63           H        LEU  63   8.291  -8.613  21.475
  504    HA   LEU  63           HA       LEU  63   8.321 -10.572  23.646
  505   1HB   LEU  63          2HB       LEU  63   8.108  -8.434  24.833
  506   2HB   LEU  63          3HB       LEU  63   6.740  -7.956  23.848
  507    HG   LEU  63           HG       LEU  63   6.543 -10.510  25.466
  508   1HD1  LEU  63          1HD1      LEU  63   7.469  -8.872  27.044
  509   2HD1  LEU  63          2HD1      LEU  63   6.220  -7.694  26.583
  510   3HD1  LEU  63          3HD1      LEU  63   5.769  -9.200  27.421
  511   1HD2  LEU  63          1HD2      LEU  63   4.542  -8.287  24.805
  512   2HD2  LEU  63          2HD2      LEU  63   4.610  -9.870  24.013
  513   3HD2  LEU  63          3HD2      LEU  63   4.180  -9.771  25.718
  514    H    SER  64           H        SER  64   6.559  -8.735  21.131
  515    HA   SER  64           HA       SER  64   4.270 -10.416  20.855
  516   1HB   SER  64          2HB       SER  64   5.739  -8.616  18.907
  517   2HB   SER  64          3HB       SER  64   4.088  -9.230  18.678
  518    HG   SER  64           HG       SER  64   4.291  -7.012  19.631
  519    H    ASP  65           H        ASP  65   3.819 -11.739  18.814
  520    HA   ASP  65           HA       ASP  65   6.006 -13.061  17.504
  521   1HB   ASP  65          2HB       ASP  65   5.946 -14.273  19.687
  522   2HB   ASP  65          3HB       ASP  65   4.234 -14.631  19.435
  523    H    ALA  66           H        ALA  66   5.245 -13.079  15.586
  524    HA   ALA  66           HA       ALA  66   2.407 -13.575  14.889
  525   1HB   ALA  66          1HB       ALA  66   2.832 -11.126  15.098
  526   2HB   ALA  66          2HB       ALA  66   4.103 -11.262  13.857
  527   3HB   ALA  66          3HB       ALA  66   2.406 -11.601  13.450
  528    H    ASP  67           H        ASP  67   2.284 -13.549  12.266
  529    HA   ASP  67           HA       ASP  67   3.663 -15.920  11.662
  530   1HB   ASP  67          2HB       ASP  67   1.949 -14.164   9.854
  531   2HB   ASP  67          3HB       ASP  67   2.302 -15.873   9.613
  532    HA   PRO  68           HA       PRO  68   7.200 -14.487   9.386
  533   1HB   PRO  68          2HB       PRO  68   8.070 -16.784   8.212
  534   2HB   PRO  68          3HB       PRO  68   7.985 -16.585   9.983
  535   1HG   PRO  68          2HG       PRO  68   5.892 -17.855   8.181
  536   2HG   PRO  68          3HG       PRO  68   6.662 -18.562   9.642
  537   1HD   PRO  68          2HD       PRO  68   4.266 -17.292   9.779
  538   2HD   PRO  68          3HD       PRO  68   5.480 -17.117  11.081
  539    H    GLY  69           H        GLY  69   5.150 -13.474   8.236
  540   1HA   GLY  69          2HA       GLY  69   5.786 -12.915   5.511
  541   2HA   GLY  69          3HA       GLY  69   4.444 -14.065   5.544
  542    H    ILE  70           H        ILE  70   3.955 -12.297   8.343
  543    HA   ILE  70           HA       ILE  70   1.598 -11.284   7.472
  544    HB   ILE  70           HB       ILE  70   2.607 -11.862   9.782
  545   1HG1  ILE  70          2HG1      ILE  70   0.687  -9.554   9.624
  546   2HG1  ILE  70          3HG1      ILE  70   0.284 -11.241   9.236
  547   1HG2  ILE  70          1HG2      ILE  70   4.376 -10.081   9.794
  548   2HG2  ILE  70          2HG2      ILE  70   3.087  -8.856   9.943
  549   3HG2  ILE  70          3HG2      ILE  70   3.333 -10.059  11.216
  550   1HD1  ILE  70          1HD1      ILE  70   1.035 -11.915  11.530
  551   2HD1  ILE  70          2HD1      ILE  70   1.147 -10.184  11.946
  552   3HD1  ILE  70          3HD1      ILE  70  -0.414 -10.899  11.498
  553    H    VAL  71           H        VAL  71   4.639  -9.623   7.240
  554    HA   VAL  71           HA       VAL  71   3.511  -6.981   6.674
  555    HB   VAL  71           HB       VAL  71   6.277  -7.751   5.776
  556   1HG1  VAL  71          1HG1      VAL  71   5.466  -5.497   5.383
  557   2HG1  VAL  71          2HG1      VAL  71   5.112  -5.285   7.108
  558   3HG1  VAL  71          3HG1      VAL  71   6.792  -5.468   6.552
  559   1HG2  VAL  71          1HG2      VAL  71   5.529  -7.531   8.694
  560   2HG2  VAL  71          2HG2      VAL  71   6.379  -8.850   7.850
  561   3HG2  VAL  71          3HG2      VAL  71   7.185  -7.294   8.071
  562    H    ASP  72           H        ASP  72   5.144  -9.557   4.850
  563    HA   ASP  72           HA       ASP  72   4.978  -8.516   2.234
  564   1HB   ASP  72          2HB       ASP  72   6.353 -10.464   3.033
  565   2HB   ASP  72          3HB       ASP  72   4.885 -11.445   3.052
  566    H    GLU  73           H        GLU  73   2.595 -10.431   4.096
  567    HA   GLU  73           HA       GLU  73   0.596 -10.716   2.085
  568   1HB   GLU  73          2HB       GLU  73   0.316 -10.146   5.076
  569   2HB   GLU  73          3HB       GLU  73  -1.016 -10.571   3.998
  570   1HG   GLU  73          2HG       GLU  73  -0.274 -12.807   3.755
  571   2HG   GLU  73          3HG       GLU  73   1.211 -12.473   4.655
  572    H    ALA  74           H        ALA  74   1.433  -7.850   4.140
  573    HA   ALA  74           HA       ALA  74  -1.042  -6.437   3.478
  574   1HB   ALA  74          1HB       ALA  74   0.397  -6.079   5.579
  575   2HB   ALA  74          2HB       ALA  74   1.557  -5.238   4.522
  576   3HB   ALA  74          3HB       ALA  74  -0.089  -4.615   4.694
  577    H    VAL  75           H        VAL  75   2.339  -6.422   2.311
  578    HA   VAL  75           HA       VAL  75   1.898  -4.224   0.500
  579    HB   VAL  75           HB       VAL  75   4.090  -6.214  -0.040
  580   1HG1  VAL  75          1HG1      VAL  75   3.628  -3.993  -1.298
  581   2HG1  VAL  75          2HG1      VAL  75   4.114  -3.189   0.200
  582   3HG1  VAL  75          3HG1      VAL  75   5.279  -4.207  -0.664
  583   1HG2  VAL  75          1HG2      VAL  75   3.939  -4.418   2.411
  584   2HG2  VAL  75          2HG2      VAL  75   4.438  -6.125   2.293
  585   3HG2  VAL  75          3HG2      VAL  75   5.498  -4.876   1.669
  586    H    ASP  76           H        ASP  76   2.040  -7.800  -0.030
  587    HA   ASP  76           HA       ASP  76   1.220  -7.897  -2.728
  588   1HB   ASP  76          2HB       ASP  76   2.035  -9.852  -1.616
  589   2HB   ASP  76          3HB       ASP  76   0.831  -9.708  -0.327
  590    H    ALA  77           H        ALA  77  -0.864  -7.724   0.255
  591    HA   ALA  77           HA       ALA  77  -3.326  -7.841  -1.196
  592   1HB   ALA  77          1HB       ALA  77  -3.204  -8.233   1.210
  593   2HB   ALA  77          2HB       ALA  77  -2.680  -6.558   1.494
  594   3HB   ALA  77          3HB       ALA  77  -4.311  -6.889   0.870
  595    H    ALA  78           H        ALA  78  -1.281  -5.012  -0.215
  596    HA   ALA  78           HA       ALA  78  -3.006  -3.078  -1.449
  597   1HB   ALA  78          1HB       ALA  78  -1.276  -2.495   0.197
  598   2HB   ALA  78          2HB       ALA  78   0.013  -2.935  -0.950
  599   3HB   ALA  78          3HB       ALA  78  -1.066  -1.574  -1.302
  600    H    TYR  79           H        TYR  79  -0.163  -4.888  -2.855
  601    HA   TYR  79           HA       TYR  79  -0.340  -3.580  -5.395
  602   1HB   TYR  79          2HB       TYR  79   0.614  -6.359  -4.572
  603   2HB   TYR  79          3HB       TYR  79   0.737  -5.766  -6.214
  604    HD1  TYR  79           HD1      TYR  79   2.596  -6.171  -3.251
  605    HD2  TYR  79           HD2      TYR  79   1.879  -3.375  -6.479
  606    HE1  TYR  79           HE1      TYR  79   4.884  -5.229  -2.976
  607    HE2  TYR  79           HE2      TYR  79   4.144  -2.393  -6.139
  608    HH   TYR  79           HH       TYR  79   6.349  -3.522  -3.573
  609    H    ARG  80           H        ARG  80  -1.883  -6.693  -4.308
  610    HA   ARG  80           HA       ARG  80  -3.254  -6.975  -6.840
  611   1HB   ARG  80          2HB       ARG  80  -3.559  -8.453  -4.202
  612   2HB   ARG  80          3HB       ARG  80  -4.509  -8.809  -5.661
  613   1HG   ARG  80          2HG       ARG  80  -2.318  -8.989  -6.943
  614   2HG   ARG  80          3HG       ARG  80  -1.463  -8.940  -5.401
  615   1HD   ARG  80          2HD       ARG  80  -3.597 -10.980  -6.143
  616   2HD   ARG  80          3HD       ARG  80  -1.873 -11.210  -6.453
  617    HE   ARG  80           HE       ARG  80  -1.517 -10.897  -3.956
  618   1HH1  ARG  80          1HH2      ARG  80  -4.306 -12.575  -5.291
  619   2HH1  ARG  80          2HH2      ARG  80  -4.514 -13.569  -3.868
  620   1HH2  ARG  80          1HH1      ARG  80  -1.897 -12.084  -2.140
  621   2HH2  ARG  80          2HH1      ARG  80  -3.149 -13.316  -2.108
  622    H    SER  81           H        SER  81  -4.289  -5.466  -3.761
  623    HA   SER  81           HA       SER  81  -6.972  -4.972  -4.716
  624   1HB   SER  81          2HB       SER  81  -6.306  -4.769  -2.317
  625   2HB   SER  81          3HB       SER  81  -5.376  -3.309  -2.733
  626    HG   SER  81           HG       SER  81  -7.529  -2.684  -3.771
  627    H    LEU  82           H        LEU  82  -3.854  -3.202  -5.154
  628    HA   LEU  82           HA       LEU  82  -5.037  -0.976  -6.515
  629   1HB   LEU  82          2HB       LEU  82  -2.768  -1.113  -5.511
  630   2HB   LEU  82          3HB       LEU  82  -2.236  -2.156  -6.798
  631    HG   LEU  82           HG       LEU  82  -1.531   0.236  -6.938
  632   1HD1  LEU  82          1HD1      LEU  82  -1.561  -1.253  -8.944
  633   2HD1  LEU  82          2HD1      LEU  82  -3.139  -0.565  -9.385
  634   3HD1  LEU  82          3HD1      LEU  82  -1.714   0.477  -9.298
  635   1HD2  LEU  82          1HD2      LEU  82  -4.390   0.828  -7.776
  636   2HD2  LEU  82          2HD2      LEU  82  -3.681   1.272  -6.203
  637   3HD2  LEU  82          3HD2      LEU  82  -3.030   1.963  -7.701
  638    H    GLU  83           H        GLU  83  -3.599  -4.074  -7.753
  639    HA   GLU  83           HA       GLU  83  -4.072  -3.582 -10.494
  640   1HB   GLU  83          2HB       GLU  83  -4.049  -6.156  -8.878
  641   2HB   GLU  83          3HB       GLU  83  -4.224  -6.141 -10.633
  642   1HG   GLU  83          2HG       GLU  83  -2.078  -5.108 -10.954
  643   2HG   GLU  83          3HG       GLU  83  -1.865  -4.822  -9.233
  644    H    SER  84           H        SER  84  -6.401  -5.054  -8.107
  645    HA   SER  84           HA       SER  84  -8.429  -5.131 -10.200
  646   1HB   SER  84          2HB       SER  84  -8.451  -6.761  -8.391
  647   2HB   SER  84          3HB       SER  84  -8.816  -5.477  -7.220
  648    HG   SER  84           HG       SER  84 -10.457  -5.817  -9.590
  649    H    PHE  85           H        PHE  85  -7.683  -2.704  -7.601
  650    HA   PHE  85           HA       PHE  85  -9.962  -1.066  -8.146
  651   1HB   PHE  85          2HB       PHE  85  -8.508  -0.638  -6.260
  652   2HB   PHE  85          3HB       PHE  85  -7.125  -0.375  -7.318
  653    HD1  PHE  85           HD1      PHE  85  -6.528   1.826  -7.818
  654    HD2  PHE  85           HD2      PHE  85 -10.630   0.936  -6.869
  655    HE1  PHE  85           HE1      PHE  85  -7.047   4.249  -7.837
  656    HE2  PHE  85           HE2      PHE  85 -11.147   3.373  -6.827
  657    HZ   PHE  85           HZ       PHE  85  -9.348   5.031  -7.282
  658    H    LEU  86           H        LEU  86  -6.801  -1.299  -9.846
  659    HA   LEU  86           HA       LEU  86  -7.594   0.600 -11.873
  660   1HB   LEU  86          2HB       LEU  86  -5.177  -0.838 -11.204
  661   2HB   LEU  86          3HB       LEU  86  -5.597  -1.209 -12.872
  662    HG   LEU  86           HG       LEU  86  -5.841   1.258 -13.307
  663   1HD1  LEU  86          1HD1      LEU  86  -6.200   2.044 -10.960
  664   2HD1  LEU  86          2HD1      LEU  86  -4.533   1.591 -10.578
  665   3HD1  LEU  86          3HD1      LEU  86  -4.864   2.881 -11.760
  666   1HD2  LEU  86          1HD2      LEU  86  -3.129   0.344 -12.282
  667   2HD2  LEU  86          2HD2      LEU  86  -3.793   0.038 -13.900
  668   3HD2  LEU  86          3HD2      LEU  86  -3.416   1.699 -13.395
  669    H    ASP  87           H        ASP  87  -8.346  -2.873 -11.550
  670    HA   ASP  87           HA       ASP  87  -9.080  -3.172 -14.285
  671   1HB   ASP  87          2HB       ASP  87 -10.167  -5.090 -13.820
  672   2HB   ASP  87          3HB       ASP  87  -8.917  -5.036 -12.599
  673    H    GLY  88           H        GLY  88 -10.634  -1.397 -11.663
  674   1HA   GLY  88          2HA       GLY  88 -13.088  -0.766 -13.012
  675   2HA   GLY  88          3HA       GLY  88 -12.326   0.141 -11.699
  676    H    PHE  89           H        PHE  89  -9.953   0.119 -13.971
  677    HA   PHE  89           HA       PHE  89 -11.006   2.455 -15.515
  678   1HB   PHE  89          2HB       PHE  89  -8.363   2.274 -14.026
  679   2HB   PHE  89          3HB       PHE  89  -8.791   3.561 -15.140
  680    HD1  PHE  89           HD1      PHE  89 -11.478   4.399 -14.440
  681    HD2  PHE  89           HD2      PHE  89  -8.287   3.103 -11.835
  682    HE1  PHE  89           HE1      PHE  89 -12.372   5.833 -12.627
  683    HE2  PHE  89           HE2      PHE  89  -9.211   4.508 -10.026
  684    HZ   PHE  89           HZ       PHE  89 -11.241   5.887 -10.416
  685    H    ARG  90           H        ARG  90  -8.660  -0.222 -15.443
  686    HA   ARG  90           HA       ARG  90  -7.943   0.295 -18.314
  687   1HB   ARG  90          2HB       ARG  90  -6.403  -0.850 -15.958
  688   2HB   ARG  90          3HB       ARG  90  -5.925  -1.188 -17.608
  689   1HG   ARG  90          2HG       ARG  90  -4.601   0.595 -16.625
  690   2HG   ARG  90          3HG       ARG  90  -5.451   1.114 -18.080
  691   1HD   ARG  90          2HD       ARG  90  -7.018   2.422 -16.809
  692   2HD   ARG  90          3HD       ARG  90  -6.507   1.675 -15.298
  693    HE   ARG  90           HE       ARG  90  -4.667   3.068 -15.186
  694   1HH1  ARG  90          1HH2      ARG  90  -6.054   3.454 -18.376
  695   2HH1  ARG  90          2HH2      ARG  90  -5.179   4.922 -18.714
  696   1HH2  ARG  90          1HH1      ARG  90  -3.488   4.912 -15.681
  697   2HH2  ARG  90          2HH1      ARG  90  -3.702   5.692 -17.217
  698    H    GLU  91           H        GLU  91  -9.501  -1.970 -16.244
  699    HA   GLU  91           HA       GLU  91 -10.135  -4.114 -16.396
  700   1HB   GLU  91          2HB       GLU  91 -11.441  -2.934 -18.242
  701   2HB   GLU  91          3HB       GLU  91 -10.369  -3.730 -19.394
  702   1HG   GLU  91          2HG       GLU  91 -11.096  -5.951 -18.474
  703   2HG   GLU  91          3HG       GLU  91 -12.130  -5.119 -17.315
  Start of MODEL    2
    1    H    MET   1           H1       MET   1 -13.053   4.008 -10.303
    2    HA   MET   1           HA       MET   1 -14.755   3.903 -11.946
    3   1HB   MET   1          2HB       MET   1 -17.011   4.551 -11.528
    4   2HB   MET   1          3HB       MET   1 -16.587   3.335 -10.326
    5   1HG   MET   1          2HG       MET   1 -16.224   5.181  -8.650
    6   2HG   MET   1          3HG       MET   1 -16.691   6.351  -9.886
    7   1HE   MET   1          1HE       MET   1 -18.214   2.839  -8.642
    8   2HE   MET   1          2HE       MET   1 -17.860   3.832  -7.205
    9   3HE   MET   1          3HE       MET   1 -19.542   3.487  -7.657
   10    H    SER   2           H        SER   2 -15.635   5.909 -13.075
   11    HA   SER   2           HA       SER   2 -15.191   7.984 -13.917
   12   1HB   SER   2          2HB       SER   2 -15.870   8.660 -11.038
   13   2HB   SER   2          3HB       SER   2 -16.087   9.722 -12.443
   14    HG   SER   2           HG       SER   2 -17.676   8.404 -13.203
   15    H    LEU   3           H        LEU   3 -12.717   6.875 -13.334
   16    HA   LEU   3           HA       LEU   3 -10.997   8.404 -11.706
   17   1HB   LEU   3          2HB       LEU   3 -10.492   6.573 -14.087
   18   2HB   LEU   3          3HB       LEU   3  -9.217   7.185 -13.047
   19    HG   LEU   3           HG       LEU   3 -11.547   5.563 -11.943
   20   1HD1  LEU   3          1HD1      LEU   3 -10.300   4.254 -13.629
   21   2HD1  LEU   3          2HD1      LEU   3  -8.807   4.537 -12.730
   22   3HD1  LEU   3          3HD1      LEU   3 -10.111   3.605 -11.984
   23   1HD2  LEU   3          1HD2      LEU   3  -8.778   6.230 -10.846
   24   2HD2  LEU   3          2HD2      LEU   3 -10.326   6.858 -10.236
   25   3HD2  LEU   3          3HD2      LEU   3  -9.943   5.139 -10.077
   26    H    ARG   4           H        ARG   4  -8.992   9.510 -12.495
   27    HA   ARG   4           HA       ARG   4  -9.806  11.696 -14.366
   28   1HB   ARG   4          2HB       ARG   4  -8.849  11.629 -11.532
   29   2HB   ARG   4          3HB       ARG   4  -8.042  12.813 -12.531
   30   1HG   ARG   4          2HG       ARG   4  -9.904  13.831 -11.424
   31   2HG   ARG   4          3HG       ARG   4 -10.165  13.835 -13.169
   32   1HD   ARG   4          2HD       ARG   4 -11.746  11.949 -12.957
   33   2HD   ARG   4          3HD       ARG   4 -11.448  11.881 -11.206
   34    HE   ARG   4           HE       ARG   4 -12.175  14.503 -11.684
   35   1HH1  ARG   4          1HH2      ARG   4 -13.848  11.404 -12.146
   36   2HH1  ARG   4          2HH2      ARG   4 -15.412  12.178 -12.085
   37   1HH2  ARG   4          1HH1      ARG   4 -14.218  15.378 -11.610
   38   2HH2  ARG   4          2HH1      ARG   4 -15.612  14.355 -11.775
   39    H    LYS   5           H        LYS   5  -7.927  13.136 -14.890
   40    HA   LYS   5           HA       LYS   5  -5.814  11.706 -16.350
   41   1HB   LYS   5          2HB       LYS   5  -6.464  14.647 -15.818
   42   2HB   LYS   5          3HB       LYS   5  -4.936  14.145 -16.523
   43   1HG   LYS   5          2HG       LYS   5  -6.392  14.846 -18.272
   44   2HG   LYS   5          3HG       LYS   5  -6.074  13.117 -18.434
   45   1HD   LYS   5          2HD       LYS   5  -8.299  12.576 -17.582
   46   2HD   LYS   5          3HD       LYS   5  -8.610  14.292 -17.207
   47   1HE   LYS   5          2HE       LYS   5  -8.406  14.859 -19.600
   48   2HE   LYS   5          3HE       LYS   5  -8.030  13.174 -19.987
   49   1HZ   LYS   5          1HZ       LYS   5 -10.229  12.561 -19.188
   50   2HZ   LYS   5          2HZ       LYS   5 -10.581  14.125 -18.821
   51   3HZ   LYS   5          3HZ       LYS   5 -10.358  13.678 -20.387
   52    H    LEU   6           H        LEU   6  -4.177  10.826 -15.217
   53    HA   LEU   6           HA       LEU   6  -3.897  11.338 -12.435
   54   1HB   LEU   6          2HB       LEU   6  -2.199   9.765 -14.419
   55   2HB   LEU   6          3HB       LEU   6  -1.928   9.755 -12.686
   56    HG   LEU   6           HG       LEU   6  -4.470   8.767 -14.048
   57   1HD1  LEU   6          1HD1      LEU   6  -2.485   7.336 -14.442
   58   2HD1  LEU   6          2HD1      LEU   6  -2.199   7.253 -12.688
   59   3HD1  LEU   6          3HD1      LEU   6  -3.668   6.543 -13.394
   60   1HD2  LEU   6          1HD2      LEU   6  -3.596   8.813 -11.127
   61   2HD2  LEU   6          2HD2      LEU   6  -5.061   9.544 -11.844
   62   3HD2  LEU   6          3HD2      LEU   6  -4.902   7.792 -11.735
   63    H    THR   7           H        THR   7  -3.056  13.074 -11.558
   64    HA   THR   7           HA       THR   7  -0.308  13.910 -12.345
   65    HB   THR   7           HB       THR   7  -1.969  15.446 -13.361
   66    HG1  THR   7           1HG      THR   7  -0.189  16.488 -13.038
   67   1HG2  THR   7          1HG2      THR   7  -3.785  15.435 -11.730
   68   2HG2  THR   7          2HG2      THR   7  -2.728  16.162 -10.499
   69   3HG2  THR   7          3HG2      THR   7  -3.160  17.075 -11.957
   70    H    GLU   8           H        GLU   8   0.021  15.845 -10.405
   71    HA   GLU   8           HA       GLU   8   1.083  14.396  -8.281
   72   1HB   GLU   8          2HB       GLU   8   0.059  17.262  -8.278
   73   2HB   GLU   8          3HB       GLU   8   1.160  16.576  -7.076
   74   1HG   GLU   8          2HG       GLU   8   2.872  16.187  -8.781
   75   2HG   GLU   8          3HG       GLU   8   1.788  16.739 -10.060
   76    H    GLY   9           H        GLY   9  -2.168  15.898  -8.352
   77   1HA   GLY   9          2HA       GLY   9  -2.918  15.300  -5.664
   78   2HA   GLY   9          3HA       GLY   9  -4.022  15.593  -7.023
   79    H    ASP  10           H        ASP  10  -3.629  13.446  -8.723
   80    HA   ASP  10           HA       ASP  10  -4.994  11.307  -7.402
   81   1HB   ASP  10          2HB       ASP  10  -3.434  10.998  -9.981
   82   2HB   ASP  10          3HB       ASP  10  -4.929  10.207  -9.481
   83    H    LEU  11           H        LEU  11  -1.582  11.777  -8.401
   84    HA   LEU  11           HA       LEU  11  -0.647   9.195  -7.562
   85   1HB   LEU  11          2HB       LEU  11   0.648  11.830  -8.216
   86   2HB   LEU  11          3HB       LEU  11   1.606  10.550  -7.514
   87    HG   LEU  11           HG       LEU  11   1.275   9.098  -9.332
   88   1HD1  LEU  11          1HD1      LEU  11  -1.067   9.370  -9.958
   89   2HD1  LEU  11          2HD1      LEU  11  -0.690  10.949 -10.689
   90   3HD1  LEU  11          3HD1      LEU  11   0.013   9.464 -11.352
   91   1HD2  LEU  11          1HD2      LEU  11   1.691  11.868 -10.497
   92   2HD2  LEU  11          2HD2      LEU  11   2.927  10.888  -9.673
   93   3HD2  LEU  11          3HD2      LEU  11   2.237  10.332 -11.208
   94    H    ASP  12           H        ASP  12  -0.798  12.315  -5.710
   95    HA   ASP  12           HA       ASP  12   0.213  11.145  -3.280
   96   1HB   ASP  12          2HB       ASP  12  -1.604  13.522  -3.843
   97   2HB   ASP  12          3HB       ASP  12  -1.137  13.047  -2.214
   98    H    GLU  13           H        GLU  13  -3.196  11.523  -4.484
   99    HA   GLU  13           HA       GLU  13  -4.420  10.368  -2.190
  100   1HB   GLU  13          2HB       GLU  13  -5.600  11.678  -3.876
  101   2HB   GLU  13          3HB       GLU  13  -5.342  10.439  -5.099
  102   1HG   GLU  13          2HG       GLU  13  -6.715   9.509  -2.602
  103   2HG   GLU  13          3HG       GLU  13  -7.581  10.723  -3.522
  104    H    ILE  14           H        ILE  14  -3.381   8.763  -5.244
  105    HA   ILE  14           HA       ILE  14  -4.125   6.132  -4.422
  106    HB   ILE  14           HB       ILE  14  -2.167   7.178  -6.489
  107   1HG1  ILE  14          2HG1      ILE  14  -4.844   5.734  -6.824
  108   2HG1  ILE  14          3HG1      ILE  14  -4.726   7.482  -6.717
  109   1HG2  ILE  14          1HG2      ILE  14  -1.324   4.979  -5.845
  110   2HG2  ILE  14          2HG2      ILE  14  -2.955   4.280  -5.954
  111   3HG2  ILE  14          3HG2      ILE  14  -2.107   4.845  -7.411
  112   1HD1  ILE  14          1HD1      ILE  14  -3.224   7.500  -8.725
  113   2HD1  ILE  14          2HD1      ILE  14  -3.522   5.753  -8.910
  114   3HD1  ILE  14          3HD1      ILE  14  -4.864   6.899  -9.034
  115    H    SER  15           H        SER  15  -1.013   7.937  -4.074
  116    HA   SER  15           HA       SER  15   0.428   5.766  -2.907
  117   1HB   SER  15          2HB       SER  15   0.832   8.742  -2.418
  118   2HB   SER  15          3HB       SER  15   1.997   7.441  -2.081
  119    HG   SER  15           HG       SER  15   1.019   8.405  -4.556
  120    H    SER  16           H        SER  16  -1.632   8.291  -1.414
  121    HA   SER  16           HA       SER  16  -1.293   7.310   1.287
  122   1HB   SER  16          2HB       SER  16  -2.155   9.591   0.752
  123   2HB   SER  16          3HB       SER  16  -3.657   8.850   0.157
  124    HG   SER  16           HG       SER  16  -3.473   7.726   2.401
  125    H    PHE  17           H        PHE  17  -3.778   6.594  -1.262
  126    HA   PHE  17           HA       PHE  17  -5.409   4.878   0.294
  127   1HB   PHE  17          2HB       PHE  17  -6.107   5.716  -1.862
  128   2HB   PHE  17          3HB       PHE  17  -4.738   4.969  -2.663
  129    HD1  PHE  17           HD1      PHE  17  -7.847   4.127  -0.752
  130    HD2  PHE  17           HD2      PHE  17  -4.894   2.807  -3.609
  131    HE1  PHE  17           HE1      PHE  17  -9.199   2.095  -1.217
  132    HE2  PHE  17           HE2      PHE  17  -6.252   0.781  -4.070
  133    HZ   PHE  17           HZ       PHE  17  -8.404   0.425  -2.881
  134    H    LEU  18           H        LEU  18  -2.463   4.119  -1.611
  135    HA   LEU  18           HA       LEU  18  -2.427   1.316  -0.961
  136   1HB   LEU  18          2HB       LEU  18  -0.286   3.301  -1.810
  137   2HB   LEU  18          3HB       LEU  18   0.027   1.571  -1.648
  138    HG   LEU  18           HG       LEU  18  -2.112   2.722  -3.501
  139   1HD1  LEU  18          1HD1      LEU  18   0.059   3.498  -4.258
  140   2HD1  LEU  18          2HD1      LEU  18   0.742   1.865  -4.117
  141   3HD1  LEU  18          3HD1      LEU  18  -0.511   2.215  -5.330
  142   1HD2  LEU  18          1HD2      LEU  18  -0.878  -0.050  -3.363
  143   2HD2  LEU  18          2HD2      LEU  18  -2.529   0.382  -2.862
  144   3HD2  LEU  18          3HD2      LEU  18  -2.063   0.555  -4.537
  145    H    HIS  19           H        HIS  19  -0.644   4.085   0.585
  146    HA   HIS  19           HA       HIS  19   0.531   2.539   2.653
  147   1HB   HIS  19          2HB       HIS  19   1.214   4.816   2.252
  148   2HB   HIS  19          3HB       HIS  19  -0.411   5.424   2.561
  149    HD1  HIS  19           HD1      HIS  19   0.210   6.952   4.605
  150    HD2  HIS  19           HD2      HIS  19   1.280   2.916   5.020
  151    HE1  HIS  19           HE1      HIS  19   0.919   6.625   7.041
  152    H    ASN  20           H        ASN  20  -2.650   4.246   2.682
  153    HA   ASN  20           HA       ASN  20  -3.459   3.339   5.248
  154   1HB   ASN  20          2HB       ASN  20  -5.101   4.156   2.818
  155   2HB   ASN  20          3HB       ASN  20  -5.755   3.918   4.440
  156   1HD2  ASN  20          2HD2      ASN  20  -6.099   6.369   3.169
  157   2HD2  ASN  20          1HD2      ASN  20  -5.128   7.546   4.055
  158    H    THR  21           H        THR  21  -3.855   1.763   2.023
  159    HA   THR  21           HA       THR  21  -5.502  -0.383   2.917
  160    HB   THR  21           HB       THR  21  -3.413  -0.399   0.696
  161    HG1  THR  21           1HG      THR  21  -4.992   1.160   0.350
  162   1HG2  THR  21          1HG2      THR  21  -4.048  -2.701   1.182
  163   2HG2  THR  21          2HG2      THR  21  -5.769  -2.250   1.250
  164   3HG2  THR  21          3HG2      THR  21  -4.884  -2.176  -0.287
  165    H    ILE  22           H        ILE  22  -1.889  -0.181   2.780
  166    HA   ILE  22           HA       ILE  22  -1.495  -2.784   3.990
  167    HB   ILE  22           HB       ILE  22   0.342  -0.364   3.968
  168   1HG1  ILE  22          2HG1      ILE  22   0.069  -2.716   2.062
  169   2HG1  ILE  22          3HG1      ILE  22  -0.218  -1.012   1.709
  170   1HG2  ILE  22          1HG2      ILE  22   0.933  -2.222   5.661
  171   2HG2  ILE  22          2HG2      ILE  22   1.174  -3.284   4.250
  172   3HG2  ILE  22          3HG2      ILE  22   2.174  -1.864   4.469
  173   1HD1  ILE  22          1HD1      ILE  22   2.275  -0.651   2.332
  174   2HD1  ILE  22          2HD1      ILE  22   2.397  -2.422   2.123
  175   3HD1  ILE  22          3HD1      ILE  22   1.817  -1.402   0.773
  176    H    SER  23           H        SER  23  -1.648   0.539   5.370
  177    HA   SER  23           HA       SER  23  -1.161  -0.128   8.061
  178   1HB   SER  23          2HB       SER  23  -1.314   2.186   7.039
  179   2HB   SER  23          3HB       SER  23  -3.081   2.027   7.111
  180    HG   SER  23           HG       SER  23  -1.198   2.158   9.205
  181    H    ASP  24           H        ASP  24  -4.449   0.127   6.478
  182    HA   ASP  24           HA       ASP  24  -5.907  -1.019   8.618
  183   1HB   ASP  24          2HB       ASP  24  -6.316  -0.917   5.626
  184   2HB   ASP  24          3HB       ASP  24  -7.391  -1.865   6.614
  185    H    PHE  25           H        PHE  25  -4.148  -2.753   5.954
  186    HA   PHE  25           HA       PHE  25  -5.215  -5.301   6.747
  187   1HB   PHE  25          2HB       PHE  25  -4.063  -4.617   4.549
  188   2HB   PHE  25          3HB       PHE  25  -2.541  -4.865   5.389
  189    HD1  PHE  25           HD1      PHE  25  -5.401  -6.412   3.743
  190    HD2  PHE  25           HD2      PHE  25  -2.015  -7.202   6.287
  191    HE1  PHE  25           HE1      PHE  25  -5.613  -8.842   3.276
  192    HE2  PHE  25           HE2      PHE  25  -2.231  -9.621   5.821
  193    HZ   PHE  25           HZ       PHE  25  -4.026 -10.451   4.314
  194    H    ILE  26           H        ILE  26  -2.138  -3.628   7.673
  195    HA   ILE  26           HA       ILE  26  -1.233  -5.636   9.468
  196    HB   ILE  26           HB       ILE  26  -0.738  -2.659   9.135
  197   1HG1  ILE  26          2HG1      ILE  26   0.967  -5.154   8.621
  198   2HG1  ILE  26          3HG1      ILE  26   0.099  -4.248   7.388
  199   1HG2  ILE  26          1HG2      ILE  26  -0.433  -3.132  11.499
  200   2HG2  ILE  26          2HG2      ILE  26   0.574  -4.553  11.114
  201   3HG2  ILE  26          3HG2      ILE  26   1.127  -2.901  10.738
  202   1HD1  ILE  26          1HD1      ILE  26   1.497  -2.214   8.020
  203   2HD1  ILE  26          2HD1      ILE  26   2.512  -3.327   8.971
  204   3HD1  ILE  26          3HD1      ILE  26   2.348  -3.558   7.228
  205    H    LEU  27           H        LEU  27  -3.240  -2.659  10.117
  206    HA   LEU  27           HA       LEU  27  -3.635  -3.257  12.876
  207   1HB   LEU  27          2HB       LEU  27  -4.906  -1.464  10.830
  208   2HB   LEU  27          3HB       LEU  27  -5.892  -1.844  12.209
  209    HG   LEU  27           HG       LEU  27  -4.666   0.263  12.456
  210   1HD1  LEU  27          1HD1      LEU  27  -5.424  -1.094  14.417
  211   2HD1  LEU  27          2HD1      LEU  27  -3.788  -1.777  14.535
  212   3HD1  LEU  27          3HD1      LEU  27  -4.052  -0.031  14.751
  213   1HD2  LEU  27          1HD2      LEU  27  -2.133  -1.418  12.685
  214   2HD2  LEU  27          2HD2      LEU  27  -2.531  -0.305  11.357
  215   3HD2  LEU  27          3HD2      LEU  27  -2.285   0.323  12.991
  216    H    LYS  28           H        LYS  28  -5.209  -4.709  10.108
  217    HA   LYS  28           HA       LYS  28  -7.062  -6.170  11.941
  218   1HB   LYS  28          2HB       LYS  28  -7.069  -5.651   8.955
  219   2HB   LYS  28          3HB       LYS  28  -8.051  -6.935   9.665
  220   1HG   LYS  28          2HG       LYS  28  -9.269  -5.477  11.055
  221   2HG   LYS  28          3HG       LYS  28  -8.165  -4.130  10.830
  222   1HD   LYS  28          2HD       LYS  28  -9.791  -5.212   8.498
  223   2HD   LYS  28          3HD       LYS  28 -10.452  -4.058   9.673
  224   1HE   LYS  28          2HE       LYS  28  -8.343  -2.640   9.243
  225   2HE   LYS  28          3HE       LYS  28  -8.073  -3.645   7.827
  226   1HZ   LYS  28          1HZ       LYS  28 -10.120  -2.859   6.899
  227   2HZ   LYS  28          2HZ       LYS  28 -10.587  -2.146   8.319
  228   3HZ   LYS  28          3HZ       LYS  28  -9.352  -1.513   7.476
  229    H    ARG  29           H        ARG  29  -3.979  -6.576  11.101
  230    HA   ARG  29           HA       ARG  29  -4.211  -9.557  11.372
  231   1HB   ARG  29          2HB       ARG  29  -2.087  -7.769  10.144
  232   2HB   ARG  29          3HB       ARG  29  -1.811  -9.469  10.486
  233   1HG   ARG  29          2HG       ARG  29  -4.253  -8.838   8.845
  234   2HG   ARG  29          3HG       ARG  29  -2.687  -8.485   8.132
  235   1HD   ARG  29          2HD       ARG  29  -3.477 -10.694   7.465
  236   2HD   ARG  29          3HD       ARG  29  -1.947 -10.744   8.337
  237    HE   ARG  29           HE       ARG  29  -4.233 -11.148  10.075
  238   1HH1  ARG  29          1HH2      ARG  29  -2.156 -12.887   7.750
  239   2HH1  ARG  29          2HH2      ARG  29  -2.462 -14.416   8.509
  240   1HH2  ARG  29          1HH1      ARG  29  -4.471 -13.150  11.052
  241   2HH2  ARG  29          2HH1      ARG  29  -3.687 -14.546  10.369
  242    H    VAL  30           H        VAL  30  -2.496  -6.695  12.725
  243    HA   VAL  30           HA       VAL  30  -2.098  -8.209  15.236
  244    HB   VAL  30           HB       VAL  30   0.238  -6.687  14.017
  245   1HG1  VAL  30          1HG1      VAL  30   0.409  -6.906  16.406
  246   2HG1  VAL  30          2HG1      VAL  30  -0.093  -8.613  16.358
  247   3HG1  VAL  30          3HG1      VAL  30   1.480  -8.131  15.732
  248   1HG2  VAL  30          1HG2      VAL  30  -0.157  -9.699  13.935
  249   2HG2  VAL  30          2HG2      VAL  30  -0.062  -8.602  12.531
  250   3HG2  VAL  30          3HG2      VAL  30   1.350  -8.837  13.553
  251    H    SER  31           H        SER  31  -1.851  -6.800  17.111
  252    HA   SER  31           HA       SER  31  -3.346  -4.339  16.783
  253   1HB   SER  31          2HB       SER  31  -3.693  -5.810  18.709
  254   2HB   SER  31          3HB       SER  31  -2.029  -5.504  19.239
  255    HG   SER  31           HG       SER  31  -3.710  -4.182  20.206
  256    H    ALA  32           H        ALA  32  -2.740  -2.318  16.872
  257    HA   ALA  32           HA       ALA  32  -0.146  -1.262  16.578
  258   1HB   ALA  32          1HB       ALA  32  -2.145  -0.007  16.031
  259   2HB   ALA  32          2HB       ALA  32  -2.667  -0.010  17.737
  260   3HB   ALA  32          3HB       ALA  32  -1.205   0.874  17.243
  261    H    LYS  33           H        LYS  33  -1.702  -2.470  19.503
  262    HA   LYS  33           HA       LYS  33   0.339  -1.211  21.265
  263   1HB   LYS  33          2HB       LYS  33  -2.058  -2.991  21.877
  264   2HB   LYS  33          3HB       LYS  33  -0.938  -2.349  23.088
  265   1HG   LYS  33          2HG       LYS  33  -1.477  -0.027  22.364
  266   2HG   LYS  33          3HG       LYS  33  -2.674  -0.668  21.223
  267   1HD   LYS  33          2HD       LYS  33  -3.943  -1.669  23.086
  268   2HD   LYS  33          3HD       LYS  33  -2.732  -1.066  24.245
  269   1HE   LYS  33          2HE       LYS  33  -3.198   1.261  23.517
  270   2HE   LYS  33          3HE       LYS  33  -4.403   0.667  22.366
  271   1HZ   LYS  33          1HZ       LYS  33  -5.668  -0.204  24.236
  272   2HZ   LYS  33          2HZ       LYS  33  -4.544   0.339  25.306
  273   3HZ   LYS  33          3HZ       LYS  33  -5.427   1.412  24.426
  274    H    GLU  34           H        GLU  34   0.336  -3.915  19.315
  275    HA   GLU  34           HA       GLU  34   2.363  -5.370  21.000
  276   1HB   GLU  34          2HB       GLU  34   0.863  -6.217  18.494
  277   2HB   GLU  34          3HB       GLU  34   1.982  -7.225  19.401
  278   1HG   GLU  34          2HG       GLU  34   0.477  -7.343  21.288
  279   2HG   GLU  34          3HG       GLU  34  -0.591  -6.121  20.612
  280    H    ILE  35           H        ILE  35   1.699  -3.681  18.014
  281    HA   ILE  35           HA       ILE  35   4.329  -3.851  16.790
  282    HB   ILE  35           HB       ILE  35   1.819  -2.205  16.366
  283   1HG1  ILE  35          2HG1      ILE  35   3.126  -4.416  14.720
  284   2HG1  ILE  35          3HG1      ILE  35   1.778  -4.667  15.820
  285   1HG2  ILE  35          1HG2      ILE  35   3.694  -0.803  15.639
  286   2HG2  ILE  35          2HG2      ILE  35   4.335  -2.142  14.650
  287   3HG2  ILE  35          3HG2      ILE  35   2.779  -1.362  14.266
  288   1HD1  ILE  35          1HD1      ILE  35   0.386  -3.093  14.473
  289   2HD1  ILE  35          2HD1      ILE  35   1.710  -3.023  13.278
  290   3HD1  ILE  35          3HD1      ILE  35   0.901  -4.555  13.609
  291    H    VAL  36           H        VAL  36   6.051  -2.606  17.177
  292    HA   VAL  36           HA       VAL  36   6.005  -0.394  19.144
  293    HB   VAL  36           HB       VAL  36   8.155  -1.694  17.423
  294   1HG1  VAL  36          1HG1      VAL  36   8.744   0.654  17.406
  295   2HG1  VAL  36          2HG1      VAL  36   8.449   0.789  19.157
  296   3HG1  VAL  36          3HG1      VAL  36   9.800  -0.193  18.540
  297   1HG2  VAL  36          1HG2      VAL  36   7.895  -1.353  20.443
  298   2HG2  VAL  36          2HG2      VAL  36   7.412  -2.801  19.547
  299   3HG2  VAL  36          3HG2      VAL  36   9.114  -2.313  19.570
  300    H    ASP  37           H        ASP  37   6.612  -0.829  15.601
  301    HA   ASP  37           HA       ASP  37   4.997   1.432  14.968
  302   1HB   ASP  37          2HB       ASP  37   7.416   2.370  15.760
  303   2HB   ASP  37          3HB       ASP  37   7.819   2.016  14.093
  304    H    ILE  38           H        ILE  38   5.395   2.071  12.527
  305    HA   ILE  38           HA       ILE  38   6.244  -0.250  10.864
  306    HB   ILE  38           HB       ILE  38   4.254   0.172   9.356
  307   1HG1  ILE  38          2HG1      ILE  38   3.020   1.459  11.837
  308   2HG1  ILE  38          3HG1      ILE  38   3.418   2.290  10.334
  309   1HG2  ILE  38          1HG2      ILE  38   4.569  -1.824  10.735
  310   2HG2  ILE  38          2HG2      ILE  38   3.683  -1.063  12.071
  311   3HG2  ILE  38          3HG2      ILE  38   2.872  -1.436  10.529
  312   1HD1  ILE  38          1HD1      ILE  38   1.795   0.776   9.131
  313   2HD1  ILE  38          2HD1      ILE  38   1.279   0.169  10.723
  314   3HD1  ILE  38          3HD1      ILE  38   1.072   1.878  10.319
  315    H    ASP  39           H        ASP  39   7.422   0.289   9.175
  316    HA   ASP  39           HA       ASP  39   7.514   3.163   8.291
  317   1HB   ASP  39          2HB       ASP  39   9.522   0.901   8.025
  318   2HB   ASP  39          3HB       ASP  39   9.534   2.286   6.946
  319    H    ILE  40           H        ILE  40   6.206   3.513   6.569
  320    HA   ILE  40           HA       ILE  40   6.223   1.480   4.399
  321    HB   ILE  40           HB       ILE  40   3.746   2.824   5.515
  322   1HG1  ILE  40          2HG1      ILE  40   4.176  -0.090   4.772
  323   2HG1  ILE  40          3HG1      ILE  40   4.669   0.500   6.364
  324   1HG2  ILE  40          1HG2      ILE  40   3.624   3.069   3.076
  325   2HG2  ILE  40          2HG2      ILE  40   4.185   1.392   2.839
  326   3HG2  ILE  40          3HG2      ILE  40   2.585   1.717   3.516
  327   1HD1  ILE  40          1HD1      ILE  40   2.366   1.182   6.849
  328   2HD1  ILE  40          2HD1      ILE  40   1.864   0.518   5.273
  329   3HD1  ILE  40          3HD1      ILE  40   2.558  -0.558   6.503
  330    H    THR  41           H        THR  41   6.922   2.257   2.642
  331    HA   THR  41           HA       THR  41   6.733   5.179   2.011
  332    HB   THR  41           HB       THR  41   8.969   3.197   1.416
  333    HG1  THR  41           1HG      THR  41   8.821   4.238   3.493
  334   1HG2  THR  41          1HG2      THR  41   8.721   4.667  -0.530
  335   2HG2  THR  41          2HG2      THR  41   8.625   6.098   0.531
  336   3HG2  THR  41          3HG2      THR  41  10.133   5.164   0.415
  337    H    VAL  42           H        VAL  42   5.390   5.483   0.372
  338    HA   VAL  42           HA       VAL  42   5.230   3.440  -1.796
  339    HB   VAL  42           HB       VAL  42   3.014   5.336  -0.924
  340   1HG1  VAL  42          1HG1      VAL  42   2.981   5.031  -3.346
  341   2HG1  VAL  42          2HG1      VAL  42   3.234   3.279  -3.176
  342   3HG1  VAL  42          3HG1      VAL  42   1.718   4.019  -2.643
  343   1HG2  VAL  42          1HG2      VAL  42   3.222   2.297  -0.761
  344   2HG2  VAL  42          2HG2      VAL  42   3.225   3.414   0.620
  345   3HG2  VAL  42          3HG2      VAL  42   1.779   3.263  -0.379
  346    H    LEU  43           H        LEU  43   6.131   4.113  -3.570
  347    HA   LEU  43           HA       LEU  43   6.438   7.039  -4.108
  348   1HB   LEU  43          2HB       LEU  43   8.502   5.007  -3.789
  349   2HB   LEU  43          3HB       LEU  43   8.466   5.531  -5.466
  350    HG   LEU  43           HG       LEU  43   8.625   7.919  -4.687
  351   1HD1  LEU  43          1HD1      LEU  43   7.765   7.644  -2.365
  352   2HD1  LEU  43          2HD1      LEU  43   9.171   6.636  -1.974
  353   3HD1  LEU  43          3HD1      LEU  43   9.384   8.353  -2.372
  354   1HD2  LEU  43          1HD2      LEU  43  10.845   6.046  -3.758
  355   2HD2  LEU  43          2HD2      LEU  43  10.618   6.662  -5.411
  356   3HD2  LEU  43          3HD2      LEU  43  11.021   7.782  -4.099
  357    H    VAL  44           H        VAL  44   5.910   7.723  -6.168
  358    HA   VAL  44           HA       VAL  44   5.215   5.663  -8.174
  359    HB   VAL  44           HB       VAL  44   3.124   6.079  -7.151
  360   1HG1  VAL  44          1HG1      VAL  44   3.494   8.222  -6.023
  361   2HG1  VAL  44          2HG1      VAL  44   3.533   9.061  -7.592
  362   3HG1  VAL  44          3HG1      VAL  44   2.043   8.267  -7.012
  363   1HG2  VAL  44          1HG2      VAL  44   3.172   7.693  -9.728
  364   2HG2  VAL  44          2HG2      VAL  44   3.212   5.923  -9.650
  365   3HG2  VAL  44          3HG2      VAL  44   1.806   6.798  -9.025
  366    H    GLU  45           H        GLU  45   5.638   6.174 -10.220
  367    HA   GLU  45           HA       GLU  45   6.986   8.759 -10.836
  368   1HB   GLU  45          2HB       GLU  45   8.324   6.447  -9.941
  369   2HB   GLU  45          3HB       GLU  45   8.436   6.300 -11.684
  370   1HG   GLU  45          2HG       GLU  45   9.257   8.779 -10.100
  371   2HG   GLU  45          3HG       GLU  45  10.350   7.458 -10.505
  372    H    TYR  46           H        TYR  46   7.449   8.987 -13.150
  373    HA   TYR  46           HA       TYR  46   6.112   7.104 -14.959
  374   1HB   TYR  46          2HB       TYR  46   4.389   8.876 -14.277
  375   2HB   TYR  46          3HB       TYR  46   5.336  10.023 -15.217
  376    HD1  TYR  46           HD1      TYR  46   2.638   7.795 -15.335
  377    HD2  TYR  46           HD2      TYR  46   6.008   9.062 -17.709
  378    HE1  TYR  46           HE1      TYR  46   1.676   6.652 -17.310
  379    HE2  TYR  46           HE2      TYR  46   5.097   7.847 -19.656
  380    HH   TYR  46           HH       TYR  46   3.658   6.228 -20.291
  381    H    THR  47           H        THR  47   7.877   6.556 -16.020
  382    HA   THR  47           HA       THR  47   9.483   8.649 -17.395
  383    HB   THR  47           HB       THR  47  10.734   8.223 -15.449
  384    HG1  THR  47           1HG      THR  47  12.611   7.655 -16.453
  385   1HG2  THR  47          1HG2      THR  47  10.006   5.900 -14.862
  386   2HG2  THR  47          2HG2      THR  47  11.025   5.285 -16.188
  387   3HG2  THR  47          3HG2      THR  47  11.752   6.152 -14.818
  388    H    ASP  48           H        ASP  48   8.257   8.226 -19.117
  389    HA   ASP  48           HA       ASP  48   7.475   7.366 -21.020
  390   1HB   ASP  48          2HB       ASP  48   9.911   6.709 -21.354
  391   2HB   ASP  48          3HB       ASP  48   9.445   5.072 -20.880
  392    H    GLU  49           H        GLU  49   8.042   4.810 -18.627
  393    HA   GLU  49           HA       GLU  49   5.227   3.840 -18.959
  394   1HB   GLU  49          2HB       GLU  49   7.635   2.516 -17.631
  395   2HB   GLU  49          3HB       GLU  49   5.986   1.883 -17.635
  396   1HG   GLU  49          2HG       GLU  49   6.081   1.846 -20.166
  397   2HG   GLU  49          3HG       GLU  49   7.809   2.217 -20.045
  398    H    LEU  50           H        LEU  50   4.057   3.410 -17.012
  399    HA   LEU  50           HA       LEU  50   4.471   5.340 -14.820
  400   1HB   LEU  50          2HB       LEU  50   2.269   4.772 -16.050
  401   2HB   LEU  50          3HB       LEU  50   2.283   3.240 -15.206
  402    HG   LEU  50           HG       LEU  50   2.186   5.995 -13.883
  403   1HD1  LEU  50          1HD1      LEU  50  -0.007   3.927 -14.337
  404   2HD1  LEU  50          2HD1      LEU  50  -0.185   5.474 -13.481
  405   3HD1  LEU  50          3HD1      LEU  50   0.168   5.464 -15.213
  406   1HD2  LEU  50          1HD2      LEU  50   1.955   3.196 -12.703
  407   2HD2  LEU  50          2HD2      LEU  50   3.044   4.522 -12.210
  408   3HD2  LEU  50          3HD2      LEU  50   1.329   4.646 -11.888
  409    H    LYS  51           H        LYS  51   5.401   4.737 -12.897
  410    HA   LYS  51           HA       LYS  51   5.636   1.822 -12.252
  411   1HB   LYS  51          2HB       LYS  51   7.697   2.695 -13.310
  412   2HB   LYS  51          3HB       LYS  51   7.848   3.909 -12.037
  413   1HG   LYS  51          2HG       LYS  51   8.178   2.207 -10.339
  414   2HG   LYS  51          3HG       LYS  51   7.778   0.907 -11.472
  415   1HD   LYS  51          2HD       LYS  51  10.179   2.766 -11.755
  416   2HD   LYS  51          3HD       LYS  51  10.225   1.164 -10.996
  417   1HE   LYS  51          2HE       LYS  51   9.434   0.122 -13.103
  418   2HE   LYS  51          3HE       LYS  51   9.392   1.708 -13.884
  419   1HZ   LYS  51          1HZ       LYS  51  11.769   1.889 -13.530
  420   2HZ   LYS  51          2HZ       LYS  51  11.819   0.410 -12.807
  421   3HZ   LYS  51          3HZ       LYS  51  11.422   0.539 -14.401
  422    H    VAL  52           H        VAL  52   5.644   1.280 -10.099
  423    HA   VAL  52           HA       VAL  52   5.261   3.391  -8.064
  424    HB   VAL  52           HB       VAL  52   3.454   0.954  -8.381
  425   1HG1  VAL  52          1HG1      VAL  52   3.850   1.439  -5.990
  426   2HG1  VAL  52          2HG1      VAL  52   3.432   3.144  -6.250
  427   3HG1  VAL  52          3HG1      VAL  52   2.206   1.871  -6.440
  428   1HG2  VAL  52          1HG2      VAL  52   2.781   3.916  -8.583
  429   2HG2  VAL  52          2HG2      VAL  52   2.792   2.761  -9.935
  430   3HG2  VAL  52          3HG2      VAL  52   1.613   2.582  -8.634
  431    H    ASP  53           H        ASP  53   6.333   2.943  -6.227
  432    HA   ASP  53           HA       ASP  53   7.407   0.190  -5.773
  433   1HB   ASP  53          2HB       ASP  53   9.240   1.901  -5.948
  434   2HB   ASP  53          3HB       ASP  53   8.506   2.778  -4.596
  435    H    ILE  54           H        ILE  54   6.904  -0.694  -3.856
  436    HA   ILE  54           HA       ILE  54   5.503   0.878  -1.791
  437    HB   ILE  54           HB       ILE  54   4.557  -1.871  -2.713
  438   1HG1  ILE  54          2HG1      ILE  54   3.230   0.860  -2.991
  439   2HG1  ILE  54          3HG1      ILE  54   3.726  -0.231  -4.290
  440   1HG2  ILE  54          1HG2      ILE  54   4.504  -1.389  -0.215
  441   2HG2  ILE  54          2HG2      ILE  54   3.412  -0.035  -0.565
  442   3HG2  ILE  54          3HG2      ILE  54   2.953  -1.712  -0.968
  443   1HD1  ILE  54          1HD1      ILE  54   2.050  -1.919  -3.428
  444   2HD1  ILE  54          2HD1      ILE  54   1.455  -0.670  -2.309
  445   3HD1  ILE  54          3HD1      ILE  54   1.358  -0.420  -4.073
  446    H    SER  55           H        SER  55   7.039   0.851  -0.316
  447    HA   SER  55           HA       SER  55   8.470  -1.729   0.290
  448   1HB   SER  55          2HB       SER  55   9.378   1.181   0.392
  449   2HB   SER  55          3HB       SER  55  10.273  -0.172   1.103
  450    HG   SER  55           HG       SER  55   9.756   0.366  -1.702
  451    H    ALA  56           H        ALA  56   7.892  -2.532   2.257
  452    HA   ALA  56           HA       ALA  56   6.953  -0.675   4.370
  453   1HB   ALA  56          1HB       ALA  56   4.985  -1.649   3.229
  454   2HB   ALA  56          2HB       ALA  56   5.589  -3.281   3.606
  455   3HB   ALA  56          3HB       ALA  56   5.106  -2.174   4.915
  456    H    GLU  57           H        GLU  57   7.391  -1.234   6.468
  457    HA   GLU  57           HA       GLU  57   8.593  -3.864   7.080
  458   1HB   GLU  57          2HB       GLU  57  10.123  -1.431   6.926
  459   2HB   GLU  57          3HB       GLU  57   9.956  -1.815   8.631
  460   1HG   GLU  57          2HG       GLU  57  10.948  -3.767   6.506
  461   2HG   GLU  57          3HG       GLU  57  11.989  -2.765   7.511
  462    H    LEU  58           H        LEU  58   8.410  -4.487   9.235
  463    HA   LEU  58           HA       LEU  58   6.198  -3.148  10.749
  464   1HB   LEU  58          2HB       LEU  58   5.237  -4.874   9.337
  465   2HB   LEU  58          3HB       LEU  58   6.460  -6.037   9.846
  466    HG   LEU  58           HG       LEU  58   5.520  -6.079  12.131
  467   1HD1  LEU  58          1HD1      LEU  58   4.564  -3.847  12.354
  468   2HD1  LEU  58          2HD1      LEU  58   3.442  -4.157  11.006
  469   3HD1  LEU  58          3HD1      LEU  58   3.280  -5.052  12.526
  470   1HD2  LEU  58          1HD2      LEU  58   3.397  -6.507   9.994
  471   2HD2  LEU  58          2HD2      LEU  58   4.700  -7.650  10.400
  472   3HD2  LEU  58          3HD2      LEU  58   3.459  -7.262  11.601
  473    H    TYR  59           H        TYR  59   7.214  -2.450  12.576
  474    HA   TYR  59           HA       TYR  59   9.242  -4.231  13.813
  475   1HB   TYR  59          2HB       TYR  59   8.512  -1.404  14.600
  476   2HB   TYR  59          3HB       TYR  59   9.940  -2.322  15.042
  477    HD1  TYR  59           HD1      TYR  59   8.871   0.303  13.067
  478    HD2  TYR  59           HD2      TYR  59  11.189  -3.320  12.694
  479    HE1  TYR  59           HE1      TYR  59  10.103   1.294  11.194
  480    HE2  TYR  59           HE2      TYR  59  12.390  -2.338  10.754
  481    HH   TYR  59           HH       TYR  59  11.704   1.035   9.581
  482    H    LEU  60           H        LEU  60   8.248  -5.769  14.952
  483    HA   LEU  60           HA       LEU  60   5.973  -5.192  16.735
  484   1HB   LEU  60          2HB       LEU  60   7.513  -7.693  15.942
  485   2HB   LEU  60          3HB       LEU  60   6.362  -7.716  17.276
  486    HG   LEU  60           HG       LEU  60   5.579  -6.744  14.501
  487   1HD1  LEU  60          1HD1      LEU  60   6.329  -9.074  14.308
  488   2HD1  LEU  60          2HD1      LEU  60   5.289  -9.541  15.672
  489   3HD1  LEU  60          3HD1      LEU  60   4.568  -8.961  14.148
  490   1HD2  LEU  60          1HD2      LEU  60   3.854  -7.872  16.748
  491   2HD2  LEU  60          2HD2      LEU  60   4.132  -6.147  16.545
  492   3HD2  LEU  60          3HD2      LEU  60   3.335  -7.046  15.251
  493    H    ASP  61           H        ASP  61   5.998  -5.510  18.986
  494    HA   ASP  61           HA       ASP  61   8.367  -4.712  20.403
  495   1HB   ASP  61          2HB       ASP  61   6.077  -4.396  21.266
  496   2HB   ASP  61          3HB       ASP  61   5.876  -6.152  21.391
  497    H    GLU  62           H        GLU  62   9.687  -5.874  21.803
  498    HA   GLU  62           HA       GLU  62  10.740  -8.366  20.722
  499   1HB   GLU  62          2HB       GLU  62  11.531  -6.733  23.172
  500   2HB   GLU  62          3HB       GLU  62  12.436  -8.107  22.518
  501   1HG   GLU  62          2HG       GLU  62  12.646  -6.872  20.333
  502   2HG   GLU  62          3HG       GLU  62  11.940  -5.454  21.115
  503    H    LEU  63           H        LEU  63   8.052  -8.323  22.014
  504    HA   LEU  63           HA       LEU  63   8.264 -10.713  23.747
  505   1HB   LEU  63          2HB       LEU  63   8.021  -8.385  24.944
  506   2HB   LEU  63          3HB       LEU  63   6.396  -8.379  24.279
  507    HG   LEU  63           HG       LEU  63   5.905 -10.487  25.584
  508   1HD1  LEU  63          1HD1      LEU  63   8.178 -11.403  25.834
  509   2HD1  LEU  63          2HD1      LEU  63   8.674  -9.967  26.756
  510   3HD1  LEU  63          3HD1      LEU  63   7.468 -11.093  27.422
  511   1HD2  LEU  63          1HD2      LEU  63   6.954  -8.133  27.201
  512   2HD2  LEU  63          2HD2      LEU  63   5.350  -8.250  26.453
  513   3HD2  LEU  63          3HD2      LEU  63   5.793  -9.362  27.761
  514    H    SER  64           H        SER  64   7.201  -9.626  20.854
  515    HA   SER  64           HA       SER  64   4.588 -11.106  20.912
  516   1HB   SER  64          2HB       SER  64   5.335  -8.584  19.371
  517   2HB   SER  64          3HB       SER  64   3.812  -9.480  19.217
  518    HG   SER  64           HG       SER  64   4.802  -8.206  21.550
  519    H    ASP  65           H        ASP  65   4.238 -12.588  19.305
  520    HA   ASP  65           HA       ASP  65   6.208 -12.897  17.123
  521   1HB   ASP  65          2HB       ASP  65   6.231 -15.278  17.662
  522   2HB   ASP  65          3HB       ASP  65   6.873 -14.288  18.962
  523    H    ALA  66           H        ALA  66   4.850 -12.117  15.676
  524    HA   ALA  66           HA       ALA  66   2.330 -13.458  14.965
  525   1HB   ALA  66          1HB       ALA  66   2.639 -10.978  14.806
  526   2HB   ALA  66          2HB       ALA  66   3.866 -11.245  13.541
  527   3HB   ALA  66          3HB       ALA  66   2.174 -11.720  13.270
  528    H    ASP  67           H        ASP  67   2.215 -13.720  12.318
  529    HA   ASP  67           HA       ASP  67   3.758 -16.083  11.913
  530   1HB   ASP  67          2HB       ASP  67   1.854 -14.607  10.038
  531   2HB   ASP  67          3HB       ASP  67   2.400 -16.268   9.844
  532    HA   PRO  68           HA       PRO  68   7.177 -14.512   9.653
  533   1HB   PRO  68          2HB       PRO  68   8.182 -16.742   8.432
  534   2HB   PRO  68          3HB       PRO  68   8.056 -16.574  10.202
  535   1HG   PRO  68          2HG       PRO  68   6.053 -17.906   8.343
  536   2HG   PRO  68          3HG       PRO  68   6.838 -18.607   9.800
  537   1HD   PRO  68          2HD       PRO  68   4.388 -17.470   9.950
  538   2HD   PRO  68          3HD       PRO  68   5.588 -17.224  11.253
  539    H    GLY  69           H        GLY  69   4.942 -13.714   8.376
  540   1HA   GLY  69          2HA       GLY  69   5.873 -12.774   5.873
  541   2HA   GLY  69          3HA       GLY  69   4.761 -14.110   5.548
  542    H    ILE  70           H        ILE  70   3.862 -12.385   8.447
  543    HA   ILE  70           HA       ILE  70   1.343 -11.884   7.388
  544    HB   ILE  70           HB       ILE  70   2.201 -12.309   9.762
  545   1HG1  ILE  70          2HG1      ILE  70   0.043 -10.215   9.479
  546   2HG1  ILE  70          3HG1      ILE  70  -0.148 -11.922   9.036
  547   1HG2  ILE  70          1HG2      ILE  70   3.765 -10.355   9.875
  548   2HG2  ILE  70          2HG2      ILE  70   2.351  -9.270   9.919
  549   3HG2  ILE  70          3HG2      ILE  70   2.635 -10.433  11.222
  550   1HD1  ILE  70          1HD1      ILE  70   0.461 -12.590  11.353
  551   2HD1  ILE  70          2HD1      ILE  70   0.455 -10.880  11.818
  552   3HD1  ILE  70          3HD1      ILE  70  -1.040 -11.647  11.256
  553    H    VAL  71           H        VAL  71   4.092  -9.750   7.280
  554    HA   VAL  71           HA       VAL  71   2.463  -7.447   6.436
  555    HB   VAL  71           HB       VAL  71   4.340  -7.023   7.835
  556   1HG1  VAL  71          1HG1      VAL  71   5.918  -8.811   7.174
  557   2HG1  VAL  71          2HG1      VAL  71   6.154  -8.022   5.596
  558   3HG1  VAL  71          3HG1      VAL  71   6.677  -7.220   7.086
  559   1HG2  VAL  71          1HG2      VAL  71   4.892  -5.869   5.081
  560   2HG2  VAL  71          2HG2      VAL  71   3.628  -5.306   6.194
  561   3HG2  VAL  71          3HG2      VAL  71   5.337  -5.172   6.649
  562    H    ASP  72           H        ASP  72   4.251 -10.093   4.898
  563    HA   ASP  72           HA       ASP  72   4.450  -8.910   2.265
  564   1HB   ASP  72          2HB       ASP  72   5.720 -10.934   3.113
  565   2HB   ASP  72          3HB       ASP  72   4.216 -11.854   3.004
  566    H    GLU  73           H        GLU  73   1.970 -10.764   4.032
  567    HA   GLU  73           HA       GLU  73  -0.024 -10.872   1.980
  568   1HB   GLU  73          2HB       GLU  73  -0.357 -10.468   4.973
  569   2HB   GLU  73          3HB       GLU  73  -1.624 -10.996   3.860
  570   1HG   GLU  73          2HG       GLU  73  -0.418 -13.106   3.473
  571   2HG   GLU  73          3HG       GLU  73   0.843 -12.600   4.609
  572    H    ALA  74           H        ALA  74   0.887  -8.199   4.257
  573    HA   ALA  74           HA       ALA  74  -1.397  -6.548   3.577
  574   1HB   ALA  74          1HB       ALA  74   0.075  -6.358   5.685
  575   2HB   ALA  74          2HB       ALA  74   1.292  -5.582   4.642
  576   3HB   ALA  74          3HB       ALA  74  -0.297  -4.845   4.835
  577    H    VAL  75           H        VAL  75   2.002  -6.743   2.395
  578    HA   VAL  75           HA       VAL  75   1.610  -4.542   0.569
  579    HB   VAL  75           HB       VAL  75   3.751  -6.601   0.058
  580   1HG1  VAL  75          1HG1      VAL  75   3.268  -4.485  -1.377
  581   2HG1  VAL  75          2HG1      VAL  75   3.795  -3.564   0.034
  582   3HG1  VAL  75          3HG1      VAL  75   4.929  -4.662  -0.773
  583   1HG2  VAL  75          1HG2      VAL  75   3.671  -4.601   2.361
  584   2HG2  VAL  75          2HG2      VAL  75   4.221  -6.298   2.350
  585   3HG2  VAL  75          3HG2      VAL  75   5.207  -5.075   1.590
  586    H    ASP  76           H        ASP  76   1.436  -8.151   0.057
  587    HA   ASP  76           HA       ASP  76   0.587  -8.080  -2.651
  588   1HB   ASP  76          2HB       ASP  76   1.166 -10.142  -1.455
  589   2HB   ASP  76          3HB       ASP  76  -0.284  -9.976  -0.453
  590    H    ALA  77           H        ALA  77  -1.427  -7.725   0.335
  591    HA   ALA  77           HA       ALA  77  -3.881  -7.488  -1.083
  592   1HB   ALA  77          1HB       ALA  77  -3.744  -7.874   1.337
  593   2HB   ALA  77          2HB       ALA  77  -3.077  -6.247   1.586
  594   3HB   ALA  77          3HB       ALA  77  -4.737  -6.446   0.984
  595    H    ALA  78           H        ALA  78  -1.488  -4.917  -0.204
  596    HA   ALA  78           HA       ALA  78  -2.982  -2.794  -1.463
  597   1HB   ALA  78          1HB       ALA  78  -1.263  -2.369   0.172
  598   2HB   ALA  78          2HB       ALA  78  -0.007  -3.055  -0.888
  599   3HB   ALA  78          3HB       ALA  78  -0.856  -1.561  -1.350
  600    H    TYR  79           H        TYR  79  -0.380  -4.974  -2.790
  601    HA   TYR  79           HA       TYR  79  -0.320  -3.735  -5.368
  602   1HB   TYR  79          2HB       TYR  79   0.200  -6.623  -4.532
  603   2HB   TYR  79          3HB       TYR  79   0.544  -5.986  -6.123
  604    HD1  TYR  79           HD1      TYR  79   1.971  -3.563  -5.900
  605    HD2  TYR  79           HD2      TYR  79   2.166  -7.002  -3.286
  606    HE1  TYR  79           HE1      TYR  79   4.321  -2.999  -5.321
  607    HE2  TYR  79           HE2      TYR  79   4.545  -6.502  -2.819
  608    HH   TYR  79           HH       TYR  79   6.187  -3.591  -4.026
  609    H    ARG  80           H        ARG  80  -2.308  -6.522  -4.193
  610    HA   ARG  80           HA       ARG  80  -3.696  -6.806  -6.716
  611   1HB   ARG  80          2HB       ARG  80  -4.486  -7.907  -4.005
  612   2HB   ARG  80          3HB       ARG  80  -5.116  -8.391  -5.584
  613   1HG   ARG  80          2HG       ARG  80  -2.311  -8.649  -5.888
  614   2HG   ARG  80          3HG       ARG  80  -2.615  -9.159  -4.233
  615   1HD   ARG  80          2HD       ARG  80  -2.675 -11.101  -5.489
  616   2HD   ARG  80          3HD       ARG  80  -4.376 -10.741  -5.132
  617    HE   ARG  80           HE       ARG  80  -3.682  -9.530  -7.653
  618   1HH1  ARG  80          1HH2      ARG  80  -3.987 -12.773  -6.394
  619   2HH1  ARG  80          2HH2      ARG  80  -4.367 -13.462  -7.959
  620   1HH2  ARG  80          1HH1      ARG  80  -4.188 -10.404  -9.635
  621   2HH2  ARG  80          2HH1      ARG  80  -4.474 -12.121  -9.769
  622    H    SER  81           H        SER  81  -4.393  -4.907  -3.788
  623    HA   SER  81           HA       SER  81  -6.967  -3.945  -4.610
  624   1HB   SER  81          2HB       SER  81  -6.083  -3.603  -2.353
  625   2HB   SER  81          3HB       SER  81  -4.777  -2.585  -2.990
  626    HG   SER  81           HG       SER  81  -6.482  -1.319  -2.230
  627    H    LEU  82           H        LEU  82  -3.637  -2.651  -5.271
  628    HA   LEU  82           HA       LEU  82  -4.485  -0.536  -6.952
  629   1HB   LEU  82          2HB       LEU  82  -2.205  -1.067  -5.845
  630   2HB   LEU  82          3HB       LEU  82  -1.872  -2.095  -7.196
  631    HG   LEU  82           HG       LEU  82  -0.860   0.213  -7.203
  632   1HD1  LEU  82          1HD1      LEU  82  -0.971  -1.157  -9.244
  633   2HD1  LEU  82          2HD1      LEU  82  -2.537  -0.426  -9.646
  634   3HD1  LEU  82          3HD1      LEU  82  -1.081   0.579  -9.585
  635   1HD2  LEU  82          1HD2      LEU  82  -3.610   1.194  -8.056
  636   2HD2  LEU  82          2HD2      LEU  82  -2.899   1.482  -6.457
  637   3HD2  LEU  82          3HD2      LEU  82  -2.119   2.136  -7.906
  638    H    GLU  83           H        GLU  83  -3.536  -3.895  -7.785
  639    HA   GLU  83           HA       GLU  83  -3.908  -3.836 -10.585
  640   1HB   GLU  83          2HB       GLU  83  -2.892  -5.643  -9.213
  641   2HB   GLU  83          3HB       GLU  83  -4.478  -5.968  -8.516
  642   1HG   GLU  83          2HG       GLU  83  -5.275  -6.654 -10.807
  643   2HG   GLU  83          3HG       GLU  83  -3.593  -6.528 -11.350
  644    H    SER  84           H        SER  84  -6.367  -4.457  -7.995
  645    HA   SER  84           HA       SER  84  -8.555  -4.598  -9.900
  646   1HB   SER  84          2HB       SER  84  -8.589  -5.749  -7.700
  647   2HB   SER  84          3HB       SER  84  -8.641  -4.164  -6.893
  648    HG   SER  84           HG       SER  84 -10.507  -3.867  -8.518
  649    H    PHE  85           H        PHE  85  -6.990  -1.867  -8.337
  650    HA   PHE  85           HA       PHE  85  -9.218  -0.018  -8.659
  651   1HB   PHE  85          2HB       PHE  85  -7.392   0.122  -6.952
  652   2HB   PHE  85          3HB       PHE  85  -6.241   0.463  -8.224
  653    HD1  PHE  85           HD1      PHE  85  -6.815   2.623  -9.731
  654    HD2  PHE  85           HD2      PHE  85  -8.279   1.889  -5.741
  655    HE1  PHE  85           HE1      PHE  85  -7.011   5.053  -9.357
  656    HE2  PHE  85           HE2      PHE  85  -8.490   4.334  -5.377
  657    HZ   PHE  85           HZ       PHE  85  -7.848   5.924  -7.169
  658    H    LEU  86           H        LEU  86  -6.309  -0.878 -10.546
  659    HA   LEU  86           HA       LEU  86  -6.717   1.113 -12.607
  660   1HB   LEU  86          2HB       LEU  86  -4.998  -1.363 -12.369
  661   2HB   LEU  86          3HB       LEU  86  -5.033  -0.411 -13.830
  662    HG   LEU  86           HG       LEU  86  -3.230  -0.084 -11.834
  663   1HD1  LEU  86          1HD1      LEU  86  -3.008   0.891 -14.038
  664   2HD1  LEU  86          2HD1      LEU  86  -4.191   2.158 -13.629
  665   3HD1  LEU  86          3HD1      LEU  86  -2.629   2.082 -12.803
  666   1HD2  LEU  86          1HD2      LEU  86  -5.181   2.200 -11.290
  667   2HD2  LEU  86          2HD2      LEU  86  -4.765   0.900 -10.156
  668   3HD2  LEU  86          3HD2      LEU  86  -3.534   2.043 -10.661
  669    H    ASP  87           H        ASP  87  -8.729  -1.313 -11.933
  670    HA   ASP  87           HA       ASP  87  -9.650  -2.568 -14.239
  671   1HB   ASP  87          2HB       ASP  87 -10.652  -3.006 -12.145
  672   2HB   ASP  87          3HB       ASP  87 -10.900  -1.298 -11.792
  673    H    GLY  88           H        GLY  88  -9.884   0.886 -13.408
  674   1HA   GLY  88          2HA       GLY  88 -11.341   1.416 -15.970
  675   2HA   GLY  88          3HA       GLY  88 -11.240   2.511 -14.600
  676    H    PHE  89           H        PHE  89  -8.302   0.902 -15.601
  677    HA   PHE  89           HA       PHE  89  -7.389   3.210 -17.265
  678   1HB   PHE  89          2HB       PHE  89  -6.186   2.158 -14.693
  679   2HB   PHE  89          3HB       PHE  89  -5.180   2.967 -15.878
  680    HD1  PHE  89           HD1      PHE  89  -6.049   3.600 -12.860
  681    HD2  PHE  89           HD2      PHE  89  -6.893   5.272 -16.746
  682    HE1  PHE  89           HE1      PHE  89  -6.279   5.847 -11.846
  683    HE2  PHE  89           HE2      PHE  89  -7.135   7.516 -15.719
  684    HZ   PHE  89           HZ       PHE  89  -6.812   7.812 -13.283
  685    H    ARG  90           H        ARG  90  -6.995  -0.235 -16.467
  686    HA   ARG  90           HA       ARG  90  -4.899  -0.430 -18.609
  687   1HB   ARG  90          2HB       ARG  90  -5.303  -1.915 -15.990
  688   2HB   ARG  90          3HB       ARG  90  -4.215  -2.509 -17.235
  689   1HG   ARG  90          2HG       ARG  90  -3.998   0.264 -15.999
  690   2HG   ARG  90          3HG       ARG  90  -3.116  -1.147 -15.411
  691   1HD   ARG  90          2HD       ARG  90  -2.858   0.028 -18.215
  692   2HD   ARG  90          3HD       ARG  90  -1.757   0.327 -16.864
  693    HE   ARG  90           HE       ARG  90  -2.016  -2.484 -17.233
  694   1HH1  ARG  90          1HH2      ARG  90  -0.565   0.227 -18.907
  695   2HH1  ARG  90          2HH2      ARG  90   0.727  -0.731 -19.581
  696   1HH2  ARG  90          1HH1      ARG  90  -0.345  -3.685 -18.123
  697   2HH2  ARG  90          2HH1      ARG  90   0.833  -2.915 -19.142
  698    H    GLU  91           H        GLU  91  -8.064  -1.274 -18.131
  699    HA   GLU  91           HA       GLU  91  -7.969  -2.976 -20.529
  700   1HB   GLU  91          2HB       GLU  91  -9.430  -3.795 -17.979
  701   2HB   GLU  91          3HB       GLU  91  -9.738  -4.475 -19.583
  702   1HG   GLU  91          2HG       GLU  91  -7.306  -5.154 -19.707
  703   2HG   GLU  91          3HG       GLU  91  -7.127  -4.652 -18.023
  Start of MODEL    3
    1    H    MET   1           H1       MET   1 -17.442   7.474 -10.866
    2    HA   MET   1           HA       MET   1 -15.690   8.484  -9.593
    3   1HB   MET   1          2HB       MET   1 -14.755   5.594  -9.335
    4   2HB   MET   1          3HB       MET   1 -13.716   6.990  -9.016
    5   1HG   MET   1          2HG       MET   1 -15.251   7.781  -7.271
    6   2HG   MET   1          3HG       MET   1 -16.303   6.381  -7.543
    7   1HE   MET   1          1HE       MET   1 -14.948   7.347  -4.723
    8   2HE   MET   1          2HE       MET   1 -16.117   6.010  -4.868
    9   3HE   MET   1          3HE       MET   1 -14.570   5.755  -4.029
   10    H    SER   2           H        SER   2 -13.491   8.947 -10.567
   11    HA   SER   2           HA       SER   2 -12.524   7.440 -12.801
   12   1HB   SER   2          2HB       SER   2 -13.892  10.098 -13.388
   13   2HB   SER   2          3HB       SER   2 -12.640   9.403 -14.438
   14    HG   SER   2           HG       SER   2 -14.769   7.752 -13.641
   15    H    LEU   3           H        LEU   3 -10.362   7.807 -12.948
   16    HA   LEU   3           HA       LEU   3  -8.951   9.660 -11.258
   17   1HB   LEU   3          2HB       LEU   3  -8.031   8.243 -13.794
   18   2HB   LEU   3          3HB       LEU   3  -6.992   8.973 -12.571
   19    HG   LEU   3           HG       LEU   3  -8.821   6.575 -12.134
   20   1HD1  LEU   3          1HD1      LEU   3  -6.853   6.107 -13.586
   21   2HD1  LEU   3          2HD1      LEU   3  -5.787   6.665 -12.273
   22   3HD1  LEU   3          3HD1      LEU   3  -6.811   5.237 -12.044
   23   1HD2  LEU   3          1HD2      LEU   3  -6.787   7.869 -10.268
   24   2HD2  LEU   3          2HD2      LEU   3  -8.549   7.800 -10.032
   25   3HD2  LEU   3          3HD2      LEU   3  -7.604   6.313  -9.987
   26    H    ARG   4           H        ARG   4  -7.477  11.404 -12.068
   27    HA   ARG   4           HA       ARG   4  -8.756  13.025 -14.266
   28   1HB   ARG   4          2HB       ARG   4  -7.340  13.993 -11.754
   29   2HB   ARG   4          3HB       ARG   4  -8.127  15.006 -12.952
   30   1HG   ARG   4          2HG       ARG   4  -9.599  13.055 -11.123
   31   2HG   ARG   4          3HG       ARG   4  -9.361  14.766 -10.817
   32   1HD   ARG   4          2HD       ARG   4 -11.573  14.491 -11.676
   33   2HD   ARG   4          3HD       ARG   4 -10.598  15.333 -12.895
   34    HE   ARG   4           HE       ARG   4 -10.720  12.410 -13.182
   35   1HH1  ARG   4          1HH2      ARG   4 -12.357  15.334 -14.232
   36   2HH1  ARG   4          2HH2      ARG   4 -12.797  14.627 -15.768
   37   1HH2  ARG   4          1HH1      ARG   4 -11.145  11.636 -15.065
   38   2HH2  ARG   4          2HH1      ARG   4 -12.174  12.472 -16.229
   39    H    LYS   5           H        LYS   5  -6.589  14.958 -14.126
   40    HA   LYS   5           HA       LYS   5  -4.644  13.809 -15.941
   41   1HB   LYS   5          2HB       LYS   5  -4.749  16.326 -14.225
   42   2HB   LYS   5          3HB       LYS   5  -3.310  15.904 -15.134
   43   1HG   LYS   5          2HG       LYS   5  -6.053  16.220 -16.431
   44   2HG   LYS   5          3HG       LYS   5  -4.927  17.558 -16.230
   45   1HD   LYS   5          2HD       LYS   5  -4.317  15.026 -17.819
   46   2HD   LYS   5          3HD       LYS   5  -4.862  16.564 -18.499
   47   1HE   LYS   5          2HE       LYS   5  -2.859  17.699 -17.556
   48   2HE   LYS   5          3HE       LYS   5  -2.285  16.154 -16.915
   49   1HZ   LYS   5          1HZ       LYS   5  -2.170  15.319 -19.179
   50   2HZ   LYS   5          2HZ       LYS   5  -2.707  16.753 -19.782
   51   3HZ   LYS   5          3HZ       LYS   5  -1.250  16.671 -19.027
   52    H    LEU   6           H        LEU   6  -3.300  12.207 -15.336
   53    HA   LEU   6           HA       LEU   6  -2.729  11.703 -12.552
   54   1HB   LEU   6          2HB       LEU   6  -1.529  10.485 -15.068
   55   2HB   LEU   6          3HB       LEU   6  -1.227   9.925 -13.422
   56    HG   LEU   6           HG       LEU   6  -3.922   9.911 -14.851
   57   1HD1  LEU   6          1HD1      LEU   6  -2.322   8.197 -15.612
   58   2HD1  LEU   6          2HD1      LEU   6  -2.116   7.643 -13.927
   59   3HD1  LEU   6          3HD1      LEU   6  -3.698   7.485 -14.740
   60   1HD2  LEU   6          1HD2      LEU   6  -3.187   9.035 -12.018
   61   2HD2  LEU   6          2HD2      LEU   6  -4.390  10.262 -12.498
   62   3HD2  LEU   6          3HD2      LEU   6  -4.679   8.570 -12.860
   63    H    THR   7           H        THR   7  -1.615  13.021 -11.455
   64    HA   THR   7           HA       THR   7   1.127  13.808 -12.090
   65    HB   THR   7           HB       THR   7  -0.361  15.522 -13.192
   66    HG1  THR   7           1HG      THR   7   0.810  17.223 -12.294
   67   1HG2  THR   7          1HG2      THR   7  -2.180  15.561 -11.391
   68   2HG2  THR   7          2HG2      THR   7  -1.045  16.470 -10.379
   69   3HG2  THR   7          3HG2      THR   7  -1.585  17.136 -11.930
   70    H    GLU   8           H        GLU   8   1.494  15.562 -10.100
   71    HA   GLU   8           HA       GLU   8   2.058  14.091  -7.859
   72   1HB   GLU   8          2HB       GLU   8   2.818  16.393  -8.481
   73   2HB   GLU   8          3HB       GLU   8   1.286  17.033  -7.876
   74   1HG   GLU   8          2HG       GLU   8   1.826  16.202  -5.610
   75   2HG   GLU   8          3HG       GLU   8   3.307  15.451  -6.224
   76    H    GLY   9           H        GLY   9  -1.024  15.953  -8.236
   77   1HA   GLY   9          2HA       GLY   9  -2.109  15.317  -5.689
   78   2HA   GLY   9          3HA       GLY   9  -3.030  15.776  -7.130
   79    H    ASP  10           H        ASP  10  -3.056  13.789  -8.847
   80    HA   ASP  10           HA       ASP  10  -4.675  11.759  -7.671
   81   1HB   ASP  10          2HB       ASP  10  -3.264  12.012 -10.355
   82   2HB   ASP  10          3HB       ASP  10  -4.163  10.562  -9.922
   83    H    LEU  11           H        LEU  11  -1.203  11.752  -8.575
   84    HA   LEU  11           HA       LEU  11  -0.843   8.942  -7.955
   85   1HB   LEU  11          2HB       LEU  11   1.171  11.189  -8.323
   86   2HB   LEU  11          3HB       LEU  11   1.554   9.473  -8.251
   87    HG   LEU  11           HG       LEU  11  -0.143  10.790 -10.421
   88   1HD1  LEU  11          1HD1      LEU  11   2.248  11.385 -10.533
   89   2HD1  LEU  11          2HD1      LEU  11   2.680   9.661 -10.519
   90   3HD1  LEU  11          3HD1      LEU  11   1.767  10.343 -11.884
   91   1HD2  LEU  11          1HD2      LEU  11   0.807   7.916 -10.190
   92   2HD2  LEU  11          2HD2      LEU  11  -0.876   8.486 -10.151
   93   3HD2  LEU  11          3HD2      LEU  11   0.079   8.646 -11.630
   94    H    ASP  12           H        ASP  12  -0.253  11.973  -6.022
   95    HA   ASP  12           HA       ASP  12   0.749  10.611  -3.718
   96   1HB   ASP  12          2HB       ASP  12   0.934  13.031  -4.003
   97   2HB   ASP  12          3HB       ASP  12  -0.829  13.202  -3.932
   98    H    GLU  13           H        GLU  13  -2.671  11.521  -4.623
   99    HA   GLU  13           HA       GLU  13  -3.795  10.331  -2.313
  100   1HB   GLU  13          2HB       GLU  13  -4.987  11.911  -3.810
  101   2HB   GLU  13          3HB       GLU  13  -5.142  10.621  -5.008
  102   1HG   GLU  13          2HG       GLU  13  -7.203  10.806  -3.752
  103   2HG   GLU  13          3HG       GLU  13  -6.457   9.269  -3.367
  104    H    ILE  14           H        ILE  14  -3.026   8.785  -5.493
  105    HA   ILE  14           HA       ILE  14  -4.039   6.196  -4.697
  106    HB   ILE  14           HB       ILE  14  -1.993   7.088  -6.733
  107   1HG1  ILE  14          2HG1      ILE  14  -4.747   5.777  -7.004
  108   2HG1  ILE  14          3HG1      ILE  14  -4.479   7.512  -7.058
  109   1HG2  ILE  14          1HG2      ILE  14  -1.237   4.857  -6.030
  110   2HG2  ILE  14          2HG2      ILE  14  -2.888   4.217  -6.195
  111   3HG2  ILE  14          3HG2      ILE  14  -1.964   4.747  -7.619
  112   1HD1  ILE  14          1HD1      ILE  14  -2.999   7.191  -9.069
  113   2HD1  ILE  14          2HD1      ILE  14  -3.491   5.476  -9.093
  114   3HD1  ILE  14          3HD1      ILE  14  -4.699   6.745  -9.310
  115    H    SER  15           H        SER  15  -0.792   7.735  -4.198
  116    HA   SER  15           HA       SER  15   0.322   5.511  -2.791
  117   1HB   SER  15          2HB       SER  15   2.035   6.899  -2.141
  118   2HB   SER  15          3HB       SER  15   1.476   7.678  -3.623
  119    HG   SER  15           HG       SER  15   0.167   9.071  -2.134
  120    H    SER  16           H        SER  16  -1.765   8.149  -1.628
  121    HA   SER  16           HA       SER  16  -1.815   7.407   1.140
  122   1HB   SER  16          2HB       SER  16  -2.715   9.461   1.040
  123   2HB   SER  16          3HB       SER  16  -3.142   9.293  -0.653
  124    HG   SER  16           HG       SER  16  -5.125   9.259  -0.028
  125    H    PHE  17           H        PHE  17  -4.006   6.507  -1.592
  126    HA   PHE  17           HA       PHE  17  -5.705   4.784  -0.112
  127   1HB   PHE  17          2HB       PHE  17  -6.275   5.502  -2.332
  128   2HB   PHE  17          3HB       PHE  17  -4.813   4.813  -3.010
  129    HD1  PHE  17           HD1      PHE  17  -7.806   3.650  -1.021
  130    HD2  PHE  17           HD2      PHE  17  -5.007   2.815  -4.195
  131    HE1  PHE  17           HE1      PHE  17  -9.006   1.538  -1.530
  132    HE2  PHE  17           HE2      PHE  17  -6.222   0.712  -4.711
  133    HZ   PHE  17           HZ       PHE  17  -8.219   0.070  -3.376
  134    H    LEU  18           H        LEU  18  -2.599   4.031  -1.756
  135    HA   LEU  18           HA       LEU  18  -2.530   1.257  -1.005
  136   1HB   LEU  18          2HB       LEU  18  -0.345   3.268  -1.685
  137   2HB   LEU  18          3HB       LEU  18  -0.044   1.545  -1.477
  138    HG   LEU  18           HG       LEU  18  -2.033   2.623  -3.530
  139   1HD1  LEU  18          1HD1      LEU  18   0.160   3.529  -4.067
  140   2HD1  LEU  18          2HD1      LEU  18   0.907   1.925  -3.896
  141   3HD1  LEU  18          3HD1      LEU  18  -0.254   2.249  -5.206
  142   1HD2  LEU  18          1HD2      LEU  18  -0.662  -0.068  -3.247
  143   2HD2  LEU  18          2HD2      LEU  18  -2.386   0.274  -2.967
  144   3HD2  LEU  18          3HD2      LEU  18  -1.700   0.461  -4.577
  145    H    HIS  19           H        HIS  19  -0.991   4.125   0.573
  146    HA   HIS  19           HA       HIS  19   0.166   2.731   2.731
  147   1HB   HIS  19          2HB       HIS  19   0.658   5.045   2.004
  148   2HB   HIS  19          3HB       HIS  19  -0.912   5.574   2.598
  149    HD1  HIS  19           HD1      HIS  19   0.869   7.275   3.965
  150    HD2  HIS  19           HD2      HIS  19   0.705   3.243   5.119
  151    HE1  HIS  19           HE1      HIS  19   1.928   7.128   6.290
  152    H    ASN  20           H        ASN  20  -3.117   4.235   2.549
  153    HA   ASN  20           HA       ASN  20  -3.959   3.353   5.166
  154   1HB   ASN  20          2HB       ASN  20  -5.469   4.154   2.647
  155   2HB   ASN  20          3HB       ASN  20  -6.282   3.609   4.115
  156   1HD2  ASN  20          2HD2      ASN  20  -4.430   6.268   2.702
  157   2HD2  ASN  20          1HD2      ASN  20  -4.789   7.367   4.043
  158    H    THR  21           H        THR  21  -4.235   1.767   1.916
  159    HA   THR  21           HA       THR  21  -5.769  -0.445   2.786
  160    HB   THR  21           HB       THR  21  -3.696  -0.341   0.552
  161    HG1  THR  21           1HG      THR  21  -5.273   1.161   0.203
  162   1HG2  THR  21          1HG2      THR  21  -4.256  -2.681   0.970
  163   2HG2  THR  21          2HG2      THR  21  -5.991  -2.283   1.042
  164   3HG2  THR  21          3HG2      THR  21  -5.099  -2.128  -0.483
  165    H    ILE  22           H        ILE  22  -2.163  -0.188   2.604
  166    HA   ILE  22           HA       ILE  22  -1.676  -2.809   3.724
  167    HB   ILE  22           HB       ILE  22   0.023  -0.294   3.785
  168   1HG1  ILE  22          2HG1      ILE  22   0.001  -2.650   1.865
  169   2HG1  ILE  22          3HG1      ILE  22  -0.485  -0.992   1.500
  170   1HG2  ILE  22          1HG2      ILE  22   0.703  -2.196   5.450
  171   2HG2  ILE  22          2HG2      ILE  22   1.125  -3.125   3.990
  172   3HG2  ILE  22          3HG2      ILE  22   1.925  -1.604   4.346
  173   1HD1  ILE  22          1HD1      ILE  22   1.949  -0.364   2.225
  174   2HD1  ILE  22          2HD1      ILE  22   2.257  -2.099   1.955
  175   3HD1  ILE  22          3HD1      ILE  22   1.630  -1.085   0.618
  176    H    SER  23           H        SER  23  -1.994   0.442   5.235
  177    HA   SER  23           HA       SER  23  -1.395  -0.338   7.898
  178   1HB   SER  23          2HB       SER  23  -3.297   1.868   7.010
  179   2HB   SER  23          3HB       SER  23  -2.504   1.711   8.587
  180    HG   SER  23           HG       SER  23  -1.353   2.262   6.044
  181    H    ASP  24           H        ASP  24  -4.615  -0.106   6.271
  182    HA   ASP  24           HA       ASP  24  -6.145  -1.135   8.457
  183   1HB   ASP  24          2HB       ASP  24  -6.611  -1.099   5.446
  184   2HB   ASP  24          3HB       ASP  24  -7.799  -1.689   6.607
  185    H    PHE  25           H        PHE  25  -4.491  -2.838   5.704
  186    HA   PHE  25           HA       PHE  25  -5.458  -5.408   6.475
  187   1HB   PHE  25          2HB       PHE  25  -4.347  -4.813   4.280
  188   2HB   PHE  25          3HB       PHE  25  -2.798  -4.843   5.116
  189    HD1  PHE  25           HD1      PHE  25  -5.445  -6.816   3.587
  190    HD2  PHE  25           HD2      PHE  25  -2.014  -7.044   6.189
  191    HE1  PHE  25           HE1      PHE  25  -5.434  -9.288   3.363
  192    HE2  PHE  25           HE2      PHE  25  -1.994  -9.505   5.942
  193    HZ   PHE  25           HZ       PHE  25  -3.720 -10.638   4.560
  194    H    ILE  26           H        ILE  26  -2.434  -3.677   7.482
  195    HA   ILE  26           HA       ILE  26  -1.476  -5.733   9.198
  196    HB   ILE  26           HB       ILE  26  -1.110  -2.729   8.983
  197   1HG1  ILE  26          2HG1      ILE  26   0.800  -5.079   8.537
  198   2HG1  ILE  26          3HG1      ILE  26  -0.142  -4.318   7.262
  199   1HG2  ILE  26          1HG2      ILE  26  -0.860  -3.246  11.360
  200   2HG2  ILE  26          2HG2      ILE  26   0.283  -4.557  10.966
  201   3HG2  ILE  26          3HG2      ILE  26   0.689  -2.854  10.642
  202   1HD1  ILE  26          1HD1      ILE  26   1.002  -2.127   7.787
  203   2HD1  ILE  26          2HD1      ILE  26   2.090  -3.029   8.862
  204   3HD1  ILE  26          3HD1      ILE  26   2.054  -3.407   7.140
  205    H    LEU  27           H        LEU  27  -3.606  -2.871   9.935
  206    HA   LEU  27           HA       LEU  27  -4.060  -3.663  12.639
  207   1HB   LEU  27          2HB       LEU  27  -5.327  -1.762  10.690
  208   2HB   LEU  27          3HB       LEU  27  -6.314  -2.246  12.045
  209    HG   LEU  27           HG       LEU  27  -5.117  -0.135  12.428
  210   1HD1  LEU  27          1HD1      LEU  27  -5.843  -1.568  14.321
  211   2HD1  LEU  27          2HD1      LEU  27  -4.231  -2.314  14.363
  212   3HD1  LEU  27          3HD1      LEU  27  -4.421  -0.582  14.701
  213   1HD2  LEU  27          1HD2      LEU  27  -2.558  -1.784  12.560
  214   2HD2  LEU  27          2HD2      LEU  27  -2.975  -0.615  11.288
  215   3HD2  LEU  27          3HD2      LEU  27  -2.740  -0.063  12.950
  216    H    LYS  28           H        LYS  28  -5.735  -4.830   9.682
  217    HA   LYS  28           HA       LYS  28  -7.551  -6.385  11.382
  218   1HB   LYS  28          2HB       LYS  28  -8.709  -7.008   9.515
  219   2HB   LYS  28          3HB       LYS  28  -8.172  -5.381   9.137
  220   1HG   LYS  28          2HG       LYS  28  -7.173  -5.959   7.332
  221   2HG   LYS  28          3HG       LYS  28  -6.275  -7.306   8.046
  222   1HD   LYS  28          2HD       LYS  28  -9.197  -7.554   7.226
  223   2HD   LYS  28          3HD       LYS  28  -7.878  -7.697   6.071
  224   1HE   LYS  28          2HE       LYS  28  -8.358  -9.903   6.671
  225   2HE   LYS  28          3HE       LYS  28  -6.836  -9.482   7.477
  226   1HZ   LYS  28          1HZ       LYS  28  -7.964  -9.271   9.529
  227   2HZ   LYS  28          2HZ       LYS  28  -9.464  -9.384   8.838
  228   3HZ   LYS  28          3HZ       LYS  28  -8.456 -10.691   8.893
  229    H    ARG  29           H        ARG  29  -4.334  -6.835  10.717
  230    HA   ARG  29           HA       ARG  29  -4.569  -9.808  11.053
  231   1HB   ARG  29          2HB       ARG  29  -2.754  -8.011   9.505
  232   2HB   ARG  29          3HB       ARG  29  -1.928  -9.220  10.416
  233   1HG   ARG  29          2HG       ARG  29  -4.086  -9.789   8.352
  234   2HG   ARG  29          3HG       ARG  29  -2.336  -9.946   8.141
  235   1HD   ARG  29          2HD       ARG  29  -2.363 -11.617  10.083
  236   2HD   ARG  29          3HD       ARG  29  -4.124 -11.605   9.936
  237    HE   ARG  29           HE       ARG  29  -2.385 -12.254   7.560
  238   1HH1  ARG  29          1HH2      ARG  29  -4.504 -13.559  10.026
  239   2HH1  ARG  29          2HH2      ARG  29  -4.815 -15.019   9.120
  240   1HH2  ARG  29          1HH1      ARG  29  -2.816 -14.110   6.426
  241   2HH2  ARG  29          2HH1      ARG  29  -3.862 -15.324   7.122
  242    H    VAL  30           H        VAL  30  -2.893  -6.960  12.431
  243    HA   VAL  30           HA       VAL  30  -2.168  -8.556  14.838
  244    HB   VAL  30           HB       VAL  30  -0.384  -8.815  13.229
  245   1HG1  VAL  30          1HG1      VAL  30  -0.609  -6.826  11.839
  246   2HG1  VAL  30          2HG1      VAL  30  -0.106  -5.788  13.192
  247   3HG1  VAL  30          3HG1      VAL  30   1.027  -6.953  12.466
  248   1HG2  VAL  30          1HG2      VAL  30   0.473  -7.004  15.496
  249   2HG2  VAL  30          2HG2      VAL  30   0.258  -8.774  15.544
  250   3HG2  VAL  30          3HG2      VAL  30   1.522  -8.062  14.542
  251    H    SER  31           H        SER  31  -1.653  -7.272  16.730
  252    HA   SER  31           HA       SER  31  -3.436  -4.952  16.708
  253   1HB   SER  31          2HB       SER  31  -3.767  -6.670  18.338
  254   2HB   SER  31          3HB       SER  31  -2.132  -6.483  18.975
  255    HG   SER  31           HG       SER  31  -3.875  -5.376  20.109
  256    H    ALA  32           H        ALA  32  -3.009  -2.892  16.939
  257    HA   ALA  32           HA       ALA  32  -0.586  -1.558  17.085
  258   1HB   ALA  32          1HB       ALA  32  -3.260  -0.749  18.300
  259   2HB   ALA  32          2HB       ALA  32  -1.906   0.341  17.927
  260   3HB   ALA  32          3HB       ALA  32  -2.748  -0.498  16.612
  261    H    LYS  33           H        LYS  33  -2.087  -3.355  19.719
  262    HA   LYS  33           HA       LYS  33  -0.491  -2.079  21.832
  263   1HB   LYS  33          2HB       LYS  33  -2.772  -3.093  22.145
  264   2HB   LYS  33          3HB       LYS  33  -2.067  -4.689  21.892
  265   1HG   LYS  33          2HG       LYS  33  -0.781  -4.585  23.874
  266   2HG   LYS  33          3HG       LYS  33  -0.964  -2.838  24.045
  267   1HD   LYS  33          2HD       LYS  33  -3.441  -4.578  24.171
  268   2HD   LYS  33          3HD       LYS  33  -2.321  -4.576  25.529
  269   1HE   LYS  33          2HE       LYS  33  -4.048  -2.956  25.968
  270   2HE   LYS  33          3HE       LYS  33  -2.486  -2.152  25.777
  271   1HZ   LYS  33          1HZ       LYS  33  -3.135  -1.551  23.531
  272   2HZ   LYS  33          2HZ       LYS  33  -4.589  -2.303  23.698
  273   3HZ   LYS  33          3HZ       LYS  33  -4.237  -0.977  24.606
  274    H    GLU  34           H        GLU  34   0.235  -4.495  19.473
  275    HA   GLU  34           HA       GLU  34   2.680  -5.319  21.013
  276   1HB   GLU  34          2HB       GLU  34   2.679  -7.377  19.638
  277   2HB   GLU  34          3HB       GLU  34   1.268  -7.242  20.700
  278   1HG   GLU  34          2HG       GLU  34  -0.050  -6.404  18.813
  279   2HG   GLU  34          3HG       GLU  34   1.320  -6.625  17.712
  280    H    ILE  35           H        ILE  35   1.433  -3.965  18.011
  281    HA   ILE  35           HA       ILE  35   4.030  -3.737  16.698
  282    HB   ILE  35           HB       ILE  35   1.421  -2.191  16.329
  283   1HG1  ILE  35          2HG1      ILE  35   0.793  -4.318  15.603
  284   2HG1  ILE  35          3HG1      ILE  35   1.322  -3.558  14.130
  285   1HG2  ILE  35          1HG2      ILE  35   3.247  -0.877  15.458
  286   2HG2  ILE  35          2HG2      ILE  35   3.901  -2.275  14.573
  287   3HG2  ILE  35          3HG2      ILE  35   2.340  -1.550  14.119
  288   1HD1  ILE  35          1HD1      ILE  35   2.213  -5.755  14.127
  289   2HD1  ILE  35          2HD1      ILE  35   3.593  -4.715  14.530
  290   3HD1  ILE  35          3HD1      ILE  35   2.740  -5.638  15.802
  291    H    VAL  36           H        VAL  36   5.618  -2.404  17.302
  292    HA   VAL  36           HA       VAL  36   5.226  -0.179  19.211
  293    HB   VAL  36           HB       VAL  36   7.599  -1.359  17.723
  294   1HG1  VAL  36          1HG1      VAL  36   8.030   1.015  17.563
  295   2HG1  VAL  36          2HG1      VAL  36   7.590   1.259  19.272
  296   3HG1  VAL  36          3HG1      VAL  36   9.048   0.335  18.835
  297   1HG2  VAL  36          1HG2      VAL  36   7.094  -0.810  20.681
  298   2HG2  VAL  36          2HG2      VAL  36   6.767  -2.351  19.875
  299   3HG2  VAL  36          3HG2      VAL  36   8.431  -1.745  19.972
  300    H    ASP  37           H        ASP  37   6.061  -0.608  15.717
  301    HA   ASP  37           HA       ASP  37   4.367   1.615  15.064
  302   1HB   ASP  37          2HB       ASP  37   6.833   2.523  15.834
  303   2HB   ASP  37          3HB       ASP  37   7.148   2.244  14.130
  304    H    ILE  38           H        ILE  38   4.710   2.300  12.692
  305    HA   ILE  38           HA       ILE  38   5.689   0.129  10.940
  306    HB   ILE  38           HB       ILE  38   3.787   0.499   9.355
  307   1HG1  ILE  38          2HG1      ILE  38   2.369   1.781  11.729
  308   2HG1  ILE  38          3HG1      ILE  38   2.838   2.578  10.224
  309   1HG2  ILE  38          1HG2      ILE  38   4.053  -1.496  10.714
  310   2HG2  ILE  38          2HG2      ILE  38   3.026  -0.792  11.985
  311   3HG2  ILE  38          3HG2      ILE  38   2.363  -1.155  10.367
  312   1HD1  ILE  38          1HD1      ILE  38   1.317   1.012   8.970
  313   2HD1  ILE  38          2HD1      ILE  38   0.719   0.427  10.543
  314   3HD1  ILE  38          3HD1      ILE  38   0.503   2.122  10.088
  315    H    ASP  39           H        ASP  39   6.576   0.773   9.070
  316    HA   ASP  39           HA       ASP  39   6.380   3.655   8.306
  317   1HB   ASP  39          2HB       ASP  39   8.918   1.974   8.192
  318   2HB   ASP  39          3HB       ASP  39   8.674   3.496   7.359
  319    H    ILE  40           H        ILE  40   5.678   3.854   6.224
  320    HA   ILE  40           HA       ILE  40   5.786   1.475   4.442
  321    HB   ILE  40           HB       ILE  40   3.314   3.061   5.184
  322   1HG1  ILE  40          2HG1      ILE  40   3.656   0.063   4.843
  323   2HG1  ILE  40          3HG1      ILE  40   4.061   0.840   6.375
  324   1HG2  ILE  40          1HG2      ILE  40   3.357   3.009   2.723
  325   2HG2  ILE  40          2HG2      ILE  40   3.763   1.272   2.739
  326   3HG2  ILE  40          3HG2      ILE  40   2.174   1.837   3.286
  327   1HD1  ILE  40          1HD1      ILE  40   1.773   1.623   6.648
  328   2HD1  ILE  40          2HD1      ILE  40   1.326   0.841   5.106
  329   3HD1  ILE  40          3HD1      ILE  40   1.880  -0.144   6.476
  330    H    THR  41           H        THR  41   6.641   1.948   2.607
  331    HA   THR  41           HA       THR  41   6.938   4.846   1.865
  332    HB   THR  41           HB       THR  41   8.976   2.648   1.349
  333    HG1  THR  41           1HG      THR  41   9.042   2.920   3.549
  334   1HG2  THR  41          1HG2      THR  41   9.067   4.661  -0.125
  335   2HG2  THR  41          2HG2      THR  41   9.142   5.698   1.315
  336   3HG2  THR  41          3HG2      THR  41  10.467   4.571   0.957
  337    H    VAL  42           H        VAL  42   5.836   5.254   0.066
  338    HA   VAL  42           HA       VAL  42   5.618   3.166  -2.062
  339    HB   VAL  42           HB       VAL  42   3.643   5.383  -1.398
  340   1HG1  VAL  42          1HG1      VAL  42   3.716   5.019  -3.821
  341   2HG1  VAL  42          2HG1      VAL  42   3.637   3.258  -3.594
  342   3HG1  VAL  42          3HG1      VAL  42   2.252   4.283  -3.172
  343   1HG2  VAL  42          1HG2      VAL  42   3.369   2.354  -1.183
  344   2HG2  VAL  42          2HG2      VAL  42   3.462   3.487   0.181
  345   3HG2  VAL  42          3HG2      VAL  42   2.073   3.540  -0.906
  346    H    LEU  43           H        LEU  43   6.553   3.667  -3.932
  347    HA   LEU  43           HA       LEU  43   7.195   6.537  -4.530
  348   1HB   LEU  43          2HB       LEU  43   8.710   4.047  -5.426
  349   2HB   LEU  43          3HB       LEU  43   8.995   5.681  -5.978
  350    HG   LEU  43           HG       LEU  43  10.702   5.305  -4.535
  351   1HD1  LEU  43          1HD1      LEU  43   9.596   7.463  -4.042
  352   2HD1  LEU  43          2HD1      LEU  43   8.729   6.691  -2.694
  353   3HD1  LEU  43          3HD1      LEU  43  10.494   6.805  -2.662
  354   1HD2  LEU  43          1HD2      LEU  43   8.857   4.156  -2.410
  355   2HD2  LEU  43          2HD2      LEU  43   9.903   3.221  -3.493
  356   3HD2  LEU  43          3HD2      LEU  43  10.617   4.328  -2.308
  357    H    VAL  44           H        VAL  44   6.411   7.286  -6.398
  358    HA   VAL  44           HA       VAL  44   5.396   5.436  -8.424
  359    HB   VAL  44           HB       VAL  44   3.464   5.699  -7.030
  360   1HG1  VAL  44          1HG1      VAL  44   3.908   7.855  -5.938
  361   2HG1  VAL  44          2HG1      VAL  44   3.634   8.704  -7.471
  362   3HG1  VAL  44          3HG1      VAL  44   2.307   7.821  -6.678
  363   1HG2  VAL  44          1HG2      VAL  44   3.102   7.306  -9.582
  364   2HG2  VAL  44          2HG2      VAL  44   3.172   5.534  -9.479
  365   3HG2  VAL  44          3HG2      VAL  44   1.857   6.411  -8.680
  366    H    GLU  45           H        GLU  45   5.795   6.102 -10.448
  367    HA   GLU  45           HA       GLU  45   6.024   8.939 -11.080
  368   1HB   GLU  45          2HB       GLU  45   8.245   8.946 -11.938
  369   2HB   GLU  45          3HB       GLU  45   8.299   8.515 -10.236
  370   1HG   GLU  45          2HG       GLU  45   8.746   6.191 -10.760
  371   2HG   GLU  45          3HG       GLU  45   8.449   6.462 -12.486
  372    H    TYR  46           H        TYR  46   6.343   9.344 -13.400
  373    HA   TYR  46           HA       TYR  46   5.637   7.028 -15.117
  374   1HB   TYR  46          2HB       TYR  46   3.626   8.520 -14.537
  375   2HB   TYR  46          3HB       TYR  46   4.380   9.752 -15.548
  376    HD1  TYR  46           HD1      TYR  46   5.037   9.044 -17.985
  377    HD2  TYR  46           HD2      TYR  46   2.393   6.757 -15.463
  378    HE1  TYR  46           HE1      TYR  46   4.459   7.587 -19.909
  379    HE2  TYR  46           HE2      TYR  46   1.775   5.333 -17.414
  380    HH   TYR  46           HH       TYR  46   3.723   5.416 -20.364
  381    H    THR  47           H        THR  47   7.338   6.718 -16.345
  382    HA   THR  47           HA       THR  47   8.642   9.013 -17.726
  383    HB   THR  47           HB       THR  47  10.017   8.629 -15.817
  384    HG1  THR  47           1HG      THR  47  11.924   8.139 -16.969
  385   1HG2  THR  47          1HG2      THR  47   9.563   6.210 -15.344
  386   2HG2  THR  47          2HG2      THR  47  10.606   5.785 -16.722
  387   3HG2  THR  47          3HG2      THR  47  11.267   6.659 -15.330
  388    H    ASP  48           H        ASP  48   7.350   8.453 -19.429
  389    HA   ASP  48           HA       ASP  48   6.430   7.438 -21.180
  390   1HB   ASP  48          2HB       ASP  48   9.043   5.923 -21.357
  391   2HB   ASP  48          3HB       ASP  48   7.777   5.919 -22.582
  392    H    GLU  49           H        GLU  49   7.708   5.082 -18.925
  393    HA   GLU  49           HA       GLU  49   5.283   3.363 -19.144
  394   1HB   GLU  49          2HB       GLU  49   7.743   2.477 -19.382
  395   2HB   GLU  49          3HB       GLU  49   7.882   2.830 -17.660
  396   1HG   GLU  49          2HG       GLU  49   5.746   1.294 -17.448
  397   2HG   GLU  49          3HG       GLU  49   6.172   0.759 -19.073
  398    H    LEU  50           H        LEU  50   4.319   2.748 -17.065
  399    HA   LEU  50           HA       LEU  50   4.405   4.814 -14.945
  400   1HB   LEU  50          2HB       LEU  50   2.208   3.998 -15.704
  401   2HB   LEU  50          3HB       LEU  50   2.704   2.331 -15.452
  402    HG   LEU  50           HG       LEU  50   2.790   2.707 -13.001
  403   1HD1  LEU  50          1HD1      LEU  50   1.651   5.471 -13.620
  404   2HD1  LEU  50          2HD1      LEU  50   1.823   4.736 -12.014
  405   3HD1  LEU  50          3HD1      LEU  50   3.263   5.149 -12.940
  406   1HD2  LEU  50          1HD2      LEU  50   0.166   3.548 -14.303
  407   2HD2  LEU  50          2HD2      LEU  50   0.738   1.878 -14.080
  408   3HD2  LEU  50          3HD2      LEU  50   0.365   2.877 -12.668
  409    H    LYS  51           H        LYS  51   5.631   4.537 -13.131
  410    HA   LYS  51           HA       LYS  51   6.327   1.738 -12.281
  411   1HB   LYS  51          2HB       LYS  51   7.891   4.288 -11.761
  412   2HB   LYS  51          3HB       LYS  51   8.292   2.692 -11.146
  413   1HG   LYS  51          2HG       LYS  51   8.320   3.547 -14.074
  414   2HG   LYS  51          3HG       LYS  51   9.723   3.326 -13.028
  415   1HD   LYS  51          2HD       LYS  51   9.173   0.901 -12.795
  416   2HD   LYS  51          3HD       LYS  51   7.785   1.131 -13.884
  417   1HE   LYS  51          2HE       LYS  51   9.351   2.039 -15.612
  418   2HE   LYS  51          3HE       LYS  51  10.718   1.581 -14.582
  419   1HZ   LYS  51          1HZ       LYS  51  10.119  -0.726 -14.884
  420   2HZ   LYS  51          2HZ       LYS  51   8.623  -0.314 -15.514
  421   3HZ   LYS  51          3HZ       LYS  51   9.852  -0.022 -16.406
  422    H    VAL  52           H        VAL  52   5.484   1.147 -10.435
  423    HA   VAL  52           HA       VAL  52   4.994   3.088  -8.318
  424    HB   VAL  52           HB       VAL  52   2.811   3.007  -9.291
  425   1HG1  VAL  52          1HG1      VAL  52   2.919   0.786 -10.438
  426   2HG1  VAL  52          2HG1      VAL  52   2.706  -0.001  -8.859
  427   3HG1  VAL  52          3HG1      VAL  52   1.439   1.052  -9.520
  428   1HG2  VAL  52          1HG2      VAL  52   2.824   1.346  -6.735
  429   2HG2  VAL  52          2HG2      VAL  52   3.035   3.109  -6.820
  430   3HG2  VAL  52          3HG2      VAL  52   1.512   2.372  -7.345
  431    H    ASP  53           H        ASP  53   5.976   2.393  -6.592
  432    HA   ASP  53           HA       ASP  53   6.615  -0.510  -6.262
  433   1HB   ASP  53          2HB       ASP  53   8.490   1.890  -6.245
  434   2HB   ASP  53          3HB       ASP  53   8.924   0.285  -5.657
  435    H    ILE  54           H        ILE  54   6.667  -1.219  -4.172
  436    HA   ILE  54           HA       ILE  54   5.796   0.703  -2.056
  437    HB   ILE  54           HB       ILE  54   4.563  -1.997  -2.744
  438   1HG1  ILE  54          2HG1      ILE  54   3.440   0.811  -3.147
  439   2HG1  ILE  54          3HG1      ILE  54   3.900  -0.324  -4.416
  440   1HG2  ILE  54          1HG2      ILE  54   4.505  -1.465  -0.294
  441   2HG2  ILE  54          2HG2      ILE  54   3.660   0.051  -0.667
  442   3HG2  ILE  54          3HG2      ILE  54   2.915  -1.529  -1.028
  443   1HD1  ILE  54          1HD1      ILE  54   2.131  -1.910  -3.588
  444   2HD1  ILE  54          2HD1      ILE  54   1.560  -0.613  -2.505
  445   3HD1  ILE  54          3HD1      ILE  54   1.540  -0.383  -4.272
  446    H    SER  55           H        SER  55   6.741   0.438  -0.151
  447    HA   SER  55           HA       SER  55   7.785  -2.240   0.646
  448   1HB   SER  55          2HB       SER  55   9.665  -0.638   0.075
  449   2HB   SER  55          3HB       SER  55   9.103   0.397   1.406
  450    HG   SER  55           HG       SER  55   9.623  -1.165   2.926
  451    H    ALA  56           H        ALA  56   7.251  -2.781   2.745
  452    HA   ALA  56           HA       ALA  56   6.074  -0.730   4.482
  453   1HB   ALA  56          1HB       ALA  56   4.124  -1.810   3.460
  454   2HB   ALA  56          2HB       ALA  56   4.718  -3.410   3.976
  455   3HB   ALA  56          3HB       ALA  56   4.235  -2.195   5.187
  456    H    GLU  57           H        GLU  57   6.736  -0.858   6.465
  457    HA   GLU  57           HA       GLU  57   8.545  -3.068   7.316
  458   1HB   GLU  57          2HB       GLU  57   8.652  -0.079   7.867
  459   2HB   GLU  57          3HB       GLU  57   9.749  -1.291   8.483
  460   1HG   GLU  57          2HG       GLU  57  10.910  -0.157   6.854
  461   2HG   GLU  57          3HG       GLU  57  10.558  -1.747   6.200
  462    H    LEU  58           H        LEU  58   8.034  -3.950   9.260
  463    HA   LEU  58           HA       LEU  58   5.878  -2.713  10.911
  464   1HB   LEU  58          2HB       LEU  58   5.060  -4.503   9.394
  465   2HB   LEU  58          3HB       LEU  58   6.270  -5.607  10.052
  466    HG   LEU  58           HG       LEU  58   5.160  -5.408  12.307
  467   1HD1  LEU  58          1HD1      LEU  58   3.989  -3.324  12.198
  468   2HD1  LEU  58          2HD1      LEU  58   3.166  -3.787  10.686
  469   3HD1  LEU  58          3HD1      LEU  58   2.733  -4.569  12.202
  470   1HD2  LEU  58          1HD2      LEU  58   3.347  -6.330  10.043
  471   2HD2  LEU  58          2HD2      LEU  58   4.682  -7.274  10.751
  472   3HD2  LEU  58          3HD2      LEU  58   3.281  -6.856  11.742
  473    H    TYR  59           H        TYR  59   6.631  -2.259  12.888
  474    HA   TYR  59           HA       TYR  59   8.967  -3.823  13.893
  475   1HB   TYR  59          2HB       TYR  59   8.126  -0.935  14.296
  476   2HB   TYR  59          3HB       TYR  59   9.450  -1.723  15.138
  477    HD1  TYR  59           HD1      TYR  59  11.396  -2.669  13.827
  478    HD2  TYR  59           HD2      TYR  59   8.462  -0.083  11.981
  479    HE1  TYR  59           HE1      TYR  59  12.978  -2.173  11.983
  480    HE2  TYR  59           HE2      TYR  59  10.067   0.468  10.202
  481    HH   TYR  59           HH       TYR  59  13.325  -1.002  10.041
  482    H    LEU  60           H        LEU  60   8.318  -5.321  15.232
  483    HA   LEU  60           HA       LEU  60   6.028  -5.067  17.049
  484   1HB   LEU  60          2HB       LEU  60   8.070  -7.229  16.406
  485   2HB   LEU  60          3HB       LEU  60   7.055  -7.372  17.813
  486    HG   LEU  60           HG       LEU  60   6.287  -8.684  15.863
  487   1HD1  LEU  60          1HD1      LEU  60   4.780  -8.148  17.674
  488   2HD1  LEU  60          2HD1      LEU  60   4.400  -6.576  16.968
  489   3HD1  LEU  60          3HD1      LEU  60   3.888  -8.067  16.149
  490   1HD2  LEU  60          1HD2      LEU  60   5.484  -6.024  14.637
  491   2HD2  LEU  60          2HD2      LEU  60   6.765  -7.096  14.031
  492   3HD2  LEU  60          3HD2      LEU  60   5.078  -7.638  14.029
  493    H    ASP  61           H        ASP  61   6.104  -5.170  19.275
  494    HA   ASP  61           HA       ASP  61   8.334  -4.028  20.703
  495   1HB   ASP  61          2HB       ASP  61   6.006  -3.962  21.545
  496   2HB   ASP  61          3HB       ASP  61   6.009  -5.727  21.697
  497    H    GLU  62           H        GLU  62   9.799  -5.058  22.162
  498    HA   GLU  62           HA       GLU  62  11.023  -7.438  21.035
  499   1HB   GLU  62          2HB       GLU  62  12.736  -7.143  22.734
  500   2HB   GLU  62          3HB       GLU  62  12.384  -5.637  21.896
  501   1HG   GLU  62          2HG       GLU  62  11.068  -4.829  23.816
  502   2HG   GLU  62          3HG       GLU  62  11.301  -6.368  24.652
  503    H    LEU  63           H        LEU  63   8.354  -7.359  22.793
  504    HA   LEU  63           HA       LEU  63   8.720 -10.080  23.956
  505   1HB   LEU  63          2HB       LEU  63   7.157  -7.684  24.940
  506   2HB   LEU  63          3HB       LEU  63   6.945  -9.292  25.621
  507    HG   LEU  63           HG       LEU  63   9.624  -7.826  25.662
  508   1HD1  LEU  63          1HD1      LEU  63   7.970  -6.575  26.956
  509   2HD1  LEU  63          2HD1      LEU  63   7.512  -8.050  27.840
  510   3HD1  LEU  63          3HD1      LEU  63   9.145  -7.361  28.023
  511   1HD2  LEU  63          1HD2      LEU  63   8.592 -10.274  27.167
  512   2HD2  LEU  63          2HD2      LEU  63   9.821 -10.275  25.879
  513   3HD2  LEU  63          3HD2      LEU  63  10.167  -9.487  27.420
  514    H    SER  64           H        SER  64   7.662  -8.901  21.268
  515    HA   SER  64           HA       SER  64   5.508 -10.932  21.111
  516   1HB   SER  64          2HB       SER  64   5.082  -8.009  20.404
  517   2HB   SER  64          3HB       SER  64   4.012  -9.329  19.869
  518    HG   SER  64           HG       SER  64   4.672  -9.389  22.555
  519    H    ASP  65           H        ASP  65   4.836 -11.431  18.833
  520    HA   ASP  65           HA       ASP  65   6.819 -10.983  16.761
  521   1HB   ASP  65          2HB       ASP  65   7.959 -12.569  18.341
  522   2HB   ASP  65          3HB       ASP  65   6.639 -13.713  18.112
  523    H    ALA  66           H        ALA  66   5.315 -10.575  15.319
  524    HA   ALA  66           HA       ALA  66   2.796 -11.947  14.947
  525   1HB   ALA  66          1HB       ALA  66   3.270  -9.548  14.408
  526   2HB   ALA  66          2HB       ALA  66   4.314 -10.082  13.071
  527   3HB   ALA  66          3HB       ALA  66   2.570 -10.440  13.055
  528    H    ASP  67           H        ASP  67   2.339 -12.569  12.407
  529    HA   ASP  67           HA       ASP  67   3.679 -15.064  12.196
  530   1HB   ASP  67          2HB       ASP  67   1.671 -13.740  10.320
  531   2HB   ASP  67          3HB       ASP  67   2.109 -15.443  10.312
  532    HA   PRO  68           HA       PRO  68   6.898 -14.079   9.344
  533   1HB   PRO  68          2HB       PRO  68   7.689 -16.541   8.479
  534   2HB   PRO  68          3HB       PRO  68   7.797 -16.031  10.186
  535   1HG   PRO  68          2HG       PRO  68   5.553 -17.618   8.886
  536   2HG   PRO  68          3HG       PRO  68   6.494 -18.041  10.357
  537   1HD   PRO  68          2HD       PRO  68   4.096 -16.789  10.536
  538   2HD   PRO  68          3HD       PRO  68   5.443 -16.353  11.630
  539    H    GLY  69           H        GLY  69   4.971 -13.082   8.165
  540   1HA   GLY  69          2HA       GLY  69   5.331 -13.016   5.392
  541   2HA   GLY  69          3HA       GLY  69   4.037 -14.192   5.653
  542    H    ILE  70           H        ILE  70   3.451 -12.227   8.182
  543    HA   ILE  70           HA       ILE  70   1.091 -11.253   7.225
  544    HB   ILE  70           HB       ILE  70   2.228 -11.590   9.582
  545   1HG1  ILE  70          2HG1      ILE  70   0.038  -9.541   9.275
  546   2HG1  ILE  70          3HG1      ILE  70  -0.166 -11.298   9.109
  547   1HG2  ILE  70          1HG2      ILE  70   3.799  -9.654   9.361
  548   2HG2  ILE  70          2HG2      ILE  70   2.384  -8.561   9.447
  549   3HG2  ILE  70          3HG2      ILE  70   2.807  -9.607  10.808
  550   1HD1  ILE  70          1HD1      ILE  70   0.861 -11.557  11.423
  551   2HD1  ILE  70          2HD1      ILE  70   0.711  -9.800  11.600
  552   3HD1  ILE  70          3HD1      ILE  70  -0.735 -10.805  11.400
  553    H    VAL  71           H        VAL  71   4.157  -9.632   6.931
  554    HA   VAL  71           HA       VAL  71   3.118  -7.016   6.115
  555    HB   VAL  71           HB       VAL  71   5.831  -8.348   5.943
  556   1HG1  VAL  71          1HG1      VAL  71   5.779  -6.673   4.196
  557   2HG1  VAL  71          2HG1      VAL  71   5.106  -5.460   5.318
  558   3HG1  VAL  71          3HG1      VAL  71   6.763  -6.068   5.525
  559   1HG2  VAL  71          1HG2      VAL  71   4.760  -6.196   7.810
  560   2HG2  VAL  71          2HG2      VAL  71   5.158  -7.869   8.260
  561   3HG2  VAL  71          3HG2      VAL  71   6.446  -6.762   7.775
  562    H    ASP  72           H        ASP  72   4.761  -9.760   4.471
  563    HA   ASP  72           HA       ASP  72   4.548  -8.866   1.806
  564   1HB   ASP  72          2HB       ASP  72   5.905 -10.792   2.663
  565   2HB   ASP  72          3HB       ASP  72   4.422 -11.732   2.833
  566    H    GLU  73           H        GLU  73   2.169 -10.673   3.812
  567    HA   GLU  73           HA       GLU  73   0.085 -10.832   1.850
  568   1HB   GLU  73          2HB       GLU  73  -0.093 -10.414   4.862
  569   2HB   GLU  73          3HB       GLU  73  -1.452 -10.788   3.802
  570   1HG   GLU  73          2HG       GLU  73  -0.432 -12.972   3.256
  571   2HG   GLU  73          3HG       GLU  73   0.828 -12.658   4.460
  572    H    ALA  74           H        ALA  74   1.051  -8.080   4.016
  573    HA   ALA  74           HA       ALA  74  -1.355  -6.545   3.410
  574   1HB   ALA  74          1HB       ALA  74   0.153  -6.248   5.467
  575   2HB   ALA  74          2HB       ALA  74   1.316  -5.444   4.378
  576   3HB   ALA  74          3HB       ALA  74  -0.301  -4.767   4.597
  577    H    VAL  75           H        VAL  75   1.987  -6.655   2.144
  578    HA   VAL  75           HA       VAL  75   1.543  -4.488   0.271
  579    HB   VAL  75           HB       VAL  75   3.755  -6.568   0.144
  580   1HG1  VAL  75          1HG1      VAL  75   3.360  -5.002  -1.838
  581   2HG1  VAL  75          2HG1      VAL  75   3.660  -3.658  -0.755
  582   3HG1  VAL  75          3HG1      VAL  75   4.952  -4.832  -1.077
  583   1HG2  VAL  75          1HG2      VAL  75   3.576  -3.926   1.692
  584   2HG2  VAL  75          2HG2      VAL  75   3.891  -5.523   2.365
  585   3HG2  VAL  75          3HG2      VAL  75   5.105  -4.769   1.344
  586    H    ASP  76           H        ASP  76   1.488  -8.107  -0.165
  587    HA   ASP  76           HA       ASP  76   0.575  -8.189  -2.844
  588   1HB   ASP  76          2HB       ASP  76   1.229 -10.193  -1.729
  589   2HB   ASP  76          3HB       ASP  76   0.092  -9.915  -0.405
  590    H    ALA  77           H        ALA  77  -1.366  -7.801   0.185
  591    HA   ALA  77           HA       ALA  77  -3.883  -7.650  -1.149
  592   1HB   ALA  77          1HB       ALA  77  -3.677  -8.030   1.266
  593   2HB   ALA  77          2HB       ALA  77  -3.015  -6.397   1.493
  594   3HB   ALA  77          3HB       ALA  77  -4.689  -6.610   0.940
  595    H    ALA  78           H        ALA  78  -1.505  -5.035  -0.349
  596    HA   ALA  78           HA       ALA  78  -3.044  -2.938  -1.556
  597   1HB   ALA  78          1HB       ALA  78  -1.181  -2.547  -0.034
  598   2HB   ALA  78          2HB       ALA  78  -0.008  -3.150  -1.227
  599   3HB   ALA  78          3HB       ALA  78  -0.940  -1.684  -1.556
  600    H    TYR  79           H        TYR  79  -0.506  -5.105  -3.020
  601    HA   TYR  79           HA       TYR  79  -0.591  -3.873  -5.593
  602   1HB   TYR  79          2HB       TYR  79   0.020  -6.724  -4.687
  603   2HB   TYR  79          3HB       TYR  79   0.166  -6.219  -6.352
  604    HD1  TYR  79           HD1      TYR  79   1.564  -3.901  -6.649
  605    HD2  TYR  79           HD2      TYR  79   2.088  -6.863  -3.534
  606    HE1  TYR  79           HE1      TYR  79   3.969  -3.305  -6.499
  607    HE2  TYR  79           HE2      TYR  79   4.530  -6.350  -3.498
  608    HH   TYR  79           HH       TYR  79   5.995  -3.829  -5.552
  609    H    ARG  80           H        ARG  80  -2.467  -6.732  -4.372
  610    HA   ARG  80           HA       ARG  80  -3.971  -6.916  -6.853
  611   1HB   ARG  80          2HB       ARG  80  -4.305  -8.313  -4.182
  612   2HB   ARG  80          3HB       ARG  80  -5.353  -8.577  -5.595
  613   1HG   ARG  80          2HG       ARG  80  -3.250  -9.002  -6.971
  614   2HG   ARG  80          3HG       ARG  80  -2.328  -9.028  -5.467
  615   1HD   ARG  80          2HD       ARG  80  -4.702 -10.836  -6.046
  616   2HD   ARG  80          3HD       ARG  80  -3.040 -11.255  -6.474
  617    HE   ARG  80           HE       ARG  80  -2.499 -10.911  -3.983
  618   1HH1  ARG  80          1HH2      ARG  80  -5.435 -12.428  -5.184
  619   2HH1  ARG  80          2HH2      ARG  80  -5.636 -13.409  -3.750
  620   1HH2  ARG  80          1HH1      ARG  80  -2.859 -12.082  -2.144
  621   2HH2  ARG  80          2HH1      ARG  80  -4.180 -13.235  -2.055
  622    H    SER  81           H        SER  81  -4.557  -5.118  -3.869
  623    HA   SER  81           HA       SER  81  -7.237  -4.295  -4.614
  624   1HB   SER  81          2HB       SER  81  -5.182  -2.778  -2.957
  625   2HB   SER  81          3HB       SER  81  -6.916  -2.422  -3.081
  626    HG   SER  81           HG       SER  81  -5.608  -4.668  -1.956
  627    H    LEU  82           H        LEU  82  -3.958  -2.886  -5.235
  628    HA   LEU  82           HA       LEU  82  -4.871  -0.682  -6.764
  629   1HB   LEU  82          2HB       LEU  82  -2.599  -0.988  -5.798
  630   2HB   LEU  82          3HB       LEU  82  -2.257  -2.234  -6.980
  631    HG   LEU  82           HG       LEU  82  -2.486  -0.598  -8.824
  632   1HD1  LEU  82          1HD1      LEU  82  -4.056   1.032  -7.898
  633   2HD1  LEU  82          2HD1      LEU  82  -2.902   1.460  -6.610
  634   3HD1  LEU  82          3HD1      LEU  82  -2.547   1.840  -8.311
  635   1HD2  LEU  82          1HD2      LEU  82  -0.572   0.260  -6.617
  636   2HD2  LEU  82          2HD2      LEU  82  -0.288  -0.997  -7.838
  637   3HD2  LEU  82          3HD2      LEU  82  -0.452   0.697  -8.331
  638    H    GLU  83           H        GLU  83  -3.838  -3.979  -7.849
  639    HA   GLU  83           HA       GLU  83  -4.323  -3.619 -10.629
  640   1HB   GLU  83          2HB       GLU  83  -3.112  -5.472  -9.545
  641   2HB   GLU  83          3HB       GLU  83  -4.602  -6.015  -8.774
  642   1HG   GLU  83          2HG       GLU  83  -5.536  -6.633 -10.965
  643   2HG   GLU  83          3HG       GLU  83  -4.075  -6.022 -11.764
  644    H    SER  84           H        SER  84  -6.573  -4.701  -8.032
  645    HA   SER  84           HA       SER  84  -8.868  -5.014  -9.700
  646   1HB   SER  84          2HB       SER  84  -8.812  -4.267  -6.744
  647   2HB   SER  84          3HB       SER  84 -10.151  -5.010  -7.633
  648    HG   SER  84           HG       SER  84  -7.602  -6.131  -6.991
  649    H    PHE  85           H        PHE  85  -7.636  -2.182  -7.919
  650    HA   PHE  85           HA       PHE  85  -9.807  -0.387  -8.535
  651   1HB   PHE  85          2HB       PHE  85  -8.292  -0.101  -6.660
  652   2HB   PHE  85          3HB       PHE  85  -6.896  -0.082  -7.708
  653    HD1  PHE  85           HD1      PHE  85  -6.542   1.874  -9.311
  654    HD2  PHE  85           HD2      PHE  85  -9.304   1.937  -6.002
  655    HE1  PHE  85           HE1      PHE  85  -6.366   4.349  -9.208
  656    HE2  PHE  85           HE2      PHE  85  -9.135   4.411  -5.908
  657    HZ   PHE  85           HZ       PHE  85  -7.661   5.621  -7.504
  658    H    LEU  86           H        LEU  86  -6.629  -1.046 -10.151
  659    HA   LEU  86           HA       LEU  86  -7.057   0.987 -12.134
  660   1HB   LEU  86          2HB       LEU  86  -4.852  -0.235 -11.248
  661   2HB   LEU  86          3HB       LEU  86  -5.195  -1.342 -12.577
  662    HG   LEU  86           HG       LEU  86  -5.153   0.671 -14.128
  663   1HD1  LEU  86          1HD1      LEU  86  -5.628   2.514 -12.561
  664   2HD1  LEU  86          2HD1      LEU  86  -4.193   2.103 -11.597
  665   3HD1  LEU  86          3HD1      LEU  86  -4.018   2.741 -13.243
  666   1HD2  LEU  86          1HD2      LEU  86  -2.675   0.189 -12.409
  667   2HD2  LEU  86          2HD2      LEU  86  -3.175  -0.765 -13.823
  668   3HD2  LEU  86          3HD2      LEU  86  -2.675   0.923 -14.026
  669    H    ASP  87           H        ASP  87  -7.768  -2.529 -12.094
  670    HA   ASP  87           HA       ASP  87  -8.789  -2.784 -14.721
  671   1HB   ASP  87          2HB       ASP  87  -9.702  -3.997 -12.082
  672   2HB   ASP  87          3HB       ASP  87 -10.386  -4.449 -13.638
  673    H    GLY  88           H        GLY  88 -10.048  -0.805 -12.100
  674   1HA   GLY  88          2HA       GLY  88 -12.693  -0.486 -13.395
  675   2HA   GLY  88          3HA       GLY  88 -12.142   0.228 -11.873
  676    H    PHE  89           H        PHE  89  -9.626   0.867 -13.908
  677    HA   PHE  89           HA       PHE  89 -10.810   3.399 -14.977
  678   1HB   PHE  89          2HB       PHE  89  -8.323   3.171 -13.252
  679   2HB   PHE  89          3HB       PHE  89  -8.902   4.646 -14.017
  680    HD1  PHE  89           HD1      PHE  89  -8.687   3.176 -10.936
  681    HD2  PHE  89           HD2      PHE  89 -11.665   4.950 -13.495
  682    HE1  PHE  89           HE1      PHE  89 -10.095   3.665  -8.963
  683    HE2  PHE  89           HE2      PHE  89 -13.081   5.410 -11.522
  684    HZ   PHE  89           HZ       PHE  89 -12.289   4.786  -9.237
  685    H    ARG  90           H        ARG  90  -8.664   0.794 -15.642
  686    HA   ARG  90           HA       ARG  90  -7.875   2.204 -18.175
  687   1HB   ARG  90          2HB       ARG  90  -6.099   0.467 -16.403
  688   2HB   ARG  90          3HB       ARG  90  -5.709   0.967 -18.048
  689   1HG   ARG  90          2HG       ARG  90  -5.901   3.384 -17.288
  690   2HG   ARG  90          3HG       ARG  90  -6.001   2.775 -15.618
  691   1HD   ARG  90          2HD       ARG  90  -3.835   1.595 -15.934
  692   2HD   ARG  90          3HD       ARG  90  -3.777   2.163 -17.605
  693    HE   ARG  90           HE       ARG  90  -3.888   4.137 -15.377
  694   1HH1  ARG  90          1HH2      ARG  90  -1.992   2.767 -17.995
  695   2HH1  ARG  90          2HH2      ARG  90  -0.834   4.066 -17.992
  696   1HH2  ARG  90          1HH1      ARG  90  -2.346   5.784 -15.395
  697   2HH2  ARG  90          2HH1      ARG  90  -1.031   5.722 -16.527
  698    H    GLU  91           H        GLU  91  -8.467  -0.938 -16.622
  699    HA   GLU  91           HA       GLU  91  -8.654  -3.058 -17.443
  700   1HB   GLU  91          2HB       GLU  91  -9.930  -1.706 -19.852
  701   2HB   GLU  91          3HB       GLU  91  -9.997  -3.429 -19.477
  702   1HG   GLU  91          2HG       GLU  91 -11.208  -2.981 -17.395
  703   2HG   GLU  91          3HG       GLU  91 -11.148  -1.241 -17.700
  Start of MODEL    4
    1    H    MET   1           H1       MET   1 -16.178   2.438 -12.687
    2    HA   MET   1           HA       MET   1 -14.744   3.410 -11.083
    3   1HB   MET   1          2HB       MET   1 -12.742   2.524 -13.020
    4   2HB   MET   1          3HB       MET   1 -12.444   4.176 -12.515
    5   1HG   MET   1          2HG       MET   1 -12.818   1.808 -10.645
    6   2HG   MET   1          3HG       MET   1 -11.290   2.575 -11.070
    7   1HE   MET   1          1HE       MET   1 -11.958   2.067  -8.119
    8   2HE   MET   1          2HE       MET   1 -10.521   2.964  -8.665
    9   3HE   MET   1          3HE       MET   1 -11.547   3.631  -7.375
   10    H    SER   2           H        SER   2 -13.752   5.762 -11.244
   11    HA   SER   2           HA       SER   2 -14.857   7.333 -13.505
   12   1HB   SER   2          2HB       SER   2 -16.677   7.285 -11.873
   13   2HB   SER   2          3HB       SER   2 -15.570   7.814 -10.586
   14    HG   SER   2           HG       SER   2 -15.132   9.648 -11.943
   15    H    LEU   3           H        LEU   3 -12.179   6.645 -12.922
   16    HA   LEU   3           HA       LEU   3 -10.795   8.626 -11.369
   17   1HB   LEU   3          2HB       LEU   3  -9.798   6.588 -13.407
   18   2HB   LEU   3          3HB       LEU   3  -8.771   7.496 -12.301
   19    HG   LEU   3           HG       LEU   3 -10.968   5.587 -11.400
   20   1HD1  LEU   3          1HD1      LEU   3  -9.056   4.446 -12.573
   21   2HD1  LEU   3          2HD1      LEU   3  -7.986   5.104 -11.318
   22   3HD1  LEU   3          3HD1      LEU   3  -9.278   3.990 -10.872
   23   1HD2  LEU   3          1HD2      LEU   3 -10.477   7.274  -9.673
   24   2HD2  LEU   3          2HD2      LEU   3  -9.824   5.710  -9.198
   25   3HD2  LEU   3          3HD2      LEU   3  -8.735   6.959  -9.833
   26    H    ARG   4           H        ARG   4  -8.827   9.782 -12.382
   27    HA   ARG   4           HA       ARG   4  -9.913  11.561 -14.524
   28   1HB   ARG   4          2HB       ARG   4  -9.761  12.070 -11.805
   29   2HB   ARG   4          3HB       ARG   4  -8.203  12.660 -12.348
   30   1HG   ARG   4          2HG       ARG   4  -9.556  14.065 -14.093
   31   2HG   ARG   4          3HG       ARG   4 -10.982  13.541 -13.196
   32   1HD   ARG   4          2HD       ARG   4 -10.592  15.540 -12.143
   33   2HD   ARG   4          3HD       ARG   4  -9.656  14.492 -11.086
   34    HE   ARG   4           HE       ARG   4  -8.678  16.498 -13.018
   35   1HH1  ARG   4          1HH2      ARG   4  -7.588  13.874 -10.845
   36   2HH1  ARG   4          2HH2      ARG   4  -5.961  14.254 -11.058
   37   1HH2  ARG   4          1HH1      ARG   4  -6.460  16.925 -13.217
   38   2HH2  ARG   4          2HH1      ARG   4  -5.369  15.804 -12.440
   39    H    LYS   5           H        LYS   5  -8.114  13.267 -15.091
   40    HA   LYS   5           HA       LYS   5  -5.808  12.028 -16.349
   41   1HB   LYS   5          2HB       LYS   5  -6.717  14.888 -15.839
   42   2HB   LYS   5          3HB       LYS   5  -5.053  14.569 -16.291
   43   1HG   LYS   5          2HG       LYS   5  -6.168  15.125 -18.265
   44   2HG   LYS   5          3HG       LYS   5  -5.790  13.403 -18.346
   45   1HD   LYS   5          2HD       LYS   5  -8.139  12.851 -17.774
   46   2HD   LYS   5          3HD       LYS   5  -8.531  14.574 -17.656
   47   1HE   LYS   5          2HE       LYS   5  -7.507  13.136 -20.149
   48   2HE   LYS   5          3HE       LYS   5  -9.202  13.518 -19.828
   49   1HZ   LYS   5          1HZ       LYS   5  -8.620  15.866 -19.838
   50   2HZ   LYS   5          2HZ       LYS   5  -7.040  15.517 -20.128
   51   3HZ   LYS   5          3HZ       LYS   5  -8.178  15.170 -21.261
   52    H    LEU   6           H        LEU   6  -4.136  11.209 -15.248
   53    HA   LEU   6           HA       LEU   6  -3.896  11.568 -12.470
   54   1HB   LEU   6          2HB       LEU   6  -1.857  10.334 -14.379
   55   2HB   LEU   6          3HB       LEU   6  -1.963  10.128 -12.644
   56    HG   LEU   6           HG       LEU   6  -4.360   9.157 -13.129
   57   1HD1  LEU   6          1HD1      LEU   6  -4.637   9.498 -15.497
   58   2HD1  LEU   6          2HD1      LEU   6  -2.994   8.887 -15.847
   59   3HD1  LEU   6          3HD1      LEU   6  -4.274   7.797 -15.305
   60   1HD2  LEU   6          1HD2      LEU   6  -1.793   7.656 -13.823
   61   2HD2  LEU   6          2HD2      LEU   6  -2.463   7.889 -12.190
   62   3HD2  LEU   6          3HD2      LEU   6  -3.338   6.905 -13.368
   63    H    THR   7           H        THR   7  -3.041  13.190 -11.386
   64    HA   THR   7           HA       THR   7  -0.302  14.106 -12.067
   65    HB   THR   7           HB       THR   7  -1.870  15.787 -12.990
   66    HG1  THR   7           1HG      THR   7  -0.785  17.504 -12.017
   67   1HG2  THR   7          1HG2      THR   7  -3.688  15.613 -11.260
   68   2HG2  THR   7          2HG2      THR   7  -2.613  16.408 -10.097
   69   3HG2  THR   7          3HG2      THR   7  -3.135  17.271 -11.556
   70    H    GLU   8           H        GLU   8   0.109  15.796  -9.979
   71    HA   GLU   8           HA       GLU   8   0.973  14.150  -7.928
   72   1HB   GLU   8          2HB       GLU   8   0.141  17.070  -7.761
   73   2HB   GLU   8          3HB       GLU   8   1.139  16.232  -6.564
   74   1HG   GLU   8          2HG       GLU   8   2.898  15.839  -8.212
   75   2HG   GLU   8          3HG       GLU   8   1.912  16.529  -9.503
   76    H    GLY   9           H        GLY   9  -2.224  15.760  -8.028
   77   1HA   GLY   9          2HA       GLY   9  -3.083  14.992  -5.401
   78   2HA   GLY   9          3HA       GLY   9  -4.125  15.443  -6.759
   79    H    ASP  10           H        ASP  10  -3.561  13.362  -8.616
   80    HA   ASP  10           HA       ASP  10  -5.104  11.161  -7.540
   81   1HB   ASP  10          2HB       ASP  10  -3.412  11.139 -10.069
   82   2HB   ASP  10          3HB       ASP  10  -4.839  10.168  -9.708
   83    H    LEU  11           H        LEU  11  -1.647  11.703  -8.281
   84    HA   LEU  11           HA       LEU  11  -0.794   9.046  -7.556
   85   1HB   LEU  11          2HB       LEU  11   0.614  11.665  -8.010
   86   2HB   LEU  11          3HB       LEU  11   1.481  10.299  -7.323
   87    HG   LEU  11           HG       LEU  11   1.130   8.937  -9.244
   88   1HD1  LEU  11          1HD1      LEU  11  -1.117   9.508 -10.016
   89   2HD1  LEU  11          2HD1      LEU  11  -0.532  11.094 -10.572
   90   3HD1  LEU  11          3HD1      LEU  11   0.063   9.601 -11.322
   91   1HD2  LEU  11          1HD2      LEU  11   1.900  11.730 -10.164
   92   2HD2  LEU  11          2HD2      LEU  11   2.969  10.582  -9.325
   93   3HD2  LEU  11          3HD2      LEU  11   2.357  10.197 -10.941
   94    H    ASP  12           H        ASP  12  -1.075  12.077  -5.532
   95    HA   ASP  12           HA       ASP  12  -0.246  10.666  -3.143
   96   1HB   ASP  12          2HB       ASP  12  -0.440  13.166  -3.354
   97   2HB   ASP  12          3HB       ASP  12  -2.191  13.001  -3.290
   98    H    GLU  13           H        GLU  13  -3.573  11.235  -4.592
   99    HA   GLU  13           HA       GLU  13  -5.000   9.916  -2.580
  100   1HB   GLU  13          2HB       GLU  13  -6.003  11.176  -4.477
  101   2HB   GLU  13          3HB       GLU  13  -5.589   9.847  -5.571
  102   1HG   GLU  13          2HG       GLU  13  -7.041   8.323  -4.200
  103   2HG   GLU  13          3HG       GLU  13  -7.481   9.695  -3.184
  104    H    ILE  14           H        ILE  14  -3.473   8.410  -5.458
  105    HA   ILE  14           HA       ILE  14  -4.112   5.695  -4.719
  106    HB   ILE  14           HB       ILE  14  -2.070   6.968  -6.555
  107   1HG1  ILE  14          2HG1      ILE  14  -4.531   5.270  -7.192
  108   2HG1  ILE  14          3HG1      ILE  14  -4.603   7.021  -7.057
  109   1HG2  ILE  14          1HG2      ILE  14  -1.049   4.871  -5.893
  110   2HG2  ILE  14          2HG2      ILE  14  -2.584   3.998  -6.109
  111   3HG2  ILE  14          3HG2      ILE  14  -1.699   4.654  -7.507
  112   1HD1  ILE  14          1HD1      ILE  14  -2.913   7.228  -8.891
  113   2HD1  ILE  14          2HD1      ILE  14  -3.018   5.465  -9.132
  114   3HD1  ILE  14          3HD1      ILE  14  -4.446   6.483  -9.377
  115    H    SER  15           H        SER  15  -1.043   7.625  -4.198
  116    HA   SER  15           HA       SER  15   0.348   5.538  -2.890
  117   1HB   SER  15          2HB       SER  15   1.403   7.565  -3.773
  118   2HB   SER  15          3HB       SER  15   0.596   8.549  -2.525
  119    HG   SER  15           HG       SER  15   2.887   7.674  -2.176
  120    H    SER  16           H        SER  16  -1.657   8.109  -1.493
  121    HA   SER  16           HA       SER  16  -1.467   7.320   1.252
  122   1HB   SER  16          2HB       SER  16  -3.449   9.049  -0.290
  123   2HB   SER  16          3HB       SER  16  -3.479   8.826   1.466
  124    HG   SER  16           HG       SER  16  -1.896  10.568   0.073
  125    H    PHE  17           H        PHE  17  -3.916   6.500  -1.341
  126    HA   PHE  17           HA       PHE  17  -5.539   4.835   0.320
  127   1HB   PHE  17          2HB       PHE  17  -6.330   5.533  -1.830
  128   2HB   PHE  17          3HB       PHE  17  -4.929   4.855  -2.648
  129    HD1  PHE  17           HD1      PHE  17  -7.913   3.843  -0.608
  130    HD2  PHE  17           HD2      PHE  17  -4.995   2.694  -3.569
  131    HE1  PHE  17           HE1      PHE  17  -9.132   1.710  -0.988
  132    HE2  PHE  17           HE2      PHE  17  -6.219   0.566  -3.949
  133    HZ   PHE  17           HZ       PHE  17  -8.289   0.077  -2.653
  134    H    LEU  18           H        LEU  18  -2.592   4.024  -1.593
  135    HA   LEU  18           HA       LEU  18  -2.574   1.237  -0.880
  136   1HB   LEU  18          2HB       LEU  18  -0.417   3.190  -1.770
  137   2HB   LEU  18          3HB       LEU  18  -0.095   1.475  -1.526
  138    HG   LEU  18           HG       LEU  18  -2.284   2.437  -3.417
  139   1HD1  LEU  18          1HD1      LEU  18  -0.159   3.414  -4.157
  140   2HD1  LEU  18          2HD1      LEU  18   0.625   1.819  -4.080
  141   3HD1  LEU  18          3HD1      LEU  18  -0.680   2.135  -5.251
  142   1HD2  LEU  18          1HD2      LEU  18  -0.728  -0.170  -3.282
  143   2HD2  LEU  18          2HD2      LEU  18  -2.397   0.063  -2.707
  144   3HD2  LEU  18          3HD2      LEU  18  -2.023   0.261  -4.409
  145    H    HIS  19           H        HIS  19  -0.934   4.077   0.632
  146    HA   HIS  19           HA       HIS  19   0.313   2.655   2.735
  147   1HB   HIS  19          2HB       HIS  19   0.827   4.972   2.151
  148   2HB   HIS  19          3HB       HIS  19  -0.785   5.486   2.637
  149    HD1  HIS  19           HD1      HIS  19   0.551   7.179   4.325
  150    HD2  HIS  19           HD2      HIS  19   0.860   3.068   5.112
  151    HE1  HIS  19           HE1      HIS  19   1.431   6.949   6.718
  152    H    ASN  20           H        ASN  20  -2.984   4.201   2.723
  153    HA   ASN  20           HA       ASN  20  -3.729   3.129   5.277
  154   1HB   ASN  20          2HB       ASN  20  -5.134   4.435   3.012
  155   2HB   ASN  20          3HB       ASN  20  -6.113   3.234   3.851
  156   1HD2  ASN  20          2HD2      ASN  20  -6.326   3.380   6.278
  157   2HD2  ASN  20          1HD2      ASN  20  -6.232   5.027   6.927
  158    H    THR  21           H        THR  21  -4.029   1.664   1.995
  159    HA   THR  21           HA       THR  21  -5.562  -0.565   2.808
  160    HB   THR  21           HB       THR  21  -3.483  -0.438   0.581
  161    HG1  THR  21           1HG      THR  21  -5.091   1.119   0.337
  162   1HG2  THR  21          1HG2      THR  21  -4.090  -2.772   0.946
  163   2HG2  THR  21          2HG2      THR  21  -5.816  -2.343   1.050
  164   3HG2  THR  21          3HG2      THR  21  -4.945  -2.175  -0.486
  165    H    ILE  22           H        ILE  22  -1.967  -0.253   2.735
  166    HA   ILE  22           HA       ILE  22  -1.525  -2.880   3.906
  167    HB   ILE  22           HB       ILE  22   0.232  -0.410   3.872
  168   1HG1  ILE  22          2HG1      ILE  22   0.129  -2.787   1.983
  169   2HG1  ILE  22          3HG1      ILE  22  -0.293  -1.114   1.612
  170   1HG2  ILE  22          1HG2      ILE  22   0.865  -2.281   5.593
  171   2HG2  ILE  22          2HG2      ILE  22   1.233  -3.270   4.162
  172   3HG2  ILE  22          3HG2      ILE  22   2.099  -1.771   4.461
  173   1HD1  ILE  22          1HD1      ILE  22   2.165  -0.577   2.357
  174   2HD1  ILE  22          2HD1      ILE  22   2.407  -2.322   2.050
  175   3HD1  ILE  22          3HD1      ILE  22   1.812  -1.260   0.737
  176    H    SER  23           H        SER  23  -1.640   0.465   5.315
  177    HA   SER  23           HA       SER  23  -0.939  -0.303   7.949
  178   1HB   SER  23          2HB       SER  23  -0.902   2.002   7.061
  179   2HB   SER  23          3HB       SER  23  -2.679   2.030   7.065
  180    HG   SER  23           HG       SER  23  -1.646   2.934   8.964
  181    H    ASP  24           H        ASP  24  -4.252   0.116   6.551
  182    HA   ASP  24           HA       ASP  24  -5.642  -0.776   8.901
  183   1HB   ASP  24          2HB       ASP  24  -6.425  -0.604   5.965
  184   2HB   ASP  24          3HB       ASP  24  -7.511  -1.181   7.220
  185    H    PHE  25           H        PHE  25  -4.356  -2.621   6.016
  186    HA   PHE  25           HA       PHE  25  -5.461  -5.138   6.836
  187   1HB   PHE  25          2HB       PHE  25  -4.428  -4.714   4.629
  188   2HB   PHE  25          3HB       PHE  25  -2.849  -4.565   5.377
  189    HD1  PHE  25           HD1      PHE  25  -5.010  -6.757   3.666
  190    HD2  PHE  25           HD2      PHE  25  -2.019  -6.714   6.775
  191    HE1  PHE  25           HE1      PHE  25  -4.642  -9.188   3.363
  192    HE2  PHE  25           HE2      PHE  25  -1.638  -9.129   6.445
  193    HZ   PHE  25           HZ       PHE  25  -2.980 -10.383   4.763
  194    H    ILE  26           H        ILE  26  -2.313  -3.545   7.723
  195    HA   ILE  26           HA       ILE  26  -1.430  -5.630   9.439
  196    HB   ILE  26           HB       ILE  26  -0.792  -2.683   9.118
  197   1HG1  ILE  26          2HG1      ILE  26   0.806  -5.248   8.626
  198   2HG1  ILE  26          3HG1      ILE  26  -0.055  -4.340   7.388
  199   1HG2  ILE  26          1HG2      ILE  26  -0.486  -3.130  11.486
  200   2HG2  ILE  26          2HG2      ILE  26   0.454  -4.601  11.121
  201   3HG2  ILE  26          3HG2      ILE  26   1.072  -2.980  10.707
  202   1HD1  ILE  26          1HD1      ILE  26   2.214  -3.715   7.189
  203   2HD1  ILE  26          2HD1      ILE  26   1.412  -2.335   7.961
  204   3HD1  ILE  26          3HD1      ILE  26   2.406  -3.455   8.927
  205    H    LEU  27           H        LEU  27  -3.183  -2.544  10.263
  206    HA   LEU  27           HA       LEU  27  -3.471  -3.156  13.014
  207   1HB   LEU  27          2HB       LEU  27  -4.761  -1.304  11.040
  208   2HB   LEU  27          3HB       LEU  27  -5.714  -1.649  12.455
  209    HG   LEU  27           HG       LEU  27  -4.387   0.404  12.660
  210   1HD1  LEU  27          1HD1      LEU  27  -5.119  -0.912  14.649
  211   2HD1  LEU  27          2HD1      LEU  27  -3.522  -1.693  14.684
  212   3HD1  LEU  27          3HD1      LEU  27  -3.669   0.064  14.924
  213   1HD2  LEU  27          1HD2      LEU  27  -1.920  -1.386  12.774
  214   2HD2  LEU  27          2HD2      LEU  27  -2.329  -0.257  11.462
  215   3HD2  LEU  27          3HD2      LEU  27  -1.984   0.361  13.081
  216    H    LYS  28           H        LYS  28  -5.508  -4.229  10.307
  217    HA   LYS  28           HA       LYS  28  -7.422  -5.565  12.097
  218   1HB   LYS  28          2HB       LYS  28  -7.067  -5.490   9.076
  219   2HB   LYS  28          3HB       LYS  28  -8.367  -6.371   9.886
  220   1HG   LYS  28          2HG       LYS  28  -9.365  -4.400  10.765
  221   2HG   LYS  28          3HG       LYS  28  -7.949  -3.409  10.441
  222   1HD   LYS  28          2HD       LYS  28  -9.677  -2.857   8.863
  223   2HD   LYS  28          3HD       LYS  28  -8.305  -3.587   8.022
  224   1HE   LYS  28          2HE       LYS  28  -9.505  -5.768   7.969
  225   2HE   LYS  28          3HE       LYS  28 -10.888  -5.017   8.783
  226   1HZ   LYS  28          1HZ       LYS  28 -11.082  -3.505   6.896
  227   2HZ   LYS  28          2HZ       LYS  28  -9.801  -4.208   6.148
  228   3HZ   LYS  28          3HZ       LYS  28 -11.187  -5.066   6.378
  229    H    ARG  29           H        ARG  29  -4.324  -6.428  11.108
  230    HA   ARG  29           HA       ARG  29  -4.899  -9.348  11.465
  231   1HB   ARG  29          2HB       ARG  29  -4.068  -8.684   9.257
  232   2HB   ARG  29          3HB       ARG  29  -2.692  -7.864   9.995
  233   1HG   ARG  29          2HG       ARG  29  -2.013  -9.941   9.022
  234   2HG   ARG  29          3HG       ARG  29  -1.787  -9.970  10.770
  235   1HD   ARG  29          2HD       ARG  29  -3.686 -11.438  11.079
  236   2HD   ARG  29          3HD       ARG  29  -4.186 -11.245   9.394
  237    HE   ARG  29           HE       ARG  29  -2.044 -12.991  10.423
  238   1HH1  ARG  29          1HH2      ARG  29  -3.171 -11.424   7.413
  239   2HH1  ARG  29          2HH2      ARG  29  -2.084 -12.518   6.501
  240   1HH2  ARG  29          1HH1      ARG  29  -0.780 -14.197   9.050
  241   2HH2  ARG  29          2HH1      ARG  29  -0.956 -13.890   7.272
  242    H    VAL  30           H        VAL  30  -2.741  -6.722  12.584
  243    HA   VAL  30           HA       VAL  30  -2.389  -8.223  15.122
  244    HB   VAL  30           HB       VAL  30  -0.132  -6.714  13.721
  245   1HG1  VAL  30          1HG1      VAL  30   0.009  -6.537  16.154
  246   2HG1  VAL  30          2HG1      VAL  30  -0.237  -8.293  16.335
  247   3HG1  VAL  30          3HG1      VAL  30   1.240  -7.663  15.589
  248   1HG2  VAL  30          1HG2      VAL  30  -0.481  -9.708  14.162
  249   2HG2  VAL  30          2HG2      VAL  30  -0.426  -8.852  12.603
  250   3HG2  VAL  30          3HG2      VAL  30   1.017  -8.916  13.622
  251    H    SER  31           H        SER  31  -2.898  -6.939  16.826
  252    HA   SER  31           HA       SER  31  -3.814  -4.230  16.432
  253   1HB   SER  31          2HB       SER  31  -4.812  -5.720  18.104
  254   2HB   SER  31          3HB       SER  31  -3.274  -5.766  19.004
  255    HG   SER  31           HG       SER  31  -4.940  -4.161  19.667
  256    H    ALA  32           H        ALA  32  -2.786  -2.321  16.738
  257    HA   ALA  32           HA       ALA  32  -0.122  -1.927  16.759
  258   1HB   ALA  32          1HB       ALA  32  -1.711  -0.237  16.113
  259   2HB   ALA  32          2HB       ALA  32  -2.296  -0.089  17.792
  260   3HB   ALA  32          3HB       ALA  32  -0.647   0.414  17.376
  261    H    LYS  33           H        LYS  33  -1.952  -2.652  19.711
  262    HA   LYS  33           HA       LYS  33   0.007  -1.673  21.573
  263   1HB   LYS  33          2HB       LYS  33  -0.937  -3.096  23.175
  264   2HB   LYS  33          3HB       LYS  33  -2.259  -2.417  22.227
  265   1HG   LYS  33          2HG       LYS  33  -2.660  -4.496  21.103
  266   2HG   LYS  33          3HG       LYS  33  -1.169  -5.215  21.696
  267   1HD   LYS  33          2HD       LYS  33  -3.464  -4.369  23.492
  268   2HD   LYS  33          3HD       LYS  33  -3.251  -6.008  22.875
  269   1HE   LYS  33          2HE       LYS  33  -1.103  -4.578  24.501
  270   2HE   LYS  33          3HE       LYS  33  -2.395  -5.512  25.258
  271   1HZ   LYS  33          1HZ       LYS  33  -1.608  -7.478  24.152
  272   2HZ   LYS  33          2HZ       LYS  33  -0.543  -6.696  23.236
  273   3HZ   LYS  33          3HZ       LYS  33  -0.288  -6.775  24.850
  274    H    GLU  34           H        GLU  34   0.100  -4.393  19.471
  275    HA   GLU  34           HA       GLU  34   2.456  -5.669  20.735
  276   1HB   GLU  34          2HB       GLU  34   1.197  -6.105  17.998
  277   2HB   GLU  34          3HB       GLU  34   2.329  -7.168  18.798
  278   1HG   GLU  34          2HG       GLU  34  -0.546  -6.629  19.665
  279   2HG   GLU  34          3HG       GLU  34   0.061  -8.078  18.876
  280    H    ILE  35           H        ILE  35   1.942  -2.988  18.626
  281    HA   ILE  35           HA       ILE  35   4.398  -3.494  17.010
  282    HB   ILE  35           HB       ILE  35   1.955  -1.749  16.606
  283   1HG1  ILE  35          2HG1      ILE  35   2.915  -4.271  15.182
  284   2HG1  ILE  35          3HG1      ILE  35   1.559  -4.192  16.303
  285   1HG2  ILE  35          1HG2      ILE  35   3.860  -0.618  15.631
  286   2HG2  ILE  35          2HG2      ILE  35   4.307  -2.091  14.730
  287   3HG2  ILE  35          3HG2      ILE  35   2.789  -1.213  14.388
  288   1HD1  ILE  35          1HD1      ILE  35   0.362  -2.668  14.709
  289   2HD1  ILE  35          2HD1      ILE  35   1.672  -2.953  13.540
  290   3HD1  ILE  35          3HD1      ILE  35   0.681  -4.303  14.096
  291    H    VAL  36           H        VAL  36   6.157  -2.299  17.270
  292    HA   VAL  36           HA       VAL  36   6.289  -0.035  19.160
  293    HB   VAL  36           HB       VAL  36   8.300  -1.352  17.280
  294   1HG1  VAL  36          1HG1      VAL  36   8.895   0.985  17.303
  295   2HG1  VAL  36          2HG1      VAL  36   8.723   1.063  19.075
  296   3HG1  VAL  36          3HG1      VAL  36  10.022   0.097  18.334
  297   1HG2  VAL  36          1HG2      VAL  36   8.199  -1.145  20.321
  298   2HG2  VAL  36          2HG2      VAL  36   7.712  -2.562  19.374
  299   3HG2  VAL  36          3HG2      VAL  36   9.398  -2.033  19.351
  300    H    ASP  37           H        ASP  37   6.657  -0.571  15.615
  301    HA   ASP  37           HA       ASP  37   4.985   1.663  15.032
  302   1HB   ASP  37          2HB       ASP  37   7.494   2.600  15.573
  303   2HB   ASP  37          3HB       ASP  37   7.697   2.229  13.870
  304    H    ILE  38           H        ILE  38   5.183   2.239  12.576
  305    HA   ILE  38           HA       ILE  38   6.045  -0.052  10.899
  306    HB   ILE  38           HB       ILE  38   4.084   0.328   9.374
  307   1HG1  ILE  38          2HG1      ILE  38   2.814   1.716  11.776
  308   2HG1  ILE  38          3HG1      ILE  38   3.227   2.462  10.231
  309   1HG2  ILE  38          1HG2      ILE  38   4.339  -1.638  10.826
  310   2HG2  ILE  38          2HG2      ILE  38   3.358  -0.843  12.074
  311   3HG2  ILE  38          3HG2      ILE  38   2.664  -1.251  10.479
  312   1HD1  ILE  38          1HD1      ILE  38   1.603   0.907   9.097
  313   2HD1  ILE  38          2HD1      ILE  38   1.072   0.378  10.713
  314   3HD1  ILE  38          3HD1      ILE  38   0.879   2.066  10.228
  315    H    ASP  39           H        ASP  39   7.054   0.529   9.052
  316    HA   ASP  39           HA       ASP  39   6.989   3.434   8.248
  317   1HB   ASP  39          2HB       ASP  39   9.216   1.414   7.802
  318   2HB   ASP  39          3HB       ASP  39   9.041   2.901   6.893
  319    H    ILE  40           H        ILE  40   5.942   3.699   6.327
  320    HA   ILE  40           HA       ILE  40   5.874   1.430   4.417
  321    HB   ILE  40           HB       ILE  40   3.452   2.998   5.349
  322   1HG1  ILE  40          2HG1      ILE  40   3.824   0.007   4.949
  323   2HG1  ILE  40          3HG1      ILE  40   4.206   0.783   6.491
  324   1HG2  ILE  40          1HG2      ILE  40   3.377   3.016   2.901
  325   2HG2  ILE  40          2HG2      ILE  40   3.830   1.296   2.834
  326   3HG2  ILE  40          3HG2      ILE  40   2.248   1.787   3.455
  327   1HD1  ILE  40          1HD1      ILE  40   1.886   1.516   6.741
  328   2HD1  ILE  40          2HD1      ILE  40   1.483   0.679   5.217
  329   3HD1  ILE  40          3HD1      ILE  40   2.063  -0.250   6.613
  330    H    THR  41           H        THR  41   6.657   2.023   2.573
  331    HA   THR  41           HA       THR  41   6.697   4.941   1.829
  332    HB   THR  41           HB       THR  41   8.827   2.812   1.349
  333    HG1  THR  41           1HG      THR  41   8.888   3.683   3.406
  334   1HG2  THR  41          1HG2      THR  41   8.752   4.302  -0.579
  335   2HG2  THR  41          2HG2      THR  41   8.689   5.737   0.481
  336   3HG2  THR  41          3HG2      THR  41  10.147   4.724   0.425
  337    H    VAL  42           H        VAL  42   5.358   5.232   0.190
  338    HA   VAL  42           HA       VAL  42   5.215   3.207  -1.992
  339    HB   VAL  42           HB       VAL  42   3.032   5.091  -1.062
  340   1HG1  VAL  42          1HG1      VAL  42   2.928   4.898  -3.493
  341   2HG1  VAL  42          2HG1      VAL  42   3.209   3.144  -3.417
  342   3HG1  VAL  42          3HG1      VAL  42   1.695   3.833  -2.813
  343   1HG2  VAL  42          1HG2      VAL  42   3.127   2.058  -1.067
  344   2HG2  VAL  42          2HG2      VAL  42   3.268   3.082   0.377
  345   3HG2  VAL  42          3HG2      VAL  42   1.768   3.077  -0.545
  346    H    LEU  43           H        LEU  43   6.196   3.835  -3.751
  347    HA   LEU  43           HA       LEU  43   6.406   6.743  -4.451
  348   1HB   LEU  43          2HB       LEU  43   8.456   4.576  -4.342
  349   2HB   LEU  43          3HB       LEU  43   8.396   5.430  -5.872
  350    HG   LEU  43           HG       LEU  43   8.645   7.608  -4.710
  351   1HD1  LEU  43          1HD1      LEU  43   7.794   7.043  -2.462
  352   2HD1  LEU  43          2HD1      LEU  43   9.134   5.897  -2.237
  353   3HD1  LEU  43          3HD1      LEU  43   9.452   7.640  -2.365
  354   1HD2  LEU  43          1HD2      LEU  43  10.816   5.553  -4.101
  355   2HD2  LEU  43          2HD2      LEU  43  10.594   6.416  -5.640
  356   3HD2  LEU  43          3HD2      LEU  43  11.035   7.316  -4.182
  357    H    VAL  44           H        VAL  44   5.811   7.311  -6.521
  358    HA   VAL  44           HA       VAL  44   5.138   5.195  -8.465
  359    HB   VAL  44           HB       VAL  44   3.041   5.520  -7.306
  360   1HG1  VAL  44          1HG1      VAL  44   3.331   7.749  -6.325
  361   2HG1  VAL  44          2HG1      VAL  44   3.208   8.483  -7.936
  362   3HG1  VAL  44          3HG1      VAL  44   1.820   7.626  -7.232
  363   1HG2  VAL  44          1HG2      VAL  44   2.922   6.958  -9.981
  364   2HG2  VAL  44          2HG2      VAL  44   3.025   5.197  -9.772
  365   3HG2  VAL  44          3HG2      VAL  44   1.609   6.086  -9.168
  366    H    GLU  45           H        GLU  45   5.780   5.711 -10.476
  367    HA   GLU  45           HA       GLU  45   6.120   8.505 -11.273
  368   1HB   GLU  45          2HB       GLU  45   8.455   8.386 -11.792
  369   2HB   GLU  45          3HB       GLU  45   8.222   8.164 -10.065
  370   1HG   GLU  45          2HG       GLU  45   8.743   5.821 -10.209
  371   2HG   GLU  45          3HG       GLU  45   8.590   5.813 -11.969
  372    H    TYR  46           H        TYR  46   6.835   8.750 -13.525
  373    HA   TYR  46           HA       TYR  46   5.964   6.457 -15.193
  374   1HB   TYR  46          2HB       TYR  46   4.146   8.126 -14.457
  375   2HB   TYR  46          3HB       TYR  46   4.920   9.280 -15.528
  376    HD1  TYR  46           HD1      TYR  46   2.131   7.560 -15.334
  377    HD2  TYR  46           HD2      TYR  46   5.525   7.656 -17.992
  378    HE1  TYR  46           HE1      TYR  46   0.734   6.610 -17.142
  379    HE2  TYR  46           HE2      TYR  46   4.136   6.700 -19.794
  380    HH   TYR  46           HH       TYR  46   2.121   5.835 -20.360
  381    H    THR  47           H        THR  47   7.549   6.089 -16.634
  382    HA   THR  47           HA       THR  47   9.063   8.375 -17.845
  383    HB   THR  47           HB       THR  47  10.561   5.838 -17.135
  384    HG1  THR  47           1HG      THR  47  10.208   7.978 -15.350
  385   1HG2  THR  47          1HG2      THR  47  11.618   7.521 -18.600
  386   2HG2  THR  47          2HG2      THR  47  11.390   8.763 -17.346
  387   3HG2  THR  47          3HG2      THR  47  12.466   7.379 -17.049
  388    H    ASP  48           H        ASP  48   7.518   7.965 -19.566
  389    HA   ASP  48           HA       ASP  48   6.574   7.047 -21.383
  390   1HB   ASP  48          2HB       ASP  48   8.985   6.897 -22.140
  391   2HB   ASP  48          3HB       ASP  48   8.939   5.185 -21.703
  392    H    GLU  49           H        GLU  49   7.838   4.616 -19.184
  393    HA   GLU  49           HA       GLU  49   5.456   2.871 -19.323
  394   1HB   GLU  49          2HB       GLU  49   6.830   1.369 -18.033
  395   2HB   GLU  49          3HB       GLU  49   7.922   2.070 -19.233
  396   1HG   GLU  49          2HG       GLU  49   8.470   3.834 -17.347
  397   2HG   GLU  49          3HG       GLU  49   7.686   2.695 -16.264
  398    H    LEU  50           H        LEU  50   4.347   2.402 -17.212
  399    HA   LEU  50           HA       LEU  50   4.554   4.572 -15.149
  400   1HB   LEU  50          2HB       LEU  50   2.306   4.420 -16.029
  401   2HB   LEU  50          3HB       LEU  50   2.325   2.663 -15.937
  402    HG   LEU  50           HG       LEU  50   2.344   2.755 -13.462
  403   1HD1  LEU  50          1HD1      LEU  50   3.413   4.969 -13.092
  404   2HD1  LEU  50          2HD1      LEU  50   1.983   5.763 -13.782
  405   3HD1  LEU  50          3HD1      LEU  50   1.862   4.837 -12.270
  406   1HD2  LEU  50          1HD2      LEU  50   0.098   4.364 -14.726
  407   2HD2  LEU  50          2HD2      LEU  50   0.226   2.591 -14.692
  408   3HD2  LEU  50          3HD2      LEU  50   0.038   3.489 -13.178
  409    H    LYS  51           H        LYS  51   5.536   3.974 -13.236
  410    HA   LYS  51           HA       LYS  51   5.072   1.203 -12.364
  411   1HB   LYS  51          2HB       LYS  51   7.243   0.724 -11.596
  412   2HB   LYS  51          3HB       LYS  51   7.281   0.990 -13.322
  413   1HG   LYS  51          2HG       LYS  51   8.097   3.186 -11.361
  414   2HG   LYS  51          3HG       LYS  51   9.175   1.864 -11.793
  415   1HD   LYS  51          2HD       LYS  51   8.780   2.490 -14.249
  416   2HD   LYS  51          3HD       LYS  51   8.079   4.013 -13.639
  417   1HE   LYS  51          2HE       LYS  51  10.202   4.382 -12.345
  418   2HE   LYS  51          3HE       LYS  51  10.843   2.877 -13.002
  419   1HZ   LYS  51          1HZ       LYS  51  11.643   4.754 -14.223
  420   2HZ   LYS  51          2HZ       LYS  51  10.672   3.839 -15.232
  421   3HZ   LYS  51          3HZ       LYS  51  10.193   5.319 -14.563
  422    H    VAL  52           H        VAL  52   5.221   0.776 -10.231
  423    HA   VAL  52           HA       VAL  52   5.128   2.994  -8.325
  424    HB   VAL  52           HB       VAL  52   2.832   2.822  -8.987
  425   1HG1  VAL  52          1HG1      VAL  52   2.816   0.546  -9.970
  426   2HG1  VAL  52          2HG1      VAL  52   2.878  -0.149  -8.331
  427   3HG1  VAL  52          3HG1      VAL  52   1.491   0.823  -8.861
  428   1HG2  VAL  52          1HG2      VAL  52   3.142   1.398  -6.316
  429   2HG2  VAL  52          2HG2      VAL  52   3.264   3.151  -6.576
  430   3HG2  VAL  52          3HG2      VAL  52   1.733   2.318  -6.882
  431    H    ASP  53           H        ASP  53   6.005   2.465  -6.454
  432    HA   ASP  53           HA       ASP  53   7.022  -0.317  -6.056
  433   1HB   ASP  53          2HB       ASP  53   8.486   2.355  -5.947
  434   2HB   ASP  53          3HB       ASP  53   9.144   0.832  -5.345
  435    H    ILE  54           H        ILE  54   6.884  -1.053  -4.022
  436    HA   ILE  54           HA       ILE  54   5.838   0.751  -1.895
  437    HB   ILE  54           HB       ILE  54   4.734  -1.978  -2.676
  438   1HG1  ILE  54          2HG1      ILE  54   3.554   0.802  -3.073
  439   2HG1  ILE  54          3HG1      ILE  54   4.002  -0.353  -4.328
  440   1HG2  ILE  54          1HG2      ILE  54   4.640  -1.490  -0.217
  441   2HG2  ILE  54          2HG2      ILE  54   3.732  -0.012  -0.567
  442   3HG2  ILE  54          3HG2      ILE  54   3.055  -1.610  -0.964
  443   1HD1  ILE  54          1HD1      ILE  54   2.230  -1.921  -3.448
  444   2HD1  ILE  54          2HD1      ILE  54   1.682  -0.612  -2.369
  445   3HD1  ILE  54          3HD1      ILE  54   1.621  -0.402  -4.132
  446    H    SER  55           H        SER  55   6.876   0.514  -0.034
  447    HA   SER  55           HA       SER  55   7.981  -2.165   0.702
  448   1HB   SER  55          2HB       SER  55   9.811  -0.435   0.162
  449   2HB   SER  55          3HB       SER  55   9.287   0.416   1.630
  450    HG   SER  55           HG       SER  55   9.889  -1.376   2.919
  451    H    ALA  56           H        ALA  56   7.354  -2.805   2.714
  452    HA   ALA  56           HA       ALA  56   6.253  -0.812   4.566
  453   1HB   ALA  56          1HB       ALA  56   4.272  -1.774   3.473
  454   2HB   ALA  56          2HB       ALA  56   4.828  -3.414   3.888
  455   3HB   ALA  56          3HB       ALA  56   4.371  -2.274   5.176
  456    H    GLU  57           H        GLU  57   6.957  -1.082   6.532
  457    HA   GLU  57           HA       GLU  57   8.463  -3.551   7.288
  458   1HB   GLU  57          2HB       GLU  57   9.036  -0.643   7.956
  459   2HB   GLU  57          3HB       GLU  57   9.906  -2.028   8.567
  460   1HG   GLU  57          2HG       GLU  57  11.289  -1.143   6.962
  461   2HG   GLU  57          3HG       GLU  57  10.617  -2.593   6.237
  462    H    LEU  58           H        LEU  58   8.006  -4.344   9.264
  463    HA   LEU  58           HA       LEU  58   5.963  -2.967  10.940
  464   1HB   LEU  58          2HB       LEU  58   4.907  -4.656   9.550
  465   2HB   LEU  58          3HB       LEU  58   6.142  -5.843   9.972
  466    HG   LEU  58           HG       LEU  58   5.346  -5.893  12.308
  467   1HD1  LEU  58          1HD1      LEU  58   4.427  -3.641  12.596
  468   2HD1  LEU  58          2HD1      LEU  58   3.206  -3.956  11.341
  469   3HD1  LEU  58          3HD1      LEU  58   3.165  -4.847  12.876
  470   1HD2  LEU  58          1HD2      LEU  58   3.129  -6.279  10.260
  471   2HD2  LEU  58          2HD2      LEU  58   4.435  -7.431  10.624
  472   3HD2  LEU  58          3HD2      LEU  58   3.231  -7.042  11.865
  473    H    TYR  59           H        TYR  59   7.063  -2.317  12.688
  474    HA   TYR  59           HA       TYR  59   9.208  -4.091  13.744
  475   1HB   TYR  59          2HB       TYR  59   8.613  -1.224  14.496
  476   2HB   TYR  59          3HB       TYR  59  10.059  -2.156  14.832
  477    HD1  TYR  59           HD1      TYR  59  11.673  -2.709  12.855
  478    HD2  TYR  59           HD2      TYR  59   8.294  -0.058  12.422
  479    HE1  TYR  59           HE1      TYR  59  12.783  -1.566  10.942
  480    HE2  TYR  59           HE2      TYR  59   9.385   1.043  10.541
  481    HH   TYR  59           HH       TYR  59  11.368   1.424   9.478
  482    H    LEU  60           H        LEU  60   8.290  -5.566  15.012
  483    HA   LEU  60           HA       LEU  60   6.017  -4.980  16.776
  484   1HB   LEU  60          2HB       LEU  60   7.607  -7.472  16.054
  485   2HB   LEU  60          3HB       LEU  60   6.417  -7.488  17.352
  486    HG   LEU  60           HG       LEU  60   5.715  -6.600  14.527
  487   1HD1  LEU  60          1HD1      LEU  60   6.492  -8.943  14.481
  488   2HD1  LEU  60          2HD1      LEU  60   5.358  -9.348  15.790
  489   3HD1  LEU  60          3HD1      LEU  60   4.747  -8.822  14.202
  490   1HD2  LEU  60          1HD2      LEU  60   3.990  -7.564  16.857
  491   2HD2  LEU  60          2HD2      LEU  60   4.163  -5.881  16.362
  492   3HD2  LEU  60          3HD2      LEU  60   3.416  -7.037  15.252
  493    H    ASP  61           H        ASP  61   5.975  -5.320  18.985
  494    HA   ASP  61           HA       ASP  61   8.297  -4.475  20.496
  495   1HB   ASP  61          2HB       ASP  61   5.970  -4.084  21.235
  496   2HB   ASP  61          3HB       ASP  61   5.728  -5.829  21.406
  497    H    GLU  62           H        GLU  62   9.523  -5.642  21.973
  498    HA   GLU  62           HA       GLU  62  10.498  -8.218  20.992
  499   1HB   GLU  62          2HB       GLU  62  11.342  -6.503  23.368
  500   2HB   GLU  62          3HB       GLU  62  12.186  -7.957  22.799
  501   1HG   GLU  62          2HG       GLU  62  12.476  -6.850  20.554
  502   2HG   GLU  62          3HG       GLU  62  11.838  -5.362  21.249
  503    H    LEU  63           H        LEU  63   7.798  -7.893  22.346
  504    HA   LEU  63           HA       LEU  63   7.903 -10.245  24.157
  505   1HB   LEU  63          2HB       LEU  63   7.384  -7.569  24.903
  506   2HB   LEU  63          3HB       LEU  63   5.808  -8.306  24.806
  507    HG   LEU  63           HG       LEU  63   6.694  -8.420  27.037
  508   1HD1  LEU  63          1HD1      LEU  63   5.312 -10.335  26.316
  509   2HD1  LEU  63          2HD1      LEU  63   6.783 -11.234  25.900
  510   3HD1  LEU  63          3HD1      LEU  63   6.474 -10.768  27.586
  511   1HD2  LEU  63          1HD2      LEU  63   9.041 -10.061  26.022
  512   2HD2  LEU  63          2HD2      LEU  63   9.106  -8.356  26.499
  513   3HD2  LEU  63          3HD2      LEU  63   8.699  -9.597  27.700
  514    H    SER  64           H        SER  64   6.904  -9.275  21.201
  515    HA   SER  64           HA       SER  64   4.306 -10.763  21.308
  516   1HB   SER  64          2HB       SER  64   4.348  -8.295  20.568
  517   2HB   SER  64          3HB       SER  64   5.134  -8.895  19.088
  518    HG   SER  64           HG       SER  64   2.499  -9.243  20.108
  519    H    ASP  65           H        ASP  65   3.807 -11.592  18.912
  520    HA   ASP  65           HA       ASP  65   5.929 -13.013  17.613
  521   1HB   ASP  65          2HB       ASP  65   5.736 -14.341  19.731
  522   2HB   ASP  65          3HB       ASP  65   4.035 -14.641  19.370
  523    H    ALA  66           H        ALA  66   5.214 -12.797  15.670
  524    HA   ALA  66           HA       ALA  66   2.394 -13.303  14.875
  525   1HB   ALA  66          1HB       ALA  66   2.954 -10.869  15.031
  526   2HB   ALA  66          2HB       ALA  66   4.232 -11.120  13.815
  527   3HB   ALA  66          3HB       ALA  66   2.529 -11.370  13.392
  528    H    ASP  67           H        ASP  67   2.492 -13.169  12.157
  529    HA   ASP  67           HA       ASP  67   3.706 -15.743  11.667
  530   1HB   ASP  67          2HB       ASP  67   2.240 -13.990   9.652
  531   2HB   ASP  67          3HB       ASP  67   2.532 -15.711   9.545
  532    HA   PRO  68           HA       PRO  68   7.395 -14.217   9.626
  533   1HB   PRO  68          2HB       PRO  68   8.374 -16.488   8.470
  534   2HB   PRO  68          3HB       PRO  68   8.223 -16.286  10.235
  535   1HG   PRO  68          2HG       PRO  68   6.238 -17.627   8.366
  536   2HG   PRO  68          3HG       PRO  68   6.972 -18.300   9.862
  537   1HD   PRO  68          2HD       PRO  68   4.531 -17.107   9.892
  538   2HD   PRO  68          3HD       PRO  68   5.682 -16.887  11.244
  539    H    GLY  69           H        GLY  69   5.140 -13.457   8.322
  540   1HA   GLY  69          2HA       GLY  69   6.062 -12.512   5.854
  541   2HA   GLY  69          3HA       GLY  69   4.998 -13.871   5.480
  542    H    ILE  70           H        ILE  70   4.255 -11.951   8.367
  543    HA   ILE  70           HA       ILE  70   1.598 -11.711   7.496
  544    HB   ILE  70           HB       ILE  70   2.718 -11.855   9.851
  545   1HG1  ILE  70          2HG1      ILE  70   0.275 -10.107   9.610
  546   2HG1  ILE  70          3HG1      ILE  70   0.282 -11.836   9.235
  547   1HG2  ILE  70          1HG2      ILE  70   3.943  -9.675   9.699
  548   2HG2  ILE  70          2HG2      ILE  70   2.363  -8.844   9.797
  549   3HG2  ILE  70          3HG2      ILE  70   2.934  -9.845  11.137
  550   1HD1  ILE  70          1HD1      ILE  70   1.092 -12.346  11.526
  551   2HD1  ILE  70          2HD1      ILE  70   0.958 -10.629  11.930
  552   3HD1  ILE  70          3HD1      ILE  70  -0.485 -11.574  11.527
  553    H    VAL  71           H        VAL  71   4.198  -9.407   7.189
  554    HA   VAL  71           HA       VAL  71   2.391  -7.230   6.376
  555    HB   VAL  71           HB       VAL  71   4.154  -6.564   7.740
  556   1HG1  VAL  71          1HG1      VAL  71   5.860  -8.305   7.404
  557   2HG1  VAL  71          2HG1      VAL  71   6.147  -7.733   5.745
  558   3HG1  VAL  71          3HG1      VAL  71   6.561  -6.708   7.129
  559   1HG2  VAL  71          1HG2      VAL  71   4.936  -5.644   4.957
  560   2HG2  VAL  71          2HG2      VAL  71   3.515  -5.056   5.843
  561   3HG2  VAL  71          3HG2      VAL  71   5.146  -4.776   6.486
  562    H    ASP  72           H        ASP  72   4.687  -9.552   4.840
  563    HA   ASP  72           HA       ASP  72   4.652  -8.577   2.246
  564   1HB   ASP  72          2HB       ASP  72   4.474 -11.507   3.052
  565   2HB   ASP  72          3HB       ASP  72   5.198 -10.834   1.597
  566    H    GLU  73           H        GLU  73   2.181 -10.625   3.860
  567    HA   GLU  73           HA       GLU  73   0.348 -10.725   1.648
  568   1HB   GLU  73          2HB       GLU  73  -0.205 -10.824   4.643
  569   2HB   GLU  73          3HB       GLU  73  -1.369 -11.186   3.361
  570   1HG   GLU  73          2HG       GLU  73   0.155 -13.013   2.548
  571   2HG   GLU  73          3HG       GLU  73   1.149 -12.762   3.989
  572    H    ALA  74           H        ALA  74   0.921  -8.113   4.075
  573    HA   ALA  74           HA       ALA  74  -1.474  -6.629   3.361
  574   1HB   ALA  74          1HB       ALA  74  -0.045  -6.327   5.491
  575   2HB   ALA  74          2HB       ALA  74   1.121  -5.468   4.461
  576   3HB   ALA  74          3HB       ALA  74  -0.516  -4.847   4.629
  577    H    VAL  75           H        VAL  75   1.950  -6.635   2.264
  578    HA   VAL  75           HA       VAL  75   1.589  -4.464   0.408
  579    HB   VAL  75           HB       VAL  75   3.702  -6.593  -0.023
  580   1HG1  VAL  75          1HG1      VAL  75   3.299  -4.565  -1.577
  581   2HG1  VAL  75          2HG1      VAL  75   3.790  -3.573  -0.207
  582   3HG1  VAL  75          3HG1      VAL  75   4.940  -4.721  -0.915
  583   1HG2  VAL  75          1HG2      VAL  75   3.610  -4.494   2.181
  584   2HG2  VAL  75          2HG2      VAL  75   4.138  -6.192   2.261
  585   3HG2  VAL  75          3HG2      VAL  75   5.158  -5.015   1.467
  586    H    ASP  76           H        ASP  76   1.552  -8.043  -0.124
  587    HA   ASP  76           HA       ASP  76   0.749  -8.056  -2.829
  588   1HB   ASP  76          2HB       ASP  76   1.505  -9.980  -1.424
  589   2HB   ASP  76          3HB       ASP  76  -0.058  -9.969  -0.610
  590    H    ALA  77           H        ALA  77  -1.343  -7.784   0.121
  591    HA   ALA  77           HA       ALA  77  -3.805  -7.618  -1.334
  592   1HB   ALA  77          1HB       ALA  77  -3.691  -8.040   1.085
  593   2HB   ALA  77          2HB       ALA  77  -3.062  -6.400   1.370
  594   3HB   ALA  77          3HB       ALA  77  -4.704  -6.633   0.735
  595    H    ALA  78           H        ALA  78  -1.483  -5.000  -0.374
  596    HA   ALA  78           HA       ALA  78  -2.987  -2.883  -1.568
  597   1HB   ALA  78          1HB       ALA  78  -1.120  -2.592   0.035
  598   2HB   ALA  78          2HB       ALA  78   0.045  -3.059  -1.218
  599   3HB   ALA  78          3HB       ALA  78  -0.922  -1.602  -1.429
  600    H    TYR  79           H        TYR  79  -0.419  -4.992  -3.014
  601    HA   TYR  79           HA       TYR  79  -0.469  -3.758  -5.584
  602   1HB   TYR  79          2HB       TYR  79   0.166  -6.598  -4.688
  603   2HB   TYR  79          3HB       TYR  79   0.340  -6.066  -6.350
  604    HD1  TYR  79           HD1      TYR  79   1.699  -3.758  -6.626
  605    HD2  TYR  79           HD2      TYR  79   2.187  -6.621  -3.416
  606    HE1  TYR  79           HE1      TYR  79   4.053  -3.026  -6.348
  607    HE2  TYR  79           HE2      TYR  79   4.579  -5.946  -3.219
  608    HH   TYR  79           HH       TYR  79   6.037  -3.419  -5.267
  609    H    ARG  80           H        ARG  80  -2.399  -6.588  -4.390
  610    HA   ARG  80           HA       ARG  80  -3.839  -6.842  -6.900
  611   1HB   ARG  80          2HB       ARG  80  -4.470  -7.907  -4.123
  612   2HB   ARG  80          3HB       ARG  80  -5.348  -8.338  -5.607
  613   1HG   ARG  80          2HG       ARG  80  -3.201  -9.183  -6.604
  614   2HG   ARG  80          3HG       ARG  80  -2.382  -8.829  -5.080
  615   1HD   ARG  80          2HD       ARG  80  -4.298 -10.314  -4.030
  616   2HD   ARG  80          3HD       ARG  80  -4.468 -10.922  -5.684
  617    HE   ARG  80           HE       ARG  80  -1.785 -10.866  -4.323
  618   1HH1  ARG  80          1HH2      ARG  80  -4.138 -12.866  -5.984
  619   2HH1  ARG  80          2HH2      ARG  80  -3.275 -14.341  -5.619
  620   1HH2  ARG  80          1HH1      ARG  80  -0.926 -12.727  -3.624
  621   2HH2  ARG  80          2HH1      ARG  80  -1.387 -14.254  -4.365
  622    H    SER  81           H        SER  81  -4.575  -5.040  -3.874
  623    HA   SER  81           HA       SER  81  -7.152  -4.180  -4.830
  624   1HB   SER  81          2HB       SER  81  -6.448  -4.028  -2.435
  625   2HB   SER  81          3HB       SER  81  -5.359  -2.691  -2.892
  626    HG   SER  81           HG       SER  81  -7.435  -1.914  -4.005
  627    H    LEU  82           H        LEU  82  -3.848  -2.977  -5.518
  628    HA   LEU  82           HA       LEU  82  -4.848  -0.633  -6.892
  629   1HB   LEU  82          2HB       LEU  82  -2.485  -1.040  -5.973
  630   2HB   LEU  82          3HB       LEU  82  -2.204  -2.059  -7.367
  631    HG   LEU  82           HG       LEU  82  -2.668  -0.137  -8.882
  632   1HD1  LEU  82          1HD1      LEU  82  -4.164   1.279  -7.555
  633   2HD1  LEU  82          2HD1      LEU  82  -2.921   1.478  -6.302
  634   3HD1  LEU  82          3HD1      LEU  82  -2.701   2.177  -7.921
  635   1HD2  LEU  82          1HD2      LEU  82  -0.582   0.347  -6.720
  636   2HD2  LEU  82          2HD2      LEU  82  -0.387  -0.606  -8.204
  637   3HD2  LEU  82          3HD2      LEU  82  -0.633   1.150  -8.306
  638    H    GLU  83           H        GLU  83  -3.871  -3.934  -7.903
  639    HA   GLU  83           HA       GLU  83  -4.263  -3.656 -10.682
  640   1HB   GLU  83          2HB       GLU  83  -3.189  -5.548  -9.475
  641   2HB   GLU  83          3HB       GLU  83  -4.774  -6.084  -8.913
  642   1HG   GLU  83          2HG       GLU  83  -5.474  -6.548 -11.212
  643   2HG   GLU  83          3HG       GLU  83  -3.967  -5.856 -11.837
  644    H    SER  84           H        SER  84  -6.729  -4.355  -8.124
  645    HA   SER  84           HA       SER  84  -8.900  -4.254 -10.085
  646   1HB   SER  84          2HB       SER  84 -10.380  -4.400  -8.177
  647   2HB   SER  84          3HB       SER  84  -9.085  -5.605  -8.063
  648    HG   SER  84           HG       SER  84  -9.380  -4.567  -6.080
  649    H    PHE  85           H        PHE  85  -7.516  -1.779  -7.791
  650    HA   PHE  85           HA       PHE  85  -9.446   0.235  -8.295
  651   1HB   PHE  85          2HB       PHE  85  -7.671   0.328  -6.575
  652   2HB   PHE  85          3HB       PHE  85  -6.457   0.517  -7.829
  653    HD1  PHE  85           HD1      PHE  85  -8.693   2.209  -5.585
  654    HD2  PHE  85           HD2      PHE  85  -6.543   2.654  -9.295
  655    HE1  PHE  85           HE1      PHE  85  -8.816   4.679  -5.371
  656    HE2  PHE  85           HE2      PHE  85  -6.667   5.108  -9.079
  657    HZ   PHE  85           HZ       PHE  85  -7.807   6.138  -7.109
  658    H    LEU  86           H        LEU  86  -6.650  -0.708 -10.297
  659    HA   LEU  86           HA       LEU  86  -6.942   1.320 -12.277
  660   1HB   LEU  86          2HB       LEU  86  -5.639  -1.409 -12.247
  661   2HB   LEU  86          3HB       LEU  86  -5.574  -0.367 -13.642
  662    HG   LEU  86           HG       LEU  86  -3.722  -0.476 -11.590
  663   1HD1  LEU  86          1HD1      LEU  86  -3.328   0.293 -13.881
  664   2HD1  LEU  86          2HD1      LEU  86  -4.125   1.832 -13.516
  665   3HD1  LEU  86          3HD1      LEU  86  -2.618   1.388 -12.696
  666   1HD2  LEU  86          1HD2      LEU  86  -5.149   2.194 -11.200
  667   2HD2  LEU  86          2HD2      LEU  86  -4.950   0.923  -9.987
  668   3HD2  LEU  86          3HD2      LEU  86  -3.542   1.767 -10.594
  669    H    ASP  87           H        ASP  87  -9.379  -0.718 -11.581
  670    HA   ASP  87           HA       ASP  87 -10.575  -1.572 -13.965
  671   1HB   ASP  87          2HB       ASP  87 -11.553  -2.036 -11.855
  672   2HB   ASP  87          3HB       ASP  87 -11.548  -0.346 -11.372
  673    H    GLY  88           H        GLY  88  -9.792   1.721 -13.091
  674   1HA   GLY  88          2HA       GLY  88 -11.486   2.791 -15.318
  675   2HA   GLY  88          3HA       GLY  88 -10.694   3.750 -14.068
  676    H    PHE  89           H        PHE  89  -8.519   1.420 -15.227
  677    HA   PHE  89           HA       PHE  89  -7.310   3.299 -17.224
  678   1HB   PHE  89          2HB       PHE  89  -6.064   2.181 -14.694
  679   2HB   PHE  89          3HB       PHE  89  -5.145   2.984 -15.954
  680    HD1  PHE  89           HD1      PHE  89  -5.571   3.566 -12.866
  681    HD2  PHE  89           HD2      PHE  89  -7.010   5.367 -16.511
  682    HE1  PHE  89           HE1      PHE  89  -5.599   5.790 -11.766
  683    HE2  PHE  89           HE2      PHE  89  -7.131   7.563 -15.373
  684    HZ   PHE  89           HZ       PHE  89  -6.398   7.788 -13.015
  685    H    ARG  90           H        ARG  90  -7.634  -0.087 -16.186
  686    HA   ARG  90           HA       ARG  90  -5.797  -0.860 -18.438
  687   1HB   ARG  90          2HB       ARG  90  -5.897  -1.812 -15.556
  688   2HB   ARG  90          3HB       ARG  90  -5.228  -2.828 -16.829
  689   1HG   ARG  90          2HG       ARG  90  -3.689  -0.957 -17.490
  690   2HG   ARG  90          3HG       ARG  90  -4.211  -0.076 -16.045
  691   1HD   ARG  90          2HD       ARG  90  -3.424  -1.902 -14.603
  692   2HD   ARG  90          3HD       ARG  90  -3.069  -2.916 -15.995
  693    HE   ARG  90           HE       ARG  90  -1.429  -0.763 -14.918
  694   1HH1  ARG  90          1HH2      ARG  90  -2.019  -2.637 -17.819
  695   2HH1  ARG  90          2HH2      ARG  90  -0.417  -2.377 -18.453
  696   1HH2  ARG  90          1HH1      ARG  90   0.636  -0.459 -15.767
  697   2HH2  ARG  90          2HH1      ARG  90   1.047  -1.152 -17.304
  698    H    GLU  91           H        GLU  91  -9.020  -1.265 -17.554
  699    HA   GLU  91           HA       GLU  91  -9.209  -3.610 -19.332
  700   1HB   GLU  91          2HB       GLU  91  -9.025  -4.392 -16.910
  701   2HB   GLU  91          3HB       GLU  91 -10.578  -3.605 -16.611
  702   1HG   GLU  91          2HG       GLU  91 -11.675  -5.076 -18.235
  703   2HG   GLU  91          3HG       GLU  91 -10.118  -5.719 -18.768
  Start of MODEL    5
    1    H    MET   1           H1       MET   1 -13.480   4.354 -18.741
    2    HA   MET   1           HA       MET   1 -11.492   4.292 -17.449
    3   1HB   MET   1          2HB       MET   1  -9.785   5.940 -17.632
    4   2HB   MET   1          3HB       MET   1 -10.033   5.288 -19.242
    5   1HG   MET   1          2HG       MET   1 -11.086   7.950 -18.182
    6   2HG   MET   1          3HG       MET   1  -9.694   7.729 -19.235
    7   1HE   MET   1          1HE       MET   1 -12.221   9.729 -19.667
    8   2HE   MET   1          2HE       MET   1 -10.769   9.691 -20.695
    9   3HE   MET   1          3HE       MET   1 -12.384   9.597 -21.432
   10    H    SER   2           H        SER   2 -11.303   5.590 -15.443
   11    HA   SER   2           HA       SER   2 -13.242   7.857 -15.223
   12   1HB   SER   2          2HB       SER   2 -14.525   5.811 -14.715
   13   2HB   SER   2          3HB       SER   2 -13.381   5.421 -13.419
   14    HG   SER   2           HG       SER   2 -13.883   7.643 -12.677
   15    H    LEU   3           H        LEU   3 -10.158   7.205 -14.720
   16    HA   LEU   3           HA       LEU   3  -9.789   8.476 -12.102
   17   1HB   LEU   3          2HB       LEU   3  -7.428   8.302 -12.572
   18   2HB   LEU   3          3HB       LEU   3  -8.203   6.747 -12.779
   19    HG   LEU   3           HG       LEU   3  -7.805   8.468 -15.244
   20   1HD1  LEU   3          1HD1      LEU   3  -5.665   8.603 -14.102
   21   2HD1  LEU   3          2HD1      LEU   3  -5.616   6.833 -13.915
   22   3HD1  LEU   3          3HD1      LEU   3  -5.532   7.573 -15.535
   23   1HD2  LEU   3          1HD2      LEU   3  -7.538   5.477 -14.743
   24   2HD2  LEU   3          2HD2      LEU   3  -8.942   6.260 -15.476
   25   3HD2  LEU   3          3HD2      LEU   3  -7.395   6.299 -16.315
   26    H    ARG   4           H        ARG   4  -7.861  10.359 -12.399
   27    HA   ARG   4           HA       ARG   4  -8.852  12.316 -14.432
   28   1HB   ARG   4          2HB       ARG   4  -7.904  12.830 -11.579
   29   2HB   ARG   4          3HB       ARG   4  -8.229  14.094 -12.755
   30   1HG   ARG   4          2HG       ARG   4 -10.303  12.133 -11.684
   31   2HG   ARG   4          3HG       ARG   4 -10.070  13.806 -11.168
   32   1HD   ARG   4          2HD       ARG   4 -10.526  14.567 -13.501
   33   2HD   ARG   4          3HD       ARG   4 -10.899  12.888 -13.955
   34    HE   ARG   4           HE       ARG   4 -12.545  13.265 -11.835
   35   1HH1  ARG   4          1HH2      ARG   4 -12.114  15.149 -14.757
   36   2HH1  ARG   4          2HH2      ARG   4 -13.747  15.759 -14.745
   37   1HH2  ARG   4          1HH1      ARG   4 -14.646  14.064 -11.865
   38   2HH2  ARG   4          2HH1      ARG   4 -15.152  15.136 -13.134
   39    H    LYS   5           H        LYS   5  -6.842  14.189 -14.096
   40    HA   LYS   5           HA       LYS   5  -4.760  13.081 -15.788
   41   1HB   LYS   5          2HB       LYS   5  -5.195  15.734 -14.360
   42   2HB   LYS   5          3HB       LYS   5  -3.663  15.381 -15.143
   43   1HG   LYS   5          2HG       LYS   5  -6.319  15.251 -16.632
   44   2HG   LYS   5          3HG       LYS   5  -5.328  16.713 -16.510
   45   1HD   LYS   5          2HD       LYS   5  -3.406  15.496 -17.532
   46   2HD   LYS   5          3HD       LYS   5  -4.441  14.071 -17.757
   47   1HE   LYS   5          2HE       LYS   5  -5.971  15.382 -19.176
   48   2HE   LYS   5          3HE       LYS   5  -4.999  16.838 -18.908
   49   1HZ   LYS   5          1HZ       LYS   5  -3.144  15.732 -19.996
   50   2HZ   LYS   5          2HZ       LYS   5  -4.038  14.376 -20.247
   51   3HZ   LYS   5          3HZ       LYS   5  -4.439  15.777 -21.008
   52    H    LEU   6           H        LEU   6  -3.233  11.736 -15.076
   53    HA   LEU   6           HA       LEU   6  -2.652  11.485 -12.262
   54   1HB   LEU   6          2HB       LEU   6  -1.282  10.305 -14.713
   55   2HB   LEU   6          3HB       LEU   6  -0.888   9.894 -13.051
   56    HG   LEU   6           HG       LEU   6  -3.524   9.374 -14.460
   57   1HD1  LEU   6          1HD1      LEU   6  -1.665   7.854 -15.049
   58   2HD1  LEU   6          2HD1      LEU   6  -1.425   7.481 -13.325
   59   3HD1  LEU   6          3HD1      LEU   6  -2.934   7.014 -14.139
   60   1HD2  LEU   6          1HD2      LEU   6  -2.747   8.912 -11.544
   61   2HD2  LEU   6          2HD2      LEU   6  -4.144   9.822 -12.182
   62   3HD2  LEU   6          3HD2      LEU   6  -4.094   8.070 -12.330
   63    H    THR   7           H        THR   7  -1.780  13.048 -11.277
   64    HA   THR   7           HA       THR   7   0.933  13.980 -11.776
   65    HB   THR   7           HB       THR   7  -0.874  15.431 -13.020
   66    HG1  THR   7           1HG      THR   7   1.145  16.773 -11.456
   67   1HG2  THR   7          1HG2      THR   7  -2.338  15.850 -11.051
   68   2HG2  THR   7          2HG2      THR   7  -1.030  16.838 -10.343
   69   3HG2  THR   7          3HG2      THR   7  -1.761  17.307 -11.883
   70    H    GLU   8           H        GLU   8   1.095  15.794  -9.751
   71    HA   GLU   8           HA       GLU   8   1.553  14.312  -7.532
   72   1HB   GLU   8          2HB       GLU   8   0.694  17.222  -7.388
   73   2HB   GLU   8          3HB       GLU   8   1.745  16.343  -6.292
   74   1HG   GLU   8          2HG       GLU   8   3.340  17.454  -7.466
   75   2HG   GLU   8          3HG       GLU   8   3.250  16.007  -8.473
   76    H    GLY   9           H        GLY   9  -1.605  15.926  -8.127
   77   1HA   GLY   9          2HA       GLY   9  -2.752  15.361  -5.560
   78   2HA   GLY   9          3HA       GLY   9  -3.634  15.698  -7.060
   79    H    ASP  10           H        ASP  10  -3.346  13.658  -8.708
   80    HA   ASP  10           HA       ASP  10  -4.819  11.486  -7.570
   81   1HB   ASP  10          2HB       ASP  10  -3.283  11.843 -10.169
   82   2HB   ASP  10          3HB       ASP  10  -4.068  10.323  -9.752
   83    H    LEU  11           H        LEU  11  -1.328  11.881  -8.283
   84    HA   LEU  11           HA       LEU  11  -0.552   9.221  -7.504
   85   1HB   LEU  11          2HB       LEU  11   0.885  11.839  -7.913
   86   2HB   LEU  11          3HB       LEU  11   1.737  10.476  -7.230
   87    HG   LEU  11           HG       LEU  11   1.549   9.172  -9.149
   88   1HD1  LEU  11          1HD1      LEU  11  -0.747   9.428  -9.875
   89   2HD1  LEU  11          2HD1      LEU  11  -0.400  11.072 -10.449
   90   3HD1  LEU  11          3HD1      LEU  11   0.383   9.669 -11.209
   91   1HD2  LEU  11          1HD2      LEU  11   1.988  12.009 -10.135
   92   2HD2  LEU  11          2HD2      LEU  11   3.190  11.004  -9.293
   93   3HD2  LEU  11          3HD2      LEU  11   2.598  10.520 -10.891
   94    H    ASP  12           H        ASP  12  -0.622  12.300  -5.543
   95    HA   ASP  12           HA       ASP  12   0.314  10.966  -3.183
   96   1HB   ASP  12          2HB       ASP  12   0.360  13.429  -3.542
   97   2HB   ASP  12          3HB       ASP  12  -1.403  13.464  -3.362
   98    H    GLU  13           H        GLU  13  -3.072  11.536  -4.435
   99    HA   GLU  13           HA       GLU  13  -4.226  10.278  -2.150
  100   1HB   GLU  13          2HB       GLU  13  -5.486  11.715  -3.744
  101   2HB   GLU  13          3HB       GLU  13  -5.480  10.369  -4.893
  102   1HG   GLU  13          2HG       GLU  13  -7.581  10.392  -3.676
  103   2HG   GLU  13          3HG       GLU  13  -6.692   8.954  -3.219
  104    H    ILE  14           H        ILE  14  -3.076   8.823  -5.248
  105    HA   ILE  14           HA       ILE  14  -3.859   6.132  -4.542
  106    HB   ILE  14           HB       ILE  14  -1.806   7.304  -6.425
  107   1HG1  ILE  14          2HG1      ILE  14  -4.334   5.647  -6.917
  108   2HG1  ILE  14          3HG1      ILE  14  -4.325   7.405  -6.878
  109   1HG2  ILE  14          1HG2      ILE  14  -0.839   5.166  -5.685
  110   2HG2  ILE  14          2HG2      ILE  14  -2.381   4.342  -6.007
  111   3HG2  ILE  14          3HG2      ILE  14  -1.415   5.020  -7.337
  112   1HD1  ILE  14          1HD1      ILE  14  -2.697   7.420  -8.790
  113   2HD1  ILE  14          2HD1      ILE  14  -2.902   5.655  -8.917
  114   3HD1  ILE  14          3HD1      ILE  14  -4.283   6.725  -9.171
  115    H    SER  15           H        SER  15  -0.764   7.928  -3.923
  116    HA   SER  15           HA       SER  15   0.518   5.900  -2.415
  117   1HB   SER  15          2HB       SER  15   1.607   7.973  -3.135
  118   2HB   SER  15          3HB       SER  15   0.560   8.922  -2.084
  119    HG   SER  15           HG       SER  15   2.489   8.578  -1.049
  120    H    SER  16           H        SER  16  -1.740   8.425  -1.298
  121    HA   SER  16           HA       SER  16  -1.966   7.747   1.451
  122   1HB   SER  16          2HB       SER  16  -2.956   9.772   0.938
  123   2HB   SER  16          3HB       SER  16  -3.503   9.201  -0.629
  124    HG   SER  16           HG       SER  16  -5.388   9.235   0.174
  125    H    PHE  17           H        PHE  17  -3.906   6.545  -1.352
  126    HA   PHE  17           HA       PHE  17  -5.581   4.878   0.201
  127   1HB   PHE  17          2HB       PHE  17  -6.178   5.573  -2.034
  128   2HB   PHE  17          3HB       PHE  17  -4.744   4.818  -2.721
  129    HD1  PHE  17           HD1      PHE  17  -7.586   3.693  -0.487
  130    HD2  PHE  17           HD2      PHE  17  -5.204   2.911  -3.998
  131    HE1  PHE  17           HE1      PHE  17  -8.826   1.581  -0.869
  132    HE2  PHE  17           HE2      PHE  17  -6.426   0.785  -4.347
  133    HZ   PHE  17           HZ       PHE  17  -8.250   0.122  -2.799
  134    H    LEU  18           H        LEU  18  -2.484   4.009  -1.495
  135    HA   LEU  18           HA       LEU  18  -2.743   1.272  -0.488
  136   1HB   LEU  18          2HB       LEU  18  -0.493   2.621  -2.000
  137   2HB   LEU  18          3HB       LEU  18  -0.418   0.979  -1.371
  138    HG   LEU  18           HG       LEU  18  -1.026   0.591  -3.542
  139   1HD1  LEU  18          1HD1      LEU  18  -2.699  -0.519  -2.030
  140   2HD1  LEU  18          2HD1      LEU  18  -3.824   0.816  -2.361
  141   3HD1  LEU  18          3HD1      LEU  18  -3.278  -0.235  -3.669
  142   1HD2  LEU  18          1HD2      LEU  18  -2.986   2.896  -3.481
  143   2HD2  LEU  18          2HD2      LEU  18  -1.384   2.887  -4.244
  144   3HD2  LEU  18          3HD2      LEU  18  -2.669   1.827  -4.846
  145    H    HIS  19           H        HIS  19  -0.876   4.117   0.658
  146    HA   HIS  19           HA       HIS  19   0.437   2.678   2.766
  147   1HB   HIS  19          2HB       HIS  19   1.002   4.980   2.127
  148   2HB   HIS  19          3HB       HIS  19  -0.577   5.551   2.650
  149    HD1  HIS  19           HD1      HIS  19   0.844   7.199   4.313
  150    HD2  HIS  19           HD2      HIS  19   1.075   3.075   5.083
  151    HE1  HIS  19           HE1      HIS  19   1.793   6.938   6.674
  152    H    ASN  20           H        ASN  20  -2.815   4.344   2.714
  153    HA   ASN  20           HA       ASN  20  -3.590   3.436   5.299
  154   1HB   ASN  20          2HB       ASN  20  -4.749   5.223   4.038
  155   2HB   ASN  20          3HB       ASN  20  -5.348   4.026   2.875
  156   1HD2  ASN  20          2HD2      ASN  20  -7.004   2.570   3.554
  157   2HD2  ASN  20          1HD2      ASN  20  -7.519   2.447   5.225
  158    H    THR  21           H        THR  21  -3.926   1.796   2.101
  159    HA   THR  21           HA       THR  21  -5.481  -0.395   2.994
  160    HB   THR  21           HB       THR  21  -3.400  -0.341   0.781
  161    HG1  THR  21           1HG      THR  21  -5.061   1.157   0.444
  162   1HG2  THR  21          1HG2      THR  21  -3.940  -2.671   1.259
  163   2HG2  THR  21          2HG2      THR  21  -5.678  -2.283   1.278
  164   3HG2  THR  21          3HG2      THR  21  -4.753  -2.165  -0.231
  165    H    ILE  22           H        ILE  22  -1.870  -0.130   2.860
  166    HA   ILE  22           HA       ILE  22  -1.447  -2.735   4.033
  167    HB   ILE  22           HB       ILE  22   0.346  -0.294   3.920
  168   1HG1  ILE  22          2HG1      ILE  22   0.117  -2.775   2.175
  169   2HG1  ILE  22          3HG1      ILE  22  -0.263  -1.119   1.721
  170   1HG2  ILE  22          1HG2      ILE  22   1.046  -1.983   5.718
  171   2HG2  ILE  22          2HG2      ILE  22   1.187  -3.191   4.426
  172   3HG2  ILE  22          3HG2      ILE  22   2.230  -1.775   4.442
  173   1HD1  ILE  22          1HD1      ILE  22   2.170  -0.535   2.092
  174   2HD1  ILE  22          2HD1      ILE  22   2.469  -2.291   2.220
  175   3HD1  ILE  22          3HD1      ILE  22   1.781  -1.638   0.717
  176    H    SER  23           H        SER  23  -1.674   0.562   5.472
  177    HA   SER  23           HA       SER  23  -1.176  -0.185   8.162
  178   1HB   SER  23          2HB       SER  23  -1.260   2.131   7.413
  179   2HB   SER  23          3HB       SER  23  -2.993   1.995   7.061
  180    HG   SER  23           HG       SER  23  -3.395   2.255   9.101
  181    H    ASP  24           H        ASP  24  -4.398   0.031   6.479
  182    HA   ASP  24           HA       ASP  24  -5.880  -1.154   8.604
  183   1HB   ASP  24          2HB       ASP  24  -6.364  -0.874   5.627
  184   2HB   ASP  24          3HB       ASP  24  -7.455  -1.843   6.617
  185    H    PHE  25           H        PHE  25  -4.132  -2.812   5.876
  186    HA   PHE  25           HA       PHE  25  -5.168  -5.391   6.588
  187   1HB   PHE  25          2HB       PHE  25  -3.963  -4.833   4.471
  188   2HB   PHE  25          3HB       PHE  25  -2.466  -4.701   5.367
  189    HD1  PHE  25           HD1      PHE  25  -4.612  -6.908   3.545
  190    HD2  PHE  25           HD2      PHE  25  -1.653  -6.845   6.687
  191    HE1  PHE  25           HE1      PHE  25  -4.216  -9.338   3.236
  192    HE2  PHE  25           HE2      PHE  25  -1.244  -9.261   6.352
  193    HZ   PHE  25           HZ       PHE  25  -2.548 -10.520   4.652
  194    H    ILE  26           H        ILE  26  -2.140  -3.675   7.724
  195    HA   ILE  26           HA       ILE  26  -1.296  -5.812   9.393
  196    HB   ILE  26           HB       ILE  26  -0.709  -2.835   9.259
  197   1HG1  ILE  26          2HG1      ILE  26   0.924  -5.335   8.560
  198   2HG1  ILE  26          3HG1      ILE  26   0.066  -4.334   7.396
  199   1HG2  ILE  26          1HG2      ILE  26  -0.401  -3.505  11.583
  200   2HG2  ILE  26          2HG2      ILE  26   0.576  -4.907  11.077
  201   3HG2  ILE  26          3HG2      ILE  26   1.155  -3.239  10.827
  202   1HD1  ILE  26          1HD1      ILE  26   2.354  -3.714   7.275
  203   2HD1  ILE  26          2HD1      ILE  26   1.517  -2.378   8.093
  204   3HD1  ILE  26          3HD1      ILE  26   2.497  -3.538   9.025
  205    H    LEU  27           H        LEU  27  -3.198  -2.845  10.161
  206    HA   LEU  27           HA       LEU  27  -3.688  -3.543  12.907
  207   1HB   LEU  27          2HB       LEU  27  -4.852  -1.583  10.913
  208   2HB   LEU  27          3HB       LEU  27  -5.708  -1.873  12.401
  209    HG   LEU  27           HG       LEU  27  -3.921  -1.153  13.774
  210   1HD1  LEU  27          1HD1      LEU  27  -1.913  -1.896  12.580
  211   2HD1  LEU  27          2HD1      LEU  27  -2.214  -0.701  11.293
  212   3HD1  LEU  27          3HD1      LEU  27  -1.820  -0.173  12.938
  213   1HD2  LEU  27          1HD2      LEU  27  -4.283   0.782  11.454
  214   2HD2  LEU  27          2HD2      LEU  27  -5.419   0.555  12.805
  215   3HD2  LEU  27          3HD2      LEU  27  -3.800   1.208  13.109
  216    H    LYS  28           H        LYS  28  -5.026  -5.036  10.118
  217    HA   LYS  28           HA       LYS  28  -7.095  -6.320  11.854
  218   1HB   LYS  28          2HB       LYS  28  -7.112  -5.705   8.885
  219   2HB   LYS  28          3HB       LYS  28  -8.167  -6.931   9.589
  220   1HG   LYS  28          2HG       LYS  28  -9.224  -5.403  11.077
  221   2HG   LYS  28          3HG       LYS  28  -8.091  -4.106  10.705
  222   1HD   LYS  28          2HD       LYS  28  -9.744  -5.277   8.459
  223   2HD   LYS  28          3HD       LYS  28 -10.537  -4.228   9.619
  224   1HE   LYS  28          2HE       LYS  28  -8.055  -3.467   8.030
  225   2HE   LYS  28          3HE       LYS  28  -9.713  -3.023   7.586
  226   1HZ   LYS  28          1HZ       LYS  28  -9.889  -1.807   9.682
  227   2HZ   LYS  28          2HZ       LYS  28  -8.345  -2.212  10.070
  228   3HZ   LYS  28          3HZ       LYS  28  -8.622  -1.217   8.810
  229    H    ARG  29           H        ARG  29  -4.045  -6.899  10.896
  230    HA   ARG  29           HA       ARG  29  -4.575  -9.828  11.074
  231   1HB   ARG  29          2HB       ARG  29  -3.179  -8.485   9.054
  232   2HB   ARG  29          3HB       ARG  29  -1.909  -9.097  10.066
  233   1HG   ARG  29          2HG       ARG  29  -4.065 -10.591   8.538
  234   2HG   ARG  29          3HG       ARG  29  -2.330 -10.656   8.318
  235   1HD   ARG  29          2HD       ARG  29  -2.653 -12.695   9.316
  236   2HD   ARG  29          3HD       ARG  29  -2.328 -11.739  10.745
  237    HE   ARG  29           HE       ARG  29  -4.444 -12.052  11.494
  238   1HH1  ARG  29          1HH2      ARG  29  -4.364 -13.073   8.142
  239   2HH1  ARG  29          2HH2      ARG  29  -6.000 -13.671   8.148
  240   1HH2  ARG  29          1HH1      ARG  29  -6.582 -12.762  11.449
  241   2HH2  ARG  29          2HH1      ARG  29  -7.230 -13.505  10.013
  242    H    VAL  30           H        VAL  30  -2.645  -7.182  12.432
  243    HA   VAL  30           HA       VAL  30  -2.069  -8.897  14.814
  244    HB   VAL  30           HB       VAL  30  -0.210  -6.766  13.666
  245   1HG1  VAL  30          1HG1      VAL  30   0.023  -8.732  15.979
  246   2HG1  VAL  30          2HG1      VAL  30   1.420  -7.937  15.269
  247   3HG1  VAL  30          3HG1      VAL  30   0.166  -6.951  16.021
  248   1HG2  VAL  30          1HG2      VAL  30   0.025  -9.793  13.473
  249   2HG2  VAL  30          2HG2      VAL  30  -0.129  -8.630  12.129
  250   3HG2  VAL  30          3HG2      VAL  30   1.333  -8.641  13.103
  251    H    SER  31           H        SER  31  -2.013  -7.599  16.914
  252    HA   SER  31           HA       SER  31  -4.074  -5.495  16.738
  253   1HB   SER  31          2HB       SER  31  -4.069  -7.168  18.573
  254   2HB   SER  31          3HB       SER  31  -2.526  -6.505  19.157
  255    HG   SER  31           HG       SER  31  -4.603  -5.703  20.062
  256    H    ALA  32           H        ALA  32  -3.722  -3.333  16.759
  257    HA   ALA  32           HA       ALA  32  -1.348  -1.946  16.691
  258   1HB   ALA  32          1HB       ALA  32  -3.563  -1.001  16.204
  259   2HB   ALA  32          2HB       ALA  32  -3.988  -1.075  17.931
  260   3HB   ALA  32          3HB       ALA  32  -2.686  -0.002  17.375
  261    H    LYS  33           H        LYS  33  -2.741  -3.451  19.541
  262    HA   LYS  33           HA       LYS  33  -1.261  -2.011  21.563
  263   1HB   LYS  33          2HB       LYS  33  -3.303  -3.734  21.702
  264   2HB   LYS  33          3HB       LYS  33  -2.027  -4.943  21.759
  265   1HG   LYS  33          2HG       LYS  33  -2.575  -4.469  24.030
  266   2HG   LYS  33          3HG       LYS  33  -1.047  -3.655  23.744
  267   1HD   LYS  33          2HD       LYS  33  -2.029  -1.831  24.619
  268   2HD   LYS  33          3HD       LYS  33  -2.847  -1.647  23.069
  269   1HE   LYS  33          2HE       LYS  33  -3.923  -3.102  25.525
  270   2HE   LYS  33          3HE       LYS  33  -4.395  -1.484  24.990
  271   1HZ   LYS  33          1HZ       LYS  33  -5.249  -2.473  22.952
  272   2HZ   LYS  33          2HZ       LYS  33  -4.819  -3.978  23.461
  273   3HZ   LYS  33          3HZ       LYS  33  -5.986  -3.142  24.263
  274    H    GLU  34           H        GLU  34  -0.256  -4.381  19.245
  275    HA   GLU  34           HA       GLU  34   2.237  -5.085  20.723
  276   1HB   GLU  34          2HB       GLU  34   1.108  -6.198  18.129
  277   2HB   GLU  34          3HB       GLU  34   2.343  -6.920  19.154
  278   1HG   GLU  34          2HG       GLU  34   0.683  -7.433  20.873
  279   2HG   GLU  34          3HG       GLU  34  -0.575  -6.555  20.013
  280    H    ILE  35           H        ILE  35   1.032  -3.298  18.038
  281    HA   ILE  35           HA       ILE  35   3.388  -3.103  16.362
  282    HB   ILE  35           HB       ILE  35   0.831  -1.465  16.600
  283   1HG1  ILE  35          2HG1      ILE  35   0.415  -3.838  15.940
  284   2HG1  ILE  35          3HG1      ILE  35  -0.082  -2.660  14.738
  285   1HG2  ILE  35          1HG2      ILE  35   2.415  -0.063  15.491
  286   2HG2  ILE  35          2HG2      ILE  35   2.936  -1.377  14.414
  287   3HG2  ILE  35          3HG2      ILE  35   1.291  -0.694  14.285
  288   1HD1  ILE  35          1HD1      ILE  35   1.881  -3.210  13.372
  289   2HD1  ILE  35          2HD1      ILE  35   2.464  -4.307  14.652
  290   3HD1  ILE  35          3HD1      ILE  35   0.968  -4.673  13.774
  291    H    VAL  36           H        VAL  36   5.195  -2.169  17.148
  292    HA   VAL  36           HA       VAL  36   5.122   0.119  19.026
  293    HB   VAL  36           HB       VAL  36   7.341  -1.410  17.619
  294   1HG1  VAL  36          1HG1      VAL  36   8.084   0.882  17.519
  295   2HG1  VAL  36          2HG1      VAL  36   7.625   1.154  19.220
  296   3HG1  VAL  36          3HG1      VAL  36   8.961   0.049  18.809
  297   1HG2  VAL  36          1HG2      VAL  36   6.761  -0.871  20.559
  298   2HG2  VAL  36          2HG2      VAL  36   6.308  -2.348  19.691
  299   3HG2  VAL  36          3HG2      VAL  36   8.020  -1.939  19.896
  300    H    ASP  37           H        ASP  37   5.984  -0.517  15.583
  301    HA   ASP  37           HA       ASP  37   4.506   1.788  14.788
  302   1HB   ASP  37          2HB       ASP  37   7.018   2.580  15.571
  303   2HB   ASP  37          3HB       ASP  37   7.327   2.216  13.882
  304    H    ILE  38           H        ILE  38   4.961   2.309  12.371
  305    HA   ILE  38           HA       ILE  38   5.877   0.001  10.765
  306    HB   ILE  38           HB       ILE  38   3.902   0.299   9.202
  307   1HG1  ILE  38          2HG1      ILE  38   2.506   1.498  11.639
  308   2HG1  ILE  38          3HG1      ILE  38   2.958   2.389  10.187
  309   1HG2  ILE  38          1HG2      ILE  38   4.279  -1.679  10.609
  310   2HG2  ILE  38          2HG2      ILE  38   3.297  -0.956  11.902
  311   3HG2  ILE  38          3HG2      ILE  38   2.568  -1.376  10.334
  312   1HD1  ILE  38          1HD1      ILE  38   1.470   0.872   8.838
  313   2HD1  ILE  38          2HD1      ILE  38   0.897   0.160  10.368
  314   3HD1  ILE  38          3HD1      ILE  38   0.628   1.875  10.033
  315    H    ASP  39           H        ASP  39   6.883   0.580   8.927
  316    HA   ASP  39           HA       ASP  39   6.809   3.469   8.123
  317   1HB   ASP  39          2HB       ASP  39   9.203   1.667   8.522
  318   2HB   ASP  39          3HB       ASP  39   9.236   3.013   7.382
  319    H    ILE  40           H        ILE  40   5.969   3.692   6.218
  320    HA   ILE  40           HA       ILE  40   6.246   1.552   4.158
  321    HB   ILE  40           HB       ILE  40   3.740   2.968   5.119
  322   1HG1  ILE  40          2HG1      ILE  40   4.110   0.019   4.573
  323   2HG1  ILE  40          3HG1      ILE  40   4.685   0.679   6.107
  324   1HG2  ILE  40          1HG2      ILE  40   2.578   1.766   3.209
  325   2HG2  ILE  40          2HG2      ILE  40   3.648   3.056   2.671
  326   3HG2  ILE  40          3HG2      ILE  40   4.176   1.356   2.557
  327   1HD1  ILE  40          1HD1      ILE  40   2.398   1.484   6.599
  328   2HD1  ILE  40          2HD1      ILE  40   1.850   0.711   5.082
  329   3HD1  ILE  40          3HD1      ILE  40   2.536  -0.279   6.394
  330    H    THR  41           H        THR  41   6.957   2.242   2.324
  331    HA   THR  41           HA       THR  41   6.699   5.139   1.584
  332    HB   THR  41           HB       THR  41   8.970   3.237   0.881
  333    HG1  THR  41           1HG      THR  41   8.848   4.033   3.072
  334   1HG2  THR  41          1HG2      THR  41   8.552   4.991  -0.842
  335   2HG2  THR  41          2HG2      THR  41   8.625   6.239   0.420
  336   3HG2  THR  41          3HG2      THR  41  10.068   5.274   0.030
  337    H    VAL  42           H        VAL  42   5.306   5.344  -0.026
  338    HA   VAL  42           HA       VAL  42   5.104   3.234  -2.139
  339    HB   VAL  42           HB       VAL  42   3.289   5.622  -1.626
  340   1HG1  VAL  42          1HG1      VAL  42   3.339   5.131  -3.998
  341   2HG1  VAL  42          2HG1      VAL  42   3.225   3.385  -3.697
  342   3HG1  VAL  42          3HG1      VAL  42   1.843   4.438  -3.366
  343   1HG2  VAL  42          1HG2      VAL  42   2.611   2.682  -1.279
  344   2HG2  VAL  42          2HG2      VAL  42   2.955   3.795   0.067
  345   3HG2  VAL  42          3HG2      VAL  42   1.557   4.070  -0.976
  346    H    LEU  43           H        LEU  43   6.111   3.695  -4.008
  347    HA   LEU  43           HA       LEU  43   6.886   6.532  -4.609
  348   1HB   LEU  43          2HB       LEU  43   8.349   4.004  -5.447
  349   2HB   LEU  43          3HB       LEU  43   8.793   5.645  -5.879
  350    HG   LEU  43           HG       LEU  43   8.787   4.532  -3.050
  351   1HD1  LEU  43          1HD1      LEU  43  10.509   3.477  -4.441
  352   2HD1  LEU  43          2HD1      LEU  43  11.112   5.077  -4.937
  353   3HD1  LEU  43          3HD1      LEU  43  11.238   4.552  -3.242
  354   1HD2  LEU  43          1HD2      LEU  43   9.840   7.176  -4.150
  355   2HD2  LEU  43          2HD2      LEU  43   8.471   6.966  -3.030
  356   3HD2  LEU  43          3HD2      LEU  43  10.108   6.572  -2.501
  357    H    VAL  44           H        VAL  44   6.337   7.243  -6.571
  358    HA   VAL  44           HA       VAL  44   5.208   5.409  -8.577
  359    HB   VAL  44           HB       VAL  44   3.252   6.021  -7.294
  360   1HG1  VAL  44          1HG1      VAL  44   4.005   8.142  -6.276
  361   2HG1  VAL  44          2HG1      VAL  44   3.846   8.946  -7.851
  362   3HG1  VAL  44          3HG1      VAL  44   2.420   8.255  -7.034
  363   1HG2  VAL  44          1HG2      VAL  44   3.249   7.599  -9.896
  364   2HG2  VAL  44          2HG2      VAL  44   3.140   5.834  -9.803
  365   3HG2  VAL  44          3HG2      VAL  44   1.870   6.831  -9.078
  366    H    GLU  45           H        GLU  45   5.783   5.932 -10.583
  367    HA   GLU  45           HA       GLU  45   6.870   8.614 -11.221
  368   1HB   GLU  45          2HB       GLU  45   8.683   7.035 -10.225
  369   2HB   GLU  45          3HB       GLU  45   8.504   6.095 -11.707
  370   1HG   GLU  45          2HG       GLU  45   9.056   8.241 -12.996
  371   2HG   GLU  45          3HG       GLU  45   9.385   9.001 -11.444
  372    H    TYR  46           H        TYR  46   7.253   8.824 -13.601
  373    HA   TYR  46           HA       TYR  46   5.978   6.743 -15.273
  374   1HB   TYR  46          2HB       TYR  46   4.301   8.553 -14.499
  375   2HB   TYR  46          3HB       TYR  46   5.159   9.652 -15.560
  376    HD1  TYR  46           HD1      TYR  46   2.299   7.936 -15.359
  377    HD2  TYR  46           HD2      TYR  46   5.659   8.183 -18.054
  378    HE1  TYR  46           HE1      TYR  46   0.924   6.938 -17.164
  379    HE2  TYR  46           HE2      TYR  46   4.297   7.174 -19.847
  380    HH   TYR  46           HH       TYR  46   2.318   6.216 -20.391
  381    H    THR  47           H        THR  47   7.667   6.227 -16.504
  382    HA   THR  47           HA       THR  47   9.283   8.363 -17.815
  383    HB   THR  47           HB       THR  47  10.541   7.766 -15.882
  384    HG1  THR  47           1HG      THR  47  12.397   7.073 -16.979
  385   1HG2  THR  47          1HG2      THR  47   9.755   5.429 -15.462
  386   2HG2  THR  47          2HG2      THR  47  10.755   4.882 -16.830
  387   3HG2  THR  47          3HG2      THR  47  11.506   5.633 -15.413
  388    H    ASP  48           H        ASP  48   7.933   8.007 -19.513
  389    HA   ASP  48           HA       ASP  48   7.004   7.183 -21.366
  390   1HB   ASP  48          2HB       ASP  48   9.407   6.708 -21.971
  391   2HB   ASP  48          3HB       ASP  48   9.131   5.031 -21.487
  392    H    GLU  49           H        GLU  49   7.859   4.581 -19.131
  393    HA   GLU  49           HA       GLU  49   5.148   3.359 -19.369
  394   1HB   GLU  49          2HB       GLU  49   7.164   1.921 -19.722
  395   2HB   GLU  49          3HB       GLU  49   7.731   2.340 -18.103
  396   1HG   GLU  49          2HG       GLU  49   5.769   1.239 -17.104
  397   2HG   GLU  49          3HG       GLU  49   5.105   0.922 -18.716
  398    H    LEU  50           H        LEU  50   4.002   2.944 -17.393
  399    HA   LEU  50           HA       LEU  50   4.345   4.953 -15.259
  400   1HB   LEU  50          2HB       LEU  50   2.116   4.560 -16.199
  401   2HB   LEU  50          3HB       LEU  50   2.262   2.827 -15.924
  402    HG   LEU  50           HG       LEU  50   2.237   3.199 -13.461
  403   1HD1  LEU  50          1HD1      LEU  50   3.084   5.549 -13.387
  404   2HD1  LEU  50          2HD1      LEU  50   1.578   6.093 -14.159
  405   3HD1  LEU  50          3HD1      LEU  50   1.548   5.361 -12.543
  406   1HD2  LEU  50          1HD2      LEU  50  -0.110   4.423 -14.970
  407   2HD2  LEU  50          2HD2      LEU  50   0.170   2.688 -14.691
  408   3HD2  LEU  50          3HD2      LEU  50  -0.150   3.760 -13.321
  409    H    LYS  51           H        LYS  51   5.298   4.487 -13.319
  410    HA   LYS  51           HA       LYS  51   5.863   1.629 -12.626
  411   1HB   LYS  51          2HB       LYS  51   7.660   4.063 -12.310
  412   2HB   LYS  51          3HB       LYS  51   8.088   2.431 -11.824
  413   1HG   LYS  51          2HG       LYS  51   7.532   3.171 -14.736
  414   2HG   LYS  51          3HG       LYS  51   9.086   3.415 -13.980
  415   1HD   LYS  51          2HD       LYS  51   9.034   1.375 -15.297
  416   2HD   LYS  51          3HD       LYS  51   9.402   1.056 -13.594
  417   1HE   LYS  51          2HE       LYS  51   7.181   0.193 -13.197
  418   2HE   LYS  51          3HE       LYS  51   6.619   0.758 -14.781
  419   1HZ   LYS  51          1HZ       LYS  51   8.007  -0.780 -15.863
  420   2HZ   LYS  51          2HZ       LYS  51   8.718  -1.298 -14.454
  421   3HZ   LYS  51          3HZ       LYS  51   7.122  -1.616 -14.778
  422    H    VAL  52           H        VAL  52   5.578   1.022 -10.577
  423    HA   VAL  52           HA       VAL  52   5.251   3.027  -8.450
  424    HB   VAL  52           HB       VAL  52   3.256   0.797  -9.029
  425   1HG1  VAL  52          1HG1      VAL  52   3.614   0.765  -6.604
  426   2HG1  VAL  52          2HG1      VAL  52   3.475   2.536  -6.523
  427   3HG1  VAL  52          3HG1      VAL  52   2.075   1.529  -6.932
  428   1HG2  VAL  52          1HG2      VAL  52   2.894   3.804  -8.691
  429   2HG2  VAL  52          2HG2      VAL  52   2.812   2.920 -10.233
  430   3HG2  VAL  52          3HG2      VAL  52   1.597   2.633  -8.990
  431    H    ASP  53           H        ASP  53   6.047   2.374  -6.519
  432    HA   ASP  53           HA       ASP  53   6.737  -0.484  -6.086
  433   1HB   ASP  53          2HB       ASP  53   8.906   0.671  -6.538
  434   2HB   ASP  53          3HB       ASP  53   8.540   1.833  -5.258
  435    H    ILE  54           H        ILE  54   6.230  -1.138  -4.029
  436    HA   ILE  54           HA       ILE  54   5.538   0.925  -2.038
  437    HB   ILE  54           HB       ILE  54   3.941  -1.640  -2.276
  438   1HG1  ILE  54          2HG1      ILE  54   2.894   1.098  -3.099
  439   2HG1  ILE  54          3HG1      ILE  54   3.442  -0.112  -4.256
  440   1HG2  ILE  54          1HG2      ILE  54   4.050  -0.713  -0.033
  441   2HG2  ILE  54          2HG2      ILE  54   3.806   0.934  -0.617
  442   3HG2  ILE  54          3HG2      ILE  54   2.473  -0.217  -0.669
  443   1HD1  ILE  54          1HD1      ILE  54   1.788  -1.731  -3.477
  444   2HD1  ILE  54          2HD1      ILE  54   1.160  -0.556  -2.307
  445   3HD1  ILE  54          3HD1      ILE  54   1.052  -0.218  -4.062
  446    H    SER  55           H        SER  55   6.888   0.698  -0.470
  447    HA   SER  55           HA       SER  55   8.107  -1.978   0.147
  448   1HB   SER  55          2HB       SER  55   9.340   0.791  -0.159
  449   2HB   SER  55          3HB       SER  55  10.141  -0.543   0.688
  450    HG   SER  55           HG       SER  55   9.473  -0.368  -2.133
  451    H    ALA  56           H        ALA  56   7.721  -2.581   2.207
  452    HA   ALA  56           HA       ALA  56   6.964  -0.528   4.231
  453   1HB   ALA  56          1HB       ALA  56   4.948  -1.605   3.189
  454   2HB   ALA  56          2HB       ALA  56   5.562  -3.182   3.737
  455   3HB   ALA  56          3HB       ALA  56   5.106  -1.949   4.926
  456    H    GLU  57           H        GLU  57   7.542  -0.905   6.310
  457    HA   GLU  57           HA       GLU  57   8.620  -3.560   7.056
  458   1HB   GLU  57          2HB       GLU  57  10.482  -1.917   6.397
  459   2HB   GLU  57          3HB       GLU  57  10.089  -1.038   7.883
  460   1HG   GLU  57          2HG       GLU  57  10.616  -2.998   9.240
  461   2HG   GLU  57          3HG       GLU  57  10.706  -4.021   7.811
  462    H    LEU  58           H        LEU  58   8.486  -4.045   9.266
  463    HA   LEU  58           HA       LEU  58   6.318  -2.594  10.710
  464   1HB   LEU  58          2HB       LEU  58   5.368  -4.486   9.546
  465   2HB   LEU  58          3HB       LEU  58   6.733  -5.518   9.986
  466    HG   LEU  58           HG       LEU  58   6.024  -5.512  12.351
  467   1HD1  LEU  58          1HD1      LEU  58   4.807  -3.348  12.444
  468   2HD1  LEU  58          2HD1      LEU  58   3.564  -4.020  11.359
  469   3HD1  LEU  58          3HD1      LEU  58   3.827  -4.712  12.974
  470   1HD2  LEU  58          1HD2      LEU  58   3.859  -6.348  10.388
  471   2HD2  LEU  58          2HD2      LEU  58   5.270  -7.313  10.897
  472   3HD2  LEU  58          3HD2      LEU  58   4.011  -6.907  12.068
  473    H    TYR  59           H        TYR  59   6.814  -2.087  12.779
  474    HA   TYR  59           HA       TYR  59   8.947  -3.664  14.145
  475   1HB   TYR  59          2HB       TYR  59   8.161  -0.782  14.625
  476   2HB   TYR  59          3HB       TYR  59   9.471  -1.673  15.398
  477    HD1  TYR  59           HD1      TYR  59  10.771  -3.092  13.107
  478    HD2  TYR  59           HD2      TYR  59   9.197   0.927  13.355
  479    HE1  TYR  59           HE1      TYR  59  12.195  -2.414  11.201
  480    HE2  TYR  59           HE2      TYR  59  10.675   1.606  11.479
  481    HH   TYR  59           HH       TYR  59  12.583  -0.800   9.589
  482    H    LEU  60           H        LEU  60   8.109  -5.098  15.348
  483    HA   LEU  60           HA       LEU  60   5.668  -4.616  16.967
  484   1HB   LEU  60          2HB       LEU  60   7.203  -7.113  16.119
  485   2HB   LEU  60          3HB       LEU  60   6.025  -7.160  17.420
  486    HG   LEU  60           HG       LEU  60   5.352  -6.225  14.600
  487   1HD1  LEU  60          1HD1      LEU  60   5.990  -8.611  14.609
  488   2HD1  LEU  60          2HD1      LEU  60   4.855  -8.920  15.943
  489   3HD1  LEU  60          3HD1      LEU  60   4.249  -8.409  14.347
  490   1HD2  LEU  60          1HD2      LEU  60   3.038  -6.509  15.339
  491   2HD2  LEU  60          2HD2      LEU  60   3.580  -7.033  16.959
  492   3HD2  LEU  60          3HD2      LEU  60   3.840  -5.376  16.409
  493    H    ASP  61           H        ASP  61   5.638  -5.073  19.161
  494    HA   ASP  61           HA       ASP  61   8.049  -4.375  20.618
  495   1HB   ASP  61          2HB       ASP  61   5.743  -3.979  21.485
  496   2HB   ASP  61          3HB       ASP  61   5.532  -5.727  21.661
  497    H    GLU  62           H        GLU  62   9.284  -5.671  21.981
  498    HA   GLU  62           HA       GLU  62  10.254  -8.159  20.807
  499   1HB   GLU  62          2HB       GLU  62  10.979  -6.533  23.273
  500   2HB   GLU  62          3HB       GLU  62  11.848  -7.995  22.829
  501   1HG   GLU  62          2HG       GLU  62  11.600  -5.686  20.868
  502   2HG   GLU  62          3HG       GLU  62  12.829  -5.729  22.126
  503    H    LEU  63           H        LEU  63   7.525  -8.107  22.011
  504    HA   LEU  63           HA       LEU  63   7.616 -10.481  23.795
  505   1HB   LEU  63          2HB       LEU  63   6.089  -7.883  24.244
  506   2HB   LEU  63          3HB       LEU  63   5.833  -9.348  25.184
  507    HG   LEU  63           HG       LEU  63   8.459  -7.780  25.103
  508   1HD1  LEU  63          1HD1      LEU  63   6.663  -6.536  26.215
  509   2HD1  LEU  63          2HD1      LEU  63   6.300  -7.937  27.249
  510   3HD1  LEU  63          3HD1      LEU  63   7.865  -7.096  27.382
  511   1HD2  LEU  63          1HD2      LEU  63   7.557 -10.126  26.848
  512   2HD2  LEU  63          2HD2      LEU  63   8.848 -10.159  25.624
  513   3HD2  LEU  63          3HD2      LEU  63   9.048  -9.179  27.074
  514    H    SER  64           H        SER  64   6.577  -9.366  20.875
  515    HA   SER  64           HA       SER  64   4.245 -11.236  20.874
  516   1HB   SER  64          2HB       SER  64   4.311  -8.365  20.038
  517   2HB   SER  64          3HB       SER  64   3.604  -9.487  18.866
  518    HG   SER  64           HG       SER  64   1.856  -9.434  20.010
  519    H    ASP  65           H        ASP  65   4.102 -12.599  19.147
  520    HA   ASP  65           HA       ASP  65   6.154 -12.463  17.021
  521   1HB   ASP  65          2HB       ASP  65   6.383 -14.879  17.288
  522   2HB   ASP  65          3HB       ASP  65   6.886 -13.992  18.717
  523    H    ALA  66           H        ALA  66   4.785 -11.625  15.642
  524    HA   ALA  66           HA       ALA  66   2.338 -12.901  14.711
  525   1HB   ALA  66          1HB       ALA  66   2.759 -10.445  14.650
  526   2HB   ALA  66          2HB       ALA  66   4.057 -10.719  13.455
  527   3HB   ALA  66          3HB       ALA  66   2.371 -11.106  13.060
  528    H    ASP  67           H        ASP  67   2.252 -13.175  12.120
  529    HA   ASP  67           HA       ASP  67   3.725 -15.543  11.724
  530   1HB   ASP  67          2HB       ASP  67   1.974 -14.027   9.743
  531   2HB   ASP  67          3HB       ASP  67   2.375 -15.740   9.693
  532    HA   PRO  68           HA       PRO  68   7.251 -14.060   9.510
  533   1HB   PRO  68          2HB       PRO  68   8.303 -16.362   8.499
  534   2HB   PRO  68          3HB       PRO  68   8.133 -16.064  10.250
  535   1HG   PRO  68          2HG       PRO  68   6.197 -17.567   8.451
  536   2HG   PRO  68          3HG       PRO  68   6.941 -18.133   9.986
  537   1HD   PRO  68          2HD       PRO  68   4.471 -17.010   9.947
  538   2HD   PRO  68          3HD       PRO  68   5.618 -16.666  11.277
  539    H    GLY  69           H        GLY  69   5.401 -13.057   8.195
  540   1HA   GLY  69          2HA       GLY  69   6.118 -12.652   5.505
  541   2HA   GLY  69          3HA       GLY  69   4.852 -13.885   5.489
  542    H    ILE  70           H        ILE  70   3.940 -12.136   8.138
  543    HA   ILE  70           HA       ILE  70   1.653 -11.218   6.989
  544    HB   ILE  70           HB       ILE  70   2.344 -11.716   9.381
  545   1HG1  ILE  70          2HG1      ILE  70   0.592  -9.278   9.414
  546   2HG1  ILE  70          3HG1      ILE  70   0.073 -10.689   8.477
  547   1HG2  ILE  70          1HG2      ILE  70   4.147 -10.023   9.641
  548   2HG2  ILE  70          2HG2      ILE  70   2.926  -8.724   9.535
  549   3HG2  ILE  70          3HG2      ILE  70   2.897  -9.859  10.879
  550   1HD1  ILE  70          1HD1      ILE  70   0.050 -12.122  10.332
  551   2HD1  ILE  70          2HD1      ILE  70   1.048 -11.054  11.325
  552   3HD1  ILE  70          3HD1      ILE  70  -0.611 -10.605  10.988
  553    H    VAL  71           H        VAL  71   4.633  -9.367   7.172
  554    HA   VAL  71           HA       VAL  71   3.477  -6.798   6.452
  555    HB   VAL  71           HB       VAL  71   6.296  -7.495   5.679
  556   1HG1  VAL  71          1HG1      VAL  71   5.366  -5.245   5.295
  557   2HG1  VAL  71          2HG1      VAL  71   5.075  -5.065   7.041
  558   3HG1  VAL  71          3HG1      VAL  71   6.734  -5.211   6.413
  559   1HG2  VAL  71          1HG2      VAL  71   5.460  -7.219   8.564
  560   2HG2  VAL  71          2HG2      VAL  71   6.307  -8.584   7.780
  561   3HG2  VAL  71          3HG2      VAL  71   7.130  -7.034   7.970
  562    H    ASP  72           H        ASP  72   5.267  -9.334   4.699
  563    HA   ASP  72           HA       ASP  72   5.134  -8.216   2.093
  564   1HB   ASP  72          2HB       ASP  72   6.648 -10.057   2.895
  565   2HB   ASP  72          3HB       ASP  72   5.271 -11.161   2.846
  566    H    GLU  73           H        GLU  73   2.870 -10.465   3.778
  567    HA   GLU  73           HA       GLU  73   0.978 -10.646   1.628
  568   1HB   GLU  73          2HB       GLU  73   0.457 -10.704   4.627
  569   2HB   GLU  73          3HB       GLU  73  -0.696 -11.103   3.368
  570   1HG   GLU  73          2HG       GLU  73   1.104 -12.863   2.614
  571   2HG   GLU  73          3HG       GLU  73   1.702 -12.679   4.280
  572    H    ALA  74           H        ALA  74   1.475  -8.061   4.087
  573    HA   ALA  74           HA       ALA  74  -1.015  -6.709   3.450
  574   1HB   ALA  74          1HB       ALA  74   0.389  -6.437   5.586
  575   2HB   ALA  74          2HB       ALA  74   1.497  -5.447   4.619
  576   3HB   ALA  74          3HB       ALA  74  -0.184  -4.944   4.818
  577    H    VAL  75           H        VAL  75   2.394  -6.399   2.320
  578    HA   VAL  75           HA       VAL  75   1.767  -4.204   0.555
  579    HB   VAL  75           HB       VAL  75   4.104  -6.006  -0.034
  580   1HG1  VAL  75          1HG1      VAL  75   3.428  -3.894  -1.351
  581   2HG1  VAL  75          2HG1      VAL  75   3.832  -2.975   0.101
  582   3HG1  VAL  75          3HG1      VAL  75   5.086  -3.926  -0.718
  583   1HG2  VAL  75          1HG2      VAL  75   3.864  -4.201   2.398
  584   2HG2  VAL  75          2HG2      VAL  75   4.575  -5.830   2.250
  585   3HG2  VAL  75          3HG2      VAL  75   5.427  -4.460   1.580
  586    H    ASP  76           H        ASP  76   2.075  -7.759  -0.060
  587    HA   ASP  76           HA       ASP  76   1.366  -7.801  -2.782
  588   1HB   ASP  76          2HB       ASP  76   2.192  -9.733  -1.568
  589   2HB   ASP  76          3HB       ASP  76   0.791  -9.721  -0.496
  590    H    ALA  77           H        ALA  77  -0.821  -7.745   0.099
  591    HA   ALA  77           HA       ALA  77  -3.252  -7.712  -1.400
  592   1HB   ALA  77          1HB       ALA  77  -3.149  -8.184   1.010
  593   2HB   ALA  77          2HB       ALA  77  -2.645  -6.514   1.340
  594   3HB   ALA  77          3HB       ALA  77  -4.259  -6.840   0.674
  595    H    ALA  78           H        ALA  78  -1.138  -4.965  -0.331
  596    HA   ALA  78           HA       ALA  78  -2.773  -2.925  -1.508
  597   1HB   ALA  78          1HB       ALA  78  -1.078  -2.481   0.162
  598   2HB   ALA  78          2HB       ALA  78   0.227  -2.937  -0.956
  599   3HB   ALA  78          3HB       ALA  78  -0.765  -1.516  -1.288
  600    H    TYR  79           H        TYR  79  -0.056  -4.852  -2.922
  601    HA   TYR  79           HA       TYR  79  -0.085  -3.547  -5.468
  602   1HB   TYR  79          2HB       TYR  79   0.738  -6.345  -4.589
  603   2HB   TYR  79          3HB       TYR  79   0.882  -5.801  -6.248
  604    HD1  TYR  79           HD1      TYR  79   2.713  -6.116  -3.235
  605    HD2  TYR  79           HD2      TYR  79   2.072  -3.453  -6.587
  606    HE1  TYR  79           HE1      TYR  79   4.953  -5.096  -2.880
  607    HE2  TYR  79           HE2      TYR  79   4.301  -2.414  -6.185
  608    HH   TYR  79           HH       TYR  79   6.311  -3.207  -3.377
  609    H    ARG  80           H        ARG  80  -1.916  -6.473  -4.364
  610    HA   ARG  80           HA       ARG  80  -3.380  -6.774  -6.853
  611   1HB   ARG  80          2HB       ARG  80  -4.002  -7.695  -4.017
  612   2HB   ARG  80          3HB       ARG  80  -4.939  -8.152  -5.452
  613   1HG   ARG  80          2HG       ARG  80  -2.946  -9.190  -6.480
  614   2HG   ARG  80          3HG       ARG  80  -1.969  -8.700  -5.090
  615   1HD   ARG  80          2HD       ARG  80  -3.716 -10.026  -3.668
  616   2HD   ARG  80          3HD       ARG  80  -4.150 -10.798  -5.199
  617    HE   ARG  80           HE       ARG  80  -1.634 -10.982  -3.634
  618   1HH1  ARG  80          1HH2      ARG  80  -3.163 -12.000  -6.631
  619   2HH1  ARG  80          2HH2      ARG  80  -1.821 -13.030  -7.070
  620   1HH2  ARG  80          1HH1      ARG  80   0.121 -11.971  -4.389
  621   2HH2  ARG  80          2HH1      ARG  80   0.019 -13.104  -5.732
  622    H    SER  81           H        SER  81  -4.083  -4.949  -3.863
  623    HA   SER  81           HA       SER  81  -6.678  -4.049  -4.589
  624   1HB   SER  81          2HB       SER  81  -5.741  -3.787  -2.332
  625   2HB   SER  81          3HB       SER  81  -4.518  -2.661  -2.948
  626    HG   SER  81           HG       SER  81  -6.232  -1.497  -2.097
  627    H    LEU  82           H        LEU  82  -3.451  -2.457  -5.192
  628    HA   LEU  82           HA       LEU  82  -4.540  -0.355  -6.774
  629   1HB   LEU  82          2HB       LEU  82  -2.313  -0.302  -5.759
  630   2HB   LEU  82          3HB       LEU  82  -1.773  -1.608  -6.808
  631    HG   LEU  82           HG       LEU  82  -1.940  -0.207  -8.778
  632   1HD1  LEU  82          1HD1      LEU  82  -3.901   1.190  -8.343
  633   2HD1  LEU  82          2HD1      LEU  82  -3.086   1.987  -6.988
  634   3HD1  LEU  82          3HD1      LEU  82  -2.505   2.219  -8.646
  635   1HD2  LEU  82          1HD2      LEU  82  -0.628   1.325  -6.497
  636   2HD2  LEU  82          2HD2      LEU  82   0.088  -0.040  -7.383
  637   3HD2  LEU  82          3HD2      LEU  82  -0.258   1.478  -8.227
  638    H    GLU  83           H        GLU  83  -3.261  -3.598  -7.811
  639    HA   GLU  83           HA       GLU  83  -3.560  -3.180 -10.610
  640   1HB   GLU  83          2HB       GLU  83  -2.300  -5.002  -9.942
  641   2HB   GLU  83          3HB       GLU  83  -3.442  -5.523  -8.731
  642   1HG   GLU  83          2HG       GLU  83  -4.446  -5.791 -11.529
  643   2HG   GLU  83          3HG       GLU  83  -3.035  -6.754 -11.119
  644    H    SER  84           H        SER  84  -5.987  -4.480  -8.269
  645    HA   SER  84           HA       SER  84  -7.989  -4.681 -10.355
  646   1HB   SER  84          2HB       SER  84  -7.997  -5.024  -7.352
  647   2HB   SER  84          3HB       SER  84  -9.479  -5.127  -8.315
  648    HG   SER  84           HG       SER  84  -7.154  -6.689  -9.097
  649    H    PHE  85           H        PHE  85  -7.227  -2.174  -7.934
  650    HA   PHE  85           HA       PHE  85  -9.466  -0.443  -8.397
  651   1HB   PHE  85          2HB       PHE  85  -7.946  -0.192  -6.543
  652   2HB   PHE  85          3HB       PHE  85  -6.564  -0.074  -7.607
  653    HD1  PHE  85           HD1      PHE  85  -8.740   1.777  -5.578
  654    HD2  PHE  85           HD2      PHE  85  -6.434   1.990  -9.211
  655    HE1  PHE  85           HE1      PHE  85  -8.434   4.215  -5.235
  656    HE2  PHE  85           HE2      PHE  85  -6.142   4.439  -8.878
  657    HZ   PHE  85           HZ       PHE  85  -7.126   5.549  -6.881
  658    H    LEU  86           H        LEU  86  -6.277  -0.760 -10.122
  659    HA   LEU  86           HA       LEU  86  -6.975   1.351 -11.954
  660   1HB   LEU  86          2HB       LEU  86  -4.622   0.398 -11.243
  661   2HB   LEU  86          3HB       LEU  86  -4.923  -0.803 -12.510
  662    HG   LEU  86           HG       LEU  86  -5.182   1.067 -14.155
  663   1HD1  LEU  86          1HD1      LEU  86  -5.845   2.940 -12.732
  664   2HD1  LEU  86          2HD1      LEU  86  -4.347   2.803 -11.786
  665   3HD1  LEU  86          3HD1      LEU  86  -4.297   3.335 -13.479
  666   1HD2  LEU  86          1HD2      LEU  86  -2.580   1.056 -12.570
  667   2HD2  LEU  86          2HD2      LEU  86  -3.024  -0.073 -13.869
  668   3HD2  LEU  86          3HD2      LEU  86  -2.770   1.644 -14.236
  669    H    ASP  87           H        ASP  87  -7.213  -2.237 -12.161
  670    HA   ASP  87           HA       ASP  87  -8.303  -2.377 -14.791
  671   1HB   ASP  87          2HB       ASP  87  -7.615  -4.302 -13.346
  672   2HB   ASP  87          3HB       ASP  87  -9.036  -4.023 -12.335
  673    H    GLY  88           H        GLY  88  -9.695  -1.296 -11.707
  674   1HA   GLY  88          2HA       GLY  88 -12.451  -1.187 -12.620
  675   2HA   GLY  88          3HA       GLY  88 -11.769  -0.479 -11.146
  676    H    PHE  89           H        PHE  89  -9.752   0.894 -13.199
  677    HA   PHE  89           HA       PHE  89 -11.594   3.142 -13.936
  678   1HB   PHE  89          2HB       PHE  89  -8.836   3.321 -12.689
  679   2HB   PHE  89          3HB       PHE  89  -9.794   4.692 -13.229
  680    HD1  PHE  89           HD1      PHE  89  -8.625   3.740 -10.378
  681    HD2  PHE  89           HD2      PHE  89 -12.544   3.901 -12.174
  682    HE1  PHE  89           HE1      PHE  89  -9.675   3.975  -8.141
  683    HE2  PHE  89           HE2      PHE  89 -13.567   4.147  -9.949
  684    HZ   PHE  89           HZ       PHE  89 -12.132   4.180  -7.915
  685    H    ARG  90           H        ARG  90  -9.108   1.102 -15.160
  686    HA   ARG  90           HA       ARG  90  -9.086   2.757 -17.684
  687   1HB   ARG  90          2HB       ARG  90  -6.862   1.026 -16.583
  688   2HB   ARG  90          3HB       ARG  90  -6.829   1.942 -18.090
  689   1HG   ARG  90          2HG       ARG  90  -6.916   4.055 -16.686
  690   2HG   ARG  90          3HG       ARG  90  -6.660   3.017 -15.262
  691   1HD   ARG  90          2HD       ARG  90  -4.834   3.539 -17.624
  692   2HD   ARG  90          3HD       ARG  90  -4.455   3.696 -15.898
  693    HE   ARG  90           HE       ARG  90  -5.018   1.027 -16.156
  694   1HH1  ARG  90          1HH2      ARG  90  -2.644   2.925 -17.851
  695   2HH1  ARG  90          2HH2      ARG  90  -1.973   1.535 -18.664
  696   1HH2  ARG  90          1HH1      ARG  90  -4.455  -0.635 -17.539
  697   2HH2  ARG  90          2HH1      ARG  90  -2.879  -0.530 -18.267
  698    H    GLU  91           H        GLU  91  -8.624  -0.496 -16.288
  699    HA   GLU  91           HA       GLU  91  -8.788  -2.606 -17.147
  700   1HB   GLU  91          2HB       GLU  91 -10.885  -1.604 -18.346
  701   2HB   GLU  91          3HB       GLU  91  -9.884  -1.642 -19.795
  702   1HG   GLU  91          2HG       GLU  91  -9.578  -4.112 -19.446
  703   2HG   GLU  91          3HG       GLU  91 -10.627  -4.014 -18.029
  Start of MODEL    6
    1    H    MET   1           H1       MET   1 -17.091   6.164 -15.741
    2    HA   MET   1           HA       MET   1 -15.400   6.081 -14.087
    3   1HB   MET   1          2HB       MET   1 -13.579   5.438 -16.449
    4   2HB   MET   1          3HB       MET   1 -12.998   5.952 -14.860
    5   1HG   MET   1          2HG       MET   1 -12.879   3.600 -14.888
    6   2HG   MET   1          3HG       MET   1 -14.186   4.048 -13.804
    7   1HE   MET   1          1HE       MET   1 -13.510   3.150 -17.619
    8   2HE   MET   1          2HE       MET   1 -13.081   1.735 -16.628
    9   3HE   MET   1          3HE       MET   1 -14.465   1.653 -17.731
   10    H    SER   2           H        SER   2 -13.923   7.958 -13.615
   11    HA   SER   2           HA       SER   2 -13.820  10.076 -15.634
   12   1HB   SER   2          2HB       SER   2 -16.117  10.207 -14.455
   13   2HB   SER   2          3HB       SER   2 -15.222  10.757 -13.032
   14    HG   SER   2           HG       SER   2 -15.672  11.967 -15.503
   15    H    LEU   3           H        LEU   3 -11.615   9.059 -15.070
   16    HA   LEU   3           HA       LEU   3 -10.223  10.161 -12.753
   17   1HB   LEU   3          2HB       LEU   3  -9.199   8.926 -15.344
   18   2HB   LEU   3          3HB       LEU   3  -8.202   9.319 -13.946
   19    HG   LEU   3           HG       LEU   3 -10.431   7.241 -13.989
   20   1HD1  LEU   3          1HD1      LEU   3  -8.412   6.580 -15.246
   21   2HD1  LEU   3          2HD1      LEU   3  -7.402   6.948 -13.827
   22   3HD1  LEU   3          3HD1      LEU   3  -8.592   5.632 -13.761
   23   1HD2  LEU   3          1HD2      LEU   3  -8.485   8.005 -11.761
   24   2HD2  LEU   3          2HD2      LEU   3 -10.255   8.201 -11.729
   25   3HD2  LEU   3          3HD2      LEU   3  -9.552   6.586 -11.757
   26    H    ARG   4           H        ARG   4  -8.012  11.374 -13.502
   27    HA   ARG   4           HA       ARG   4  -8.760  13.753 -15.138
   28   1HB   ARG   4          2HB       ARG   4  -7.675  13.725 -12.275
   29   2HB   ARG   4          3HB       ARG   4  -7.814  15.174 -13.263
   30   1HG   ARG   4          2HG       ARG   4 -10.156  13.443 -12.354
   31   2HG   ARG   4          3HG       ARG   4  -9.649  14.962 -11.627
   32   1HD   ARG   4          2HD       ARG   4 -10.179  16.204 -13.645
   33   2HD   ARG   4          3HD       ARG   4 -10.537  14.731 -14.537
   34    HE   ARG   4           HE       ARG   4 -12.184  15.961 -12.399
   35   1HH1  ARG   4          1HH2      ARG   4 -11.922  13.219 -14.660
   36   2HH1  ARG   4          2HH2      ARG   4 -13.635  12.907 -14.527
   37   1HH2  ARG   4          1HH1      ARG   4 -14.381  15.357 -12.321
   38   2HH2  ARG   4          2HH1      ARG   4 -14.911  14.017 -13.314
   39    H    LYS   5           H        LYS   5  -6.715  15.270 -15.159
   40    HA   LYS   5           HA       LYS   5  -4.554  13.902 -16.504
   41   1HB   LYS   5          2HB       LYS   5  -5.189  16.699 -15.653
   42   2HB   LYS   5          3HB       LYS   5  -3.479  16.300 -15.667
   43   1HG   LYS   5          2HG       LYS   5  -5.246  15.792 -18.085
   44   2HG   LYS   5          3HG       LYS   5  -4.400  17.321 -17.791
   45   1HD   LYS   5          2HD       LYS   5  -2.230  16.078 -17.641
   46   2HD   LYS   5          3HD       LYS   5  -3.078  14.586 -18.094
   47   1HE   LYS   5          2HE       LYS   5  -3.779  15.618 -20.225
   48   2HE   LYS   5          3HE       LYS   5  -3.008  17.142 -19.755
   49   1HZ   LYS   5          1HZ       LYS   5  -0.881  15.987 -19.715
   50   2HZ   LYS   5          2HZ       LYS   5  -1.589  14.573 -20.160
   51   3HZ   LYS   5          3HZ       LYS   5  -1.571  15.846 -21.201
   52    H    LEU   6           H        LEU   6  -3.321  12.529 -15.499
   53    HA   LEU   6           HA       LEU   6  -3.174  12.375 -12.661
   54   1HB   LEU   6          2HB       LEU   6  -1.573  10.883 -14.774
   55   2HB   LEU   6          3HB       LEU   6  -1.650  10.460 -13.067
   56    HG   LEU   6           HG       LEU   6  -3.990  10.398 -15.020
   57   1HD1  LEU   6          1HD1      LEU   6  -2.315   8.621 -15.379
   58   2HD1  LEU   6          2HD1      LEU   6  -2.434   8.156 -13.667
   59   3HD1  LEU   6          3HD1      LEU   6  -3.833   7.963 -14.746
   60   1HD2  LEU   6          1HD2      LEU   6  -3.856   9.574 -12.082
   61   2HD2  LEU   6          2HD2      LEU   6  -4.843  10.888 -12.769
   62   3HD2  LEU   6          3HD2      LEU   6  -5.201   9.214 -13.187
   63    H    THR   7           H        THR   7  -2.112  13.716 -11.444
   64    HA   THR   7           HA       THR   7   0.792  14.193 -11.924
   65    HB   THR   7           HB       THR   7  -0.507  16.109 -12.793
   66    HG1  THR   7           1HG      THR   7   0.671  17.640 -11.631
   67   1HG2  THR   7          1HG2      THR   7  -2.441  16.122 -11.253
   68   2HG2  THR   7          2HG2      THR   7  -1.376  16.572  -9.906
   69   3HG2  THR   7          3HG2      THR   7  -1.608  17.680 -11.273
   70    H    GLU   8           H        GLU   8   1.304  15.700  -9.741
   71    HA   GLU   8           HA       GLU   8   1.824  13.890  -7.696
   72   1HB   GLU   8          2HB       GLU   8   3.047  15.842  -7.854
   73   2HB   GLU   8          3HB       GLU   8   1.653  16.894  -7.865
   74   1HG   GLU   8          2HG       GLU   8   2.050  15.313  -5.340
   75   2HG   GLU   8          3HG       GLU   8   3.310  16.467  -5.739
   76    H    GLY   9           H        GLY   9  -1.114  15.982  -7.822
   77   1HA   GLY   9          2HA       GLY   9  -2.243  15.124  -5.390
   78   2HA   GLY   9          3HA       GLY   9  -3.152  15.720  -6.785
   79    H    ASP  10           H        ASP  10  -2.970  13.751  -8.711
   80    HA   ASP  10           HA       ASP  10  -4.694  11.684  -7.782
   81   1HB   ASP  10          2HB       ASP  10  -2.933  11.433 -10.233
   82   2HB   ASP  10          3HB       ASP  10  -4.555  10.808  -9.965
   83    H    LEU  11           H        LEU  11  -1.195  11.820  -8.386
   84    HA   LEU  11           HA       LEU  11  -0.615   9.065  -7.800
   85   1HB   LEU  11          2HB       LEU  11   0.995  11.582  -8.131
   86   2HB   LEU  11          3HB       LEU  11   1.761  10.151  -7.503
   87    HG   LEU  11           HG       LEU  11   1.350   8.895  -9.485
   88   1HD1  LEU  11          1HD1      LEU  11  -0.883   9.571 -10.209
   89   2HD1  LEU  11          2HD1      LEU  11  -0.245  11.146 -10.733
   90   3HD1  LEU  11          3HD1      LEU  11   0.288   9.655 -11.526
   91   1HD2  LEU  11          1HD2      LEU  11   2.217  11.682 -10.325
   92   2HD2  LEU  11          2HD2      LEU  11   3.251  10.468  -9.538
   93   3HD2  LEU  11          3HD2      LEU  11   2.603  10.157 -11.156
   94    H    ASP  12           H        ASP  12  -0.664  11.977  -5.611
   95    HA   ASP  12           HA       ASP  12   0.025  10.382  -3.293
   96   1HB   ASP  12          2HB       ASP  12   0.227  12.819  -3.272
   97   2HB   ASP  12          3HB       ASP  12  -1.519  12.987  -3.484
   98    H    GLU  13           H        GLU  13  -3.211  11.351  -4.708
   99    HA   GLU  13           HA       GLU  13  -4.803  10.074  -2.766
  100   1HB   GLU  13          2HB       GLU  13  -5.187  10.462  -5.752
  101   2HB   GLU  13          3HB       GLU  13  -6.421   9.693  -4.768
  102   1HG   GLU  13          2HG       GLU  13  -5.343  12.419  -3.977
  103   2HG   GLU  13          3HG       GLU  13  -6.547  12.254  -5.252
  104    H    ILE  14           H        ILE  14  -3.269   8.545  -5.642
  105    HA   ILE  14           HA       ILE  14  -4.127   5.854  -4.944
  106    HB   ILE  14           HB       ILE  14  -1.927   6.977  -6.702
  107   1HG1  ILE  14          2HG1      ILE  14  -4.506   5.508  -7.438
  108   2HG1  ILE  14          3HG1      ILE  14  -4.395   7.259  -7.338
  109   1HG2  ILE  14          1HG2      ILE  14  -1.123   4.785  -5.991
  110   2HG2  ILE  14          2HG2      ILE  14  -2.705   4.048  -6.332
  111   3HG2  ILE  14          3HG2      ILE  14  -1.673   4.655  -7.647
  112   1HD1  ILE  14          1HD1      ILE  14  -2.625   7.246  -9.103
  113   2HD1  ILE  14          2HD1      ILE  14  -2.901   5.497  -9.312
  114   3HD1  ILE  14          3HD1      ILE  14  -4.205   6.645  -9.639
  115    H    SER  15           H        SER  15  -1.019   7.630  -4.319
  116    HA   SER  15           HA       SER  15   0.294   5.356  -3.174
  117   1HB   SER  15          2HB       SER  15   0.877   8.303  -2.675
  118   2HB   SER  15          3HB       SER  15   1.972   6.939  -2.383
  119    HG   SER  15           HG       SER  15   0.975   7.956  -4.831
  120    H    SER  16           H        SER  16  -1.413   8.086  -1.636
  121    HA   SER  16           HA       SER  16  -1.082   7.173   1.072
  122   1HB   SER  16          2HB       SER  16  -2.910   9.216  -0.236
  123   2HB   SER  16          3HB       SER  16  -2.944   8.835   1.494
  124    HG   SER  16           HG       SER  16  -1.024  10.322   0.064
  125    H    PHE  17           H        PHE  17  -3.648   6.553  -1.434
  126    HA   PHE  17           HA       PHE  17  -5.354   5.025   0.307
  127   1HB   PHE  17          2HB       PHE  17  -6.256   5.620  -1.785
  128   2HB   PHE  17          3HB       PHE  17  -4.844   5.079  -2.669
  129    HD1  PHE  17           HD1      PHE  17  -4.744   2.955  -3.670
  130    HD2  PHE  17           HD2      PHE  17  -7.690   3.749  -0.618
  131    HE1  PHE  17           HE1      PHE  17  -5.786   0.739  -4.093
  132    HE2  PHE  17           HE2      PHE  17  -8.724   1.531  -1.048
  133    HZ   PHE  17           HZ       PHE  17  -7.769   0.027  -2.785
  134    H    LEU  18           H        LEU  18  -2.496   4.031  -1.656
  135    HA   LEU  18           HA       LEU  18  -2.611   1.270  -0.861
  136   1HB   LEU  18          2HB       LEU  18  -0.308   3.008  -1.832
  137   2HB   LEU  18          3HB       LEU  18  -0.195   1.263  -1.633
  138    HG   LEU  18           HG       LEU  18  -2.300   2.540  -3.427
  139   1HD1  LEU  18          1HD1      LEU  18  -0.097   3.279  -4.199
  140   2HD1  LEU  18          2HD1      LEU  18   0.490   1.608  -4.199
  141   3HD1  LEU  18          3HD1      LEU  18  -0.801   2.112  -5.318
  142   1HD2  LEU  18          1HD2      LEU  18  -1.114  -0.248  -3.498
  143   2HD2  LEU  18          2HD2      LEU  18  -2.661   0.167  -2.727
  144   3HD2  LEU  18          3HD2      LEU  18  -2.460   0.412  -4.449
  145    H    HIS  19           H        HIS  19  -0.745   4.034   0.523
  146    HA   HIS  19           HA       HIS  19   0.472   2.571   2.630
  147   1HB   HIS  19          2HB       HIS  19   1.154   4.824   2.037
  148   2HB   HIS  19          3HB       HIS  19  -0.434   5.464   2.455
  149    HD1  HIS  19           HD1      HIS  19   0.626   7.111   4.265
  150    HD2  HIS  19           HD2      HIS  19   1.239   3.012   4.944
  151    HE1  HIS  19           HE1      HIS  19   1.478   6.880   6.667
  152    H    ASN  20           H        ASN  20  -2.718   4.329   2.657
  153    HA   ASN  20           HA       ASN  20  -3.388   3.486   5.295
  154   1HB   ASN  20          2HB       ASN  20  -4.569   5.173   3.492
  155   2HB   ASN  20          3HB       ASN  20  -5.662   3.792   3.378
  156   1HD2  ASN  20          2HD2      ASN  20  -6.568   2.954   5.689
  157   2HD2  ASN  20          1HD2      ASN  20  -6.694   4.239   6.862
  158    H    THR  21           H        THR  21  -3.965   1.873   2.133
  159    HA   THR  21           HA       THR  21  -5.557  -0.265   3.079
  160    HB   THR  21           HB       THR  21  -3.533  -0.257   0.794
  161    HG1  THR  21           1HG      THR  21  -5.085   1.299   0.495
  162   1HG2  THR  21          1HG2      THR  21  -4.138  -2.581   1.234
  163   2HG2  THR  21          2HG2      THR  21  -5.860  -2.142   1.333
  164   3HG2  THR  21          3HG2      THR  21  -4.987  -2.017  -0.209
  165    H    ILE  22           H        ILE  22  -1.951  -0.096   2.841
  166    HA   ILE  22           HA       ILE  22  -1.547  -2.725   3.994
  167    HB   ILE  22           HB       ILE  22   0.284  -0.306   3.859
  168   1HG1  ILE  22          2HG1      ILE  22  -0.016  -2.762   2.083
  169   2HG1  ILE  22          3HG1      ILE  22  -0.432  -1.108   1.663
  170   1HG2  ILE  22          1HG2      ILE  22   0.999  -2.073   5.602
  171   2HG2  ILE  22          2HG2      ILE  22   1.144  -3.206   4.245
  172   3HG2  ILE  22          3HG2      ILE  22   2.160  -1.780   4.317
  173   1HD1  ILE  22          1HD1      ILE  22   2.074  -0.571   2.156
  174   2HD1  ILE  22          2HD1      ILE  22   2.274  -2.337   1.962
  175   3HD1  ILE  22          3HD1      ILE  22   1.543  -1.363   0.640
  176    H    SER  23           H        SER  23  -1.598   0.590   5.437
  177    HA   SER  23           HA       SER  23  -0.966  -0.203   8.089
  178   1HB   SER  23          2HB       SER  23  -1.049   2.150   7.183
  179   2HB   SER  23          3HB       SER  23  -2.820   2.065   7.265
  180    HG   SER  23           HG       SER  23  -0.928   1.966   9.368
  181    H    ASP  24           H        ASP  24  -4.208   0.154   6.544
  182    HA   ASP  24           HA       ASP  24  -5.756  -0.801   8.738
  183   1HB   ASP  24          2HB       ASP  24  -6.264  -0.915   5.728
  184   2HB   ASP  24          3HB       ASP  24  -7.468  -1.272   6.964
  185    H    PHE  25           H        PHE  25  -4.212  -2.605   5.969
  186    HA   PHE  25           HA       PHE  25  -5.331  -5.111   6.704
  187   1HB   PHE  25          2HB       PHE  25  -4.207  -4.547   4.530
  188   2HB   PHE  25          3HB       PHE  25  -2.657  -4.633   5.344
  189    HD1  PHE  25           HD1      PHE  25  -5.106  -6.436   3.497
  190    HD2  PHE  25           HD2      PHE  25  -2.072  -6.955   6.518
  191    HE1  PHE  25           HE1      PHE  25  -5.059  -8.869   3.042
  192    HE2  PHE  25           HE2      PHE  25  -1.983  -9.370   6.016
  193    HZ   PHE  25           HZ       PHE  25  -3.500 -10.341   4.282
  194    H    ILE  26           H        ILE  26  -2.193  -3.592   7.676
  195    HA   ILE  26           HA       ILE  26  -1.301  -5.720   9.339
  196    HB   ILE  26           HB       ILE  26  -0.766  -2.732   9.174
  197   1HG1  ILE  26          2HG1      ILE  26   0.967  -5.175   8.538
  198   2HG1  ILE  26          3HG1      ILE  26   0.058  -4.255   7.346
  199   1HG2  ILE  26          1HG2      ILE  26  -0.454  -3.370  11.513
  200   2HG2  ILE  26          2HG2      ILE  26   0.599  -4.719  11.022
  201   3HG2  ILE  26          3HG2      ILE  26   1.078  -3.020  10.751
  202   1HD1  ILE  26          1HD1      ILE  26   1.389  -2.196   8.022
  203   2HD1  ILE  26          2HD1      ILE  26   2.443  -3.287   8.955
  204   3HD1  ILE  26          3HD1      ILE  26   2.297  -3.483   7.207
  205    H    LEU  27           H        LEU  27  -3.144  -2.691  10.182
  206    HA   LEU  27           HA       LEU  27  -3.529  -3.422  12.907
  207   1HB   LEU  27          2HB       LEU  27  -4.751  -1.441  11.001
  208   2HB   LEU  27          3HB       LEU  27  -5.648  -1.814  12.459
  209    HG   LEU  27           HG       LEU  27  -3.852  -1.152  13.901
  210   1HD1  LEU  27          1HD1      LEU  27  -1.844  -1.753  12.622
  211   2HD1  LEU  27          2HD1      LEU  27  -2.209  -0.485  11.427
  212   3HD1  LEU  27          3HD1      LEU  27  -1.794  -0.054  13.095
  213   1HD2  LEU  27          1HD2      LEU  27  -4.313   0.920  11.719
  214   2HD2  LEU  27          2HD2      LEU  27  -5.419   0.566  13.065
  215   3HD2  LEU  27          3HD2      LEU  27  -3.817   1.253  13.393
  216    H    LYS  28           H        LYS  28  -5.554  -4.356  10.053
  217    HA   LYS  28           HA       LYS  28  -7.423  -5.701  11.821
  218   1HB   LYS  28          2HB       LYS  28  -8.715  -6.038  10.035
  219   2HB   LYS  28          3HB       LYS  28  -7.835  -4.650   9.457
  220   1HG   LYS  28          2HG       LYS  28  -6.878  -5.705   7.770
  221   2HG   LYS  28          3HG       LYS  28  -6.575  -7.210   8.607
  222   1HD   LYS  28          2HD       LYS  28  -9.154  -6.268   7.318
  223   2HD   LYS  28          3HD       LYS  28  -8.103  -7.573   6.772
  224   1HE   LYS  28          2HE       LYS  28  -9.777  -7.513   9.312
  225   2HE   LYS  28          3HE       LYS  28 -10.123  -8.451   7.850
  226   1HZ   LYS  28          1HZ       LYS  28  -7.978  -9.621   8.290
  227   2HZ   LYS  28          2HZ       LYS  28  -7.867  -8.824   9.736
  228   3HZ   LYS  28          3HZ       LYS  28  -9.103  -9.863   9.475
  229    H    ARG  29           H        ARG  29  -4.300  -6.564  11.012
  230    HA   ARG  29           HA       ARG  29  -4.918  -9.471  11.398
  231   1HB   ARG  29          2HB       ARG  29  -3.981  -8.522   9.161
  232   2HB   ARG  29          3HB       ARG  29  -2.471  -8.307  10.042
  233   1HG   ARG  29          2HG       ARG  29  -2.331 -10.342   8.858
  234   2HG   ARG  29          3HG       ARG  29  -2.566 -10.808  10.550
  235   1HD   ARG  29          2HD       ARG  29  -4.912 -11.320  10.136
  236   2HD   ARG  29          3HD       ARG  29  -4.790 -10.717   8.477
  237    HE   ARG  29           HE       ARG  29  -3.664 -13.233   9.575
  238   1HH1  ARG  29          1HH2      ARG  29  -3.844 -11.150   6.715
  239   2HH1  ARG  29          2HH2      ARG  29  -3.083 -12.388   5.706
  240   1HH2  ARG  29          1HH1      ARG  29  -2.508 -14.627   8.213
  241   2HH2  ARG  29          2HH1      ARG  29  -2.096 -14.080   6.601
  242    H    VAL  30           H        VAL  30  -2.794  -6.856  12.575
  243    HA   VAL  30           HA       VAL  30  -2.471  -8.373  15.073
  244    HB   VAL  30           HB       VAL  30  -0.536  -9.052  13.740
  245   1HG1  VAL  30          1HG1      VAL  30  -0.237  -7.038  12.313
  246   2HG1  VAL  30          2HG1      VAL  30   0.336  -6.145  13.737
  247   3HG1  VAL  30          3HG1      VAL  30   1.257  -7.530  13.126
  248   1HG2  VAL  30          1HG2      VAL  30   0.306  -7.239  16.023
  249   2HG2  VAL  30          2HG2      VAL  30  -0.329  -8.893  16.182
  250   3HG2  VAL  30          3HG2      VAL  30   1.203  -8.614  15.351
  251    H    SER  31           H        SER  31  -2.034  -6.968  16.918
  252    HA   SER  31           HA       SER  31  -3.522  -4.514  16.528
  253   1HB   SER  31          2HB       SER  31  -3.903  -5.957  18.463
  254   2HB   SER  31          3HB       SER  31  -2.243  -5.667  19.020
  255    HG   SER  31           HG       SER  31  -3.909  -4.335  19.970
  256    H    ALA  32           H        ALA  32  -2.896  -2.470  16.544
  257    HA   ALA  32           HA       ALA  32  -0.315  -1.435  16.322
  258   1HB   ALA  32          1HB       ALA  32  -2.361  -0.215  15.752
  259   2HB   ALA  32          2HB       ALA  32  -2.814  -0.138  17.473
  260   3HB   ALA  32          3HB       ALA  32  -1.365   0.710  16.888
  261    H    LYS  33           H        LYS  33  -1.920  -2.572  19.261
  262    HA   LYS  33           HA       LYS  33   0.051  -1.260  21.048
  263   1HB   LYS  33          2HB       LYS  33  -2.232  -3.206  21.586
  264   2HB   LYS  33          3HB       LYS  33  -1.153  -2.557  22.831
  265   1HG   LYS  33          2HG       LYS  33  -1.813  -0.246  22.238
  266   2HG   LYS  33          3HG       LYS  33  -2.931  -0.874  21.014
  267   1HD   LYS  33          2HD       LYS  33  -4.242  -2.024  22.760
  268   2HD   LYS  33          3HD       LYS  33  -3.075  -1.517  23.990
  269   1HE   LYS  33          2HE       LYS  33  -5.011  -0.065  24.098
  270   2HE   LYS  33          3HE       LYS  33  -3.596   0.852  23.567
  271   1HZ   LYS  33          1HZ       LYS  33  -4.403   0.657  21.294
  272   2HZ   LYS  33          2HZ       LYS  33  -5.720  -0.195  21.785
  273   3HZ   LYS  33          3HZ       LYS  33  -5.541   1.379  22.235
  274    H    GLU  34           H        GLU  34   0.128  -4.041  19.109
  275    HA   GLU  34           HA       GLU  34   2.255  -5.346  20.761
  276   1HB   GLU  34          2HB       GLU  34   0.901  -6.228  18.174
  277   2HB   GLU  34          3HB       GLU  34   2.045  -7.170  19.120
  278   1HG   GLU  34          2HG       GLU  34   0.484  -7.388  20.957
  279   2HG   GLU  34          3HG       GLU  34  -0.641  -6.249  20.232
  280    H    ILE  35           H        ILE  35   1.778  -3.064  18.329
  281    HA   ILE  35           HA       ILE  35   4.263  -3.501  16.798
  282    HB   ILE  35           HB       ILE  35   1.794  -1.777  16.504
  283   1HG1  ILE  35          2HG1      ILE  35   3.024  -3.949  14.761
  284   2HG1  ILE  35          3HG1      ILE  35   1.672  -4.191  15.852
  285   1HG2  ILE  35          1HG2      ILE  35   3.649  -0.364  15.764
  286   2HG2  ILE  35          2HG2      ILE  35   4.224  -1.667  14.687
  287   3HG2  ILE  35          3HG2      ILE  35   2.658  -0.857  14.418
  288   1HD1  ILE  35          1HD1      ILE  35   0.334  -2.520  14.511
  289   2HD1  ILE  35          2HD1      ILE  35   1.661  -2.507  13.322
  290   3HD1  ILE  35          3HD1      ILE  35   0.779  -3.995  13.648
  291    H    VAL  36           H        VAL  36   6.040  -2.369  17.101
  292    HA   VAL  36           HA       VAL  36   6.236  -0.162  19.065
  293    HB   VAL  36           HB       VAL  36   8.207  -1.570  17.215
  294   1HG1  VAL  36          1HG1      VAL  36   8.929   0.740  17.217
  295   2HG1  VAL  36          2HG1      VAL  36   8.738   0.845  18.986
  296   3HG1  VAL  36          3HG1      VAL  36   9.993  -0.196  18.272
  297   1HG2  VAL  36          1HG2      VAL  36   8.108  -1.302  20.251
  298   2HG2  VAL  36          2HG2      VAL  36   7.514  -2.696  19.335
  299   3HG2  VAL  36          3HG2      VAL  36   9.238  -2.294  19.297
  300    H    ASP  37           H        ASP  37   6.644  -0.651  15.506
  301    HA   ASP  37           HA       ASP  37   5.075   1.635  14.906
  302   1HB   ASP  37          2HB       ASP  37   7.551   2.542  15.584
  303   2HB   ASP  37          3HB       ASP  37   7.856   2.180  13.898
  304    H    ILE  38           H        ILE  38   5.404   2.239  12.441
  305    HA   ILE  38           HA       ILE  38   6.191  -0.126  10.799
  306    HB   ILE  38           HB       ILE  38   4.275   0.329   9.256
  307   1HG1  ILE  38          2HG1      ILE  38   3.093   1.903  11.591
  308   2HG1  ILE  38          3HG1      ILE  38   3.591   2.565  10.035
  309   1HG2  ILE  38          1HG2      ILE  38   4.383  -1.579  10.820
  310   2HG2  ILE  38          2HG2      ILE  38   3.444  -0.655  12.007
  311   3HG2  ILE  38          3HG2      ILE  38   2.736  -1.101  10.431
  312   1HD1  ILE  38          1HD1      ILE  38   1.860   1.101   8.921
  313   2HD1  ILE  38          2HD1      ILE  38   1.269   0.672  10.544
  314   3HD1  ILE  38          3HD1      ILE  38   1.215   2.354  10.000
  315    H    ASP  39           H        ASP  39   7.154   0.321   8.901
  316    HA   ASP  39           HA       ASP  39   7.439   3.200   8.076
  317   1HB   ASP  39          2HB       ASP  39   9.446   0.926   7.928
  318   2HB   ASP  39          3HB       ASP  39   9.512   2.290   6.829
  319    H    ILE  40           H        ILE  40   6.236   3.540   6.276
  320    HA   ILE  40           HA       ILE  40   6.235   1.427   4.173
  321    HB   ILE  40           HB       ILE  40   3.803   2.890   5.239
  322   1HG1  ILE  40          2HG1      ILE  40   4.082  -0.046   4.532
  323   2HG1  ILE  40          3HG1      ILE  40   4.666   0.526   6.099
  324   1HG2  ILE  40          1HG2      ILE  40   3.694   3.094   2.793
  325   2HG2  ILE  40          2HG2      ILE  40   4.172   1.386   2.597
  326   3HG2  ILE  40          3HG2      ILE  40   2.592   1.807   3.277
  327   1HD1  ILE  40          1HD1      ILE  40   2.405   1.352   6.634
  328   2HD1  ILE  40          2HD1      ILE  40   1.834   0.639   5.099
  329   3HD1  ILE  40          3HD1      ILE  40   2.531  -0.405   6.361
  330    H    THR  41           H        THR  41   7.064   2.145   2.419
  331    HA   THR  41           HA       THR  41   6.950   5.065   1.777
  332    HB   THR  41           HB       THR  41   9.209   3.215   0.955
  333    HG1  THR  41           1HG      THR  41   9.014   3.588   3.267
  334   1HG2  THR  41          1HG2      THR  41   8.795   5.359  -0.352
  335   2HG2  THR  41          2HG2      THR  41   9.014   6.259   1.159
  336   3HG2  THR  41          3HG2      THR  41  10.360   5.317   0.485
  337    H    VAL  42           H        VAL  42   5.694   5.379   0.127
  338    HA   VAL  42           HA       VAL  42   5.237   3.286  -1.942
  339    HB   VAL  42           HB       VAL  42   3.078   4.726  -2.215
  340   1HG1  VAL  42          1HG1      VAL  42   3.077   2.396  -1.536
  341   2HG1  VAL  42          2HG1      VAL  42   3.452   2.842   0.145
  342   3HG1  VAL  42          3HG1      VAL  42   1.891   3.297  -0.578
  343   1HG2  VAL  42          1HG2      VAL  42   3.589   5.316   0.740
  344   2HG2  VAL  42          2HG2      VAL  42   3.674   6.528  -0.563
  345   3HG2  VAL  42          3HG2      VAL  42   2.154   5.716  -0.197
  346    H    LEU  43           H        LEU  43   6.103   3.775  -3.832
  347    HA   LEU  43           HA       LEU  43   6.599   6.660  -4.510
  348   1HB   LEU  43          2HB       LEU  43   8.259   4.268  -5.395
  349   2HB   LEU  43          3HB       LEU  43   8.493   5.934  -5.842
  350    HG   LEU  43           HG       LEU  43  10.176   5.534  -4.379
  351   1HD1  LEU  43          1HD1      LEU  43   8.987   7.626  -3.815
  352   2HD1  LEU  43          2HD1      LEU  43   8.104   6.764  -2.536
  353   3HD1  LEU  43          3HD1      LEU  43   9.864   6.931  -2.440
  354   1HD2  LEU  43          1HD2      LEU  43   8.331   4.198  -2.368
  355   2HD2  LEU  43          2HD2      LEU  43   9.446   3.372  -3.465
  356   3HD2  LEU  43          3HD2      LEU  43  10.083   4.442  -2.215
  357    H    VAL  44           H        VAL  44   5.946   7.309  -6.500
  358    HA   VAL  44           HA       VAL  44   5.194   5.321  -8.512
  359    HB   VAL  44           HB       VAL  44   3.102   5.615  -7.357
  360   1HG1  VAL  44          1HG1      VAL  44   3.402   7.807  -6.326
  361   2HG1  VAL  44          2HG1      VAL  44   3.366   8.586  -7.919
  362   3HG1  VAL  44          3HG1      VAL  44   1.918   7.762  -7.275
  363   1HG2  VAL  44          1HG2      VAL  44   3.017   7.085 -10.020
  364   2HG2  VAL  44          2HG2      VAL  44   3.052   5.320  -9.803
  365   3HG2  VAL  44          3HG2      VAL  44   1.674   6.257  -9.208
  366    H    GLU  45           H        GLU  45   5.511   5.984 -10.558
  367    HA   GLU  45           HA       GLU  45   6.696   8.680 -11.047
  368   1HB   GLU  45          2HB       GLU  45   8.455   7.131 -10.272
  369   2HB   GLU  45          3HB       GLU  45   7.956   5.925 -11.453
  370   1HG   GLU  45          2HG       GLU  45  10.019   7.050 -12.119
  371   2HG   GLU  45          3HG       GLU  45   8.740   7.314 -13.293
  372    H    TYR  46           H        TYR  46   6.901   9.186 -13.288
  373    HA   TYR  46           HA       TYR  46   5.562   7.386 -15.206
  374   1HB   TYR  46          2HB       TYR  46   3.905   9.186 -14.429
  375   2HB   TYR  46          3HB       TYR  46   4.904  10.342 -15.311
  376    HD1  TYR  46           HD1      TYR  46   2.185   8.091 -15.553
  377    HD2  TYR  46           HD2      TYR  46   5.542   9.554 -17.829
  378    HE1  TYR  46           HE1      TYR  46   1.327   6.930 -17.572
  379    HE2  TYR  46           HE2      TYR  46   4.741   8.299 -19.810
  380    HH   TYR  46           HH       TYR  46   3.508   6.401 -20.329
  381    H    THR  47           H        THR  47   7.346   6.826 -16.245
  382    HA   THR  47           HA       THR  47   8.952   8.944 -17.611
  383    HB   THR  47           HB       THR  47  10.169   6.608 -16.101
  384    HG1  THR  47           1HG      THR  47   9.510   8.831 -15.145
  385   1HG2  THR  47          1HG2      THR  47  11.437   7.010 -18.195
  386   2HG2  THR  47          2HG2      THR  47  11.466   8.755 -17.851
  387   3HG2  THR  47          3HG2      THR  47  12.339   7.621 -16.800
  388    H    ASP  48           H        ASP  48   7.568   8.511 -19.273
  389    HA   ASP  48           HA       ASP  48   6.677   7.653 -21.127
  390   1HB   ASP  48          2HB       ASP  48   9.073   7.122 -21.691
  391   2HB   ASP  48          3HB       ASP  48   8.771   5.467 -21.147
  392    H    GLU  49           H        GLU  49   7.542   5.071 -18.886
  393    HA   GLU  49           HA       GLU  49   4.871   3.764 -19.064
  394   1HB   GLU  49          2HB       GLU  49   7.372   3.101 -17.460
  395   2HB   GLU  49          3HB       GLU  49   5.940   2.088 -17.588
  396   1HG   GLU  49          2HG       GLU  49   6.433   1.595 -19.922
  397   2HG   GLU  49          3HG       GLU  49   7.779   2.752 -19.933
  398    H    LEU  50           H        LEU  50   3.525   3.697 -17.239
  399    HA   LEU  50           HA       LEU  50   4.035   5.509 -14.952
  400   1HB   LEU  50          2HB       LEU  50   1.781   5.203 -16.189
  401   2HB   LEU  50          3HB       LEU  50   1.671   3.635 -15.423
  402    HG   LEU  50           HG       LEU  50   1.828   6.335 -13.995
  403   1HD1  LEU  50          1HD1      LEU  50  -0.284   5.942 -15.226
  404   2HD1  LEU  50          2HD1      LEU  50  -0.498   4.399 -14.365
  405   3HD1  LEU  50          3HD1      LEU  50  -0.539   5.938 -13.477
  406   1HD2  LEU  50          1HD2      LEU  50   1.486   3.526 -12.854
  407   2HD2  LEU  50          2HD2      LEU  50   2.711   4.749 -12.426
  408   3HD2  LEU  50          3HD2      LEU  50   1.037   5.005 -11.977
  409    H    LYS  51           H        LYS  51   5.129   4.675 -13.202
  410    HA   LYS  51           HA       LYS  51   5.015   1.724 -12.686
  411   1HB   LYS  51          2HB       LYS  51   7.508   3.435 -13.015
  412   2HB   LYS  51          3HB       LYS  51   7.517   1.853 -12.214
  413   1HG   LYS  51          2HG       LYS  51   6.615   0.768 -14.221
  414   2HG   LYS  51          3HG       LYS  51   6.537   2.309 -15.072
  415   1HD   LYS  51          2HD       LYS  51   9.119   1.022 -14.107
  416   2HD   LYS  51          3HD       LYS  51   8.436   0.898 -15.736
  417   1HE   LYS  51          2HE       LYS  51   8.402   3.502 -15.708
  418   2HE   LYS  51          3HE       LYS  51   9.521   3.373 -14.343
  419   1HZ   LYS  51          1HZ       LYS  51  10.995   2.083 -15.811
  420   2HZ   LYS  51          2HZ       LYS  51   9.907   2.160 -17.036
  421   3HZ   LYS  51          3HZ       LYS  51  10.644   3.536 -16.533
  422    H    VAL  52           H        VAL  52   5.433   1.062 -10.584
  423    HA   VAL  52           HA       VAL  52   5.257   3.104  -8.457
  424    HB   VAL  52           HB       VAL  52   2.969   2.563  -9.053
  425   1HG1  VAL  52          1HG1      VAL  52   3.243   0.338 -10.064
  426   2HG1  VAL  52          2HG1      VAL  52   3.607  -0.356  -8.465
  427   3HG1  VAL  52          3HG1      VAL  52   2.007   0.323  -8.808
  428   1HG2  VAL  52          1HG2      VAL  52   3.602   1.181  -6.412
  429   2HG2  VAL  52          2HG2      VAL  52   3.392   2.933  -6.647
  430   3HG2  VAL  52          3HG2      VAL  52   2.044   1.830  -6.927
  431    H    ASP  53           H        ASP  53   6.007   2.463  -6.456
  432    HA   ASP  53           HA       ASP  53   6.911  -0.341  -6.082
  433   1HB   ASP  53          2HB       ASP  53   8.988   0.966  -6.493
  434   2HB   ASP  53          3HB       ASP  53   8.537   2.078  -5.196
  435    H    ILE  54           H        ILE  54   6.445  -1.110  -4.109
  436    HA   ILE  54           HA       ILE  54   5.414   0.731  -2.014
  437    HB   ILE  54           HB       ILE  54   4.209  -1.978  -2.663
  438   1HG1  ILE  54          2HG1      ILE  54   3.041   0.758  -3.305
  439   2HG1  ILE  54          3HG1      ILE  54   3.550  -0.467  -4.470
  440   1HG2  ILE  54          1HG2      ILE  54   4.227  -1.067  -0.255
  441   2HG2  ILE  54          2HG2      ILE  54   3.084   0.155  -0.843
  442   3HG2  ILE  54          3HG2      ILE  54   2.716  -1.587  -0.994
  443   1HD1  ILE  54          1HD1      ILE  54   1.837  -2.039  -3.541
  444   2HD1  ILE  54          2HD1      ILE  54   1.235  -0.722  -2.508
  445   3HD1  ILE  54          3HD1      ILE  54   1.176  -0.577  -4.296
  446    H    SER  55           H        SER  55   7.010   0.642  -0.608
  447    HA   SER  55           HA       SER  55   8.274  -2.003   0.067
  448   1HB   SER  55          2HB       SER  55   9.368   0.841  -0.080
  449   2HB   SER  55          3HB       SER  55  10.213  -0.504   0.703
  450    HG   SER  55           HG       SER  55   9.601  -0.177  -2.118
  451    H    ALA  56           H        ALA  56   7.795  -2.674   2.113
  452    HA   ALA  56           HA       ALA  56   7.042  -0.663   4.161
  453   1HB   ALA  56          1HB       ALA  56   4.994  -1.625   3.124
  454   2HB   ALA  56          2HB       ALA  56   5.539  -3.246   3.622
  455   3HB   ALA  56          3HB       ALA  56   5.139  -2.020   4.846
  456    H    GLU  57           H        GLU  57   7.344  -1.210   6.302
  457    HA   GLU  57           HA       GLU  57   8.492  -3.828   7.025
  458   1HB   GLU  57          2HB       GLU  57  10.080  -1.430   6.854
  459   2HB   GLU  57          3HB       GLU  57   9.848  -1.763   8.562
  460   1HG   GLU  57          2HG       GLU  57  10.873  -3.790   6.526
  461   2HG   GLU  57          3HG       GLU  57  11.896  -2.785   7.545
  462    H    LEU  58           H        LEU  58   8.202  -4.385   9.173
  463    HA   LEU  58           HA       LEU  58   6.078  -2.892  10.662
  464   1HB   LEU  58          2HB       LEU  58   4.937  -4.550   9.341
  465   2HB   LEU  58          3HB       LEU  58   6.116  -5.791   9.768
  466    HG   LEU  58           HG       LEU  58   5.312  -5.824  12.094
  467   1HD1  LEU  58          1HD1      LEU  58   4.521  -3.548  12.439
  468   2HD1  LEU  58          2HD1      LEU  58   3.311  -3.741  11.147
  469   3HD1  LEU  58          3HD1      LEU  58   3.168  -4.672  12.646
  470   1HD2  LEU  58          1HD2      LEU  58   3.040  -6.063  10.091
  471   2HD2  LEU  58          2HD2      LEU  58   4.296  -7.290  10.398
  472   3HD2  LEU  58          3HD2      LEU  58   3.155  -6.855  11.679
  473    H    TYR  59           H        TYR  59   7.169  -2.247  12.477
  474    HA   TYR  59           HA       TYR  59   9.085  -4.155  13.701
  475   1HB   TYR  59          2HB       TYR  59   8.486  -1.320  14.562
  476   2HB   TYR  59          3HB       TYR  59   9.874  -2.314  14.966
  477    HD1  TYR  59           HD1      TYR  59  11.154  -3.249  12.660
  478    HD2  TYR  59           HD2      TYR  59   8.801   0.356  12.980
  479    HE1  TYR  59           HE1      TYR  59  12.357  -2.274  10.717
  480    HE2  TYR  59           HE2      TYR  59  10.031   1.338  11.109
  481    HH   TYR  59           HH       TYR  59  11.633   1.080   9.506
  482    H    LEU  60           H        LEU  60   7.984  -5.669  14.759
  483    HA   LEU  60           HA       LEU  60   5.785  -5.026  16.622
  484   1HB   LEU  60          2HB       LEU  60   7.123  -7.581  15.673
  485   2HB   LEU  60          3HB       LEU  60   6.041  -7.582  17.062
  486    HG   LEU  60           HG       LEU  60   5.186  -6.498  14.347
  487   1HD1  LEU  60          1HD1      LEU  60   5.773  -8.877  14.121
  488   2HD1  LEU  60          2HD1      LEU  60   4.745  -9.274  15.518
  489   3HD1  LEU  60          3HD1      LEU  60   4.020  -8.635  14.020
  490   1HD2  LEU  60          1HD2      LEU  60   3.600  -7.412  16.796
  491   2HD2  LEU  60          2HD2      LEU  60   3.824  -5.743  16.284
  492   3HD2  LEU  60          3HD2      LEU  60   2.910  -6.843  15.253
  493    H    ASP  61           H        ASP  61   5.845  -5.462  18.826
  494    HA   ASP  61           HA       ASP  61   8.213  -4.611  20.194
  495   1HB   ASP  61          2HB       ASP  61   5.914  -4.354  21.060
  496   2HB   ASP  61          3HB       ASP  61   5.791  -6.111  21.259
  497    H    GLU  62           H        GLU  62   9.694  -5.687  21.535
  498    HA   GLU  62           HA       GLU  62  10.663  -8.174  20.492
  499   1HB   GLU  62          2HB       GLU  62  12.408  -7.976  22.184
  500   2HB   GLU  62          3HB       GLU  62  12.163  -6.467  21.310
  501   1HG   GLU  62          2HG       GLU  62  10.891  -5.538  23.222
  502   2HG   GLU  62          3HG       GLU  62  11.072  -7.064  24.097
  503    H    LEU  63           H        LEU  63   8.195  -7.667  22.841
  504    HA   LEU  63           HA       LEU  63   8.472 -10.439  23.871
  505   1HB   LEU  63          2HB       LEU  63   7.989  -8.257  25.243
  506   2HB   LEU  63          3HB       LEU  63   6.380  -8.366  24.560
  507    HG   LEU  63           HG       LEU  63   6.956 -10.980  25.602
  508   1HD1  LEU  63          1HD1      LEU  63   8.826  -9.976  26.866
  509   2HD1  LEU  63          2HD1      LEU  63   7.703  -8.810  27.599
  510   3HD1  LEU  63          3HD1      LEU  63   7.531 -10.548  27.936
  511   1HD2  LEU  63          1HD2      LEU  63   5.303  -8.724  26.814
  512   2HD2  LEU  63          2HD2      LEU  63   4.749  -9.891  25.592
  513   3HD2  LEU  63          3HD2      LEU  63   5.175 -10.456  27.216
  514    H    SER  64           H        SER  64   7.351  -9.278  21.042
  515    HA   SER  64           HA       SER  64   4.752 -10.761  21.052
  516   1HB   SER  64          2HB       SER  64   4.665  -8.336  20.631
  517   2HB   SER  64          3HB       SER  64   5.731  -8.535  19.228
  518    HG   SER  64           HG       SER  64   4.151  -9.558  18.158
  519    H    ASP  65           H        ASP  65   4.128 -12.003  19.258
  520    HA   ASP  65           HA       ASP  65   6.174 -13.078  17.415
  521   1HB   ASP  65          2HB       ASP  65   4.800 -14.623  19.644
  522   2HB   ASP  65          3HB       ASP  65   5.349 -15.407  18.165
  523    H    ALA  66           H        ALA  66   4.998 -12.281  15.743
  524    HA   ALA  66           HA       ALA  66   2.263 -13.330  15.241
  525   1HB   ALA  66          1HB       ALA  66   2.607 -10.846  15.230
  526   2HB   ALA  66          2HB       ALA  66   3.707 -11.057  13.841
  527   3HB   ALA  66          3HB       ALA  66   1.991 -11.493  13.707
  528    H    ASP  67           H        ASP  67   2.021 -13.389  12.552
  529    HA   ASP  67           HA       ASP  67   3.420 -15.790  11.996
  530   1HB   ASP  67          2HB       ASP  67   1.651 -14.155  10.128
  531   2HB   ASP  67          3HB       ASP  67   2.003 -15.875  10.011
  532    HA   PRO  68           HA       PRO  68   6.865 -14.292   9.660
  533   1HB   PRO  68          2HB       PRO  68   7.779 -16.564   8.456
  534   2HB   PRO  68          3HB       PRO  68   7.708 -16.368  10.226
  535   1HG   PRO  68          2HG       PRO  68   5.624 -17.682   8.444
  536   2HG   PRO  68          3HG       PRO  68   6.431 -18.377   9.891
  537   1HD   PRO  68          2HD       PRO  68   4.010 -17.173  10.078
  538   2HD   PRO  68          3HD       PRO  68   5.245 -16.954  11.354
  539    H    GLY  69           H        GLY  69   4.635 -13.435   8.468
  540   1HA   GLY  69          2HA       GLY  69   5.447 -12.631   5.869
  541   2HA   GLY  69          3HA       GLY  69   4.258 -13.923   5.672
  542    H    ILE  70           H        ILE  70   3.592 -12.094   8.538
  543    HA   ILE  70           HA       ILE  70   1.047 -11.468   7.668
  544    HB   ILE  70           HB       ILE  70   2.062 -11.846   9.969
  545   1HG1  ILE  70          2HG1      ILE  70   0.065  -9.573   9.782
  546   2HG1  ILE  70          3HG1      ILE  70  -0.293 -11.297   9.543
  547   1HG2  ILE  70          1HG2      ILE  70   3.798 -10.008   9.804
  548   2HG2  ILE  70          2HG2      ILE  70   2.463  -8.842  10.032
  549   3HG2  ILE  70          3HG2      ILE  70   2.865 -10.021  11.291
  550   1HD1  ILE  70          1HD1      ILE  70   0.580 -11.789  11.821
  551   2HD1  ILE  70          2HD1      ILE  70   0.785 -10.045  12.099
  552   3HD1  ILE  70          3HD1      ILE  70  -0.826 -10.715  11.852
  553    H    VAL  71           H        VAL  71   3.904  -9.399   7.543
  554    HA   VAL  71           HA       VAL  71   2.385  -7.100   6.519
  555    HB   VAL  71           HB       VAL  71   4.136  -6.616   8.010
  556   1HG1  VAL  71          1HG1      VAL  71   5.698  -8.500   7.692
  557   2HG1  VAL  71          2HG1      VAL  71   6.125  -7.883   6.077
  558   3HG1  VAL  71          3HG1      VAL  71   6.536  -6.957   7.527
  559   1HG2  VAL  71          1HG2      VAL  71   5.070  -5.714   5.265
  560   2HG2  VAL  71          2HG2      VAL  71   3.701  -5.016   6.152
  561   3HG2  VAL  71          3HG2      VAL  71   5.341  -4.904   6.818
  562    H    ASP  72           H        ASP  72   4.410  -9.720   5.185
  563    HA   ASP  72           HA       ASP  72   4.752  -8.611   2.556
  564   1HB   ASP  72          2HB       ASP  72   6.007 -10.556   3.503
  565   2HB   ASP  72          3HB       ASP  72   4.535 -11.526   3.420
  566    H    GLU  73           H        GLU  73   2.185 -10.629   4.047
  567    HA   GLU  73           HA       GLU  73   0.402 -10.666   1.804
  568   1HB   GLU  73          2HB       GLU  73  -0.072 -10.748   4.814
  569   2HB   GLU  73          3HB       GLU  73  -1.367 -10.805   3.624
  570   1HG   GLU  73          2HG       GLU  73  -0.324 -12.856   2.618
  571   2HG   GLU  73          3HG       GLU  73   0.823 -12.873   3.973
  572    H    ALA  74           H        ALA  74   1.025  -8.040   4.219
  573    HA   ALA  74           HA       ALA  74  -1.348  -6.543   3.473
  574   1HB   ALA  74          1HB       ALA  74   0.004  -6.254   5.628
  575   2HB   ALA  74          2HB       ALA  74   1.233  -5.426   4.640
  576   3HB   ALA  74          3HB       ALA  74  -0.396  -4.761   4.748
  577    H    VAL  75           H        VAL  75   2.110  -6.487   2.425
  578    HA   VAL  75           HA       VAL  75   1.699  -4.297   0.603
  579    HB   VAL  75           HB       VAL  75   3.869  -6.305   0.055
  580   1HG1  VAL  75          1HG1      VAL  75   3.428  -4.082  -1.200
  581   2HG1  VAL  75          2HG1      VAL  75   3.920  -3.272   0.292
  582   3HG1  VAL  75          3HG1      VAL  75   5.076  -4.304  -0.566
  583   1HG2  VAL  75          1HG2      VAL  75   3.797  -4.531   2.518
  584   2HG2  VAL  75          2HG2      VAL  75   4.285  -6.241   2.355
  585   3HG2  VAL  75          3HG2      VAL  75   5.326  -4.989   1.723
  586    H    ASP  76           H        ASP  76   1.804  -7.863   0.060
  587    HA   ASP  76           HA       ASP  76   1.070  -7.949  -2.657
  588   1HB   ASP  76          2HB       ASP  76   1.806  -9.921  -1.556
  589   2HB   ASP  76          3HB       ASP  76   0.619  -9.742  -0.262
  590    H    ALA  77           H        ALA  77  -1.113  -7.695   0.231
  591    HA   ALA  77           HA       ALA  77  -3.546  -7.742  -1.277
  592   1HB   ALA  77          1HB       ALA  77  -3.483  -8.091   1.140
  593   2HB   ALA  77          2HB       ALA  77  -2.930  -6.423   1.399
  594   3HB   ALA  77          3HB       ALA  77  -4.549  -6.732   0.736
  595    H    ALA  78           H        ALA  78  -1.431  -4.966  -0.319
  596    HA   ALA  78           HA       ALA  78  -3.070  -3.009  -1.643
  597   1HB   ALA  78          1HB       ALA  78  -1.409  -2.447   0.054
  598   2HB   ALA  78          2HB       ALA  78  -0.087  -2.965  -1.017
  599   3HB   ALA  78          3HB       ALA  78  -1.092  -1.566  -1.448
  600    H    TYR  79           H        TYR  79  -0.242  -4.949  -2.892
  601    HA   TYR  79           HA       TYR  79  -0.249  -3.703  -5.478
  602   1HB   TYR  79          2HB       TYR  79   0.602  -6.468  -4.501
  603   2HB   TYR  79          3HB       TYR  79   0.788  -5.971  -6.167
  604    HD1  TYR  79           HD1      TYR  79   2.002  -3.669  -6.568
  605    HD2  TYR  79           HD2      TYR  79   2.532  -6.208  -3.103
  606    HE1  TYR  79           HE1      TYR  79   4.259  -2.680  -6.194
  607    HE2  TYR  79           HE2      TYR  79   4.814  -5.249  -2.784
  608    HH   TYR  79           HH       TYR  79   6.239  -3.420  -3.349
  609    H    ARG  80           H        ARG  80  -1.918  -6.748  -4.385
  610    HA   ARG  80           HA       ARG  80  -3.208  -7.061  -6.963
  611   1HB   ARG  80          2HB       ARG  80  -3.673  -8.445  -4.300
  612   2HB   ARG  80          3HB       ARG  80  -4.550  -8.821  -5.799
  613   1HG   ARG  80          2HG       ARG  80  -2.296  -9.104  -6.953
  614   2HG   ARG  80          3HG       ARG  80  -1.529  -9.019  -5.367
  615   1HD   ARG  80          2HD       ARG  80  -3.655 -11.045  -6.174
  616   2HD   ARG  80          3HD       ARG  80  -1.917 -11.323  -6.298
  617    HE   ARG  80           HE       ARG  80  -1.725 -10.965  -3.848
  618   1HH1  ARG  80          1HH2      ARG  80  -4.751 -12.227  -5.135
  619   2HH1  ARG  80          2HH2      ARG  80  -5.180 -13.008  -3.631
  620   1HH2  ARG  80          1HH1      ARG  80  -2.358 -11.877  -1.957
  621   2HH2  ARG  80          2HH1      ARG  80  -3.830 -12.833  -1.845
  622    H    SER  81           H        SER  81  -4.207  -5.356  -4.009
  623    HA   SER  81           HA       SER  81  -6.850  -4.751  -4.935
  624   1HB   SER  81          2HB       SER  81  -6.146  -4.288  -2.629
  625   2HB   SER  81          3HB       SER  81  -4.982  -3.077  -3.209
  626    HG   SER  81           HG       SER  81  -7.813  -3.020  -3.495
  627    H    LEU  82           H        LEU  82  -3.708  -2.960  -5.373
  628    HA   LEU  82           HA       LEU  82  -4.704  -0.940  -7.045
  629   1HB   LEU  82          2HB       LEU  82  -2.420  -1.129  -5.942
  630   2HB   LEU  82          3HB       LEU  82  -1.962  -2.254  -7.200
  631    HG   LEU  82           HG       LEU  82  -2.329  -0.486  -8.922
  632   1HD1  LEU  82          1HD1      LEU  82  -3.964   0.962  -7.800
  633   2HD1  LEU  82          2HD1      LEU  82  -2.798   1.347  -6.523
  634   3HD1  LEU  82          3HD1      LEU  82  -2.514   1.883  -8.191
  635   1HD2  LEU  82          1HD2      LEU  82  -0.441   0.219  -6.639
  636   2HD2  LEU  82          2HD2      LEU  82  -0.108  -0.873  -7.995
  637   3HD2  LEU  82          3HD2      LEU  82  -0.340   0.860  -8.295
  638    H    GLU  83           H        GLU  83  -3.384  -4.169  -8.012
  639    HA   GLU  83           HA       GLU  83  -3.759  -3.872 -10.821
  640   1HB   GLU  83          2HB       GLU  83  -3.965  -6.287  -8.988
  641   2HB   GLU  83          3HB       GLU  83  -3.985  -6.412 -10.746
  642   1HG   GLU  83          2HG       GLU  83  -1.743  -5.794 -10.980
  643   2HG   GLU  83          3HG       GLU  83  -1.673  -4.985  -9.422
  644    H    SER  84           H        SER  84  -6.102  -5.076  -8.332
  645    HA   SER  84           HA       SER  84  -8.262  -5.446 -10.173
  646   1HB   SER  84          2HB       SER  84  -9.633  -5.750  -8.287
  647   2HB   SER  84          3HB       SER  84  -8.046  -6.366  -7.818
  648    HG   SER  84           HG       SER  84  -7.798  -4.054  -6.908
  649    H    PHE  85           H        PHE  85  -7.143  -2.580  -8.451
  650    HA   PHE  85           HA       PHE  85  -9.499  -0.991  -8.893
  651   1HB   PHE  85          2HB       PHE  85  -7.880  -0.742  -7.036
  652   2HB   PHE  85          3HB       PHE  85  -6.619  -0.305  -8.177
  653    HD1  PHE  85           HD1      PHE  85  -6.056   1.932  -8.061
  654    HD2  PHE  85           HD2      PHE  85 -10.176   0.783  -7.590
  655    HE1  PHE  85           HE1      PHE  85  -6.635   4.283  -7.589
  656    HE2  PHE  85           HE2      PHE  85 -10.759   3.142  -7.011
  657    HZ   PHE  85           HZ       PHE  85  -8.985   4.891  -6.990
  658    H    LEU  86           H        LEU  86  -6.294  -1.168 -10.546
  659    HA   LEU  86           HA       LEU  86  -7.125   0.727 -12.608
  660   1HB   LEU  86          2HB       LEU  86  -4.773  -1.132 -12.233
  661   2HB   LEU  86          3HB       LEU  86  -5.088  -0.412 -13.803
  662    HG   LEU  86           HG       LEU  86  -3.414   0.820 -12.408
  663   1HD1  LEU  86          1HD1      LEU  86  -4.594   1.920 -14.260
  664   2HD1  LEU  86          2HD1      LEU  86  -5.870   2.459 -13.148
  665   3HD1  LEU  86          3HD1      LEU  86  -4.211   3.056 -12.960
  666   1HD2  LEU  86          1HD2      LEU  86  -5.767   1.789 -10.721
  667   2HD2  LEU  86          2HD2      LEU  86  -4.511   0.653 -10.179
  668   3HD2  LEU  86          3HD2      LEU  86  -4.080   2.311 -10.615
  669    H    ASP  87           H        ASP  87  -7.202  -2.891 -12.342
  670    HA   ASP  87           HA       ASP  87  -8.253  -3.389 -14.928
  671   1HB   ASP  87          2HB       ASP  87  -7.605  -5.168 -13.413
  672   2HB   ASP  87          3HB       ASP  87  -8.844  -4.695 -12.250
  673    H    GLY  88           H        GLY  88  -9.964  -2.256 -11.911
  674   1HA   GLY  88          2HA       GLY  88 -12.562  -2.132 -13.086
  675   2HA   GLY  88          3HA       GLY  88 -11.997  -1.290 -11.634
  676    H    PHE  89           H        PHE  89  -9.874  -0.231 -13.884
  677    HA   PHE  89           HA       PHE  89 -11.589   2.049 -14.773
  678   1HB   PHE  89          2HB       PHE  89  -8.670   2.003 -13.949
  679   2HB   PHE  89          3HB       PHE  89  -9.485   3.393 -14.640
  680    HD1  PHE  89           HD1      PHE  89  -7.943   3.400 -12.103
  681    HD2  PHE  89           HD2      PHE  89 -12.141   2.705 -12.789
  682    HE1  PHE  89           HE1      PHE  89  -8.482   4.453  -9.930
  683    HE2  PHE  89           HE2      PHE  89 -12.671   3.733 -10.612
  684    HZ   PHE  89           HZ       PHE  89 -10.849   4.644  -9.188
  685    H    ARG  90           H        ARG  90  -9.238  -0.319 -15.830
  686    HA   ARG  90           HA       ARG  90  -9.343   0.829 -18.611
  687   1HB   ARG  90          2HB       ARG  90  -6.898  -0.357 -17.298
  688   2HB   ARG  90          3HB       ARG  90  -6.976   0.549 -18.807
  689   1HG   ARG  90          2HG       ARG  90  -7.506   2.624 -17.447
  690   2HG   ARG  90          3HG       ARG  90  -7.212   1.664 -15.981
  691   1HD   ARG  90          2HD       ARG  90  -5.239   2.299 -18.202
  692   2HD   ARG  90          3HD       ARG  90  -5.177   2.841 -16.513
  693    HE   ARG  90           HE       ARG  90  -5.210  -0.027 -16.649
  694   1HH1  ARG  90          1HH2      ARG  90  -2.959   2.587 -17.231
  695   2HH1  ARG  90          2HH2      ARG  90  -1.559   1.554 -17.091
  696   1HH2  ARG  90          1HH1      ARG  90  -3.427  -1.323 -16.548
  697   2HH2  ARG  90          2HH1      ARG  90  -1.833  -0.640 -16.669
  698    H    GLU  91           H        GLU  91  -9.291  -2.088 -16.663
  699    HA   GLU  91           HA       GLU  91  -9.002  -4.298 -17.110
  700   1HB   GLU  91          2HB       GLU  91  -9.903  -3.645 -19.940
  701   2HB   GLU  91          3HB       GLU  91  -9.810  -5.245 -19.211
  702   1HG   GLU  91          2HG       GLU  91 -11.548  -4.691 -17.594
  703   2HG   GLU  91          3HG       GLU  91 -11.600  -3.018 -18.146
  Start of MODEL    7
    1    H    MET   1           H1       MET   1 -11.673   5.915 -21.402
    2    HA   MET   1           HA       MET   1  -9.670   5.957 -20.145
    3   1HB   MET   1          2HB       MET   1  -8.556   7.691 -21.528
    4   2HB   MET   1          3HB       MET   1  -9.628   8.924 -20.841
    5   1HG   MET   1          2HG       MET   1  -8.674   8.593 -18.632
    6   2HG   MET   1          3HG       MET   1  -7.716   7.216 -19.206
    7   1HE   MET   1          1HE       MET   1  -6.643   9.871 -17.557
    8   2HE   MET   1          2HE       MET   1  -5.676   8.422 -17.943
    9   3HE   MET   1          3HE       MET   1  -5.072  10.039 -18.368
   10    H    SER   2           H        SER   2  -9.872   6.255 -17.931
   11    HA   SER   2           HA       SER   2 -12.418   7.547 -17.030
   12   1HB   SER   2          2HB       SER   2 -11.252   4.911 -16.112
   13   2HB   SER   2          3HB       SER   2 -12.823   5.597 -15.663
   14    HG   SER   2           HG       SER   2 -12.960   4.021 -17.344
   15    H    LEU   3           H        LEU   3  -9.405   8.324 -16.769
   16    HA   LEU   3           HA       LEU   3  -9.424   8.852 -13.851
   17   1HB   LEU   3          2HB       LEU   3  -7.083   8.385 -15.745
   18   2HB   LEU   3          3HB       LEU   3  -6.906   8.932 -14.082
   19    HG   LEU   3           HG       LEU   3  -8.214   6.318 -14.899
   20   1HD1  LEU   3          1HD1      LEU   3  -5.790   6.360 -15.462
   21   2HD1  LEU   3          2HD1      LEU   3  -5.425   6.745 -13.762
   22   3HD1  LEU   3          3HD1      LEU   3  -6.176   5.196 -14.183
   23   1HD2  LEU   3          1HD2      LEU   3  -7.337   7.455 -12.191
   24   2HD2  LEU   3          2HD2      LEU   3  -8.987   7.000 -12.684
   25   3HD2  LEU   3          3HD2      LEU   3  -7.759   5.758 -12.439
   26    H    ARG   4           H        ARG   4  -8.488  10.795 -13.184
   27    HA   ARG   4           HA       ARG   4  -9.039  13.149 -14.812
   28   1HB   ARG   4          2HB       ARG   4  -9.158  12.646 -12.165
   29   2HB   ARG   4          3HB       ARG   4  -7.472  13.148 -12.217
   30   1HG   ARG   4          2HG       ARG   4  -8.248  15.348 -13.233
   31   2HG   ARG   4          3HG       ARG   4  -9.921  14.759 -13.087
   32   1HD   ARG   4          2HD       ARG   4  -9.452  14.407 -10.603
   33   2HD   ARG   4          3HD       ARG   4  -7.908  15.241 -10.865
   34    HE   ARG   4           HE       ARG   4 -10.134  16.813 -11.807
   35   1HH1  ARG   4          1HH2      ARG   4  -8.451  15.875  -8.883
   36   2HH1  ARG   4          2HH2      ARG   4  -9.032  17.235  -7.959
   37   1HH2  ARG   4          1HH1      ARG   4 -10.835  18.595 -10.605
   38   2HH2  ARG   4          2HH1      ARG   4 -10.336  18.774  -8.950
   39    H    LYS   5           H        LYS   5  -7.174  14.904 -14.752
   40    HA   LYS   5           HA       LYS   5  -4.849  14.036 -16.166
   41   1HB   LYS   5          2HB       LYS   5  -3.925  16.296 -15.559
   42   2HB   LYS   5          3HB       LYS   5  -5.390  16.239 -16.507
   43   1HG   LYS   5          2HG       LYS   5  -5.463  18.081 -14.964
   44   2HG   LYS   5          3HG       LYS   5  -6.752  16.932 -14.596
   45   1HD   LYS   5          2HD       LYS   5  -5.683  16.170 -12.653
   46   2HD   LYS   5          3HD       LYS   5  -4.108  16.874 -13.138
   47   1HE   LYS   5          2HE       LYS   5  -5.026  19.109 -12.633
   48   2HE   LYS   5          3HE       LYS   5  -6.546  18.344 -12.119
   49   1HZ   LYS   5          1HZ       LYS   5  -5.111  16.967 -10.558
   50   2HZ   LYS   5          2HZ       LYS   5  -3.859  17.911 -10.938
   51   3HZ   LYS   5          3HZ       LYS   5  -5.149  18.590 -10.181
   52    H    LEU   6           H        LEU   6  -3.406  12.598 -15.389
   53    HA   LEU   6           HA       LEU   6  -3.179  12.206 -12.527
   54   1HB   LEU   6          2HB       LEU   6  -1.611  11.001 -14.832
   55   2HB   LEU   6          3HB       LEU   6  -1.449  10.516 -13.146
   56    HG   LEU   6           HG       LEU   6  -3.976  10.262 -14.828
   57   1HD1  LEU   6          1HD1      LEU   6  -3.560   7.865 -14.667
   58   2HD1  LEU   6          2HD1      LEU   6  -2.156   8.673 -15.380
   59   3HD1  LEU   6          3HD1      LEU   6  -2.110   8.151 -13.680
   60   1HD2  LEU   6          1HD2      LEU   6  -3.456   9.494 -11.918
   61   2HD2  LEU   6          2HD2      LEU   6  -4.695  10.617 -12.533
   62   3HD2  LEU   6          3HD2      LEU   6  -4.823   8.895 -12.875
   63    H    THR   7           H        THR   7  -2.255  13.787 -11.286
   64    HA   THR   7           HA       THR   7   0.614  14.309 -11.773
   65    HB   THR   7           HB       THR   7  -0.663  16.185 -12.791
   66    HG1  THR   7           1HG      THR   7   1.272  16.787 -12.216
   67   1HG2  THR   7          1HG2      THR   7  -2.579  16.362 -11.332
   68   2HG2  THR   7          2HG2      THR   7  -1.548  16.825  -9.958
   69   3HG2  THR   7          3HG2      THR   7  -1.674  17.893 -11.371
   70    H    GLU   8           H        GLU   8   1.051  16.004  -9.685
   71    HA   GLU   8           HA       GLU   8   1.730  14.365  -7.598
   72   1HB   GLU   8          2HB       GLU   8   2.482  16.682  -7.979
   73   2HB   GLU   8          3HB       GLU   8   0.897  17.295  -7.504
   74   1HG   GLU   8          2HG       GLU   8   1.249  16.403  -5.203
   75   2HG   GLU   8          3HG       GLU   8   2.838  15.796  -5.695
   76    H    GLY   9           H        GLY   9  -1.385  16.154  -7.750
   77   1HA   GLY   9          2HA       GLY   9  -2.301  15.360  -5.129
   78   2HA   GLY   9          3HA       GLY   9  -3.289  15.981  -6.477
   79    H    ASP  10           H        ASP  10  -3.125  14.205  -8.397
   80    HA   ASP  10           HA       ASP  10  -4.921  12.154  -7.615
   81   1HB   ASP  10          2HB       ASP  10  -3.344  12.390 -10.200
   82   2HB   ASP  10          3HB       ASP  10  -4.948  11.699  -9.977
   83    H    LEU  11           H        LEU  11  -1.428  12.153  -8.256
   84    HA   LEU  11           HA       LEU  11  -0.999   9.310  -7.805
   85   1HB   LEU  11          2HB       LEU  11   0.745  11.766  -7.974
   86   2HB   LEU  11          3HB       LEU  11   1.419  10.259  -7.410
   87    HG   LEU  11           HG       LEU  11   1.199   9.181  -9.442
   88   1HD1  LEU  11          1HD1      LEU  11  -1.086   9.660 -10.141
   89   2HD1  LEU  11          2HD1      LEU  11  -0.621  11.324 -10.573
   90   3HD1  LEU  11          3HD1      LEU  11   0.061   9.939 -11.454
   91   1HD2  LEU  11          1HD2      LEU  11   1.808  12.063 -10.179
   92   2HD2  LEU  11          2HD2      LEU  11   2.942  10.926  -9.416
   93   3HD2  LEU  11          3HD2      LEU  11   2.342  10.610 -11.053
   94    H    ASP  12           H        ASP  12  -0.786  12.218  -5.610
   95    HA   ASP  12           HA       ASP  12  -0.021  10.701  -3.324
   96   1HB   ASP  12          2HB       ASP  12   0.093  13.167  -3.477
   97   2HB   ASP  12          3HB       ASP  12  -1.674  13.250  -3.425
   98    H    GLU  13           H        GLU  13  -3.337  11.460  -4.589
   99    HA   GLU  13           HA       GLU  13  -4.791  10.071  -2.580
  100   1HB   GLU  13          2HB       GLU  13  -5.296  10.510  -5.540
  101   2HB   GLU  13          3HB       GLU  13  -6.452   9.656  -4.530
  102   1HG   GLU  13          2HG       GLU  13  -5.486  12.427  -3.742
  103   2HG   GLU  13          3HG       GLU  13  -6.746  12.204  -4.952
  104    H    ILE  14           H        ILE  14  -3.312   8.695  -5.586
  105    HA   ILE  14           HA       ILE  14  -4.121   5.982  -4.974
  106    HB   ILE  14           HB       ILE  14  -1.989   7.150  -6.772
  107   1HG1  ILE  14          2HG1      ILE  14  -4.621   5.696  -7.336
  108   2HG1  ILE  14          3HG1      ILE  14  -4.422   7.444  -7.354
  109   1HG2  ILE  14          1HG2      ILE  14  -1.138   4.950  -6.087
  110   2HG2  ILE  14          2HG2      ILE  14  -2.712   4.201  -6.438
  111   3HG2  ILE  14          3HG2      ILE  14  -1.698   4.859  -7.743
  112   1HD1  ILE  14          1HD1      ILE  14  -2.769   7.207  -9.237
  113   2HD1  ILE  14          2HD1      ILE  14  -3.185   5.470  -9.312
  114   3HD1  ILE  14          3HD1      ILE  14  -4.424   6.686  -9.620
  115    H    SER  15           H        SER  15  -1.026   7.735  -4.315
  116    HA   SER  15           HA       SER  15   0.300   5.625  -2.970
  117   1HB   SER  15          2HB       SER  15   1.303   7.782  -3.716
  118   2HB   SER  15          3HB       SER  15   0.456   8.611  -2.391
  119    HG   SER  15           HG       SER  15   2.607   8.000  -1.839
  120    H    SER  16           H        SER  16  -1.900   8.112  -1.651
  121    HA   SER  16           HA       SER  16  -1.896   7.261   1.073
  122   1HB   SER  16          2HB       SER  16  -2.688   9.462   0.295
  123   2HB   SER  16          3HB       SER  16  -4.038   8.685  -0.558
  124    HG   SER  16           HG       SER  16  -4.682   9.421   1.465
  125    H    PHE  17           H        PHE  17  -4.110   6.371  -1.685
  126    HA   PHE  17           HA       PHE  17  -5.759   4.591  -0.193
  127   1HB   PHE  17          2HB       PHE  17  -6.406   5.331  -2.378
  128   2HB   PHE  17          3HB       PHE  17  -4.933   4.725  -3.109
  129    HD1  PHE  17           HD1      PHE  17  -8.032   3.563  -1.342
  130    HD2  PHE  17           HD2      PHE  17  -4.838   2.566  -4.063
  131    HE1  PHE  17           HE1      PHE  17  -9.149   1.407  -1.870
  132    HE2  PHE  17           HE2      PHE  17  -5.961   0.409  -4.586
  133    HZ   PHE  17           HZ       PHE  17  -8.115  -0.162  -3.497
  134    H    LEU  18           H        LEU  18  -2.670   3.959  -1.915
  135    HA   LEU  18           HA       LEU  18  -2.546   1.168  -1.249
  136   1HB   LEU  18          2HB       LEU  18  -0.431   3.232  -1.983
  137   2HB   LEU  18          3HB       LEU  18  -0.063   1.520  -1.776
  138    HG   LEU  18           HG       LEU  18  -2.162   2.520  -3.756
  139   1HD1  LEU  18          1HD1      LEU  18   0.012   3.457  -4.376
  140   2HD1  LEU  18          2HD1      LEU  18   0.762   1.845  -4.269
  141   3HD1  LEU  18          3HD1      LEU  18  -0.471   2.193  -5.505
  142   1HD2  LEU  18          1HD2      LEU  18  -0.697  -0.134  -3.491
  143   2HD2  LEU  18          2HD2      LEU  18  -2.421   0.156  -3.152
  144   3HD2  LEU  18          3HD2      LEU  18  -1.806   0.343  -4.785
  145    H    HIS  19           H        HIS  19  -0.967   4.002   0.399
  146    HA   HIS  19           HA       HIS  19   0.196   2.471   2.484
  147   1HB   HIS  19          2HB       HIS  19   0.917   4.718   2.246
  148   2HB   HIS  19          3HB       HIS  19  -0.732   5.345   2.285
  149    HD1  HIS  19           HD1      HIS  19  -0.882   6.742   4.453
  150    HD2  HIS  19           HD2      HIS  19   0.874   2.967   4.946
  151    HE1  HIS  19           HE1      HIS  19  -0.673   6.356   6.973
  152    H    ASN  20           H        ASN  20  -3.058   4.077   2.443
  153    HA   ASN  20           HA       ASN  20  -3.772   3.128   5.061
  154   1HB   ASN  20          2HB       ASN  20  -5.437   4.075   2.698
  155   2HB   ASN  20          3HB       ASN  20  -6.147   3.543   4.224
  156   1HD2  ASN  20          2HD2      ASN  20  -4.287   6.128   2.692
  157   2HD2  ASN  20          1HD2      ASN  20  -4.456   7.216   4.073
  158    H    THR  21           H        THR  21  -4.164   1.600   1.822
  159    HA   THR  21           HA       THR  21  -5.669  -0.645   2.718
  160    HB   THR  21           HB       THR  21  -3.631  -0.518   0.453
  161    HG1  THR  21           1HG      THR  21  -5.227   0.967   0.102
  162   1HG2  THR  21          1HG2      THR  21  -4.168  -2.856   0.911
  163   2HG2  THR  21          2HG2      THR  21  -5.904  -2.470   1.008
  164   3HG2  THR  21          3HG2      THR  21  -5.041  -2.332  -0.538
  165    H    ILE  22           H        ILE  22  -2.065  -0.248   2.527
  166    HA   ILE  22           HA       ILE  22  -1.497  -2.844   3.661
  167    HB   ILE  22           HB       ILE  22   0.146  -0.287   3.727
  168   1HG1  ILE  22          2HG1      ILE  22   0.158  -2.651   1.810
  169   2HG1  ILE  22          3HG1      ILE  22  -0.283  -0.984   1.440
  170   1HG2  ILE  22          1HG2      ILE  22   0.834  -2.110   5.429
  171   2HG2  ILE  22          2HG2      ILE  22   1.233  -3.117   4.023
  172   3HG2  ILE  22          3HG2      ILE  22   2.072  -1.599   4.309
  173   1HD1  ILE  22          1HD1      ILE  22   2.136  -0.393   2.213
  174   2HD1  ILE  22          2HD1      ILE  22   2.429  -2.139   1.992
  175   3HD1  ILE  22          3HD1      ILE  22   1.862  -1.151   0.613
  176    H    SER  23           H        SER  23  -1.723   0.427   5.212
  177    HA   SER  23           HA       SER  23  -1.153  -0.475   7.831
  178   1HB   SER  23          2HB       SER  23  -2.625   1.960   6.785
  179   2HB   SER  23          3HB       SER  23  -2.266   1.705   8.512
  180    HG   SER  23           HG       SER  23  -0.575   2.850   7.078
  181    H    ASP  24           H        ASP  24  -4.393  -0.154   6.236
  182    HA   ASP  24           HA       ASP  24  -5.870  -1.132   8.505
  183   1HB   ASP  24          2HB       ASP  24  -6.453  -1.117   5.516
  184   2HB   ASP  24          3HB       ASP  24  -7.583  -1.723   6.722
  185    H    PHE  25           H        PHE  25  -4.283  -2.875   5.740
  186    HA   PHE  25           HA       PHE  25  -5.292  -5.427   6.540
  187   1HB   PHE  25          2HB       PHE  25  -4.244  -4.734   4.309
  188   2HB   PHE  25          3HB       PHE  25  -2.676  -4.944   5.071
  189    HD1  PHE  25           HD1      PHE  25  -2.083  -7.298   5.977
  190    HD2  PHE  25           HD2      PHE  25  -5.460  -6.532   3.412
  191    HE1  PHE  25           HE1      PHE  25  -2.253  -9.712   5.457
  192    HE2  PHE  25           HE2      PHE  25  -5.640  -8.958   2.923
  193    HZ   PHE  25           HZ       PHE  25  -4.028 -10.556   3.959
  194    H    ILE  26           H        ILE  26  -2.296  -3.653   7.494
  195    HA   ILE  26           HA       ILE  26  -1.244  -5.685   9.209
  196    HB   ILE  26           HB       ILE  26  -1.009  -2.664   9.022
  197   1HG1  ILE  26          2HG1      ILE  26   1.063  -4.863   8.577
  198   2HG1  ILE  26          3HG1      ILE  26   0.025  -4.255   7.292
  199   1HG2  ILE  26          1HG2      ILE  26  -0.737  -3.130  11.364
  200   2HG2  ILE  26          2HG2      ILE  26   0.338  -4.505  11.024
  201   3HG2  ILE  26          3HG2      ILE  26   0.851  -2.830  10.683
  202   1HD1  ILE  26          1HD1      ILE  26   0.899  -1.939   7.706
  203   2HD1  ILE  26          2HD1      ILE  26   2.087  -2.642   8.820
  204   3HD1  ILE  26          3HD1      ILE  26   2.100  -3.112   7.112
  205    H    LEU  27           H        LEU  27  -3.407  -2.839   9.961
  206    HA   LEU  27           HA       LEU  27  -3.775  -3.630  12.662
  207   1HB   LEU  27          2HB       LEU  27  -5.049  -1.685  10.786
  208   2HB   LEU  27          3HB       LEU  27  -6.049  -2.188  12.124
  209    HG   LEU  27           HG       LEU  27  -4.818  -0.116  12.578
  210   1HD1  LEU  27          1HD1      LEU  27  -5.551  -1.608  14.427
  211   2HD1  LEU  27          2HD1      LEU  27  -3.947  -2.369  14.433
  212   3HD1  LEU  27          3HD1      LEU  27  -4.122  -0.644  14.831
  213   1HD2  LEU  27          1HD2      LEU  27  -2.281  -1.800  12.666
  214   2HD2  LEU  27          2HD2      LEU  27  -2.690  -0.625  11.395
  215   3HD2  LEU  27          3HD2      LEU  27  -2.441  -0.078  13.059
  216    H    LYS  28           H        LYS  28  -5.667  -4.651   9.800
  217    HA   LYS  28           HA       LYS  28  -7.544  -6.112  11.458
  218   1HB   LYS  28          2HB       LYS  28  -8.650  -6.722   9.532
  219   2HB   LYS  28          3HB       LYS  28  -7.950  -5.165   9.135
  220   1HG   LYS  28          2HG       LYS  28  -7.410  -6.177   7.217
  221   2HG   LYS  28          3HG       LYS  28  -6.004  -6.650   8.149
  222   1HD   LYS  28          2HD       LYS  28  -6.727  -8.523   6.880
  223   2HD   LYS  28          3HD       LYS  28  -7.052  -8.879   8.577
  224   1HE   LYS  28          2HE       LYS  28  -9.430  -8.203   8.255
  225   2HE   LYS  28          3HE       LYS  28  -9.085  -7.828   6.559
  226   1HZ   LYS  28          1HZ       LYS  28  -8.488 -10.156   6.242
  227   2HZ   LYS  28          2HZ       LYS  28  -8.825 -10.494   7.815
  228   3HZ   LYS  28          3HZ       LYS  28 -10.035 -10.035   6.796
  229    H    ARG  29           H        ARG  29  -4.302  -6.867  10.646
  230    HA   ARG  29           HA       ARG  29  -4.796  -9.700  11.532
  231   1HB   ARG  29          2HB       ARG  29  -2.751  -8.395   9.760
  232   2HB   ARG  29          3HB       ARG  29  -2.211  -9.701  10.800
  233   1HG   ARG  29          2HG       ARG  29  -3.975 -11.197   9.908
  234   2HG   ARG  29          3HG       ARG  29  -4.484  -9.922   8.784
  235   1HD   ARG  29          2HD       ARG  29  -2.622 -10.114   7.477
  236   2HD   ARG  29          3HD       ARG  29  -1.551 -10.492   8.797
  237    HE   ARG  29           HE       ARG  29  -2.473 -12.340   6.962
  238   1HH1  ARG  29          1HH2      ARG  29  -2.460 -12.361  10.539
  239   2HH1  ARG  29          2HH2      ARG  29  -1.475 -13.845  10.498
  240   1HH2  ARG  29          1HH1      ARG  29  -1.195 -14.201   7.211
  241   2HH2  ARG  29          2HH1      ARG  29  -0.922 -14.767   8.888
  242    H    VAL  30           H        VAL  30  -2.876  -6.818  12.474
  243    HA   VAL  30           HA       VAL  30  -2.344  -8.121  15.117
  244    HB   VAL  30           HB       VAL  30  -0.306  -6.676  13.364
  245   1HG1  VAL  30          1HG1      VAL  30   0.071  -6.184  15.769
  246   2HG1  VAL  30          2HG1      VAL  30   0.038  -7.924  16.128
  247   3HG1  VAL  30          3HG1      VAL  30   1.333  -7.233  15.130
  248   1HG2  VAL  30          1HG2      VAL  30  -0.378  -9.579  14.297
  249   2HG2  VAL  30          2HG2      VAL  30  -0.640  -9.009  12.637
  250   3HG2  VAL  30          3HG2      VAL  30   0.942  -8.796  13.391
  251    H    SER  31           H        SER  31  -2.509  -6.739  16.849
  252    HA   SER  31           HA       SER  31  -3.791  -4.151  16.400
  253   1HB   SER  31          2HB       SER  31  -4.491  -5.576  18.253
  254   2HB   SER  31          3HB       SER  31  -2.857  -5.529  18.944
  255    HG   SER  31           HG       SER  31  -4.515  -3.961  19.730
  256    H    ALA  32           H        ALA  32  -2.872  -2.172  16.485
  257    HA   ALA  32           HA       ALA  32  -0.181  -1.558  16.459
  258   1HB   ALA  32          1HB       ALA  32  -1.946  -0.018  15.790
  259   2HB   ALA  32          2HB       ALA  32  -2.518   0.102  17.474
  260   3HB   ALA  32          3HB       ALA  32  -0.915   0.726  17.024
  261    H    LYS  33           H        LYS  33  -2.095  -2.427  19.349
  262    HA   LYS  33           HA       LYS  33  -0.200  -1.311  21.238
  263   1HB   LYS  33          2HB       LYS  33  -1.462  -2.253  22.889
  264   2HB   LYS  33          3HB       LYS  33  -2.621  -2.094  21.597
  265   1HG   LYS  33          2HG       LYS  33  -3.112  -4.123  22.580
  266   2HG   LYS  33          3HG       LYS  33  -2.326  -4.526  21.070
  267   1HD   LYS  33          2HD       LYS  33  -1.787  -6.047  22.886
  268   2HD   LYS  33          3HD       LYS  33  -0.347  -5.335  22.240
  269   1HE   LYS  33          2HE       LYS  33  -1.694  -4.422  24.827
  270   2HE   LYS  33          3HE       LYS  33  -0.439  -5.659  24.722
  271   1HZ   LYS  33          1HZ       LYS  33   0.902  -3.820  23.533
  272   2HZ   LYS  33          2HZ       LYS  33  -0.136  -2.787  24.219
  273   3HZ   LYS  33          3HZ       LYS  33   0.773  -3.768  25.182
  274    H    GLU  34           H        GLU  34  -0.109  -4.109  19.271
  275    HA   GLU  34           HA       GLU  34   2.029  -5.496  20.790
  276   1HB   GLU  34          2HB       GLU  34   0.858  -6.098  18.046
  277   2HB   GLU  34          3HB       GLU  34   1.852  -7.170  19.014
  278   1HG   GLU  34          2HG       GLU  34   0.094  -7.447  20.667
  279   2HG   GLU  34          3HG       GLU  34  -0.902  -6.207  19.911
  280    H    ILE  35           H        ILE  35   1.790  -3.025  18.459
  281    HA   ILE  35           HA       ILE  35   4.385  -3.569  17.114
  282    HB   ILE  35           HB       ILE  35   1.858  -2.067  16.404
  283   1HG1  ILE  35          2HG1      ILE  35   3.253  -4.350  14.944
  284   2HG1  ILE  35          3HG1      ILE  35   1.956  -4.592  16.110
  285   1HG2  ILE  35          1HG2      ILE  35   3.698  -0.691  15.585
  286   2HG2  ILE  35          2HG2      ILE  35   4.406  -2.102  14.753
  287   3HG2  ILE  35          3HG2      ILE  35   2.833  -1.428  14.263
  288   1HD1  ILE  35          1HD1      ILE  35   0.416  -3.248  14.683
  289   2HD1  ILE  35          2HD1      ILE  35   1.700  -3.139  13.450
  290   3HD1  ILE  35          3HD1      ILE  35   1.035  -4.709  13.891
  291    H    VAL  36           H        VAL  36   6.079  -2.193  17.387
  292    HA   VAL  36           HA       VAL  36   5.888   0.117  19.214
  293    HB   VAL  36           HB       VAL  36   8.123  -1.218  17.656
  294   1HG1  VAL  36          1HG1      VAL  36   8.629   1.130  17.352
  295   2HG1  VAL  36          2HG1      VAL  36   8.299   1.471  19.068
  296   3HG1  VAL  36          3HG1      VAL  36   9.693   0.469  18.598
  297   1HG2  VAL  36          1HG2      VAL  36   7.842  -0.492  20.603
  298   2HG2  VAL  36          2HG2      VAL  36   7.342  -2.041  19.915
  299   3HG2  VAL  36          3HG2      VAL  36   9.050  -1.567  19.859
  300    H    ASP  37           H        ASP  37   6.490  -0.455  15.690
  301    HA   ASP  37           HA       ASP  37   4.794   1.753  15.053
  302   1HB   ASP  37          2HB       ASP  37   7.287   2.706  15.689
  303   2HB   ASP  37          3HB       ASP  37   7.522   2.390  13.980
  304    H    ILE  38           H        ILE  38   5.051   2.380  12.637
  305    HA   ILE  38           HA       ILE  38   6.001   0.162  10.920
  306    HB   ILE  38           HB       ILE  38   4.051   0.443   9.392
  307   1HG1  ILE  38          2HG1      ILE  38   2.684   1.810  11.753
  308   2HG1  ILE  38          3HG1      ILE  38   3.115   2.562  10.215
  309   1HG2  ILE  38          1HG2      ILE  38   4.383  -1.474  10.914
  310   2HG2  ILE  38          2HG2      ILE  38   3.299  -0.704  12.091
  311   3HG2  ILE  38          3HG2      ILE  38   2.697  -1.187  10.482
  312   1HD1  ILE  38          1HD1      ILE  38   1.582   0.944   9.043
  313   2HD1  ILE  38          2HD1      ILE  38   1.026   0.398  10.644
  314   3HD1  ILE  38          3HD1      ILE  38   0.778   2.077  10.146
  315    H    ASP  39           H        ASP  39   6.840   0.777   9.005
  316    HA   ASP  39           HA       ASP  39   6.645   3.659   8.225
  317   1HB   ASP  39          2HB       ASP  39   9.142   1.940   8.322
  318   2HB   ASP  39          3HB       ASP  39   8.972   3.278   7.190
  319    H    ILE  40           H        ILE  40   5.823   3.877   6.249
  320    HA   ILE  40           HA       ILE  40   5.940   1.601   4.338
  321    HB   ILE  40           HB       ILE  40   3.447   3.059   5.267
  322   1HG1  ILE  40          2HG1      ILE  40   3.903   0.096   4.778
  323   2HG1  ILE  40          3HG1      ILE  40   4.348   0.826   6.320
  324   1HG2  ILE  40          1HG2      ILE  40   3.350   3.130   2.822
  325   2HG2  ILE  40          2HG2      ILE  40   3.866   1.428   2.710
  326   3HG2  ILE  40          3HG2      ILE  40   2.275   1.847   3.367
  327   1HD1  ILE  40          1HD1      ILE  40   2.021   1.528   6.680
  328   2HD1  ILE  40          2HD1      ILE  40   1.566   0.673   5.174
  329   3HD1  ILE  40          3HD1      ILE  40   2.242  -0.228   6.551
  330    H    THR  41           H        THR  41   6.777   2.200   2.538
  331    HA   THR  41           HA       THR  41   6.666   5.075   1.694
  332    HB   THR  41           HB       THR  41   8.963   3.146   1.181
  333    HG1  THR  41           1HG      THR  41   8.914   3.764   3.342
  334   1HG2  THR  41          1HG2      THR  41   8.662   4.961  -0.523
  335   2HG2  THR  41          2HG2      THR  41   8.690   6.164   0.784
  336   3HG2  THR  41          3HG2      THR  41  10.131   5.182   0.444
  337    H    VAL  42           H        VAL  42   5.445   5.259  -0.030
  338    HA   VAL  42           HA       VAL  42   5.342   3.068  -2.064
  339    HB   VAL  42           HB       VAL  42   3.183   5.051  -1.256
  340   1HG1  VAL  42          1HG1      VAL  42   3.114   4.748  -3.687
  341   2HG1  VAL  42          2HG1      VAL  42   3.235   2.982  -3.503
  342   3HG1  VAL  42          3HG1      VAL  42   1.793   3.853  -2.940
  343   1HG2  VAL  42          1HG2      VAL  42   3.266   2.007  -1.103
  344   2HG2  VAL  42          2HG2      VAL  42   3.349   3.122   0.277
  345   3HG2  VAL  42          3HG2      VAL  42   1.875   3.038  -0.692
  346    H    LEU  43           H        LEU  43   6.111   3.588  -3.967
  347    HA   LEU  43           HA       LEU  43   6.807   6.446  -4.554
  348   1HB   LEU  43          2HB       LEU  43   8.296   3.954  -5.479
  349   2HB   LEU  43          3HB       LEU  43   8.734   5.628  -5.727
  350    HG   LEU  43           HG       LEU  43   8.781   5.677  -3.040
  351   1HD1  LEU  43          1HD1      LEU  43   8.105   3.288  -2.703
  352   2HD1  LEU  43          2HD1      LEU  43   9.466   2.762  -3.707
  353   3HD1  LEU  43          3HD1      LEU  43   9.758   3.559  -2.155
  354   1HD2  LEU  43          1HD2      LEU  43  10.984   4.465  -4.764
  355   2HD2  LEU  43          2HD2      LEU  43  10.676   6.201  -4.521
  356   3HD2  LEU  43          3HD2      LEU  43  11.197   5.201  -3.160
  357    H    VAL  44           H        VAL  44   6.266   7.205  -6.582
  358    HA   VAL  44           HA       VAL  44   5.272   5.330  -8.617
  359    HB   VAL  44           HB       VAL  44   3.271   5.954  -7.351
  360   1HG1  VAL  44          1HG1      VAL  44   3.948   8.195  -6.532
  361   2HG1  VAL  44          2HG1      VAL  44   3.763   8.834  -8.180
  362   3HG1  VAL  44          3HG1      VAL  44   2.361   8.173  -7.306
  363   1HG2  VAL  44          1HG2      VAL  44   3.298   7.249 -10.105
  364   2HG2  VAL  44          2HG2      VAL  44   3.134   5.508  -9.783
  365   3HG2  VAL  44          3HG2      VAL  44   1.888   6.634  -9.218
  366    H    GLU  45           H        GLU  45   5.779   5.902 -10.650
  367    HA   GLU  45           HA       GLU  45   6.856   8.591 -11.281
  368   1HB   GLU  45          2HB       GLU  45   8.754   7.307 -10.355
  369   2HB   GLU  45          3HB       GLU  45   8.434   5.986 -11.478
  370   1HG   GLU  45          2HG       GLU  45   9.012   7.438 -13.391
  371   2HG   GLU  45          3HG       GLU  45   9.224   8.813 -12.299
  372    H    TYR  46           H        TYR  46   7.078   8.880 -13.654
  373    HA   TYR  46           HA       TYR  46   5.926   6.713 -15.311
  374   1HB   TYR  46          2HB       TYR  46   4.148   8.410 -14.538
  375   2HB   TYR  46          3HB       TYR  46   4.926   9.555 -15.612
  376    HD1  TYR  46           HD1      TYR  46   5.516   7.937 -18.087
  377    HD2  TYR  46           HD2      TYR  46   2.138   7.825 -15.397
  378    HE1  TYR  46           HE1      TYR  46   4.124   6.908 -19.864
  379    HE2  TYR  46           HE2      TYR  46   0.744   6.840 -17.178
  380    HH   TYR  46           HH       TYR  46   0.690   6.079 -19.348
  381    H    THR  47           H        THR  47   7.618   6.279 -16.526
  382    HA   THR  47           HA       THR  47   9.213   8.461 -17.792
  383    HB   THR  47           HB       THR  47  10.424   7.913 -15.826
  384    HG1  THR  47           1HG      THR  47  12.326   7.159 -16.873
  385   1HG2  THR  47          1HG2      THR  47   9.665   5.582 -15.364
  386   2HG2  THR  47          2HG2      THR  47  10.688   5.013 -16.703
  387   3HG2  THR  47          3HG2      THR  47  11.413   5.798 -15.293
  388    H    ASP  48           H        ASP  48   7.971   8.069 -19.573
  389    HA   ASP  48           HA       ASP  48   7.203   7.214 -21.492
  390   1HB   ASP  48          2HB       ASP  48   9.665   6.734 -21.871
  391   2HB   ASP  48          3HB       ASP  48   9.329   5.060 -21.415
  392    H    GLU  49           H        GLU  49   7.764   4.808 -19.006
  393    HA   GLU  49           HA       GLU  49   5.069   3.602 -19.463
  394   1HB   GLU  49          2HB       GLU  49   7.246   2.201 -19.843
  395   2HB   GLU  49          3HB       GLU  49   7.471   2.340 -18.101
  396   1HG   GLU  49          2HG       GLU  49   5.014   1.313 -18.017
  397   2HG   GLU  49          3HG       GLU  49   5.378   0.812 -19.668
  398    H    LEU  50           H        LEU  50   4.010   2.951 -17.403
  399    HA   LEU  50           HA       LEU  50   4.397   4.903 -15.222
  400   1HB   LEU  50          2HB       LEU  50   2.129   4.485 -16.028
  401   2HB   LEU  50          3HB       LEU  50   2.342   2.744 -15.853
  402    HG   LEU  50           HG       LEU  50   2.472   2.999 -13.374
  403   1HD1  LEU  50          1HD1      LEU  50   3.241   5.349 -13.208
  404   2HD1  LEU  50          2HD1      LEU  50   1.701   5.902 -13.902
  405   3HD1  LEU  50          3HD1      LEU  50   1.743   5.093 -12.318
  406   1HD2  LEU  50          1HD2      LEU  50  -0.019   4.195 -14.641
  407   2HD2  LEU  50          2HD2      LEU  50   0.351   2.460 -14.485
  408   3HD2  LEU  50          3HD2      LEU  50   0.097   3.439 -13.033
  409    H    LYS  51           H        LYS  51   5.465   4.422 -13.371
  410    HA   LYS  51           HA       LYS  51   5.961   1.558 -12.647
  411   1HB   LYS  51          2HB       LYS  51   7.828   3.941 -12.298
  412   2HB   LYS  51          3HB       LYS  51   8.142   2.305 -11.728
  413   1HG   LYS  51          2HG       LYS  51   7.904   3.176 -14.643
  414   2HG   LYS  51          3HG       LYS  51   9.396   2.833 -13.771
  415   1HD   LYS  51          2HD       LYS  51   8.715   0.464 -13.482
  416   2HD   LYS  51          3HD       LYS  51   7.196   0.798 -14.344
  417   1HE   LYS  51          2HE       LYS  51   8.539   1.591 -16.303
  418   2HE   LYS  51          3HE       LYS  51  10.009   1.030 -15.492
  419   1HZ   LYS  51          1HZ       LYS  51   9.148  -1.234 -15.623
  420   2HZ   LYS  51          2HZ       LYS  51   7.653  -0.676 -16.139
  421   3HZ   LYS  51          3HZ       LYS  51   8.831  -0.536 -17.131
  422    H    VAL  52           H        VAL  52   5.581   0.991 -10.615
  423    HA   VAL  52           HA       VAL  52   5.188   3.000  -8.516
  424    HB   VAL  52           HB       VAL  52   2.934   2.622  -9.264
  425   1HG1  VAL  52          1HG1      VAL  52   3.155   0.435 -10.379
  426   2HG1  VAL  52          2HG1      VAL  52   3.338  -0.361  -8.796
  427   3HG1  VAL  52          3HG1      VAL  52   1.822   0.449  -9.233
  428   1HG2  VAL  52          1HG2      VAL  52   3.317   1.055  -6.672
  429   2HG2  VAL  52          2HG2      VAL  52   3.305   2.830  -6.813
  430   3HG2  VAL  52          3HG2      VAL  52   1.861   1.897  -7.220
  431    H    ASP  53           H        ASP  53   5.936   2.316  -6.538
  432    HA   ASP  53           HA       ASP  53   6.675  -0.526  -6.198
  433   1HB   ASP  53          2HB       ASP  53   8.705   0.548  -7.125
  434   2HB   ASP  53          3HB       ASP  53   8.688   1.714  -5.796
  435    H    ILE  54           H        ILE  54   7.011  -1.152  -4.056
  436    HA   ILE  54           HA       ILE  54   5.666   0.545  -2.010
  437    HB   ILE  54           HB       ILE  54   4.728  -2.226  -2.872
  438   1HG1  ILE  54          2HG1      ILE  54   3.457   0.543  -3.056
  439   2HG1  ILE  54          3HG1      ILE  54   3.926  -0.504  -4.392
  440   1HG2  ILE  54          1HG2      ILE  54   4.660  -1.955  -0.401
  441   2HG2  ILE  54          2HG2      ILE  54   3.720  -0.460  -0.602
  442   3HG2  ILE  54          3HG2      ILE  54   3.050  -2.043  -1.097
  443   1HD1  ILE  54          1HD1      ILE  54   2.176  -2.154  -3.647
  444   2HD1  ILE  54          2HD1      ILE  54   1.605  -0.920  -2.489
  445   3HD1  ILE  54          3HD1      ILE  54   1.580  -0.589  -4.242
  446    H    SER  55           H        SER  55   6.955   0.584  -0.300
  447    HA   SER  55           HA       SER  55   8.253  -1.967   0.620
  448   1HB   SER  55          2HB       SER  55   9.281   0.888   0.848
  449   2HB   SER  55          3HB       SER  55   9.969  -0.510   1.698
  450    HG   SER  55           HG       SER  55   9.644  -0.440  -1.120
  451    H    ALA  56           H        ALA  56   7.580  -2.594   2.611
  452    HA   ALA  56           HA       ALA  56   6.419  -0.598   4.442
  453   1HB   ALA  56          1HB       ALA  56   4.490  -1.617   3.305
  454   2HB   ALA  56          2HB       ALA  56   5.083  -3.236   3.732
  455   3HB   ALA  56          3HB       ALA  56   4.557  -2.117   5.011
  456    H    GLU  57           H        GLU  57   7.061  -0.815   6.447
  457    HA   GLU  57           HA       GLU  57   8.635  -3.211   7.275
  458   1HB   GLU  57          2HB       GLU  57   9.034  -0.249   7.880
  459   2HB   GLU  57          3HB       GLU  57   9.892  -1.570   8.656
  460   1HG   GLU  57          2HG       GLU  57  11.384  -0.783   7.094
  461   2HG   GLU  57          3HG       GLU  57  10.766  -2.274   6.404
  462    H    LEU  58           H        LEU  58   8.256  -4.035   9.230
  463    HA   LEU  58           HA       LEU  58   6.137  -2.875  10.997
  464   1HB   LEU  58          2HB       LEU  58   6.780  -5.686  10.064
  465   2HB   LEU  58          3HB       LEU  58   6.184  -5.480  11.691
  466    HG   LEU  58           HG       LEU  58   4.504  -6.100   9.937
  467   1HD1  LEU  58          1HD1      LEU  58   3.809  -5.316  12.127
  468   2HD1  LEU  58          2HD1      LEU  58   3.956  -3.626  11.617
  469   3HD1  LEU  58          3HD1      LEU  58   2.728  -4.675  10.881
  470   1HD2  LEU  58          1HD2      LEU  58   4.493  -3.166   9.172
  471   2HD2  LEU  58          2HD2      LEU  58   5.320  -4.410   8.226
  472   3HD2  LEU  58          3HD2      LEU  58   3.572  -4.518   8.468
  473    H    TYR  59           H        TYR  59   7.023  -2.094  12.843
  474    HA   TYR  59           HA       TYR  59   9.400  -3.548  13.944
  475   1HB   TYR  59          2HB       TYR  59   8.567  -0.655  14.314
  476   2HB   TYR  59          3HB       TYR  59   9.962  -1.445  15.041
  477    HD1  TYR  59           HD1      TYR  59  11.553  -2.723  13.251
  478    HD2  TYR  59           HD2      TYR  59   8.926   0.566  12.282
  479    HE1  TYR  59           HE1      TYR  59  12.933  -2.205  11.264
  480    HE2  TYR  59           HE2      TYR  59  10.330   1.098  10.317
  481    HH   TYR  59           HH       TYR  59  13.212  -0.824   9.447
  482    H    LEU  60           H        LEU  60   8.591  -5.024  15.192
  483    HA   LEU  60           HA       LEU  60   6.142  -4.676  16.761
  484   1HB   LEU  60          2HB       LEU  60   8.062  -6.951  16.166
  485   2HB   LEU  60          3HB       LEU  60   6.862  -7.115  17.433
  486    HG   LEU  60           HG       LEU  60   6.110  -6.398  14.571
  487   1HD1  LEU  60          1HD1      LEU  60   7.205  -8.604  14.605
  488   2HD1  LEU  60          2HD1      LEU  60   6.150  -9.126  15.936
  489   3HD1  LEU  60          3HD1      LEU  60   5.463  -8.771  14.330
  490   1HD2  LEU  60          1HD2      LEU  60   4.448  -7.579  16.843
  491   2HD2  LEU  60          2HD2      LEU  60   4.423  -5.876  16.395
  492   3HD2  LEU  60          3HD2      LEU  60   3.869  -7.098  15.238
  493    H    ASP  61           H        ASP  61   5.978  -4.986  19.015
  494    HA   ASP  61           HA       ASP  61   8.168  -3.937  20.624
  495   1HB   ASP  61          2HB       ASP  61   5.774  -3.733  21.273
  496   2HB   ASP  61          3HB       ASP  61   5.691  -5.488  21.462
  497    H    GLU  62           H        GLU  62   9.437  -5.086  22.145
  498    HA   GLU  62           HA       GLU  62  10.606  -7.506  21.010
  499   1HB   GLU  62          2HB       GLU  62  12.269  -7.315  22.768
  500   2HB   GLU  62          3HB       GLU  62  12.029  -5.787  21.932
  501   1HG   GLU  62          2HG       GLU  62  10.697  -4.920  23.814
  502   2HG   GLU  62          3HG       GLU  62  10.817  -6.475  24.645
  503    H    LEU  63           H        LEU  63   7.860  -7.369  22.446
  504    HA   LEU  63           HA       LEU  63   8.035  -9.983  23.833
  505   1HB   LEU  63          2HB       LEU  63   7.811  -7.919  25.299
  506   2HB   LEU  63          3HB       LEU  63   6.266  -7.601  24.523
  507    HG   LEU  63           HG       LEU  63   5.310  -9.637  25.528
  508   1HD1  LEU  63          1HD1      LEU  63   7.233 -11.148  25.559
  509   2HD1  LEU  63          2HD1      LEU  63   8.103 -10.074  26.681
  510   3HD1  LEU  63          3HD1      LEU  63   6.638 -10.937  27.207
  511   1HD2  LEU  63          1HD2      LEU  63   6.875  -7.997  27.556
  512   2HD2  LEU  63          2HD2      LEU  63   5.331  -7.529  26.814
  513   3HD2  LEU  63          3HD2      LEU  63   5.407  -8.952  27.871
  514    H    SER  64           H        SER  64   7.059  -8.634  21.026
  515    HA   SER  64           HA       SER  64   4.430 -10.068  20.833
  516   1HB   SER  64          2HB       SER  64   5.652  -7.876  19.115
  517   2HB   SER  64          3HB       SER  64   4.070  -8.628  18.860
  518    HG   SER  64           HG       SER  64   4.138  -6.545  19.946
  519    H    ASP  65           H        ASP  65   4.102 -11.612  19.216
  520    HA   ASP  65           HA       ASP  65   6.187 -12.114  17.191
  521   1HB   ASP  65          2HB       ASP  65   6.174 -14.476  17.738
  522   2HB   ASP  65          3HB       ASP  65   6.782 -13.497  19.061
  523    H    ALA  66           H        ALA  66   4.909 -11.353  15.652
  524    HA   ALA  66           HA       ALA  66   2.300 -12.500  14.982
  525   1HB   ALA  66          1HB       ALA  66   2.894 -10.084  14.673
  526   2HB   ALA  66          2HB       ALA  66   4.074 -10.567  13.429
  527   3HB   ALA  66          3HB       ALA  66   2.338 -10.854  13.184
  528    H    ASP  67           H        ASP  67   2.335 -12.728  12.222
  529    HA   ASP  67           HA       ASP  67   3.583 -15.344  11.914
  530   1HB   ASP  67          2HB       ASP  67   1.936 -13.644   9.983
  531   2HB   ASP  67          3HB       ASP  67   2.478 -15.279   9.653
  532    HA   PRO  68           HA       PRO  68   7.154 -13.837   9.586
  533   1HB   PRO  68          2HB       PRO  68   8.084 -16.148   8.480
  534   2HB   PRO  68          3HB       PRO  68   8.067 -15.863  10.242
  535   1HG   PRO  68          2HG       PRO  68   5.976 -17.335   8.600
  536   2HG   PRO  68          3HG       PRO  68   6.830 -17.911  10.071
  537   1HD   PRO  68          2HD       PRO  68   4.370 -16.756  10.204
  538   2HD   PRO  68          3HD       PRO  68   5.601 -16.463  11.468
  539    H    GLY  69           H        GLY  69   4.957 -13.016   8.475
  540   1HA   GLY  69          2HA       GLY  69   5.422 -12.548   5.704
  541   2HA   GLY  69          3HA       GLY  69   4.184 -13.798   5.861
  542    H    ILE  70           H        ILE  70   3.881 -11.671   8.563
  543    HA   ILE  70           HA       ILE  70   1.333 -10.927   7.923
  544    HB   ILE  70           HB       ILE  70   2.881 -10.773  10.123
  545   1HG1  ILE  70          2HG1      ILE  70   1.017  -9.265  11.116
  546   2HG1  ILE  70          3HG1      ILE  70   0.270  -9.375   9.526
  547   1HG2  ILE  70          1HG2      ILE  70   4.122  -8.727   9.496
  548   2HG2  ILE  70          2HG2      ILE  70   2.576  -7.822   9.477
  549   3HG2  ILE  70          3HG2      ILE  70   3.169  -8.544  10.975
  550   1HD1  ILE  70          1HD1      ILE  70   0.324 -11.874   9.733
  551   2HD1  ILE  70          2HD1      ILE  70   1.097 -11.717  11.322
  552   3HD1  ILE  70          3HD1      ILE  70  -0.547 -11.134  11.100
  553    H    VAL  71           H        VAL  71   4.231  -9.067   7.199
  554    HA   VAL  71           HA       VAL  71   2.746  -6.868   5.966
  555    HB   VAL  71           HB       VAL  71   4.682  -6.485   7.341
  556   1HG1  VAL  71          1HG1      VAL  71   6.129  -8.413   6.774
  557   2HG1  VAL  71          2HG1      VAL  71   6.388  -7.736   5.149
  558   3HG1  VAL  71          3HG1      VAL  71   6.977  -6.876   6.578
  559   1HG2  VAL  71          1HG2      VAL  71   5.195  -5.592   4.482
  560   2HG2  VAL  71          2HG2      VAL  71   4.020  -4.852   5.597
  561   3HG2  VAL  71          3HG2      VAL  71   5.753  -4.804   5.961
  562    H    ASP  72           H        ASP  72   4.380  -9.788   4.863
  563    HA   ASP  72           HA       ASP  72   4.749  -9.029   2.102
  564   1HB   ASP  72          2HB       ASP  72   5.847 -10.972   3.256
  565   2HB   ASP  72          3HB       ASP  72   4.283 -11.784   3.331
  566    H    GLU  73           H        GLU  73   2.129 -10.685   3.925
  567    HA   GLU  73           HA       GLU  73   0.211 -10.728   1.787
  568   1HB   GLU  73          2HB       GLU  73  -0.166 -10.549   4.799
  569   2HB   GLU  73          3HB       GLU  73  -1.460 -10.788   3.613
  570   1HG   GLU  73          2HG       GLU  73  -0.560 -12.935   2.942
  571   2HG   GLU  73          3HG       GLU  73   0.816 -12.734   4.047
  572    H    ALA  74           H        ALA  74   0.998  -8.077   4.179
  573    HA   ALA  74           HA       ALA  74  -1.279  -6.479   3.444
  574   1HB   ALA  74          1HB       ALA  74   0.196  -6.197   5.516
  575   2HB   ALA  74          2HB       ALA  74   1.407  -5.432   4.450
  576   3HB   ALA  74          3HB       ALA  74  -0.194  -4.709   4.640
  577    H    VAL  75           H        VAL  75   2.065  -6.587   2.251
  578    HA   VAL  75           HA       VAL  75   1.814  -4.456   0.324
  579    HB   VAL  75           HB       VAL  75   3.803  -6.697   0.818
  580   1HG1  VAL  75          1HG1      VAL  75   4.016  -6.308  -1.494
  581   2HG1  VAL  75          2HG1      VAL  75   3.927  -4.532  -1.311
  582   3HG1  VAL  75          3HG1      VAL  75   5.343  -5.438  -0.722
  583   1HG2  VAL  75          1HG2      VAL  75   4.012  -3.667   1.138
  584   2HG2  VAL  75          2HG2      VAL  75   3.672  -4.794   2.463
  585   3HG2  VAL  75          3HG2      VAL  75   5.224  -4.874   1.616
  586    H    ASP  76           H        ASP  76   1.737  -8.066  -0.124
  587    HA   ASP  76           HA       ASP  76   0.914  -8.158  -2.815
  588   1HB   ASP  76          2HB       ASP  76   1.576 -10.148  -1.711
  589   2HB   ASP  76          3HB       ASP  76   0.459  -9.884  -0.375
  590    H    ALA  77           H        ALA  77  -1.163  -7.785   0.134
  591    HA   ALA  77           HA       ALA  77  -3.637  -7.772  -1.312
  592   1HB   ALA  77          1HB       ALA  77  -3.519  -8.094   1.115
  593   2HB   ALA  77          2HB       ALA  77  -2.913  -6.439   1.351
  594   3HB   ALA  77          3HB       ALA  77  -4.557  -6.722   0.730
  595    H    ALA  78           H        ALA  78  -1.443  -5.029  -0.366
  596    HA   ALA  78           HA       ALA  78  -3.013  -3.023  -1.668
  597   1HB   ALA  78          1HB       ALA  78  -1.257  -2.523  -0.048
  598   2HB   ALA  78          2HB       ALA  78   0.005  -3.107  -1.159
  599   3HB   ALA  78          3HB       ALA  78  -0.958  -1.672  -1.567
  600    H    TYR  79           H        TYR  79  -0.333  -5.096  -3.024
  601    HA   TYR  79           HA       TYR  79  -0.407  -3.861  -5.610
  602   1HB   TYR  79          2HB       TYR  79   0.330  -6.672  -4.681
  603   2HB   TYR  79          3HB       TYR  79   0.494  -6.154  -6.342
  604    HD1  TYR  79           HD1      TYR  79   1.761  -3.735  -6.568
  605    HD2  TYR  79           HD2      TYR  79   2.376  -6.713  -3.481
  606    HE1  TYR  79           HE1      TYR  79   4.132  -3.020  -6.370
  607    HE2  TYR  79           HE2      TYR  79   4.818  -6.116  -3.475
  608    HH   TYR  79           HH       TYR  79   6.207  -3.459  -5.359
  609    H    ARG  80           H        ARG  80  -2.201  -6.802  -4.431
  610    HA   ARG  80           HA       ARG  80  -3.593  -7.088  -6.966
  611   1HB   ARG  80          2HB       ARG  80  -4.060  -8.363  -4.243
  612   2HB   ARG  80          3HB       ARG  80  -4.993  -8.743  -5.707
  613   1HG   ARG  80          2HG       ARG  80  -2.808  -9.220  -6.896
  614   2HG   ARG  80          3HG       ARG  80  -1.972  -9.084  -5.350
  615   1HD   ARG  80          2HD       ARG  80  -4.216 -11.050  -5.963
  616   2HD   ARG  80          3HD       ARG  80  -2.498 -11.409  -6.134
  617    HE   ARG  80           HE       ARG  80  -2.167 -11.001  -3.741
  618   1HH1  ARG  80          1HH2      ARG  80  -5.426 -11.888  -4.751
  619   2HH1  ARG  80          2HH2      ARG  80  -5.839 -12.546  -3.185
  620   1HH2  ARG  80          1HH1      ARG  80  -2.762 -11.776  -1.777
  621   2HH2  ARG  80          2HH1      ARG  80  -4.345 -12.497  -1.512
  622    H    SER  81           H        SER  81  -4.378  -5.310  -4.002
  623    HA   SER  81           HA       SER  81  -7.016  -4.515  -4.848
  624   1HB   SER  81          2HB       SER  81  -6.131  -4.242  -2.526
  625   2HB   SER  81          3HB       SER  81  -5.030  -2.980  -3.124
  626    HG   SER  81           HG       SER  81  -7.865  -2.996  -3.066
  627    H    LEU  82           H        LEU  82  -3.722  -3.073  -5.426
  628    HA   LEU  82           HA       LEU  82  -4.658  -0.906  -6.968
  629   1HB   LEU  82          2HB       LEU  82  -2.346  -1.237  -6.028
  630   2HB   LEU  82          3HB       LEU  82  -2.023  -2.384  -7.308
  631    HG   LEU  82           HG       LEU  82  -2.335  -0.652  -9.025
  632   1HD1  LEU  82          1HD1      LEU  82  -3.950   0.869  -8.021
  633   2HD1  LEU  82          2HD1      LEU  82  -2.825   1.260  -6.699
  634   3HD1  LEU  82          3HD1      LEU  82  -2.471   1.756  -8.367
  635   1HD2  LEU  82          1HD2      LEU  82  -0.429   0.154  -6.794
  636   2HD2  LEU  82          2HD2      LEU  82  -0.111  -1.012  -8.094
  637   3HD2  LEU  82          3HD2      LEU  82  -0.348   0.702  -8.483
  638    H    GLU  83           H        GLU  83  -3.638  -4.206  -8.108
  639    HA   GLU  83           HA       GLU  83  -4.193  -3.757 -10.876
  640   1HB   GLU  83          2HB       GLU  83  -4.492  -6.253  -9.156
  641   2HB   GLU  83          3HB       GLU  83  -4.661  -6.250 -10.914
  642   1HG   GLU  83          2HG       GLU  83  -2.365  -5.493 -11.207
  643   2HG   GLU  83          3HG       GLU  83  -2.131  -5.359  -9.464
  644    H    SER  84           H        SER  84  -6.379  -4.757  -8.236
  645    HA   SER  84           HA       SER  84  -8.743  -5.043  -9.835
  646   1HB   SER  84          2HB       SER  84  -8.587  -4.333  -6.886
  647   2HB   SER  84          3HB       SER  84  -9.932  -5.084  -7.736
  648    HG   SER  84           HG       SER  84  -7.346  -6.198  -7.182
  649    H    PHE  85           H        PHE  85  -7.433  -2.266  -8.008
  650    HA   PHE  85           HA       PHE  85  -9.527  -0.390  -8.570
  651   1HB   PHE  85          2HB       PHE  85  -7.881  -0.181  -6.773
  652   2HB   PHE  85          3HB       PHE  85  -6.564  -0.155  -7.918
  653    HD1  PHE  85           HD1      PHE  85  -8.722   1.854  -5.945
  654    HD2  PHE  85           HD2      PHE  85  -6.412   1.834  -9.584
  655    HE1  PHE  85           HE1      PHE  85  -8.533   4.324  -5.837
  656    HE2  PHE  85           HE2      PHE  85  -6.225   4.311  -9.474
  657    HZ   PHE  85           HZ       PHE  85  -7.281   5.557  -7.598
  658    H    LEU  86           H        LEU  86  -6.442  -1.164 -10.326
  659    HA   LEU  86           HA       LEU  86  -6.936   0.868 -12.301
  660   1HB   LEU  86          2HB       LEU  86  -4.711  -0.540 -11.550
  661   2HB   LEU  86          3HB       LEU  86  -5.176  -1.441 -12.995
  662    HG   LEU  86           HG       LEU  86  -5.191   0.768 -14.246
  663   1HD1  LEU  86          1HD1      LEU  86  -5.443   2.365 -12.371
  664   2HD1  LEU  86          2HD1      LEU  86  -3.919   1.804 -11.663
  665   3HD1  LEU  86          3HD1      LEU  86  -3.923   2.670 -13.211
  666   1HD2  LEU  86          1HD2      LEU  86  -2.588  -0.030 -12.874
  667   2HD2  LEU  86          2HD2      LEU  86  -3.267  -0.765 -14.342
  668   3HD2  LEU  86          3HD2      LEU  86  -2.713   0.922 -14.367
  669    H    ASP  87           H        ASP  87  -7.690  -2.638 -12.230
  670    HA   ASP  87           HA       ASP  87  -8.818  -2.870 -14.819
  671   1HB   ASP  87          2HB       ASP  87  -8.455  -4.708 -13.190
  672   2HB   ASP  87          3HB       ASP  87  -9.764  -4.079 -12.188
  673    H    GLY  88           H        GLY  88 -10.000  -1.116 -11.970
  674   1HA   GLY  88          2HA       GLY  88 -12.690  -0.647 -13.017
  675   2HA   GLY  88          3HA       GLY  88 -11.929   0.101 -11.606
  676    H    PHE  89           H        PHE  89  -9.670   0.665 -13.907
  677    HA   PHE  89           HA       PHE  89 -10.940   3.199 -14.863
  678   1HB   PHE  89          2HB       PHE  89  -8.320   2.853 -13.368
  679   2HB   PHE  89          3HB       PHE  89  -8.794   4.324 -14.192
  680    HD1  PHE  89           HD1      PHE  89  -8.519   3.076 -11.037
  681    HD2  PHE  89           HD2      PHE  89 -11.426   5.023 -13.545
  682    HE1  PHE  89           HE1      PHE  89  -9.720   3.883  -9.026
  683    HE2  PHE  89           HE2      PHE  89 -12.597   5.871 -11.539
  684    HZ   PHE  89           HZ       PHE  89 -11.753   5.294  -9.267
  685    H    ARG  90           H        ARG  90  -8.771   0.624 -15.671
  686    HA   ARG  90           HA       ARG  90  -8.178   1.941 -18.305
  687   1HB   ARG  90          2HB       ARG  90  -6.327   0.508 -16.366
  688   2HB   ARG  90          3HB       ARG  90  -5.987   0.585 -18.092
  689   1HG   ARG  90          2HG       ARG  90  -6.001   3.038 -18.044
  690   2HG   ARG  90          3HG       ARG  90  -6.371   3.034 -16.316
  691   1HD   ARG  90          2HD       ARG  90  -3.919   3.421 -16.926
  692   2HD   ARG  90          3HD       ARG  90  -4.249   2.177 -15.733
  693    HE   ARG  90           HE       ARG  90  -3.448   0.547 -17.128
  694   1HH1  ARG  90          1HH2      ARG  90  -3.881   3.387 -19.126
  695   2HH1  ARG  90          2HH2      ARG  90  -3.271   2.600 -20.560
  696   1HH2  ARG  90          1HH1      ARG  90  -2.767  -0.445 -19.000
  697   2HH2  ARG  90          2HH1      ARG  90  -2.625   0.466 -20.467
  698    H    GLU  91           H        GLU  91  -8.887  -1.099 -16.669
  699    HA   GLU  91           HA       GLU  91  -8.917  -3.250 -17.357
  700   1HB   GLU  91          2HB       GLU  91 -10.488  -3.811 -19.099
  701   2HB   GLU  91          3HB       GLU  91 -11.102  -2.583 -18.009
  702   1HG   GLU  91          2HG       GLU  91 -10.649  -0.828 -19.718
  703   2HG   GLU  91          3HG       GLU  91 -10.086  -2.071 -20.839
  Start of MODEL    8
    1    H    MET   1           H1       MET   1 -17.752   4.958 -13.070
    2    HA   MET   1           HA       MET   1 -16.103   5.170 -11.373
    3   1HB   MET   1          2HB       MET   1 -15.042   2.654 -12.697
    4   2HB   MET   1          3HB       MET   1 -13.994   3.711 -11.748
    5   1HG   MET   1          2HG       MET   1 -14.820   1.881 -10.383
    6   2HG   MET   1          3HG       MET   1 -15.356   3.441  -9.769
    7   1HE   MET   1          1HE       MET   1 -16.459   0.531  -8.900
    8   2HE   MET   1          2HE       MET   1 -16.962   2.068  -8.155
    9   3HE   MET   1          3HE       MET   1 -18.187   0.911  -8.726
   10    H    SER   2           H        SER   2 -14.329   6.626 -11.736
   11    HA   SER   2           HA       SER   2 -12.992   6.833 -14.247
   12   1HB   SER   2          2HB       SER   2 -15.252   7.893 -14.812
   13   2HB   SER   2          3HB       SER   2 -14.899   9.118 -13.580
   14    HG   SER   2           HG       SER   2 -13.588   8.595 -16.028
   15    H    LEU   3           H        LEU   3 -11.252   8.360 -14.074
   16    HA   LEU   3           HA       LEU   3 -10.840   9.848 -11.590
   17   1HB   LEU   3          2HB       LEU   3  -8.592   8.867 -11.366
   18   2HB   LEU   3          3HB       LEU   3  -9.935   7.744 -11.147
   19    HG   LEU   3           HG       LEU   3  -9.528   6.727 -13.338
   20   1HD1  LEU   3          1HD1      LEU   3  -8.452   8.466 -14.636
   21   2HD1  LEU   3          2HD1      LEU   3  -7.121   8.581 -13.464
   22   3HD1  LEU   3          3HD1      LEU   3  -7.324   7.124 -14.463
   23   1HD2  LEU   3          1HD2      LEU   3  -7.082   6.849 -11.527
   24   2HD2  LEU   3          2HD2      LEU   3  -8.524   5.849 -11.261
   25   3HD2  LEU   3          3HD2      LEU   3  -7.489   5.541 -12.665
   26    H    ARG   4           H        ARG   4  -8.496  11.095 -11.958
   27    HA   ARG   4           HA       ARG   4  -9.200  12.682 -14.398
   28   1HB   ARG   4          2HB       ARG   4  -7.681  13.477 -11.870
   29   2HB   ARG   4          3HB       ARG   4  -8.011  14.518 -13.232
   30   1HG   ARG   4          2HG       ARG   4  -9.585  15.137 -11.654
   31   2HG   ARG   4          3HG       ARG   4 -10.465  14.236 -12.878
   32   1HD   ARG   4          2HD       ARG   4 -11.284  13.774 -10.637
   33   2HD   ARG   4          3HD       ARG   4 -10.643  12.303 -11.355
   34    HE   ARG   4           HE       ARG   4  -8.467  12.943 -10.007
   35   1HH1  ARG   4          1HH2      ARG   4 -11.737  13.197  -8.699
   36   2HH1  ARG   4          2HH2      ARG   4 -11.132  13.178  -7.057
   37   1HH2  ARG   4          1HH1      ARG   4  -7.816  13.038  -8.091
   38   2HH2  ARG   4          2HH1      ARG   4  -8.882  13.028  -6.668
   39    H    LYS   5           H        LYS   5  -6.959  14.095 -14.825
   40    HA   LYS   5           HA       LYS   5  -5.095  12.345 -16.210
   41   1HB   LYS   5          2HB       LYS   5  -5.127  15.284 -15.420
   42   2HB   LYS   5          3HB       LYS   5  -3.610  14.530 -15.883
   43   1HG   LYS   5          2HG       LYS   5  -4.501  15.607 -17.794
   44   2HG   LYS   5          3HG       LYS   5  -4.522  13.863 -18.060
   45   1HD   LYS   5          2HD       LYS   5  -6.948  13.798 -17.599
   46   2HD   LYS   5          3HD       LYS   5  -6.956  15.538 -17.268
   47   1HE   LYS   5          2HE       LYS   5  -6.159  14.230 -19.912
   48   2HE   LYS   5          3HE       LYS   5  -7.757  14.904 -19.567
   49   1HZ   LYS   5          1HZ       LYS   5  -6.722  17.067 -19.263
   50   2HZ   LYS   5          2HZ       LYS   5  -5.232  16.447 -19.569
   51   3HZ   LYS   5          3HZ       LYS   5  -6.367  16.481 -20.758
   52    H    LEU   6           H        LEU   6  -3.512  11.118 -15.314
   53    HA   LEU   6           HA       LEU   6  -3.203  11.147 -12.434
   54   1HB   LEU   6          2HB       LEU   6  -1.695   9.598 -14.573
   55   2HB   LEU   6          3HB       LEU   6  -1.546   9.359 -12.833
   56    HG   LEU   6           HG       LEU   6  -4.035   8.868 -14.519
   57   1HD1  LEU   6          1HD1      LEU   6  -2.252   7.154 -14.670
   58   2HD1  LEU   6          2HD1      LEU   6  -2.272   6.983 -12.900
   59   3HD1  LEU   6          3HD1      LEU   6  -3.700   6.532 -13.855
   60   1HD2  LEU   6          1HD2      LEU   6  -3.676   8.684 -11.495
   61   2HD2  LEU   6          2HD2      LEU   6  -4.864   9.667 -12.395
   62   3HD2  LEU   6          3HD2      LEU   6  -5.001   7.912 -12.388
   63    H    THR   7           H        THR   7  -2.302  12.722 -11.519
   64    HA   THR   7           HA       THR   7   0.452  13.570 -12.025
   65    HB   THR   7           HB       THR   7  -1.046  15.070 -13.413
   66    HG1  THR   7           1HG      THR   7   0.765  16.035 -12.924
   67   1HG2  THR   7          1HG2      THR   7  -3.007  15.197 -11.842
   68   2HG2  THR   7          2HG2      THR   7  -2.012  16.194 -10.756
   69   3HG2  THR   7          3HG2      THR   7  -2.393  16.766 -12.386
   70    H    GLU   8           H        GLU   8   0.618  15.523 -10.195
   71    HA   GLU   8           HA       GLU   8   1.129  14.291  -7.815
   72   1HB   GLU   8          2HB       GLU   8   0.170  17.147  -8.221
   73   2HB   GLU   8          3HB       GLU   8   0.993  16.553  -6.773
   74   1HG   GLU   8          2HG       GLU   8   3.016  16.058  -8.029
   75   2HG   GLU   8          3HG       GLU   8   2.230  16.436  -9.562
   76    H    GLY   9           H        GLY   9  -2.040  15.882  -8.492
   77   1HA   GLY   9          2HA       GLY   9  -3.209  15.399  -5.945
   78   2HA   GLY   9          3HA       GLY   9  -4.093  15.635  -7.462
   79    H    ASP  10           H        ASP  10  -3.825  13.501  -8.966
   80    HA   ASP  10           HA       ASP  10  -5.319  11.476  -7.519
   81   1HB   ASP  10          2HB       ASP  10  -4.312  11.703 -10.376
   82   2HB   ASP  10          3HB       ASP  10  -5.056  10.223  -9.768
   83    H    LEU  11           H        LEU  11  -1.927  11.781  -8.520
   84    HA   LEU  11           HA       LEU  11  -1.227   9.026  -7.914
   85   1HB   LEU  11          2HB       LEU  11   0.428  11.561  -8.241
   86   2HB   LEU  11          3HB       LEU  11   1.113   9.960  -8.030
   87    HG   LEU  11           HG       LEU  11  -0.659  10.789 -10.378
   88   1HD1  LEU  11          1HD1      LEU  11   1.602  11.834 -10.376
   89   2HD1  LEU  11          2HD1      LEU  11   2.329  10.217 -10.273
   90   3HD1  LEU  11          3HD1      LEU  11   1.382  10.682 -11.705
   91   1HD2  LEU  11          1HD2      LEU  11   0.798   8.198  -9.806
   92   2HD2  LEU  11          2HD2      LEU  11  -0.951   8.418 -10.033
   93   3HD2  LEU  11          3HD2      LEU  11   0.157   8.639 -11.395
   94    H    ASP  12           H        ASP  12  -0.977  12.126  -5.998
   95    HA   ASP  12           HA       ASP  12   0.079  10.860  -3.673
   96   1HB   ASP  12          2HB       ASP  12  -1.615  13.365  -4.010
   97   2HB   ASP  12          3HB       ASP  12  -1.004  12.809  -2.460
   98    H    GLU  13           H        GLU  13  -3.355  11.500  -4.642
   99    HA   GLU  13           HA       GLU  13  -4.615  10.281  -2.409
  100   1HB   GLU  13          2HB       GLU  13  -5.411  10.591  -5.321
  101   2HB   GLU  13          3HB       GLU  13  -6.481   9.827  -4.155
  102   1HG   GLU  13          2HG       GLU  13  -5.359  12.596  -3.604
  103   2HG   GLU  13          3HG       GLU  13  -6.749  12.362  -4.663
  104    H    ILE  14           H        ILE  14  -3.534   8.702  -5.494
  105    HA   ILE  14           HA       ILE  14  -4.307   6.064  -4.633
  106    HB   ILE  14           HB       ILE  14  -2.394   7.106  -6.721
  107   1HG1  ILE  14          2HG1      ILE  14  -4.998   5.504  -6.903
  108   2HG1  ILE  14          3HG1      ILE  14  -4.937   7.258  -6.959
  109   1HG2  ILE  14          1HG2      ILE  14  -1.405   4.971  -6.003
  110   2HG2  ILE  14          2HG2      ILE  14  -2.989   4.171  -6.118
  111   3HG2  ILE  14          3HG2      ILE  14  -2.157   4.768  -7.573
  112   1HD1  ILE  14          1HD1      ILE  14  -3.509   7.125  -9.019
  113   2HD1  ILE  14          2HD1      ILE  14  -3.774   5.361  -9.028
  114   3HD1  ILE  14          3HD1      ILE  14  -5.146   6.461  -9.202
  115    H    SER  15           H        SER  15  -1.155   7.834  -4.248
  116    HA   SER  15           HA       SER  15   0.178   5.748  -2.873
  117   1HB   SER  15          2HB       SER  15   1.752   7.330  -2.246
  118   2HB   SER  15          3HB       SER  15   1.067   8.033  -3.708
  119    HG   SER  15           HG       SER  15  -0.351   9.279  -2.198
  120    H    SER  16           H        SER  16  -2.071   8.205  -1.588
  121    HA   SER  16           HA       SER  16  -1.931   7.422   1.169
  122   1HB   SER  16          2HB       SER  16  -2.819   9.589   0.368
  123   2HB   SER  16          3HB       SER  16  -4.189   8.754  -0.387
  124    HG   SER  16           HG       SER  16  -4.768   9.495   1.641
  125    H    PHE  17           H        PHE  17  -4.178   6.445  -1.506
  126    HA   PHE  17           HA       PHE  17  -5.735   4.618   0.022
  127   1HB   PHE  17          2HB       PHE  17  -6.413   5.375  -2.174
  128   2HB   PHE  17          3HB       PHE  17  -4.981   4.687  -2.919
  129    HD1  PHE  17           HD1      PHE  17  -4.947   2.445  -3.706
  130    HD2  PHE  17           HD2      PHE  17  -8.105   3.751  -1.077
  131    HE1  PHE  17           HE1      PHE  17  -6.136   0.295  -4.064
  132    HE2  PHE  17           HE2      PHE  17  -9.291   1.599  -1.438
  133    HZ   PHE  17           HZ       PHE  17  -8.306  -0.132  -2.926
  134    H    LEU  18           H        LEU  18  -2.659   4.049  -1.767
  135    HA   LEU  18           HA       LEU  18  -2.464   1.257  -1.122
  136   1HB   LEU  18          2HB       LEU  18  -0.363   3.367  -1.766
  137   2HB   LEU  18          3HB       LEU  18  -0.002   1.647  -1.622
  138    HG   LEU  18           HG       LEU  18  -1.980   2.800  -3.638
  139   1HD1  LEU  18          1HD1      LEU  18   0.301   3.594  -4.095
  140   2HD1  LEU  18          2HD1      LEU  18   0.913   1.929  -4.011
  141   3HD1  LEU  18          3HD1      LEU  18  -0.212   2.408  -5.303
  142   1HD2  LEU  18          1HD2      LEU  18  -0.779   0.030  -3.377
  143   2HD2  LEU  18          2HD2      LEU  18  -2.486   0.479  -3.154
  144   3HD2  LEU  18          3HD2      LEU  18  -1.736   0.653  -4.735
  145    H    HIS  19           H        HIS  19  -0.975   4.112   0.544
  146    HA   HIS  19           HA       HIS  19   0.243   2.597   2.608
  147   1HB   HIS  19          2HB       HIS  19   0.747   4.948   2.060
  148   2HB   HIS  19          3HB       HIS  19  -0.832   5.443   2.661
  149    HD1  HIS  19           HD1      HIS  19   0.833   7.027   4.267
  150    HD2  HIS  19           HD2      HIS  19   0.768   2.892   4.989
  151    HE1  HIS  19           HE1      HIS  19   1.817   6.668   6.601
  152    H    ASN  20           H        ASN  20  -3.034   4.145   2.581
  153    HA   ASN  20           HA       ASN  20  -3.802   3.144   5.164
  154   1HB   ASN  20          2HB       ASN  20  -5.397   4.101   2.758
  155   2HB   ASN  20          3HB       ASN  20  -6.155   3.515   4.240
  156   1HD2  ASN  20          2HD2      ASN  20  -4.233   6.167   2.877
  157   2HD2  ASN  20          1HD2      ASN  20  -4.492   7.213   4.277
  158    H    THR  21           H        THR  21  -4.048   1.625   1.894
  159    HA   THR  21           HA       THR  21  -5.624  -0.599   2.704
  160    HB   THR  21           HB       THR  21  -3.479  -0.465   0.541
  161    HG1  THR  21           1HG      THR  21  -5.107   1.004   0.177
  162   1HG2  THR  21          1HG2      THR  21  -3.991  -2.816   0.948
  163   2HG2  THR  21          2HG2      THR  21  -5.736  -2.461   0.980
  164   3HG2  THR  21          3HG2      THR  21  -4.818  -2.290  -0.528
  165    H    ILE  22           H        ILE  22  -2.034  -0.243   2.728
  166    HA   ILE  22           HA       ILE  22  -1.577  -2.860   3.899
  167    HB   ILE  22           HB       ILE  22   0.159  -0.362   3.894
  168   1HG1  ILE  22          2HG1      ILE  22   0.031  -2.776   2.042
  169   2HG1  ILE  22          3HG1      ILE  22  -0.378  -1.108   1.644
  170   1HG2  ILE  22          1HG2      ILE  22   0.843  -2.101   5.651
  171   2HG2  ILE  22          2HG2      ILE  22   1.076  -3.246   4.313
  172   3HG2  ILE  22          3HG2      ILE  22   2.060  -1.796   4.424
  173   1HD1  ILE  22          1HD1      ILE  22   2.069  -0.540   2.241
  174   2HD1  ILE  22          2HD1      ILE  22   2.336  -2.303   2.106
  175   3HD1  ILE  22          3HD1      ILE  22   1.676  -1.393   0.714
  176    H    SER  23           H        SER  23  -1.878   0.447   5.300
  177    HA   SER  23           HA       SER  23  -1.375  -0.265   7.988
  178   1HB   SER  23          2HB       SER  23  -1.584   2.070   7.021
  179   2HB   SER  23          3HB       SER  23  -3.347   1.857   7.067
  180    HG   SER  23           HG       SER  23  -1.494   1.953   9.199
  181    H    ASP  24           H        ASP  24  -4.626  -0.054   6.348
  182    HA   ASP  24           HA       ASP  24  -6.129  -1.185   8.434
  183   1HB   ASP  24          2HB       ASP  24  -6.464  -1.104   5.426
  184   2HB   ASP  24          3HB       ASP  24  -7.592  -1.994   6.423
  185    H    PHE  25           H        PHE  25  -4.296  -2.968   5.858
  186    HA   PHE  25           HA       PHE  25  -5.346  -5.538   6.583
  187   1HB   PHE  25          2HB       PHE  25  -4.077  -4.902   4.493
  188   2HB   PHE  25          3HB       PHE  25  -2.606  -4.864   5.440
  189    HD1  PHE  25           HD1      PHE  25  -4.669  -6.852   3.357
  190    HD2  PHE  25           HD2      PHE  25  -1.966  -7.130   6.710
  191    HE1  PHE  25           HE1      PHE  25  -4.311  -9.255   2.880
  192    HE2  PHE  25           HE2      PHE  25  -1.569  -9.511   6.188
  193    HZ   PHE  25           HZ       PHE  25  -2.766 -10.588   4.283
  194    H    ILE  26           H        ILE  26  -2.384  -3.767   7.718
  195    HA   ILE  26           HA       ILE  26  -1.552  -5.824   9.523
  196    HB   ILE  26           HB       ILE  26  -0.961  -2.852   9.216
  197   1HG1  ILE  26          2HG1      ILE  26   0.652  -5.381   8.583
  198   2HG1  ILE  26          3HG1      ILE  26  -0.197  -4.399   7.397
  199   1HG2  ILE  26          1HG2      ILE  26  -0.628  -3.504  11.583
  200   2HG2  ILE  26          2HG2      ILE  26   0.442  -4.825  11.049
  201   3HG2  ILE  26          3HG2      ILE  26   0.882  -3.123  10.781
  202   1HD1  ILE  26          1HD1      ILE  26   1.279  -2.442   8.065
  203   2HD1  ILE  26          2HD1      ILE  26   2.254  -3.610   8.995
  204   3HD1  ILE  26          3HD1      ILE  26   2.085  -3.796   7.247
  205    H    LEU  27           H        LEU  27  -3.363  -2.727  10.103
  206    HA   LEU  27           HA       LEU  27  -3.734  -3.198  12.883
  207   1HB   LEU  27          2HB       LEU  27  -4.950  -1.355  10.818
  208   2HB   LEU  27          3HB       LEU  27  -5.757  -1.499  12.348
  209    HG   LEU  27           HG       LEU  27  -4.243   0.433  12.218
  210   1HD1  LEU  27          1HD1      LEU  27  -4.917  -0.586  14.378
  211   2HD1  LEU  27          2HD1      LEU  27  -3.428  -1.558  14.367
  212   3HD1  LEU  27          3HD1      LEU  27  -3.340   0.216  14.440
  213   1HD2  LEU  27          1HD2      LEU  27  -1.945  -1.564  12.338
  214   2HD2  LEU  27          2HD2      LEU  27  -2.336  -0.502  10.965
  215   3HD2  LEU  27          3HD2      LEU  27  -1.829   0.198  12.503
  216    H    LYS  28           H        LYS  28  -5.481  -4.658  10.255
  217    HA   LYS  28           HA       LYS  28  -7.443  -5.735  12.247
  218   1HB   LYS  28          2HB       LYS  28  -7.654  -5.353   9.250
  219   2HB   LYS  28          3HB       LYS  28  -8.756  -6.392  10.151
  220   1HG   LYS  28          2HG       LYS  28  -9.518  -4.636  11.557
  221   2HG   LYS  28          3HG       LYS  28  -8.289  -3.505  11.002
  222   1HD   LYS  28          2HD       LYS  28 -10.356  -4.635   9.079
  223   2HD   LYS  28          3HD       LYS  28 -10.696  -3.245  10.130
  224   1HE   LYS  28          2HE       LYS  28  -8.636  -2.115   9.245
  225   2HE   LYS  28          3HE       LYS  28  -8.447  -3.421   8.076
  226   1HZ   LYS  28          1HZ       LYS  28 -10.505  -2.778   7.057
  227   2HZ   LYS  28          2HZ       LYS  28 -10.879  -1.733   8.286
  228   3HZ   LYS  28          3HZ       LYS  28  -9.652  -1.378   7.285
  229    H    ARG  29           H        ARG  29  -4.519  -6.678  11.055
  230    HA   ARG  29           HA       ARG  29  -5.307  -9.506  11.698
  231   1HB   ARG  29          2HB       ARG  29  -4.597  -8.986   9.322
  232   2HB   ARG  29          3HB       ARG  29  -2.973  -8.682   9.952
  233   1HG   ARG  29          2HG       ARG  29  -2.834 -11.015  10.752
  234   2HG   ARG  29          3HG       ARG  29  -4.522 -11.306  10.304
  235   1HD   ARG  29          2HD       ARG  29  -4.085 -11.142   7.999
  236   2HD   ARG  29          3HD       ARG  29  -2.548 -10.298   8.250
  237    HE   ARG  29           HE       ARG  29  -1.981 -12.713   9.400
  238   1HH1  ARG  29          1HH2      ARG  29  -3.244 -11.920   6.197
  239   2HH1  ARG  29          2HH2      ARG  29  -2.155 -13.085   5.426
  240   1HH2  ARG  29          1HH1      ARG  29  -0.733 -13.998   8.463
  241   2HH2  ARG  29          2HH1      ARG  29  -0.555 -14.076   6.665
  242    H    VAL  30           H        VAL  30  -3.094  -6.905  12.598
  243    HA   VAL  30           HA       VAL  30  -2.432  -8.490  15.019
  244    HB   VAL  30           HB       VAL  30  -0.543  -8.800  13.593
  245   1HG1  VAL  30          1HG1      VAL  30  -0.721  -6.943  12.018
  246   2HG1  VAL  30          2HG1      VAL  30  -0.330  -5.780  13.304
  247   3HG1  VAL  30          3HG1      VAL  30   0.879  -6.965  12.756
  248   1HG2  VAL  30          1HG2      VAL  30   0.181  -6.733  15.693
  249   2HG2  VAL  30          2HG2      VAL  30  -0.065  -8.479  15.952
  250   3HG2  VAL  30          3HG2      VAL  30   1.265  -7.921  14.940
  251    H    SER  31           H        SER  31  -2.261  -7.259  16.924
  252    HA   SER  31           HA       SER  31  -3.823  -4.789  16.828
  253   1HB   SER  31          2HB       SER  31  -4.190  -6.457  18.583
  254   2HB   SER  31          3HB       SER  31  -2.517  -6.272  19.139
  255    HG   SER  31           HG       SER  31  -4.123  -5.047  20.294
  256    H    ALA  32           H        ALA  32  -3.093  -2.734  17.017
  257    HA   ALA  32           HA       ALA  32  -0.484  -1.827  16.893
  258   1HB   ALA  32          1HB       ALA  32  -2.467  -0.438  16.522
  259   2HB   ALA  32          2HB       ALA  32  -2.880  -0.528  18.250
  260   3HB   ALA  32          3HB       ALA  32  -1.399   0.303  17.724
  261    H    LYS  33           H        LYS  33  -2.085  -3.164  19.755
  262    HA   LYS  33           HA       LYS  33  -0.120  -2.073  21.656
  263   1HB   LYS  33          2HB       LYS  33  -2.239  -4.250  21.910
  264   2HB   LYS  33          3HB       LYS  33  -1.173  -3.736  23.227
  265   1HG   LYS  33          2HG       LYS  33  -1.997  -1.407  23.016
  266   2HG   LYS  33          3HG       LYS  33  -3.115  -1.918  21.738
  267   1HD   LYS  33          2HD       LYS  33  -4.293  -3.398  23.316
  268   2HD   LYS  33          3HD       LYS  33  -3.109  -3.028  24.578
  269   1HE   LYS  33          2HE       LYS  33  -5.112  -1.727  24.981
  270   2HE   LYS  33          3HE       LYS  33  -3.770  -0.656  24.560
  271   1HZ   LYS  33          1HZ       LYS  33  -4.658  -0.534  22.312
  272   2HZ   LYS  33          2HZ       LYS  33  -5.909  -1.524  22.703
  273   3HZ   LYS  33          3HZ       LYS  33  -5.790  -0.035  23.394
  274    H    GLU  34           H        GLU  34   0.054  -4.587  19.352
  275    HA   GLU  34           HA       GLU  34   2.278  -5.992  20.752
  276   1HB   GLU  34          2HB       GLU  34   0.989  -6.453  18.026
  277   2HB   GLU  34          3HB       GLU  34   2.140  -7.509  18.809
  278   1HG   GLU  34          2HG       GLU  34   0.548  -8.126  20.528
  279   2HG   GLU  34          3HG       GLU  34  -0.606  -6.907  19.988
  280    H    ILE  35           H        ILE  35   1.706  -3.403  18.614
  281    HA   ILE  35           HA       ILE  35   4.130  -3.668  16.941
  282    HB   ILE  35           HB       ILE  35   1.657  -1.921  16.835
  283   1HG1  ILE  35          2HG1      ILE  35   1.367  -4.426  16.304
  284   2HG1  ILE  35          3HG1      ILE  35   0.739  -3.255  15.162
  285   1HG2  ILE  35          1HG2      ILE  35   3.372  -0.650  15.770
  286   2HG2  ILE  35          2HG2      ILE  35   3.921  -2.051  14.815
  287   3HG2  ILE  35          3HG2      ILE  35   2.326  -1.317  14.522
  288   1HD1  ILE  35          1HD1      ILE  35   2.476  -3.685  13.600
  289   2HD1  ILE  35          2HD1      ILE  35   3.455  -4.560  14.801
  290   3HD1  ILE  35          3HD1      ILE  35   1.942  -5.264  14.195
  291    H    VAL  36           H        VAL  36   5.859  -2.355  17.183
  292    HA   VAL  36           HA       VAL  36   5.843  -0.102  19.123
  293    HB   VAL  36           HB       VAL  36   7.986  -1.479  17.464
  294   1HG1  VAL  36          1HG1      VAL  36   8.535   0.867  17.227
  295   2HG1  VAL  36          2HG1      VAL  36   8.272   1.150  18.966
  296   3HG1  VAL  36          3HG1      VAL  36   9.625   0.136  18.409
  297   1HG2  VAL  36          1HG2      VAL  36   7.783  -0.874  20.444
  298   2HG2  VAL  36          2HG2      VAL  36   7.282  -2.397  19.695
  299   3HG2  VAL  36          3HG2      VAL  36   8.983  -1.907  19.630
  300    H    ASP  37           H        ASP  37   6.349  -0.693  15.581
  301    HA   ASP  37           HA       ASP  37   4.643   1.495  14.935
  302   1HB   ASP  37          2HB       ASP  37   7.120   2.496  15.538
  303   2HB   ASP  37          3HB       ASP  37   7.357   2.147  13.836
  304    H    ILE  38           H        ILE  38   4.901   2.080  12.477
  305    HA   ILE  38           HA       ILE  38   5.882  -0.168  10.817
  306    HB   ILE  38           HB       ILE  38   3.875   0.103   9.290
  307   1HG1  ILE  38          2HG1      ILE  38   2.490   1.195  11.781
  308   2HG1  ILE  38          3HG1      ILE  38   2.891   2.136  10.345
  309   1HG2  ILE  38          1HG2      ILE  38   4.362  -1.891  10.647
  310   2HG2  ILE  38          2HG2      ILE  38   3.352  -1.243  11.960
  311   3HG2  ILE  38          3HG2      ILE  38   2.642  -1.648  10.373
  312   1HD1  ILE  38          1HD1      ILE  38   1.424   0.615   8.981
  313   2HD1  ILE  38          2HD1      ILE  38   0.908  -0.167  10.496
  314   3HD1  ILE  38          3HD1      ILE  38   0.571   1.548  10.226
  315    H    ASP  39           H        ASP  39   6.732   0.426   8.906
  316    HA   ASP  39           HA       ASP  39   6.802   3.369   8.272
  317   1HB   ASP  39          2HB       ASP  39   9.066   1.377   8.554
  318   2HB   ASP  39          3HB       ASP  39   9.210   2.805   7.530
  319    H    ILE  40           H        ILE  40   5.701   3.587   6.418
  320    HA   ILE  40           HA       ILE  40   6.028   1.500   4.296
  321    HB   ILE  40           HB       ILE  40   3.555   2.947   5.255
  322   1HG1  ILE  40          2HG1      ILE  40   3.955  -0.008   4.718
  323   2HG1  ILE  40          3HG1      ILE  40   4.488   0.675   6.255
  324   1HG2  ILE  40          1HG2      ILE  40   3.473   3.032   2.798
  325   2HG2  ILE  40          2HG2      ILE  40   3.947   1.316   2.692
  326   3HG2  ILE  40          3HG2      ILE  40   2.368   1.779   3.352
  327   1HD1  ILE  40          1HD1      ILE  40   2.168   1.433   6.704
  328   2HD1  ILE  40          2HD1      ILE  40   1.661   0.620   5.196
  329   3HD1  ILE  40          3HD1      ILE  40   2.350  -0.328   6.534
  330    H    THR  41           H        THR  41   6.792   2.114   2.493
  331    HA   THR  41           HA       THR  41   6.839   5.009   1.728
  332    HB   THR  41           HB       THR  41   8.974   2.886   1.290
  333    HG1  THR  41           1HG      THR  41   8.744   3.908   3.384
  334   1HG2  THR  41          1HG2      THR  41   8.938   4.421  -0.624
  335   2HG2  THR  41          2HG2      THR  41   8.867   5.827   0.469
  336   3HG2  THR  41          3HG2      THR  41  10.318   4.803   0.416
  337    H    VAL  42           H        VAL  42   5.597   5.330   0.074
  338    HA   VAL  42           HA       VAL  42   5.140   3.267  -2.024
  339    HB   VAL  42           HB       VAL  42   3.037   4.752  -2.371
  340   1HG1  VAL  42          1HG1      VAL  42   2.870   2.463  -1.646
  341   2HG1  VAL  42          2HG1      VAL  42   3.298   2.899   0.028
  342   3HG1  VAL  42          3HG1      VAL  42   1.756   3.433  -0.672
  343   1HG2  VAL  42          1HG2      VAL  42   3.453   5.414   0.580
  344   2HG2  VAL  42          2HG2      VAL  42   3.606   6.583  -0.754
  345   3HG2  VAL  42          3HG2      VAL  42   2.055   5.809  -0.420
  346    H    LEU  43           H        LEU  43   6.083   3.727  -3.863
  347    HA   LEU  43           HA       LEU  43   6.691   6.580  -4.554
  348   1HB   LEU  43          2HB       LEU  43   8.204   4.033  -5.242
  349   2HB   LEU  43          3HB       LEU  43   8.616   5.645  -5.823
  350    HG   LEU  43           HG       LEU  43   8.621   4.789  -2.901
  351   1HD1  LEU  43          1HD1      LEU  43  10.368   3.645  -4.208
  352   2HD1  LEU  43          2HD1      LEU  43  10.946   5.211  -4.820
  353   3HD1  LEU  43          3HD1      LEU  43  11.072   4.823  -3.088
  354   1HD2  LEU  43          1HD2      LEU  43   9.635   7.341  -4.221
  355   2HD2  LEU  43          2HD2      LEU  43   8.268   7.205  -3.088
  356   3HD2  LEU  43          3HD2      LEU  43   9.908   6.880  -2.526
  357    H    VAL  44           H        VAL  44   6.067   7.278  -6.499
  358    HA   VAL  44           HA       VAL  44   5.132   5.370  -8.509
  359    HB   VAL  44           HB       VAL  44   3.139   5.892  -7.151
  360   1HG1  VAL  44          1HG1      VAL  44   3.666   8.246  -6.535
  361   2HG1  VAL  44          2HG1      VAL  44   3.338   8.734  -8.210
  362   3HG1  VAL  44          3HG1      VAL  44   2.047   8.025  -7.208
  363   1HG2  VAL  44          1HG2      VAL  44   2.962   6.964  -9.988
  364   2HG2  VAL  44          2HG2      VAL  44   2.985   5.247  -9.532
  365   3HG2  VAL  44          3HG2      VAL  44   1.652   6.268  -8.996
  366    H    GLU  45           H        GLU  45   5.608   5.954 -10.547
  367    HA   GLU  45           HA       GLU  45   6.545   8.679 -11.197
  368   1HB   GLU  45          2HB       GLU  45   8.429   7.505 -10.018
  369   2HB   GLU  45          3HB       GLU  45   8.411   6.266 -11.269
  370   1HG   GLU  45          2HG       GLU  45   9.045   7.938 -12.966
  371   2HG   GLU  45          3HG       GLU  45   8.914   9.229 -11.767
  372    H    TYR  46           H        TYR  46   7.091   8.856 -13.546
  373    HA   TYR  46           HA       TYR  46   6.066   6.668 -15.253
  374   1HB   TYR  46          2HB       TYR  46   4.199   8.310 -14.561
  375   2HB   TYR  46          3HB       TYR  46   4.996   9.489 -15.584
  376    HD1  TYR  46           HD1      TYR  46   2.629   6.869 -15.420
  377    HD2  TYR  46           HD2      TYR  46   5.476   8.683 -18.103
  378    HE1  TYR  46           HE1      TYR  46   1.437   5.866 -17.339
  379    HE2  TYR  46           HE2      TYR  46   4.307   7.631 -20.040
  380    HH   TYR  46           HH       TYR  46   1.421   5.575 -19.636
  381    H    THR  47           H        THR  47   7.923   6.306 -16.368
  382    HA   THR  47           HA       THR  47   8.919   8.520 -18.069
  383    HB   THR  47           HB       THR  47  10.769   6.827 -16.372
  384    HG1  THR  47           1HG      THR  47   9.600   9.050 -15.971
  385   1HG2  THR  47          1HG2      THR  47  11.765   7.005 -18.632
  386   2HG2  THR  47          2HG2      THR  47  11.414   8.749 -18.666
  387   3HG2  THR  47          3HG2      THR  47  12.594   8.093 -17.509
  388    H    ASP  48           H        ASP  48   8.037   7.795 -19.877
  389    HA   ASP  48           HA       ASP  48   7.282   6.551 -21.549
  390   1HB   ASP  48          2HB       ASP  48   9.835   4.966 -21.186
  391   2HB   ASP  48          3HB       ASP  48   8.790   4.949 -22.608
  392    H    GLU  49           H        GLU  49   7.929   4.643 -18.702
  393    HA   GLU  49           HA       GLU  49   5.377   3.219 -19.180
  394   1HB   GLU  49          2HB       GLU  49   6.254   1.220 -18.106
  395   2HB   GLU  49          3HB       GLU  49   7.150   1.597 -19.575
  396   1HG   GLU  49          2HG       GLU  49   9.021   2.502 -18.233
  397   2HG   GLU  49          3HG       GLU  49   8.101   2.242 -16.746
  398    H    LEU  50           H        LEU  50   4.358   2.525 -17.166
  399    HA   LEU  50           HA       LEU  50   4.455   4.651 -15.129
  400   1HB   LEU  50          2HB       LEU  50   2.381   3.744 -16.295
  401   2HB   LEU  50          3HB       LEU  50   2.600   2.238 -15.421
  402    HG   LEU  50           HG       LEU  50   2.121   4.964 -14.125
  403   1HD1  LEU  50          1HD1      LEU  50   0.214   4.218 -15.512
  404   2HD1  LEU  50          2HD1      LEU  50   0.189   2.665 -14.640
  405   3HD1  LEU  50          3HD1      LEU  50  -0.185   4.181 -13.790
  406   1HD2  LEU  50          1HD2      LEU  50   2.159   2.150 -12.955
  407   2HD2  LEU  50          2HD2      LEU  50   3.089   3.577 -12.432
  408   3HD2  LEU  50          3HD2      LEU  50   1.364   3.523 -12.156
  409    H    LYS  51           H        LYS  51   5.481   4.396 -13.216
  410    HA   LYS  51           HA       LYS  51   6.174   1.646 -12.249
  411   1HB   LYS  51          2HB       LYS  51   7.615   4.280 -11.784
  412   2HB   LYS  51          3HB       LYS  51   8.117   2.734 -11.125
  413   1HG   LYS  51          2HG       LYS  51   8.009   3.278 -14.129
  414   2HG   LYS  51          3HG       LYS  51   9.388   3.702 -13.136
  415   1HD   LYS  51          2HD       LYS  51   9.711   1.595 -14.324
  416   2HD   LYS  51          3HD       LYS  51   9.835   1.405 -12.568
  417   1HE   LYS  51          2HE       LYS  51   7.725   0.319 -12.418
  418   2HE   LYS  51          3HE       LYS  51   7.254   0.835 -14.055
  419   1HZ   LYS  51          1HZ       LYS  51   8.873  -0.569 -14.993
  420   2HZ   LYS  51          2HZ       LYS  51   9.467  -1.043 -13.518
  421   3HZ   LYS  51          3HZ       LYS  51   7.941  -1.484 -14.000
  422    H    VAL  52           H        VAL  52   5.332   1.072 -10.409
  423    HA   VAL  52           HA       VAL  52   4.706   3.038  -8.356
  424    HB   VAL  52           HB       VAL  52   2.539   2.838  -9.352
  425   1HG1  VAL  52          1HG1      VAL  52   2.788   0.629 -10.498
  426   2HG1  VAL  52          2HG1      VAL  52   2.594  -0.172  -8.922
  427   3HG1  VAL  52          3HG1      VAL  52   1.289   0.818  -9.598
  428   1HG2  VAL  52          1HG2      VAL  52   2.588   1.172  -6.794
  429   2HG2  VAL  52          2HG2      VAL  52   2.708   2.945  -6.873
  430   3HG2  VAL  52          3HG2      VAL  52   1.239   2.128  -7.434
  431    H    ASP  53           H        ASP  53   5.693   2.398  -6.612
  432    HA   ASP  53           HA       ASP  53   6.477  -0.474  -6.287
  433   1HB   ASP  53          2HB       ASP  53   8.245   2.005  -6.330
  434   2HB   ASP  53          3HB       ASP  53   8.767   0.413  -5.785
  435    H    ILE  54           H        ILE  54   6.408  -1.175  -4.256
  436    HA   ILE  54           HA       ILE  54   5.779   0.781  -2.086
  437    HB   ILE  54           HB       ILE  54   4.411  -1.888  -2.533
  438   1HG1  ILE  54          2HG1      ILE  54   3.335   0.853  -3.312
  439   2HG1  ILE  54          3HG1      ILE  54   3.764  -0.449  -4.421
  440   1HG2  ILE  54          1HG2      ILE  54   4.498  -0.941  -0.195
  441   2HG2  ILE  54          2HG2      ILE  54   3.611   0.472  -0.787
  442   3HG2  ILE  54          3HG2      ILE  54   2.892  -1.153  -0.878
  443   1HD1  ILE  54          1HD1      ILE  54   2.018  -1.905  -3.383
  444   2HD1  ILE  54          2HD1      ILE  54   1.480  -0.519  -2.410
  445   3HD1  ILE  54          3HD1      ILE  54   1.397  -0.452  -4.196
  446    H    SER  55           H        SER  55   6.970   0.556  -0.375
  447    HA   SER  55           HA       SER  55   8.119  -2.107   0.392
  448   1HB   SER  55          2HB       SER  55   9.373   0.663   0.589
  449   2HB   SER  55          3HB       SER  55  10.011  -0.791   1.382
  450    HG   SER  55           HG       SER  55  10.964  -0.318  -0.695
  451    H    ALA  56           H        ALA  56   7.573  -2.705   2.453
  452    HA   ALA  56           HA       ALA  56   6.620  -0.628   4.351
  453   1HB   ALA  56          1HB       ALA  56   4.643  -1.716   3.324
  454   2HB   ALA  56          2HB       ALA  56   5.275  -3.302   3.833
  455   3HB   ALA  56          3HB       ALA  56   4.794  -2.104   5.052
  456    H    GLU  57           H        GLU  57   7.391  -0.814   6.325
  457    HA   GLU  57           HA       GLU  57   8.891  -3.254   7.136
  458   1HB   GLU  57          2HB       GLU  57   9.653  -0.423   7.029
  459   2HB   GLU  57          3HB       GLU  57   9.742  -1.015   8.682
  460   1HG   GLU  57          2HG       GLU  57  11.064  -2.399   6.317
  461   2HG   GLU  57          3HG       GLU  57  11.829  -1.191   7.363
  462    H    LEU  58           H        LEU  58   8.805  -3.855   9.247
  463    HA   LEU  58           HA       LEU  58   6.326  -3.019  10.709
  464   1HB   LEU  58          2HB       LEU  58   5.772  -4.927   9.308
  465   2HB   LEU  58          3HB       LEU  58   7.188  -5.812   9.883
  466    HG   LEU  58           HG       LEU  58   6.218  -5.907  12.170
  467   1HD1  LEU  58          1HD1      LEU  58   3.846  -4.497  10.871
  468   2HD1  LEU  58          2HD1      LEU  58   3.776  -5.373  12.409
  469   3HD1  LEU  58          3HD1      LEU  58   4.796  -3.936  12.273
  470   1HD2  LEU  58          1HD2      LEU  58   4.334  -6.893  10.005
  471   2HD2  LEU  58          2HD2      LEU  58   5.820  -7.713  10.536
  472   3HD2  LEU  58          3HD2      LEU  58   4.468  -7.523  11.663
  473    H    TYR  59           H        TYR  59   7.070  -2.189  12.601
  474    HA   TYR  59           HA       TYR  59   9.237  -3.722  13.974
  475   1HB   TYR  59          2HB       TYR  59   8.477  -0.803  14.213
  476   2HB   TYR  59          3HB       TYR  59   9.728  -1.629  15.141
  477    HD1  TYR  59           HD1      TYR  59  11.129  -3.323  13.174
  478    HD2  TYR  59           HD2      TYR  59   9.535   0.666  12.612
  479    HE1  TYR  59           HE1      TYR  59  12.658  -2.969  11.300
  480    HE2  TYR  59           HE2      TYR  59  11.153   1.033  10.790
  481    HH   TYR  59           HH       TYR  59  12.926  -1.706   9.422
  482    H    LEU  60           H        LEU  60   8.368  -5.172  15.063
  483    HA   LEU  60           HA       LEU  60   5.955  -4.841  16.725
  484   1HB   LEU  60          2HB       LEU  60   7.756  -7.137  15.864
  485   2HB   LEU  60          3HB       LEU  60   6.628  -7.343  17.191
  486    HG   LEU  60           HG       LEU  60   5.687  -6.342  14.478
  487   1HD1  LEU  60          1HD1      LEU  60   6.781  -8.521  14.130
  488   2HD1  LEU  60          2HD1      LEU  60   5.820  -9.228  15.449
  489   3HD1  LEU  60          3HD1      LEU  60   5.024  -8.651  13.963
  490   1HD2  LEU  60          1HD2      LEU  60   4.232  -7.808  16.726
  491   2HD2  LEU  60          2HD2      LEU  60   4.179  -6.063  16.474
  492   3HD2  LEU  60          3HD2      LEU  60   3.514  -7.150  15.242
  493    H    ASP  61           H        ASP  61   5.968  -5.257  18.976
  494    HA   ASP  61           HA       ASP  61   8.311  -4.324  20.420
  495   1HB   ASP  61          2HB       ASP  61   6.001  -4.121  21.319
  496   2HB   ASP  61          3HB       ASP  61   5.934  -5.881  21.494
  497    H    GLU  62           H        GLU  62   9.647  -5.488  21.796
  498    HA   GLU  62           HA       GLU  62  10.879  -7.864  20.621
  499   1HB   GLU  62          2HB       GLU  62  11.483  -6.099  23.023
  500   2HB   GLU  62          3HB       GLU  62  12.492  -7.478  22.595
  501   1HG   GLU  62          2HG       GLU  62  11.956  -5.283  20.567
  502   2HG   GLU  62          3HG       GLU  62  13.197  -5.132  21.803
  503    H    LEU  63           H        LEU  63   8.380  -8.477  21.365
  504    HA   LEU  63           HA       LEU  63   8.488 -10.621  23.346
  505   1HB   LEU  63          2HB       LEU  63   8.220  -8.540  24.701
  506   2HB   LEU  63          3HB       LEU  63   6.805  -8.101  23.752
  507    HG   LEU  63           HG       LEU  63   5.563 -10.032  24.660
  508   1HD1  LEU  63          1HD1      LEU  63   7.364 -11.647  25.051
  509   2HD1  LEU  63          2HD1      LEU  63   8.111 -10.570  26.255
  510   3HD1  LEU  63          3HD1      LEU  63   6.528 -11.321  26.572
  511   1HD2  LEU  63          1HD2      LEU  63   6.930  -8.370  26.816
  512   2HD2  LEU  63          2HD2      LEU  63   5.549  -7.852  25.829
  513   3HD2  LEU  63          3HD2      LEU  63   5.365  -9.208  26.959
  514    H    SER  64           H        SER  64   6.711  -8.733  20.877
  515    HA   SER  64           HA       SER  64   4.324 -10.325  20.819
  516   1HB   SER  64          2HB       SER  64   5.586  -8.507  18.730
  517   2HB   SER  64          3HB       SER  64   3.892  -9.036  18.769
  518    HG   SER  64           HG       SER  64   4.352  -6.868  19.661
  519    H    ASP  65           H        ASP  65   3.619 -11.829  19.200
  520    HA   ASP  65           HA       ASP  65   5.600 -12.860  17.269
  521   1HB   ASP  65          2HB       ASP  65   5.063 -15.134  17.885
  522   2HB   ASP  65          3HB       ASP  65   5.813 -14.260  19.209
  523    H    ALA  66           H        ALA  66   4.587 -11.890  15.673
  524    HA   ALA  66           HA       ALA  66   1.810 -12.523  14.924
  525   1HB   ALA  66          1HB       ALA  66   2.736 -10.199  14.827
  526   2HB   ALA  66          2HB       ALA  66   3.882 -10.742  13.575
  527   3HB   ALA  66          3HB       ALA  66   2.133 -10.768  13.267
  528    H    ASP  67           H        ASP  67   1.911 -12.562  12.131
  529    HA   ASP  67           HA       ASP  67   2.796 -15.307  11.740
  530   1HB   ASP  67          2HB       ASP  67   1.684 -13.471   9.587
  531   2HB   ASP  67          3HB       ASP  67   1.711 -15.216   9.600
  532    HA   PRO  68           HA       PRO  68   6.679 -14.226   9.727
  533   1HB   PRO  68          2HB       PRO  68   7.374 -16.594   8.562
  534   2HB   PRO  68          3HB       PRO  68   7.253 -16.387  10.329
  535   1HG   PRO  68          2HG       PRO  68   5.117 -17.468   8.458
  536   2HG   PRO  68          3HG       PRO  68   5.769 -18.235   9.946
  537   1HD   PRO  68          2HD       PRO  68   3.490 -16.757   9.989
  538   2HD   PRO  68          3HD       PRO  68   4.658 -16.688  11.342
  539    H    GLY  69           H        GLY  69   4.515 -13.186   8.436
  540   1HA   GLY  69          2HA       GLY  69   5.521 -12.427   5.919
  541   2HA   GLY  69          3HA       GLY  69   4.286 -13.651   5.611
  542    H    ILE  70           H        ILE  70   3.650 -11.689   8.455
  543    HA   ILE  70           HA       ILE  70   1.110 -11.096   7.488
  544    HB   ILE  70           HB       ILE  70   2.032 -11.334   9.864
  545   1HG1  ILE  70          2HG1      ILE  70   0.041  -9.077   9.473
  546   2HG1  ILE  70          3HG1      ILE  70  -0.327 -10.788   9.210
  547   1HG2  ILE  70          1HG2      ILE  70   3.731  -9.474   9.675
  548   2HG2  ILE  70          2HG2      ILE  70   2.364  -8.324   9.774
  549   3HG2  ILE  70          3HG2      ILE  70   2.717  -9.423  11.111
  550   1HD1  ILE  70          1HD1      ILE  70  -0.994 -10.105  11.477
  551   2HD1  ILE  70          2HD1      ILE  70   0.299 -11.326  11.527
  552   3HD1  ILE  70          3HD1      ILE  70   0.654  -9.610  11.835
  553    H    VAL  71           H        VAL  71   3.988  -9.067   7.332
  554    HA   VAL  71           HA       VAL  71   2.468  -6.784   6.261
  555    HB   VAL  71           HB       VAL  71   4.139  -6.214   7.773
  556   1HG1  VAL  71          1HG1      VAL  71   5.737  -8.097   7.620
  557   2HG1  VAL  71          2HG1      VAL  71   6.232  -7.560   6.001
  558   3HG1  VAL  71          3HG1      VAL  71   6.571  -6.555   7.415
  559   1HG2  VAL  71          1HG2      VAL  71   5.196  -5.447   5.034
  560   2HG2  VAL  71          2HG2      VAL  71   3.785  -4.709   5.823
  561   3HG2  VAL  71          3HG2      VAL  71   5.396  -4.555   6.552
  562    H    ASP  72           H        ASP  72   4.827  -9.259   5.073
  563    HA   ASP  72           HA       ASP  72   5.081  -8.401   2.442
  564   1HB   ASP  72          2HB       ASP  72   4.771 -11.295   3.344
  565   2HB   ASP  72          3HB       ASP  72   5.695 -10.684   1.976
  566    H    GLU  73           H        GLU  73   2.538 -10.510   3.841
  567    HA   GLU  73           HA       GLU  73   0.871 -10.665   1.504
  568   1HB   GLU  73          2HB       GLU  73   0.242 -10.894   4.472
  569   2HB   GLU  73          3HB       GLU  73  -0.913 -11.198   3.171
  570   1HG   GLU  73          2HG       GLU  73   0.457 -13.030   2.295
  571   2HG   GLU  73          3HG       GLU  73   1.672 -12.764   3.552
  572    H    ALA  74           H        ALA  74   1.143  -8.092   4.046
  573    HA   ALA  74           HA       ALA  74  -1.273  -6.737   3.205
  574   1HB   ALA  74          1HB       ALA  74  -0.051  -6.395   5.420
  575   2HB   ALA  74          2HB       ALA  74   1.175  -5.485   4.513
  576   3HB   ALA  74          3HB       ALA  74  -0.488  -4.913   4.541
  577    H    VAL  75           H        VAL  75   2.213  -6.452   2.277
  578    HA   VAL  75           HA       VAL  75   1.723  -4.258   0.479
  579    HB   VAL  75           HB       VAL  75   4.038  -6.120  -0.016
  580   1HG1  VAL  75          1HG1      VAL  75   3.484  -3.974  -1.338
  581   2HG1  VAL  75          2HG1      VAL  75   3.822  -3.094   0.155
  582   3HG1  VAL  75          3HG1      VAL  75   5.113  -4.028  -0.626
  583   1HG2  VAL  75          1HG2      VAL  75   3.722  -4.378   2.440
  584   2HG2  VAL  75          2HG2      VAL  75   4.465  -5.993   2.258
  585   3HG2  VAL  75          3HG2      VAL  75   5.319  -4.588   1.673
  586    H    ASP  76           H        ASP  76   2.031  -7.808  -0.125
  587    HA   ASP  76           HA       ASP  76   1.384  -7.842  -2.879
  588   1HB   ASP  76          2HB       ASP  76   2.154  -9.838  -1.924
  589   2HB   ASP  76          3HB       ASP  76   1.061  -9.722  -0.546
  590    H    ALA  77           H        ALA  77  -0.870  -7.801  -0.047
  591    HA   ALA  77           HA       ALA  77  -3.256  -7.825  -1.621
  592   1HB   ALA  77          1HB       ALA  77  -3.238  -8.309   0.782
  593   2HB   ALA  77          2HB       ALA  77  -2.763  -6.636   1.143
  594   3HB   ALA  77          3HB       ALA  77  -4.350  -6.974   0.419
  595    H    ALA  78           H        ALA  78  -1.217  -5.045  -0.493
  596    HA   ALA  78           HA       ALA  78  -2.849  -3.037  -1.733
  597   1HB   ALA  78          1HB       ALA  78  -1.161  -2.563  -0.017
  598   2HB   ALA  78          2HB       ALA  78   0.150  -2.957  -1.153
  599   3HB   ALA  78          3HB       ALA  78  -0.916  -1.580  -1.467
  600    H    TYR  79           H        TYR  79  -0.007  -4.884  -3.046
  601    HA   TYR  79           HA       TYR  79   0.030  -3.578  -5.581
  602   1HB   TYR  79          2HB       TYR  79   0.872  -6.358  -4.660
  603   2HB   TYR  79          3HB       TYR  79   1.070  -5.834  -6.317
  604    HD1  TYR  79           HD1      TYR  79   2.263  -3.504  -6.668
  605    HD2  TYR  79           HD2      TYR  79   2.790  -6.098  -3.242
  606    HE1  TYR  79           HE1      TYR  79   4.506  -2.506  -6.265
  607    HE2  TYR  79           HE2      TYR  79   5.049  -5.109  -2.872
  608    HH   TYR  79           HH       TYR  79   6.487  -3.297  -3.421
  609    H    ARG  80           H        ARG  80  -1.718  -6.609  -4.618
  610    HA   ARG  80           HA       ARG  80  -2.999  -6.865  -7.217
  611   1HB   ARG  80          2HB       ARG  80  -3.546  -8.148  -4.522
  612   2HB   ARG  80          3HB       ARG  80  -4.454  -8.525  -6.003
  613   1HG   ARG  80          2HG       ARG  80  -2.334  -9.107  -7.170
  614   2HG   ARG  80          3HG       ARG  80  -1.428  -8.829  -5.677
  615   1HD   ARG  80          2HD       ARG  80  -3.620 -10.917  -6.047
  616   2HD   ARG  80          3HD       ARG  80  -1.887 -11.216  -6.137
  617    HE   ARG  80           HE       ARG  80  -1.589 -10.773  -3.838
  618   1HH1  ARG  80          1HH2      ARG  80  -5.013 -10.668  -4.660
  619   2HH1  ARG  80          2HH2      ARG  80  -5.527 -10.870  -3.001
  620   1HH2  ARG  80          1HH1      ARG  80  -2.284 -11.086  -1.777
  621   2HH2  ARG  80          2HH1      ARG  80  -3.997 -11.101  -1.368
  622    H    SER  81           H        SER  81  -3.924  -5.160  -4.248
  623    HA   SER  81           HA       SER  81  -6.568  -4.424  -5.141
  624   1HB   SER  81          2HB       SER  81  -4.684  -2.848  -3.339
  625   2HB   SER  81          3HB       SER  81  -6.419  -2.563  -3.566
  626    HG   SER  81           HG       SER  81  -5.112  -4.813  -2.424
  627    H    LEU  82           H        LEU  82  -3.336  -2.843  -5.575
  628    HA   LEU  82           HA       LEU  82  -4.289  -0.654  -7.093
  629   1HB   LEU  82          2HB       LEU  82  -2.055  -1.038  -5.935
  630   2HB   LEU  82          3HB       LEU  82  -1.558  -2.017  -7.278
  631    HG   LEU  82           HG       LEU  82  -0.752   0.398  -7.164
  632   1HD1  LEU  82          1HD1      LEU  82  -0.404  -0.880  -9.158
  633   2HD1  LEU  82          2HD1      LEU  82  -2.055  -0.603  -9.715
  634   3HD1  LEU  82          3HD1      LEU  82  -0.936   0.754  -9.622
  635   1HD2  LEU  82          1HD2      LEU  82  -3.492   1.084  -8.284
  636   2HD2  LEU  82          2HD2      LEU  82  -2.951   1.460  -6.633
  637   3HD2  LEU  82          3HD2      LEU  82  -2.122   2.175  -8.025
  638    H    GLU  83           H        GLU  83  -2.983  -3.816  -8.187
  639    HA   GLU  83           HA       GLU  83  -3.289  -3.495 -10.987
  640   1HB   GLU  83          2HB       GLU  83  -2.066  -5.290  -9.839
  641   2HB   GLU  83          3HB       GLU  83  -3.567  -5.890  -9.134
  642   1HG   GLU  83          2HG       GLU  83  -4.379  -6.542 -11.374
  643   2HG   GLU  83          3HG       GLU  83  -2.893  -5.900 -12.095
  644    H    SER  84           H        SER  84  -5.654  -4.645  -8.549
  645    HA   SER  84           HA       SER  84  -7.854  -4.991 -10.377
  646   1HB   SER  84          2HB       SER  84  -7.989  -4.362  -7.399
  647   2HB   SER  84          3HB       SER  84  -9.231  -5.134  -8.397
  648    HG   SER  84           HG       SER  84  -6.675  -6.161  -7.624
  649    H    PHE  85           H        PHE  85  -6.731  -2.193  -8.443
  650    HA   PHE  85           HA       PHE  85  -9.037  -0.578  -8.794
  651   1HB   PHE  85          2HB       PHE  85  -7.331  -0.298  -7.061
  652   2HB   PHE  85          3HB       PHE  85  -6.120   0.104  -8.259
  653    HD1  PHE  85           HD1      PHE  85  -6.764   2.252  -9.787
  654    HD2  PHE  85           HD2      PHE  85  -8.197   1.432  -5.812
  655    HE1  PHE  85           HE1      PHE  85  -6.970   4.690  -9.359
  656    HE2  PHE  85           HE2      PHE  85  -8.414   3.864  -5.385
  657    HZ   PHE  85           HZ       PHE  85  -7.793   5.500  -7.156
  658    H    LEU  86           H        LEU  86  -5.975  -0.690 -10.829
  659    HA   LEU  86           HA       LEU  86  -7.086   1.450 -12.491
  660   1HB   LEU  86          2HB       LEU  86  -4.720  -0.403 -12.914
  661   2HB   LEU  86          3HB       LEU  86  -5.314   0.668 -14.170
  662    HG   LEU  86           HG       LEU  86  -3.501   1.775 -13.196
  663   1HD1  LEU  86          1HD1      LEU  86  -5.511   3.231 -13.622
  664   2HD1  LEU  86          2HD1      LEU  86  -5.889   3.142 -11.889
  665   3HD1  LEU  86          3HD1      LEU  86  -4.369   3.871 -12.426
  666   1HD2  LEU  86          1HD2      LEU  86  -4.735   1.474 -10.438
  667   2HD2  LEU  86          2HD2      LEU  86  -3.381   0.537 -11.085
  668   3HD2  LEU  86          3HD2      LEU  86  -3.210   2.285 -10.844
  669    H    ASP  87           H        ASP  87  -7.198  -2.108 -12.735
  670    HA   ASP  87           HA       ASP  87  -8.605  -2.236 -15.225
  671   1HB   ASP  87          2HB       ASP  87  -7.721  -4.208 -14.104
  672   2HB   ASP  87          3HB       ASP  87  -8.737  -3.929 -12.693
  673    H    GLY  88           H        GLY  88  -9.704  -1.659 -11.843
  674   1HA   GLY  88          2HA       GLY  88 -12.494  -1.414 -12.462
  675   2HA   GLY  88          3HA       GLY  88 -11.676  -0.940 -10.967
  676    H    PHE  89           H        PHE  89 -10.062   0.766 -13.286
  677    HA   PHE  89           HA       PHE  89 -12.026   3.033 -13.359
  678   1HB   PHE  89          2HB       PHE  89  -9.125   3.002 -12.515
  679   2HB   PHE  89          3HB       PHE  89  -9.804   4.433 -13.258
  680    HD1  PHE  89           HD1      PHE  89  -9.360   2.793 -10.142
  681    HD2  PHE  89           HD2      PHE  89 -11.963   5.425 -12.290
  682    HE1  PHE  89           HE1      PHE  89 -10.362   3.515  -7.998
  683    HE2  PHE  89           HE2      PHE  89 -12.931   6.227 -10.121
  684    HZ   PHE  89           HZ       PHE  89 -12.149   5.246  -7.985
  685    H    ARG  90           H        ARG  90  -9.747   1.142 -15.227
  686    HA   ARG  90           HA       ARG  90 -10.319   2.885 -17.605
  687   1HB   ARG  90          2HB       ARG  90  -7.630   1.688 -16.883
  688   2HB   ARG  90          3HB       ARG  90  -7.984   2.767 -18.231
  689   1HG   ARG  90          2HG       ARG  90  -8.521   4.591 -16.563
  690   2HG   ARG  90          3HG       ARG  90  -7.951   3.511 -15.274
  691   1HD   ARG  90          2HD       ARG  90  -6.342   4.565 -17.627
  692   2HD   ARG  90          3HD       ARG  90  -6.155   5.010 -15.918
  693    HE   ARG  90           HE       ARG  90  -5.871   2.185 -16.202
  694   1HH1  ARG  90          1HH2      ARG  90  -4.059   5.056 -17.031
  695   2HH1  ARG  90          2HH2      ARG  90  -2.532   4.213 -17.098
  696   1HH2  ARG  90          1HH1      ARG  90  -3.918   1.124 -16.345
  697   2HH2  ARG  90          2HH1      ARG  90  -2.460   2.009 -16.673
  698    H    GLU  91           H        GLU  91  -9.996  -0.394 -16.439
  699    HA   GLU  91           HA       GLU  91  -9.769  -2.411 -17.425
  700   1HB   GLU  91          2HB       GLU  91 -11.930  -1.494 -18.501
  701   2HB   GLU  91          3HB       GLU  91 -10.981  -1.307 -19.973
  702   1HG   GLU  91          2HG       GLU  91 -10.471  -3.766 -19.905
  703   2HG   GLU  91          3HG       GLU  91 -11.415  -3.903 -18.423
  Start of MODEL    9
    1    H    MET   1           H1       MET   1 -12.199   4.866 -16.113
    2    HA   MET   1           HA       MET   1 -11.347   6.955 -15.809
    3   1HB   MET   1          2HB       MET   1 -12.592   8.996 -16.024
    4   2HB   MET   1          3HB       MET   1 -12.800   8.064 -17.507
    5   1HG   MET   1          2HG       MET   1 -15.041   7.305 -16.676
    6   2HG   MET   1          3HG       MET   1 -14.814   8.298 -15.229
    7   1HE   MET   1          1HE       MET   1 -17.419   8.556 -16.852
    8   2HE   MET   1          2HE       MET   1 -17.014   9.600 -15.468
    9   3HE   MET   1          3HE       MET   1 -17.585  10.322 -16.989
   10    H    SER   2           H        SER   2 -11.439   8.217 -13.802
   11    HA   SER   2           HA       SER   2 -13.578   8.184 -11.963
   12   1HB   SER   2          2HB       SER   2 -13.140   5.868 -11.497
   13   2HB   SER   2          3HB       SER   2 -11.389   6.145 -11.399
   14    HG   SER   2           HG       SER   2 -12.360   5.984  -9.355
   15    H    LEU   3           H        LEU   3 -10.024   7.812 -11.751
   16    HA   LEU   3           HA       LEU   3  -9.584  10.381 -10.461
   17   1HB   LEU   3          2HB       LEU   3  -7.638   8.462 -11.827
   18   2HB   LEU   3          3HB       LEU   3  -7.213   9.849 -10.842
   19    HG   LEU   3           HG       LEU   3  -8.911   8.469  -9.124
   20   1HD1  LEU   3          1HD1      LEU   3  -8.951   6.500 -10.661
   21   2HD1  LEU   3          2HD1      LEU   3  -7.179   6.402 -10.548
   22   3HD1  LEU   3          3HD1      LEU   3  -8.194   6.145  -9.111
   23   1HD2  LEU   3          1HD2      LEU   3  -5.881   8.283  -9.370
   24   2HD2  LEU   3          2HD2      LEU   3  -6.810   9.500  -8.470
   25   3HD2  LEU   3          3HD2      LEU   3  -6.836   7.820  -7.936
   26    H    ARG   4           H        ARG   4  -7.869  11.824 -11.584
   27    HA   ARG   4           HA       ARG   4  -8.960  12.634 -14.251
   28   1HB   ARG   4          2HB       ARG   4  -7.508  14.266 -12.099
   29   2HB   ARG   4          3HB       ARG   4  -8.206  14.874 -13.600
   30   1HG   ARG   4          2HG       ARG   4  -9.881  15.433 -12.159
   31   2HG   ARG   4          3HG       ARG   4 -10.454  13.864 -12.715
   32   1HD   ARG   4          2HD       ARG   4  -9.357  12.895 -10.561
   33   2HD   ARG   4          3HD       ARG   4  -9.122  14.547 -10.049
   34    HE   ARG   4           HE       ARG   4 -11.632  13.009 -10.295
   35   1HH1  ARG   4          1HH2      ARG   4 -10.275  16.164  -9.627
   36   2HH1  ARG   4          2HH2      ARG   4 -11.757  16.795  -8.957
   37   1HH2  ARG   4          1HH1      ARG   4 -13.514  13.842  -9.423
   38   2HH2  ARG   4          2HH1      ARG   4 -13.566  15.483  -8.847
   39    H    LYS   5           H        LYS   5  -6.665  14.387 -14.706
   40    HA   LYS   5           HA       LYS   5  -4.800  12.634 -15.998
   41   1HB   LYS   5          2HB       LYS   5  -3.264  14.685 -15.931
   42   2HB   LYS   5          3HB       LYS   5  -4.730  14.738 -16.881
   43   1HG   LYS   5          2HG       LYS   5  -4.275  16.859 -15.815
   44   2HG   LYS   5          3HG       LYS   5  -5.829  16.211 -15.306
   45   1HD   LYS   5          2HD       LYS   5  -5.045  15.704 -13.130
   46   2HD   LYS   5          3HD       LYS   5  -3.346  15.838 -13.610
   47   1HE   LYS   5          2HE       LYS   5  -5.213  18.225 -13.704
   48   2HE   LYS   5          3HE       LYS   5  -4.437  17.718 -12.197
   49   1HZ   LYS   5          1HZ       LYS   5  -2.289  17.947 -13.247
   50   2HZ   LYS   5          2HZ       LYS   5  -2.972  18.410 -14.670
   51   3HZ   LYS   5          3HZ       LYS   5  -3.102  19.369 -13.337
   52    H    LEU   6           H        LEU   6  -3.213  11.363 -15.191
   53    HA   LEU   6           HA       LEU   6  -3.023  11.171 -12.311
   54   1HB   LEU   6          2HB       LEU   6  -1.497   9.737 -14.516
   55   2HB   LEU   6          3HB       LEU   6  -1.418   9.354 -12.802
   56    HG   LEU   6           HG       LEU   6  -3.856   9.104 -14.607
   57   1HD1  LEU   6          1HD1      LEU   6  -2.144   7.325 -14.806
   58   2HD1  LEU   6          2HD1      LEU   6  -2.257   7.026 -13.058
   59   3HD1  LEU   6          3HD1      LEU   6  -3.656   6.714 -14.105
   60   1HD2  LEU   6          1HD2      LEU   6  -3.666   8.653 -11.594
   61   2HD2  LEU   6          2HD2      LEU   6  -4.738   9.790 -12.455
   62   3HD2  LEU   6          3HD2      LEU   6  -4.988   8.057 -12.620
   63    H    THR   7           H        THR   7  -2.024  12.614 -11.158
   64    HA   THR   7           HA       THR   7   0.635  13.683 -11.927
   65    HB   THR   7           HB       THR   7  -1.323  14.986 -12.920
   66    HG1  THR   7           1HG      THR   7   0.690  15.932 -12.659
   67   1HG2  THR   7          1HG2      THR   7  -2.900  14.940 -11.015
   68   2HG2  THR   7          2HG2      THR   7  -1.772  15.905 -10.042
   69   3HG2  THR   7          3HG2      THR   7  -2.486  16.599 -11.481
   70    H    GLU   8           H        GLU   8   0.874  15.618 -10.211
   71    HA   GLU   8           HA       GLU   8   1.471  14.584  -7.603
   72   1HB   GLU   8          2HB       GLU   8   1.446  17.380  -8.799
   73   2HB   GLU   8          3HB       GLU   8   2.147  16.971  -7.227
   74   1HG   GLU   8          2HG       GLU   8   3.860  15.617  -8.208
   75   2HG   GLU   8          3HG       GLU   8   3.098  15.640  -9.797
   76    H    GLY   9           H        GLY   9  -1.147  14.065  -7.936
   77   1HA   GLY   9          2HA       GLY   9  -2.280  15.084  -5.520
   78   2HA   GLY   9          3HA       GLY   9  -3.201  15.677  -6.928
   79    H    ASP  10           H        ASP  10  -3.572  13.817  -8.662
   80    HA   ASP  10           HA       ASP  10  -5.144  11.755  -7.589
   81   1HB   ASP  10          2HB       ASP  10  -3.720  11.977 -10.273
   82   2HB   ASP  10          3HB       ASP  10  -4.977  10.797  -9.904
   83    H    LEU  11           H        LEU  11  -1.655  11.608  -8.571
   84    HA   LEU  11           HA       LEU  11  -1.469   8.755  -7.972
   85   1HB   LEU  11          2HB       LEU  11   0.681  10.869  -8.387
   86   2HB   LEU  11          3HB       LEU  11   0.960   9.143  -8.219
   87    HG   LEU  11           HG       LEU  11  -0.665  10.385 -10.469
   88   1HD1  LEU  11          1HD1      LEU  11   1.730  10.941 -10.609
   89   2HD1  LEU  11          2HD1      LEU  11   2.143   9.218 -10.483
   90   3HD1  LEU  11          3HD1      LEU  11   1.245   9.823 -11.894
   91   1HD2  LEU  11          1HD2      LEU  11   0.135   7.523  -9.824
   92   2HD2  LEU  11          2HD2      LEU  11  -1.479   8.166 -10.176
   93   3HD2  LEU  11          3HD2      LEU  11  -0.271   8.024 -11.464
   94    H    ASP  12           H        ASP  12  -0.674  11.767  -6.142
   95    HA   ASP  12           HA       ASP  12   0.330  10.522  -3.845
   96   1HB   ASP  12          2HB       ASP  12  -1.296  13.088  -4.045
   97   2HB   ASP  12          3HB       ASP  12  -0.233  12.621  -2.718
   98    H    GLU  13           H        GLU  13  -3.083  11.286  -4.692
   99    HA   GLU  13           HA       GLU  13  -4.331  10.212  -2.367
  100   1HB   GLU  13          2HB       GLU  13  -5.418  11.632  -4.086
  101   2HB   GLU  13          3HB       GLU  13  -5.355  10.289  -5.235
  102   1HG   GLU  13          2HG       GLU  13  -6.805   8.941  -3.744
  103   2HG   GLU  13          3HG       GLU  13  -6.813  10.251  -2.557
  104    H    ILE  14           H        ILE  14  -3.365   8.554  -5.449
  105    HA   ILE  14           HA       ILE  14  -4.207   5.942  -4.566
  106    HB   ILE  14           HB       ILE  14  -2.181   6.868  -6.610
  107   1HG1  ILE  14          2HG1      ILE  14  -4.866   5.438  -6.865
  108   2HG1  ILE  14          3HG1      ILE  14  -4.649   7.178  -7.012
  109   1HG2  ILE  14          1HG2      ILE  14  -1.324   4.703  -5.812
  110   2HG2  ILE  14          2HG2      ILE  14  -2.939   3.978  -5.984
  111   3HG2  ILE  14          3HG2      ILE  14  -2.006   4.503  -7.403
  112   1HD1  ILE  14          1HD1      ILE  14  -3.158   6.822  -8.982
  113   2HD1  ILE  14          2HD1      ILE  14  -3.512   5.076  -8.901
  114   3HD1  ILE  14          3HD1      ILE  14  -4.810   6.221  -9.222
  115    H    SER  15           H        SER  15  -0.988   7.598  -4.263
  116    HA   SER  15           HA       SER  15   0.301   5.532  -2.846
  117   1HB   SER  15          2HB       SER  15   1.940   7.093  -2.342
  118   2HB   SER  15          3HB       SER  15   1.200   7.785  -3.779
  119    HG   SER  15           HG       SER  15  -0.104   9.101  -2.217
  120    H    SER  16           H        SER  16  -1.897   8.019  -1.629
  121    HA   SER  16           HA       SER  16  -1.648   7.427   1.179
  122   1HB   SER  16          2HB       SER  16  -3.996   8.694  -0.300
  123   2HB   SER  16          3HB       SER  16  -3.607   8.834   1.418
  124    HG   SER  16           HG       SER  16  -2.074   9.842  -0.793
  125    H    PHE  17           H        PHE  17  -3.991   6.413  -1.365
  126    HA   PHE  17           HA       PHE  17  -5.584   4.678   0.253
  127   1HB   PHE  17          2HB       PHE  17  -6.335   5.463  -1.883
  128   2HB   PHE  17          3HB       PHE  17  -4.924   4.832  -2.702
  129    HD1  PHE  17           HD1      PHE  17  -5.043   2.787  -3.826
  130    HD2  PHE  17           HD2      PHE  17  -7.866   3.647  -0.680
  131    HE1  PHE  17           HE1      PHE  17  -6.300   0.724  -4.390
  132    HE2  PHE  17           HE2      PHE  17  -9.113   1.572  -1.239
  133    HZ   PHE  17           HZ       PHE  17  -8.347   0.125  -3.099
  134    H    LEU  18           H        LEU  18  -2.593   4.018  -1.637
  135    HA   LEU  18           HA       LEU  18  -2.432   1.232  -0.998
  136   1HB   LEU  18          2HB       LEU  18  -0.325   3.298  -1.736
  137   2HB   LEU  18          3HB       LEU  18   0.029   1.580  -1.562
  138    HG   LEU  18           HG       LEU  18  -2.014   2.677  -3.545
  139   1HD1  LEU  18          1HD1      LEU  18   0.257   3.473  -4.081
  140   2HD1  LEU  18          2HD1      LEU  18   0.874   1.811  -3.986
  141   3HD1  LEU  18          3HD1      LEU  18  -0.290   2.267  -5.251
  142   1HD2  LEU  18          1HD2      LEU  18  -0.778  -0.071  -3.236
  143   2HD2  LEU  18          2HD2      LEU  18  -2.487   0.366  -3.008
  144   3HD2  LEU  18          3HD2      LEU  18  -1.754   0.481  -4.603
  145    H    HIS  19           H        HIS  19  -0.806   4.056   0.682
  146    HA   HIS  19           HA       HIS  19   0.326   2.515   2.770
  147   1HB   HIS  19          2HB       HIS  19   0.958   4.798   2.687
  148   2HB   HIS  19          3HB       HIS  19  -0.713   5.360   2.586
  149    HD1  HIS  19           HD1      HIS  19  -1.927   5.919   4.834
  150    HD2  HIS  19           HD2      HIS  19   1.281   3.281   5.246
  151    HE1  HIS  19           HE1      HIS  19  -1.613   5.580   7.318
  152    H    ASN  20           H        ASN  20  -2.931   4.085   2.675
  153    HA   ASN  20           HA       ASN  20  -3.678   3.176   5.254
  154   1HB   ASN  20          2HB       ASN  20  -5.388   3.915   2.841
  155   2HB   ASN  20          3HB       ASN  20  -6.005   3.684   4.480
  156   1HD2  ASN  20          2HD2      ASN  20  -6.666   6.035   3.587
  157   2HD2  ASN  20          1HD2      ASN  20  -5.588   7.287   4.201
  158    H    THR  21           H        THR  21  -4.066   1.589   2.072
  159    HA   THR  21           HA       THR  21  -5.567  -0.671   2.947
  160    HB   THR  21           HB       THR  21  -3.531  -0.496   0.687
  161    HG1  THR  21           1HG      THR  21  -5.096   1.023   0.376
  162   1HG2  THR  21          1HG2      THR  21  -4.105  -2.840   1.091
  163   2HG2  THR  21          2HG2      THR  21  -5.835  -2.422   1.183
  164   3HG2  THR  21          3HG2      THR  21  -4.963  -2.262  -0.350
  165    H    ILE  22           H        ILE  22  -1.973  -0.255   2.732
  166    HA   ILE  22           HA       ILE  22  -1.395  -2.899   3.745
  167    HB   ILE  22           HB       ILE  22   0.264  -0.357   3.700
  168   1HG1  ILE  22          2HG1      ILE  22   0.210  -2.764   1.826
  169   2HG1  ILE  22          3HG1      ILE  22  -0.439  -1.171   1.471
  170   1HG2  ILE  22          1HG2      ILE  22   1.139  -2.165   5.352
  171   2HG2  ILE  22          2HG2      ILE  22   1.428  -3.166   3.913
  172   3HG2  ILE  22          3HG2      ILE  22   2.250  -1.636   4.102
  173   1HD1  ILE  22          1HD1      ILE  22   1.979  -0.307   1.970
  174   2HD1  ILE  22          2HD1      ILE  22   2.421  -2.015   1.721
  175   3HD1  ILE  22          3HD1      ILE  22   1.579  -1.109   0.420
  176    H    SER  23           H        SER  23  -1.482   0.338   5.345
  177    HA   SER  23           HA       SER  23  -0.800  -0.555   7.923
  178   1HB   SER  23          2HB       SER  23  -2.329   1.849   6.926
  179   2HB   SER  23          3HB       SER  23  -2.005   1.572   8.659
  180    HG   SER  23           HG       SER  23  -0.299   2.746   7.269
  181    H    ASP  24           H        ASP  24  -4.144  -0.158   6.484
  182    HA   ASP  24           HA       ASP  24  -5.509  -1.342   8.686
  183   1HB   ASP  24          2HB       ASP  24  -6.147  -1.096   5.737
  184   2HB   ASP  24          3HB       ASP  24  -7.157  -2.034   6.798
  185    H    PHE  25           H        PHE  25  -3.958  -3.016   5.828
  186    HA   PHE  25           HA       PHE  25  -5.005  -5.588   6.516
  187   1HB   PHE  25          2HB       PHE  25  -3.841  -4.939   4.369
  188   2HB   PHE  25          3HB       PHE  25  -2.311  -4.986   5.230
  189    HD1  PHE  25           HD1      PHE  25  -4.818  -6.903   3.476
  190    HD2  PHE  25           HD2      PHE  25  -1.566  -7.233   6.292
  191    HE1  PHE  25           HE1      PHE  25  -4.751  -9.358   3.120
  192    HE2  PHE  25           HE2      PHE  25  -1.489  -9.680   5.904
  193    HZ   PHE  25           HZ       PHE  25  -3.102 -10.749   4.357
  194    H    ILE  26           H        ILE  26  -1.948  -3.976   7.563
  195    HA   ILE  26           HA       ILE  26  -1.064  -6.077   9.263
  196    HB   ILE  26           HB       ILE  26  -0.565  -3.075   9.150
  197   1HG1  ILE  26          2HG1      ILE  26   1.197  -5.451   8.361
  198   2HG1  ILE  26          3HG1      ILE  26   0.206  -4.556   7.220
  199   1HG2  ILE  26          1HG2      ILE  26  -0.186  -3.842  11.441
  200   2HG2  ILE  26          2HG2      ILE  26   0.815  -5.191  10.846
  201   3HG2  ILE  26          3HG2      ILE  26   1.339  -3.498  10.660
  202   1HD1  ILE  26          1HD1      ILE  26   1.475  -2.464   7.808
  203   2HD1  ILE  26          2HD1      ILE  26   2.592  -3.481   8.753
  204   3HD1  ILE  26          3HD1      ILE  26   2.425  -3.736   7.012
  205    H    LEU  27           H        LEU  27  -2.958  -3.060  10.064
  206    HA   LEU  27           HA       LEU  27  -3.379  -3.829  12.785
  207   1HB   LEU  27          2HB       LEU  27  -4.506  -1.755  10.931
  208   2HB   LEU  27          3HB       LEU  27  -5.430  -2.140  12.369
  209    HG   LEU  27           HG       LEU  27  -3.574  -1.634  13.837
  210   1HD1  LEU  27          1HD1      LEU  27  -1.615  -2.182  12.462
  211   2HD1  LEU  27          2HD1      LEU  27  -1.992  -0.840  11.358
  212   3HD1  LEU  27          3HD1      LEU  27  -1.521  -0.517  13.039
  213   1HD2  LEU  27          1HD2      LEU  27  -4.072   0.576  11.804
  214   2HD2  LEU  27          2HD2      LEU  27  -5.134   0.154  13.166
  215   3HD2  LEU  27          3HD2      LEU  27  -3.512   0.797  13.476
  216    H    LYS  28           H        LYS  28  -4.974  -5.074   9.972
  217    HA   LYS  28           HA       LYS  28  -7.106  -6.293  11.654
  218   1HB   LYS  28          2HB       LYS  28  -6.714  -6.125   8.651
  219   2HB   LYS  28          3HB       LYS  28  -8.029  -7.024   9.421
  220   1HG   LYS  28          2HG       LYS  28  -8.973  -5.056  10.421
  221   2HG   LYS  28          3HG       LYS  28  -7.550  -4.089  10.063
  222   1HD   LYS  28          2HD       LYS  28  -8.068  -4.480   7.572
  223   2HD   LYS  28          3HD       LYS  28  -9.671  -5.037   8.116
  224   1HE   LYS  28          2HE       LYS  28  -9.988  -2.866   9.323
  225   2HE   LYS  28          3HE       LYS  28  -8.348  -2.392   8.869
  226   1HZ   LYS  28          1HZ       LYS  28  -9.201  -2.710   6.492
  227   2HZ   LYS  28          2HZ       LYS  28 -10.708  -2.483   7.145
  228   3HZ   LYS  28          3HZ       LYS  28  -9.496  -1.335   7.285
  229    H    ARG  29           H        ARG  29  -3.969  -7.133  10.772
  230    HA   ARG  29           HA       ARG  29  -4.603  -9.970  11.562
  231   1HB   ARG  29          2HB       ARG  29  -2.510  -8.854   9.673
  232   2HB   ARG  29          3HB       ARG  29  -2.193 -10.330  10.587
  233   1HG   ARG  29          2HG       ARG  29  -4.508 -11.158   9.676
  234   2HG   ARG  29          3HG       ARG  29  -4.317  -9.853   8.498
  235   1HD   ARG  29          2HD       ARG  29  -3.476 -11.870   7.515
  236   2HD   ARG  29          3HD       ARG  29  -2.079 -10.851   7.869
  237    HE   ARG  29           HE       ARG  29  -2.207 -12.422  10.115
  238   1HH1  ARG  29          1HH2      ARG  29  -1.955 -13.188   6.701
  239   2HH1  ARG  29          2HH2      ARG  29  -1.094 -14.553   6.943
  240   1HH2  ARG  29          1HH1      ARG  29  -1.005 -14.408  10.394
  241   2HH2  ARG  29          2HH1      ARG  29  -0.949 -15.455   8.997
  242    H    VAL  30           H        VAL  30  -2.968  -7.112  12.610
  243    HA   VAL  30           HA       VAL  30  -1.818  -8.560  14.958
  244    HB   VAL  30           HB       VAL  30  -0.416  -6.413  13.316
  245   1HG1  VAL  30          1HG1      VAL  30   0.298  -6.524  15.681
  246   2HG1  VAL  30          2HG1      VAL  30   0.595  -8.269  15.520
  247   3HG1  VAL  30          3HG1      VAL  30   1.577  -7.094  14.614
  248   1HG2  VAL  30          1HG2      VAL  30   0.073  -9.409  13.243
  249   2HG2  VAL  30          2HG2      VAL  30  -0.417  -8.349  11.895
  250   3HG2  VAL  30          3HG2      VAL  30   1.191  -8.184  12.593
  251    H    SER  31           H        SER  31  -1.854  -7.278  16.905
  252    HA   SER  31           HA       SER  31  -3.983  -5.300  16.831
  253   1HB   SER  31          2HB       SER  31  -3.765  -6.892  18.654
  254   2HB   SER  31          3HB       SER  31  -2.180  -6.233  19.097
  255    HG   SER  31           HG       SER  31  -4.103  -5.444  20.268
  256    H    ALA  32           H        ALA  32  -3.879  -3.105  16.741
  257    HA   ALA  32           HA       ALA  32  -1.679  -1.453  16.637
  258   1HB   ALA  32          1HB       ALA  32  -3.998  -0.755  16.198
  259   2HB   ALA  32          2HB       ALA  32  -4.374  -0.870  17.935
  260   3HB   ALA  32          3HB       ALA  32  -3.208   0.337  17.350
  261    H    LYS  33           H        LYS  33  -2.810  -3.102  19.546
  262    HA   LYS  33           HA       LYS  33  -1.266  -1.420  21.397
  263   1HB   LYS  33          2HB       LYS  33  -3.383  -2.597  22.024
  264   2HB   LYS  33          3HB       LYS  33  -2.552  -4.151  21.832
  265   1HG   LYS  33          2HG       LYS  33  -1.007  -3.600  23.646
  266   2HG   LYS  33          3HG       LYS  33  -1.662  -1.954  23.755
  267   1HD   LYS  33          2HD       LYS  33  -3.829  -2.871  24.505
  268   2HD   LYS  33          3HD       LYS  33  -3.194  -4.529  24.329
  269   1HE   LYS  33          2HE       LYS  33  -1.386  -3.995  25.957
  270   2HE   LYS  33          3HE       LYS  33  -2.039  -2.363  26.149
  271   1HZ   LYS  33          1HZ       LYS  33  -4.079  -3.351  27.004
  272   2HZ   LYS  33          2HZ       LYS  33  -3.468  -4.868  26.822
  273   3HZ   LYS  33          3HZ       LYS  33  -2.792  -3.834  27.908
  274    H    GLU  34           H        GLU  34  -0.452  -4.128  19.332
  275    HA   GLU  34           HA       GLU  34   2.107  -4.512  20.857
  276   1HB   GLU  34          2HB       GLU  34   2.246  -6.731  20.087
  277   2HB   GLU  34          3HB       GLU  34   0.603  -6.517  20.705
  278   1HG   GLU  34          2HG       GLU  34  -0.096  -6.064  18.300
  279   2HG   GLU  34          3HG       GLU  34   1.499  -6.579  17.789
  280    H    ILE  35           H        ILE  35   0.736  -3.418  17.877
  281    HA   ILE  35           HA       ILE  35   3.204  -3.313  16.327
  282    HB   ILE  35           HB       ILE  35   0.592  -1.736  16.244
  283   1HG1  ILE  35          2HG1      ILE  35   0.398  -4.174  15.638
  284   2HG1  ILE  35          3HG1      ILE  35  -0.099  -3.046  14.390
  285   1HG2  ILE  35          1HG2      ILE  35   2.249  -0.316  15.226
  286   2HG2  ILE  35          2HG2      ILE  35   2.911  -1.664  14.264
  287   3HG2  ILE  35          3HG2      ILE  35   1.271  -1.035  13.948
  288   1HD1  ILE  35          1HD1      ILE  35   2.009  -3.430  13.187
  289   2HD1  ILE  35          2HD1      ILE  35   2.567  -4.513  14.494
  290   3HD1  ILE  35          3HD1      ILE  35   1.171  -4.939  13.491
  291    H    VAL  36           H        VAL  36   4.920  -2.171  17.026
  292    HA   VAL  36           HA       VAL  36   4.699   0.168  18.825
  293    HB   VAL  36           HB       VAL  36   6.988  -1.252  17.411
  294   1HG1  VAL  36          1HG1      VAL  36   7.592   1.081  17.207
  295   2HG1  VAL  36          2HG1      VAL  36   7.154   1.392  18.906
  296   3HG1  VAL  36          3HG1      VAL  36   8.544   0.354  18.504
  297   1HG2  VAL  36          1HG2      VAL  36   6.471  -0.610  20.348
  298   2HG2  VAL  36          2HG2      VAL  36   6.058  -2.143  19.563
  299   3HG2  VAL  36          3HG2      VAL  36   7.756  -1.646  19.683
  300    H    ASP  37           H        ASP  37   5.552  -0.506  15.388
  301    HA   ASP  37           HA       ASP  37   3.958   1.687  14.516
  302   1HB   ASP  37          2HB       ASP  37   6.394   2.656  15.327
  303   2HB   ASP  37          3HB       ASP  37   6.789   2.235  13.671
  304    H    ILE  38           H        ILE  38   4.466   2.163  12.086
  305    HA   ILE  38           HA       ILE  38   5.610  -0.135  10.633
  306    HB   ILE  38           HB       ILE  38   3.911  -0.233   8.961
  307   1HG1  ILE  38          2HG1      ILE  38   2.850   1.943   8.994
  308   2HG1  ILE  38          3HG1      ILE  38   1.699   0.632   9.069
  309   1HG2  ILE  38          1HG2      ILE  38   3.828  -1.844  10.735
  310   2HG2  ILE  38          2HG2      ILE  38   2.774  -0.805  11.711
  311   3HG2  ILE  38          3HG2      ILE  38   2.188  -1.462  10.169
  312   1HD1  ILE  38          1HD1      ILE  38   1.391   1.058  11.526
  313   2HD1  ILE  38          2HD1      ILE  38   2.469   2.470  11.366
  314   3HD1  ILE  38          3HD1      ILE  38   0.940   2.414  10.482
  315    H    ASP  39           H        ASP  39   6.676   0.415   8.819
  316    HA   ASP  39           HA       ASP  39   6.855   3.345   8.172
  317   1HB   ASP  39          2HB       ASP  39   9.019   1.285   8.584
  318   2HB   ASP  39          3HB       ASP  39   9.271   2.690   7.544
  319    H    ILE  40           H        ILE  40   5.910   3.643   6.256
  320    HA   ILE  40           HA       ILE  40   6.195   1.557   4.131
  321    HB   ILE  40           HB       ILE  40   3.701   2.959   5.121
  322   1HG1  ILE  40          2HG1      ILE  40   4.044   0.040   4.393
  323   2HG1  ILE  40          3HG1      ILE  40   4.641   0.601   5.957
  324   1HG2  ILE  40          1HG2      ILE  40   3.628   3.181   2.671
  325   2HG2  ILE  40          2HG2      ILE  40   4.102   1.473   2.473
  326   3HG2  ILE  40          3HG2      ILE  40   2.523   1.900   3.156
  327   1HD1  ILE  40          1HD1      ILE  40   2.368   1.385   6.536
  328   2HD1  ILE  40          2HD1      ILE  40   1.781   0.720   4.985
  329   3HD1  ILE  40          3HD1      ILE  40   2.484  -0.360   6.212
  330    H    THR  41           H        THR  41   7.082   2.237   2.430
  331    HA   THR  41           HA       THR  41   7.039   5.131   1.674
  332    HB   THR  41           HB       THR  41   9.155   2.986   1.237
  333    HG1  THR  41           1HG      THR  41  10.339   4.289   2.563
  334   1HG2  THR  41          1HG2      THR  41   9.095   4.425  -0.749
  335   2HG2  THR  41          2HG2      THR  41   9.051   5.883   0.274
  336   3HG2  THR  41          3HG2      THR  41  10.497   4.849   0.239
  337    H    VAL  42           H        VAL  42   5.729   5.451   0.041
  338    HA   VAL  42           HA       VAL  42   5.341   3.392  -2.069
  339    HB   VAL  42           HB       VAL  42   3.191   4.807  -2.414
  340   1HG1  VAL  42          1HG1      VAL  42   3.204   2.456  -1.731
  341   2HG1  VAL  42          2HG1      VAL  42   3.488   2.920  -0.041
  342   3HG1  VAL  42          3HG1      VAL  42   1.958   3.344  -0.836
  343   1HG2  VAL  42          1HG2      VAL  42   3.577   5.381   0.562
  344   2HG2  VAL  42          2HG2      VAL  42   3.686   6.602  -0.730
  345   3HG2  VAL  42          3HG2      VAL  42   2.168   5.755  -0.422
  346    H    LEU  43           H        LEU  43   6.278   3.895  -3.895
  347    HA   LEU  43           HA       LEU  43   6.885   6.760  -4.525
  348   1HB   LEU  43          2HB       LEU  43   8.713   4.534  -4.149
  349   2HB   LEU  43          3HB       LEU  43   8.724   4.993  -5.846
  350    HG   LEU  43           HG       LEU  43   9.145   7.377  -5.166
  351   1HD1  LEU  43          1HD1      LEU  43   8.265   7.311  -2.839
  352   2HD1  LEU  43          2HD1      LEU  43   9.543   6.165  -2.394
  353   3HD1  LEU  43          3HD1      LEU  43   9.955   7.826  -2.869
  354   1HD2  LEU  43          1HD2      LEU  43  11.154   5.323  -4.144
  355   2HD2  LEU  43          2HD2      LEU  43  10.991   5.880  -5.824
  356   3HD2  LEU  43          3HD2      LEU  43  11.512   7.013  -4.566
  357    H    VAL  44           H        VAL  44   6.459   7.467  -6.616
  358    HA   VAL  44           HA       VAL  44   5.441   5.479  -8.552
  359    HB   VAL  44           HB       VAL  44   3.526   6.207  -7.168
  360   1HG1  VAL  44          1HG1      VAL  44   4.357   8.569  -6.731
  361   2HG1  VAL  44          2HG1      VAL  44   3.814   8.980  -8.369
  362   3HG1  VAL  44          3HG1      VAL  44   2.661   8.394  -7.141
  363   1HG2  VAL  44          1HG2      VAL  44   3.348   7.171 -10.046
  364   2HG2  VAL  44          2HG2      VAL  44   3.239   5.482  -9.511
  365   3HG2  VAL  44          3HG2      VAL  44   2.019   6.650  -8.985
  366    H    GLU  45           H        GLU  45   5.796   5.965 -10.672
  367    HA   GLU  45           HA       GLU  45   6.623   8.680 -11.437
  368   1HB   GLU  45          2HB       GLU  45   8.729   8.031 -12.390
  369   2HB   GLU  45          3HB       GLU  45   8.740   7.648 -10.672
  370   1HG   GLU  45          2HG       GLU  45   8.405   5.270 -11.143
  371   2HG   GLU  45          3HG       GLU  45   8.176   5.606 -12.865
  372    H    TYR  46           H        TYR  46   6.853   8.959 -13.746
  373    HA   TYR  46           HA       TYR  46   5.810   6.768 -15.429
  374   1HB   TYR  46          2HB       TYR  46   3.994   8.500 -14.874
  375   2HB   TYR  46          3HB       TYR  46   4.893   9.618 -15.888
  376    HD1  TYR  46           HD1      TYR  46   2.459   7.015 -15.788
  377    HD2  TYR  46           HD2      TYR  46   5.468   8.751 -18.342
  378    HE1  TYR  46           HE1      TYR  46   1.390   5.954 -17.758
  379    HE2  TYR  46           HE2      TYR  46   4.425   7.637 -20.318
  380    HH   TYR  46           HH       TYR  46   1.530   5.579 -20.032
  381    H    THR  47           H        THR  47   7.586   6.254 -16.488
  382    HA   THR  47           HA       THR  47   9.297   8.369 -17.743
  383    HB   THR  47           HB       THR  47  11.227   6.754 -17.161
  384    HG1  THR  47           1HG      THR  47  10.350   5.954 -14.763
  385   1HG2  THR  47          1HG2      THR  47  10.924   9.014 -16.184
  386   2HG2  THR  47          2HG2      THR  47   9.900   8.313 -14.908
  387   3HG2  THR  47          3HG2      THR  47  11.615   7.863 -15.028
  388    H    ASP  48           H        ASP  48   8.053   8.002 -19.544
  389    HA   ASP  48           HA       ASP  48   7.331   7.174 -21.478
  390   1HB   ASP  48          2HB       ASP  48   9.841   6.626 -21.718
  391   2HB   ASP  48          3HB       ASP  48   9.368   4.948 -21.439
  392    H    GLU  49           H        GLU  49   7.664   4.845 -18.904
  393    HA   GLU  49           HA       GLU  49   4.946   3.790 -19.458
  394   1HB   GLU  49          2HB       GLU  49   6.707   2.162 -20.129
  395   2HB   GLU  49          3HB       GLU  49   7.370   2.205 -18.491
  396   1HG   GLU  49          2HG       GLU  49   5.348   1.190 -17.590
  397   2HG   GLU  49          3HG       GLU  49   4.506   1.381 -19.130
  398    H    LEU  50           H        LEU  50   3.921   2.959 -17.415
  399    HA   LEU  50           HA       LEU  50   4.349   4.856 -15.186
  400   1HB   LEU  50          2HB       LEU  50   2.060   4.501 -15.948
  401   2HB   LEU  50          3HB       LEU  50   2.259   2.755 -15.902
  402    HG   LEU  50           HG       LEU  50   2.369   2.797 -13.429
  403   1HD1  LEU  50          1HD1      LEU  50   3.225   5.085 -13.033
  404   2HD1  LEU  50          2HD1      LEU  50   1.714   5.766 -13.673
  405   3HD1  LEU  50          3HD1      LEU  50   1.715   4.800 -12.177
  406   1HD2  LEU  50          1HD2      LEU  50  -0.072   4.206 -14.570
  407   2HD2  LEU  50          2HD2      LEU  50   0.231   2.452 -14.589
  408   3HD2  LEU  50          3HD2      LEU  50   0.015   3.289 -13.047
  409    H    LYS  51           H        LYS  51   5.448   4.315 -13.372
  410    HA   LYS  51           HA       LYS  51   5.545   1.447 -12.561
  411   1HB   LYS  51          2HB       LYS  51   7.695   2.001 -13.637
  412   2HB   LYS  51          3HB       LYS  51   7.884   3.381 -12.574
  413   1HG   LYS  51          2HG       LYS  51   9.317   1.682 -11.783
  414   2HG   LYS  51          3HG       LYS  51   8.028   1.826 -10.600
  415   1HD   LYS  51          2HD       LYS  51   6.952  -0.243 -11.548
  416   2HD   LYS  51          3HD       LYS  51   8.211  -0.291 -12.789
  417   1HE   LYS  51          2HE       LYS  51   9.237  -1.714 -11.349
  418   2HE   LYS  51          3HE       LYS  51   9.834  -0.203 -10.660
  419   1HZ   LYS  51          1HZ       LYS  51   7.783  -0.380  -9.132
  420   2HZ   LYS  51          2HZ       LYS  51   7.631  -1.900  -9.662
  421   3HZ   LYS  51          3HZ       LYS  51   8.998  -1.458  -8.859
  422    H    VAL  52           H        VAL  52   5.475   1.068 -10.442
  423    HA   VAL  52           HA       VAL  52   5.373   3.263  -8.483
  424    HB   VAL  52           HB       VAL  52   3.056   2.856  -9.027
  425   1HG1  VAL  52          1HG1      VAL  52   3.130   0.605  -9.975
  426   2HG1  VAL  52          2HG1      VAL  52   3.504  -0.085  -8.371
  427   3HG1  VAL  52          3HG1      VAL  52   1.942   0.691  -8.680
  428   1HG2  VAL  52          1HG2      VAL  52   3.608   1.514  -6.349
  429   2HG2  VAL  52          2HG2      VAL  52   3.559   3.271  -6.639
  430   3HG2  VAL  52          3HG2      VAL  52   2.108   2.290  -6.872
  431    H    ASP  53           H        ASP  53   6.129   2.648  -6.459
  432    HA   ASP  53           HA       ASP  53   7.057  -0.155  -6.091
  433   1HB   ASP  53          2HB       ASP  53   9.040   1.374  -6.440
  434   2HB   ASP  53          3HB       ASP  53   8.529   2.282  -5.005
  435    H    ILE  54           H        ILE  54   6.703  -0.966  -4.115
  436    HA   ILE  54           HA       ILE  54   5.355   0.681  -2.054
  437    HB   ILE  54           HB       ILE  54   4.432  -2.075  -3.000
  438   1HG1  ILE  54          2HG1      ILE  54   3.114   0.662  -3.283
  439   2HG1  ILE  54          3HG1      ILE  54   3.675  -0.384  -4.588
  440   1HG2  ILE  54          1HG2      ILE  54   4.329  -1.614  -0.507
  441   2HG2  ILE  54          2HG2      ILE  54   3.267  -0.241  -0.867
  442   3HG2  ILE  54          3HG2      ILE  54   2.777  -1.918  -1.261
  443   1HD1  ILE  54          1HD1      ILE  54   1.981  -2.098  -3.911
  444   2HD1  ILE  54          2HD1      ILE  54   1.342  -0.931  -2.721
  445   3HD1  ILE  54          3HD1      ILE  54   1.301  -0.555  -4.468
  446    H    SER  55           H        SER  55   6.951   0.687  -0.604
  447    HA   SER  55           HA       SER  55   8.299  -1.921   0.074
  448   1HB   SER  55          2HB       SER  55   9.340   0.939  -0.118
  449   2HB   SER  55          3HB       SER  55  10.196  -0.362   0.727
  450    HG   SER  55           HG       SER  55   9.666  -0.130  -2.121
  451    H    ALA  56           H        ALA  56   7.786  -2.578   2.103
  452    HA   ALA  56           HA       ALA  56   6.878  -0.568   4.099
  453   1HB   ALA  56          1HB       ALA  56   4.916  -1.551   2.990
  454   2HB   ALA  56          2HB       ALA  56   5.481  -3.181   3.418
  455   3HB   ALA  56          3HB       ALA  56   5.003  -2.032   4.694
  456    H    GLU  57           H        GLU  57   7.228  -0.973   6.199
  457    HA   GLU  57           HA       GLU  57   8.741  -3.384   7.071
  458   1HB   GLU  57          2HB       GLU  57  10.378  -1.698   6.608
  459   2HB   GLU  57          3HB       GLU  57   9.376  -0.434   7.302
  460   1HG   GLU  57          2HG       GLU  57  11.167  -0.799   8.742
  461   2HG   GLU  57          3HG       GLU  57   9.715  -1.351   9.561
  462    H    LEU  58           H        LEU  58   8.491  -3.889   9.240
  463    HA   LEU  58           HA       LEU  58   6.010  -2.818  10.544
  464   1HB   LEU  58          2HB       LEU  58   5.338  -4.667   9.204
  465   2HB   LEU  58          3HB       LEU  58   6.722  -5.642   9.709
  466    HG   LEU  58           HG       LEU  58   5.791  -5.884  11.956
  467   1HD1  LEU  58          1HD1      LEU  58   4.487  -3.825  12.266
  468   2HD1  LEU  58          2HD1      LEU  58   3.471  -4.247  10.869
  469   3HD1  LEU  58          3HD1      LEU  58   3.415  -5.226  12.344
  470   1HD2  LEU  58          1HD2      LEU  58   3.802  -6.549   9.744
  471   2HD2  LEU  58          2HD2      LEU  58   5.218  -7.521  10.211
  472   3HD2  LEU  58          3HD2      LEU  58   3.877  -7.317  11.345
  473    H    TYR  59           H        TYR  59   6.437  -2.215  12.624
  474    HA   TYR  59           HA       TYR  59   8.532  -3.759  14.082
  475   1HB   TYR  59          2HB       TYR  59   7.735  -0.851  14.327
  476   2HB   TYR  59          3HB       TYR  59   8.812  -1.694  15.436
  477    HD1  TYR  59           HD1      TYR  59  10.643  -3.253  14.019
  478    HD2  TYR  59           HD2      TYR  59   8.903   0.484  12.693
  479    HE1  TYR  59           HE1      TYR  59  12.488  -2.953  12.395
  480    HE2  TYR  59           HE2      TYR  59  10.817   0.827  11.177
  481    HH   TYR  59           HH       TYR  59  12.717  -1.780  10.209
  482    H    LEU  60           H        LEU  60   7.697  -5.233  15.228
  483    HA   LEU  60           HA       LEU  60   5.288  -4.917  16.894
  484   1HB   LEU  60          2HB       LEU  60   7.275  -7.159  16.374
  485   2HB   LEU  60          3HB       LEU  60   6.205  -7.233  17.747
  486    HG   LEU  60           HG       LEU  60   5.406  -8.568  15.887
  487   1HD1  LEU  60          1HD1      LEU  60   3.885  -7.487  17.587
  488   2HD1  LEU  60          2HD1      LEU  60   3.518  -6.237  16.385
  489   3HD1  LEU  60          3HD1      LEU  60   3.117  -7.941  16.070
  490   1HD2  LEU  60          1HD2      LEU  60   4.903  -5.981  14.369
  491   2HD2  LEU  60          2HD2      LEU  60   6.148  -7.190  13.967
  492   3HD2  LEU  60          3HD2      LEU  60   4.427  -7.618  13.881
  493    H    ASP  61           H        ASP  61   5.291  -5.007  19.127
  494    HA   ASP  61           HA       ASP  61   7.479  -3.850  20.609
  495   1HB   ASP  61          2HB       ASP  61   5.115  -3.732  21.329
  496   2HB   ASP  61          3HB       ASP  61   5.076  -5.491  21.515
  497    H    GLU  62           H        GLU  62   8.850  -4.847  22.120
  498    HA   GLU  62           HA       GLU  62  10.135  -7.288  21.184
  499   1HB   GLU  62          2HB       GLU  62  10.685  -5.521  23.606
  500   2HB   GLU  62          3HB       GLU  62  11.718  -6.845  23.047
  501   1HG   GLU  62          2HG       GLU  62  11.955  -5.675  20.833
  502   2HG   GLU  62          3HG       GLU  62  11.099  -4.289  21.518
  503    H    LEU  63           H        LEU  63   7.379  -7.362  22.420
  504    HA   LEU  63           HA       LEU  63   7.714  -9.668  24.250
  505   1HB   LEU  63          2HB       LEU  63   6.842  -7.057  24.980
  506   2HB   LEU  63          3HB       LEU  63   5.399  -8.033  24.916
  507    HG   LEU  63           HG       LEU  63   6.323  -7.997  27.135
  508   1HD1  LEU  63          1HD1      LEU  63   5.244 -10.107  26.428
  509   2HD1  LEU  63          2HD1      LEU  63   6.832 -10.770  26.004
  510   3HD1  LEU  63          3HD1      LEU  63   6.470 -10.348  27.689
  511   1HD2  LEU  63          1HD2      LEU  63   8.877  -9.271  26.093
  512   2HD2  LEU  63          2HD2      LEU  63   8.693  -7.571  26.554
  513   3HD2  LEU  63          3HD2      LEU  63   8.494  -8.845  27.772
  514    H    SER  64           H        SER  64   6.633  -8.797  21.278
  515    HA   SER  64           HA       SER  64   4.657 -11.016  21.295
  516   1HB   SER  64          2HB       SER  64   3.408  -8.839  21.230
  517   2HB   SER  64          3HB       SER  64   4.191  -8.490  19.673
  518    HG   SER  64           HG       SER  64   2.045  -9.613  19.455
  519    H    ASP  65           H        ASP  65   4.169 -11.658  18.963
  520    HA   ASP  65           HA       ASP  65   6.468 -11.727  17.156
  521   1HB   ASP  65          2HB       ASP  65   7.128 -13.298  18.986
  522   2HB   ASP  65          3HB       ASP  65   5.675 -14.247  18.684
  523    H    ALA  66           H        ALA  66   5.088 -11.059  15.582
  524    HA   ALA  66           HA       ALA  66   2.518 -12.327  15.020
  525   1HB   ALA  66          1HB       ALA  66   2.926  -9.887  14.780
  526   2HB   ALA  66          2HB       ALA  66   4.099 -10.220  13.481
  527   3HB   ALA  66          3HB       ALA  66   2.378 -10.620  13.274
  528    H    ASP  67           H        ASP  67   2.217 -12.669  12.371
  529    HA   ASP  67           HA       ASP  67   3.746 -15.100  12.006
  530   1HB   ASP  67          2HB       ASP  67   1.692 -13.867  10.145
  531   2HB   ASP  67          3HB       ASP  67   2.305 -15.508  10.090
  532    HA   PRO  68           HA       PRO  68   6.912 -13.212   9.569
  533   1HB   PRO  68          2HB       PRO  68   8.332 -15.381   8.730
  534   2HB   PRO  68          3HB       PRO  68   8.156 -14.946  10.452
  535   1HG   PRO  68          2HG       PRO  68   6.477 -16.938   8.885
  536   2HG   PRO  68          3HG       PRO  68   7.347 -17.207  10.433
  537   1HD   PRO  68          2HD       PRO  68   4.716 -16.543  10.395
  538   2HD   PRO  68          3HD       PRO  68   5.818 -15.871  11.635
  539    H    GLY  69           H        GLY  69   4.920 -12.607   8.199
  540   1HA   GLY  69          2HA       GLY  69   5.714 -12.555   5.439
  541   2HA   GLY  69          3HA       GLY  69   4.423 -13.740   5.646
  542    H    ILE  70           H        ILE  70   3.490 -11.548   7.953
  543    HA   ILE  70           HA       ILE  70   1.312 -10.632   6.544
  544    HB   ILE  70           HB       ILE  70   2.719  -9.755   9.080
  545   1HG1  ILE  70          2HG1      ILE  70   0.116 -11.263   8.544
  546   2HG1  ILE  70          3HG1      ILE  70   1.657 -12.039   8.868
  547   1HG2  ILE  70          1HG2      ILE  70   1.509  -7.787   8.323
  548   2HG2  ILE  70          2HG2      ILE  70   0.034  -8.754   8.069
  549   3HG2  ILE  70          3HG2      ILE  70   0.696  -8.488   9.704
  550   1HD1  ILE  70          1HD1      ILE  70   1.746 -10.905  11.094
  551   2HD1  ILE  70          2HD1      ILE  70   0.092 -10.314  10.803
  552   3HD1  ILE  70          3HD1      ILE  70   0.392 -12.040  10.905
  553    H    VAL  71           H        VAL  71   4.483  -9.048   6.680
  554    HA   VAL  71           HA       VAL  71   3.684  -6.508   5.535
  555    HB   VAL  71           HB       VAL  71   6.255  -8.085   5.438
  556   1HG1  VAL  71          1HG1      VAL  71   6.348  -6.489   3.603
  557   2HG1  VAL  71          2HG1      VAL  71   5.794  -5.174   4.671
  558   3HG1  VAL  71          3HG1      VAL  71   7.394  -5.910   4.898
  559   1HG2  VAL  71          1HG2      VAL  71   5.443  -5.716   7.171
  560   2HG2  VAL  71          2HG2      VAL  71   5.633  -7.393   7.733
  561   3HG2  VAL  71          3HG2      VAL  71   7.045  -6.483   7.183
  562    H    ASP  72           H        ASP  72   5.124  -9.452   4.063
  563    HA   ASP  72           HA       ASP  72   4.962  -8.639   1.346
  564   1HB   ASP  72          2HB       ASP  72   6.350 -10.503   2.274
  565   2HB   ASP  72          3HB       ASP  72   4.883 -11.450   2.525
  566    H    GLU  73           H        GLU  73   2.656 -10.486   3.406
  567    HA   GLU  73           HA       GLU  73   0.579 -10.739   1.444
  568   1HB   GLU  73          2HB       GLU  73   0.400 -10.417   4.464
  569   2HB   GLU  73          3HB       GLU  73  -0.943 -10.821   3.392
  570   1HG   GLU  73          2HG       GLU  73   0.072 -12.949   2.806
  571   2HG   GLU  73          3HG       GLU  73   1.483 -12.587   3.811
  572    H    ALA  74           H        ALA  74   1.313  -8.006   3.765
  573    HA   ALA  74           HA       ALA  74  -1.128  -6.602   3.108
  574   1HB   ALA  74          1HB       ALA  74   0.251  -6.179   5.163
  575   2HB   ALA  74          2HB       ALA  74   1.512  -5.459   4.133
  576   3HB   ALA  74          3HB       ALA  74  -0.094  -4.715   4.233
  577    H    VAL  75           H        VAL  75   2.185  -6.457   1.856
  578    HA   VAL  75           HA       VAL  75   1.774  -4.346  -0.057
  579    HB   VAL  75           HB       VAL  75   3.864  -6.521   0.305
  580   1HG1  VAL  75          1HG1      VAL  75   3.940  -6.062  -2.016
  581   2HG1  VAL  75          2HG1      VAL  75   3.793  -4.299  -1.770
  582   3HG1  VAL  75          3HG1      VAL  75   5.271  -5.163  -1.284
  583   1HG2  VAL  75          1HG2      VAL  75   3.962  -3.496   0.702
  584   2HG2  VAL  75          2HG2      VAL  75   3.759  -4.666   2.009
  585   3HG2  VAL  75          3HG2      VAL  75   5.257  -4.653   1.068
  586    H    ASP  76           H        ASP  76   1.798  -7.957  -0.527
  587    HA   ASP  76           HA       ASP  76   0.863  -8.058  -3.171
  588   1HB   ASP  76          2HB       ASP  76   1.715  -9.974  -1.961
  589   2HB   ASP  76          3HB       ASP  76   0.417  -9.864  -0.770
  590    H    ALA  77           H        ALA  77  -1.108  -7.821  -0.145
  591    HA   ALA  77           HA       ALA  77  -3.642  -7.848  -1.473
  592   1HB   ALA  77          1HB       ALA  77  -3.382  -8.251   0.936
  593   2HB   ALA  77          2HB       ALA  77  -2.842  -6.578   1.183
  594   3HB   ALA  77          3HB       ALA  77  -4.502  -6.905   0.643
  595    H    ALA  78           H        ALA  78  -1.494  -5.094  -0.547
  596    HA   ALA  78           HA       ALA  78  -3.143  -3.055  -1.680
  597   1HB   ALA  78          1HB       ALA  78  -1.332  -2.652  -0.081
  598   2HB   ALA  78          2HB       ALA  78  -0.123  -3.116  -1.299
  599   3HB   ALA  78          3HB       ALA  78  -1.133  -1.676  -1.546
  600    H    TYR  79           H        TYR  79  -0.522  -5.058  -3.223
  601    HA   TYR  79           HA       TYR  79  -0.728  -3.823  -5.804
  602   1HB   TYR  79          2HB       TYR  79   0.058  -6.615  -4.872
  603   2HB   TYR  79          3HB       TYR  79   0.004  -6.198  -6.568
  604    HD1  TYR  79           HD1      TYR  79   1.206  -3.940  -7.223
  605    HD2  TYR  79           HD2      TYR  79   2.218  -6.466  -3.849
  606    HE1  TYR  79           HE1      TYR  79   3.531  -3.071  -7.288
  607    HE2  TYR  79           HE2      TYR  79   4.605  -5.687  -4.046
  608    HH   TYR  79           HH       TYR  79   5.629  -3.213  -6.376
  609    H    ARG  80           H        ARG  80  -2.536  -6.689  -4.478
  610    HA   ARG  80           HA       ARG  80  -4.134  -7.034  -6.850
  611   1HB   ARG  80          2HB       ARG  80  -4.678  -7.740  -3.932
  612   2HB   ARG  80          3HB       ARG  80  -5.732  -8.226  -5.275
  613   1HG   ARG  80          2HG       ARG  80  -3.910  -9.471  -6.338
  614   2HG   ARG  80          3HG       ARG  80  -2.766  -8.904  -5.123
  615   1HD   ARG  80          2HD       ARG  80  -4.328 -10.021  -3.384
  616   2HD   ARG  80          3HD       ARG  80  -5.040 -10.882  -4.759
  617    HE   ARG  80           HE       ARG  80  -2.357 -11.154  -3.550
  618   1HH1  ARG  80          1HH2      ARG  80  -4.274 -12.170  -6.308
  619   2HH1  ARG  80          2HH2      ARG  80  -3.001 -13.199  -6.927
  620   1HH2  ARG  80          1HH1      ARG  80  -0.719 -12.168  -4.521
  621   2HH2  ARG  80          2HH1      ARG  80  -1.008 -13.292  -5.841
  622    H    SER  81           H        SER  81  -4.745  -5.116  -3.903
  623    HA   SER  81           HA       SER  81  -7.230  -4.033  -4.824
  624   1HB   SER  81          2HB       SER  81  -6.480  -4.074  -2.437
  625   2HB   SER  81          3HB       SER  81  -5.295  -2.803  -2.830
  626    HG   SER  81           HG       SER  81  -7.253  -1.748  -3.815
  627    H    LEU  82           H        LEU  82  -3.944  -3.133  -5.751
  628    HA   LEU  82           HA       LEU  82  -4.830  -0.596  -6.921
  629   1HB   LEU  82          2HB       LEU  82  -2.549  -0.955  -5.955
  630   2HB   LEU  82          3HB       LEU  82  -2.217  -2.140  -7.202
  631    HG   LEU  82           HG       LEU  82  -2.484  -0.382  -8.956
  632   1HD1  LEU  82          1HD1      LEU  82  -3.992   1.204  -7.860
  633   2HD1  LEU  82          2HD1      LEU  82  -2.789   1.512  -6.585
  634   3HD1  LEU  82          3HD1      LEU  82  -2.478   2.010  -8.263
  635   1HD2  LEU  82          1HD2      LEU  82  -0.498   0.284  -6.741
  636   2HD2  LEU  82          2HD2      LEU  82  -0.276  -0.898  -8.051
  637   3HD2  LEU  82          3HD2      LEU  82  -0.403   0.827  -8.435
  638    H    GLU  83           H        GLU  83  -3.702  -3.819  -8.100
  639    HA   GLU  83           HA       GLU  83  -4.058  -3.152 -10.847
  640   1HB   GLU  83          2HB       GLU  83  -3.684  -5.730  -9.300
  641   2HB   GLU  83          3HB       GLU  83  -4.127  -5.786 -11.000
  642   1HG   GLU  83          2HG       GLU  83  -1.746  -5.959 -10.839
  643   2HG   GLU  83          3HG       GLU  83  -2.181  -4.464 -11.644
  644    H    SER  84           H        SER  84  -6.334  -4.852  -8.573
  645    HA   SER  84           HA       SER  84  -8.427  -5.081 -10.538
  646   1HB   SER  84          2HB       SER  84  -8.519  -5.084  -7.509
  647   2HB   SER  84          3HB       SER  84  -9.909  -5.420  -8.561
  648    HG   SER  84           HG       SER  84  -8.620  -7.097  -9.520
  649    H    PHE  85           H        PHE  85  -7.261  -2.343  -8.799
  650    HA   PHE  85           HA       PHE  85  -9.731  -0.749  -9.016
  651   1HB   PHE  85          2HB       PHE  85  -8.468  -0.544  -7.064
  652   2HB   PHE  85          3HB       PHE  85  -6.951  -0.399  -7.893
  653    HD1  PHE  85           HD1      PHE  85  -8.922   1.310  -5.794
  654    HD2  PHE  85           HD2      PHE  85  -6.883   1.809  -9.543
  655    HE1  PHE  85           HE1      PHE  85  -8.556   3.705  -5.272
  656    HE2  PHE  85           HE2      PHE  85  -6.516   4.210  -9.033
  657    HZ   PHE  85           HZ       PHE  85  -7.358   5.164  -6.891
  658    H    LEU  86           H        LEU  86  -6.478  -0.914 -10.633
  659    HA   LEU  86           HA       LEU  86  -7.139   1.047 -12.667
  660   1HB   LEU  86          2HB       LEU  86  -5.087  -1.135 -12.252
  661   2HB   LEU  86          3HB       LEU  86  -5.299  -0.543 -13.877
  662    HG   LEU  86           HG       LEU  86  -3.428   0.497 -12.567
  663   1HD1  LEU  86          1HD1      LEU  86  -4.317   1.506 -14.605
  664   2HD1  LEU  86          2HD1      LEU  86  -5.560   2.360 -13.666
  665   3HD1  LEU  86          3HD1      LEU  86  -3.835   2.759 -13.450
  666   1HD2  LEU  86          1HD2      LEU  86  -5.583   2.167 -11.223
  667   2HD2  LEU  86          2HD2      LEU  86  -4.660   0.876 -10.402
  668   3HD2  LEU  86          3HD2      LEU  86  -3.825   2.301 -11.033
  669    H    ASP  87           H        ASP  87  -7.533  -2.498 -12.520
  670    HA   ASP  87           HA       ASP  87  -8.823  -2.921 -15.041
  671   1HB   ASP  87          2HB       ASP  87  -7.652  -4.563 -13.534
  672   2HB   ASP  87          3HB       ASP  87  -8.997  -4.408 -12.405
  673    H    GLY  88           H        GLY  88  -9.960  -1.013 -12.546
  674   1HA   GLY  88          2HA       GLY  88 -12.784  -1.415 -13.461
  675   2HA   GLY  88          3HA       GLY  88 -12.355  -0.981 -11.796
  676    H    PHE  89           H        PHE  89 -10.176   0.763 -13.504
  677    HA   PHE  89           HA       PHE  89 -12.044   3.074 -13.942
  678   1HB   PHE  89          2HB       PHE  89  -9.316   3.079 -12.622
  679   2HB   PHE  89          3HB       PHE  89 -10.271   4.510 -12.975
  680    HD1  PHE  89           HD1      PHE  89 -13.048   3.367 -12.051
  681    HD2  PHE  89           HD2      PHE  89  -9.106   3.412 -10.296
  682    HE1  PHE  89           HE1      PHE  89 -14.058   3.350  -9.805
  683    HE2  PHE  89           HE2      PHE  89 -10.142   3.463  -8.037
  684    HZ   PHE  89           HZ       PHE  89 -12.607   3.413  -7.781
  685    H    ARG  90           H        ARG  90  -9.394   1.292 -15.315
  686    HA   ARG  90           HA       ARG  90  -9.339   3.213 -17.628
  687   1HB   ARG  90          2HB       ARG  90  -7.032   2.041 -16.049
  688   2HB   ARG  90          3HB       ARG  90  -6.879   2.523 -17.750
  689   1HG   ARG  90          2HG       ARG  90  -7.276   4.827 -17.216
  690   2HG   ARG  90          3HG       ARG  90  -7.583   4.447 -15.512
  691   1HD   ARG  90          2HD       ARG  90  -5.205   5.301 -16.279
  692   2HD   ARG  90          3HD       ARG  90  -5.343   4.057 -15.051
  693    HE   ARG  90           HE       ARG  90  -4.961   2.334 -16.889
  694   1HH1  ARG  90          1HH2      ARG  90  -3.356   5.451 -17.070
  695   2HH1  ARG  90          2HH2      ARG  90  -2.350   4.943 -18.409
  696   1HH2  ARG  90          1HH1      ARG  90  -3.915   1.861 -18.718
  697   2HH2  ARG  90          2HH1      ARG  90  -2.570   2.856 -19.256
  698    H    GLU  91           H        GLU  91  -8.458  -0.049 -16.411
  699    HA   GLU  91           HA       GLU  91  -8.025  -0.986 -19.208
  700   1HB   GLU  91          2HB       GLU  91  -7.015  -1.746 -16.455
  701   2HB   GLU  91          3HB       GLU  91  -7.088  -2.969 -17.713
  702   1HG   GLU  91          2HG       GLU  91  -4.874  -2.024 -17.634
  703   2HG   GLU  91          3HG       GLU  91  -5.643  -1.708 -19.177
  Start of MODEL   10
    1    H    MET   1           H1       MET   1 -14.624   3.723 -14.917
    2    HA   MET   1           HA       MET   1 -14.496   3.069 -17.111
    3   1HB   MET   1          2HB       MET   1 -17.131   3.467 -17.349
    4   2HB   MET   1          3HB       MET   1 -16.584   5.007 -18.031
    5   1HG   MET   1          2HG       MET   1 -15.604   2.258 -18.893
    6   2HG   MET   1          3HG       MET   1 -16.920   3.122 -19.688
    7   1HE   MET   1          1HE       MET   1 -13.847   1.895 -20.594
    8   2HE   MET   1          2HE       MET   1 -15.177   2.232 -21.728
    9   3HE   MET   1          3HE       MET   1 -13.579   2.974 -21.984
   10    H    SER   2           H        SER   2 -12.869   3.995 -18.012
   11    HA   SER   2           HA       SER   2 -11.062   5.346 -18.196
   12   1HB   SER   2          2HB       SER   2 -12.746   6.646 -19.567
   13   2HB   SER   2          3HB       SER   2 -12.913   7.737 -18.175
   14    HG   SER   2           HG       SER   2 -11.308   8.444 -19.653
   15    H    LEU   3           H        LEU   3 -10.109   7.596 -17.259
   16    HA   LEU   3           HA       LEU   3 -10.268   7.508 -14.308
   17   1HB   LEU   3          2HB       LEU   3  -7.909   7.239 -14.117
   18   2HB   LEU   3          3HB       LEU   3  -8.562   5.929 -15.080
   19    HG   LEU   3           HG       LEU   3  -7.499   8.271 -16.634
   20   1HD1  LEU   3          1HD1      LEU   3  -5.811   8.077 -14.883
   21   2HD1  LEU   3          2HD1      LEU   3  -5.682   6.323 -15.159
   22   3HD1  LEU   3          3HD1      LEU   3  -5.176   7.475 -16.418
   23   1HD2  LEU   3          1HD2      LEU   3  -7.146   5.253 -16.920
   24   2HD2  LEU   3          2HD2      LEU   3  -8.364   6.225 -17.776
   25   3HD2  LEU   3          3HD2      LEU   3  -6.645   6.489 -18.093
   26    H    ARG   4           H        ARG   4  -8.173   9.238 -13.736
   27    HA   ARG   4           HA       ARG   4  -9.320  11.807 -14.725
   28   1HB   ARG   4          2HB       ARG   4  -9.784  11.073 -12.363
   29   2HB   ARG   4          3HB       ARG   4  -8.050  11.131 -12.029
   30   1HG   ARG   4          2HG       ARG   4  -8.005  13.532 -12.363
   31   2HG   ARG   4          3HG       ARG   4  -9.664  13.528 -13.004
   32   1HD   ARG   4          2HD       ARG   4 -10.510  12.755 -10.797
   33   2HD   ARG   4          3HD       ARG   4  -8.863  12.711 -10.178
   34    HE   ARG   4           HE       ARG   4  -8.809  14.992  -9.984
   35   1HH1  ARG   4          1HH2      ARG   4 -11.715  14.169 -11.764
   36   2HH1  ARG   4          2HH2      ARG   4 -12.395  15.769 -11.647
   37   1HH2  ARG   4          1HH1      ARG   4  -9.748  17.040  -9.809
   38   2HH2  ARG   4          2HH1      ARG   4 -11.284  17.367 -10.556
   39    H    LYS   5           H        LYS   5  -7.817  13.630 -14.753
   40    HA   LYS   5           HA       LYS   5  -5.402  13.202 -16.164
   41   1HB   LYS   5          2HB       LYS   5  -4.912  15.556 -15.725
   42   2HB   LYS   5          3HB       LYS   5  -6.528  15.280 -16.350
   43   1HG   LYS   5          2HG       LYS   5  -7.255  16.683 -14.759
   44   2HG   LYS   5          3HG       LYS   5  -7.076  15.339 -13.660
   45   1HD   LYS   5          2HD       LYS   5  -6.036  16.991 -12.494
   46   2HD   LYS   5          3HD       LYS   5  -4.633  16.283 -13.266
   47   1HE   LYS   5          2HE       LYS   5  -6.132  18.711 -14.334
   48   2HE   LYS   5          3HE       LYS   5  -4.760  18.806 -13.225
   49   1HZ   LYS   5          1HZ       LYS   5  -3.412  17.665 -14.877
   50   2HZ   LYS   5          2HZ       LYS   5  -4.672  17.624 -15.930
   51   3HZ   LYS   5          3HZ       LYS   5  -4.020  19.067 -15.486
   52    H    LEU   6           H        LEU   6  -3.789  11.982 -15.394
   53    HA   LEU   6           HA       LEU   6  -3.318  11.724 -12.578
   54   1HB   LEU   6          2HB       LEU   6  -1.694  10.794 -14.983
   55   2HB   LEU   6          3HB       LEU   6  -1.334  10.360 -13.319
   56    HG   LEU   6           HG       LEU   6  -3.857   9.620 -14.849
   57   1HD1  LEU   6          1HD1      LEU   6  -1.828   8.379 -15.511
   58   2HD1  LEU   6          2HD1      LEU   6  -1.545   7.928 -13.813
   59   3HD1  LEU   6          3HD1      LEU   6  -2.982   7.332 -14.670
   60   1HD2  LEU   6          1HD2      LEU   6  -3.042   8.982 -11.974
   61   2HD2  LEU   6          2HD2      LEU   6  -4.493   9.868 -12.509
   62   3HD2  LEU   6          3HD2      LEU   6  -4.338   8.149 -12.856
   63    H    THR   7           H        THR   7  -2.438  13.289 -11.354
   64    HA   THR   7           HA       THR   7   0.238  14.300 -12.022
   65    HB   THR   7           HB       THR   7  -1.325  15.975 -12.977
   66    HG1  THR   7           1HG      THR   7  -0.295  17.700 -11.991
   67   1HG2  THR   7          1HG2      THR   7  -3.206  15.793 -11.359
   68   2HG2  THR   7          2HG2      THR   7  -2.185  16.516 -10.104
   69   3HG2  THR   7          3HG2      THR   7  -2.624  17.456 -11.544
   70    H    GLU   8           H        GLU   8   0.699  15.900  -9.952
   71    HA   GLU   8           HA       GLU   8   1.440  14.225  -7.938
   72   1HB   GLU   8          2HB       GLU   8   0.676  17.130  -7.460
   73   2HB   GLU   8          3HB       GLU   8   1.841  16.173  -6.547
   74   1HG   GLU   8          2HG       GLU   8   2.111  17.126  -9.432
   75   2HG   GLU   8          3HG       GLU   8   2.978  17.734  -8.031
   76    H    GLY   9           H        GLY   9  -1.692  15.945  -7.980
   77   1HA   GLY   9          2HA       GLY   9  -2.579  15.217  -5.348
   78   2HA   GLY   9          3HA       GLY   9  -3.596  15.686  -6.731
   79    H    ASP  10           H        ASP  10  -3.472  13.802  -8.553
   80    HA   ASP  10           HA       ASP  10  -4.923  11.604  -7.556
   81   1HB   ASP  10          2HB       ASP  10  -3.410  11.812 -10.193
   82   2HB   ASP  10          3HB       ASP  10  -4.845  10.841  -9.859
   83    H    LEU  11           H        LEU  11  -1.457  11.889  -8.414
   84    HA   LEU  11           HA       LEU  11  -0.786   9.132  -7.823
   85   1HB   LEU  11          2HB       LEU  11   0.792  11.673  -8.199
   86   2HB   LEU  11          3HB       LEU  11   1.575  10.232  -7.583
   87    HG   LEU  11           HG       LEU  11   1.130   8.979  -9.550
   88   1HD1  LEU  11          1HD1      LEU  11  -1.084   9.737 -10.274
   89   2HD1  LEU  11          2HD1      LEU  11  -0.389  11.301 -10.766
   90   3HD1  LEU  11          3HD1      LEU  11   0.098   9.803 -11.583
   91   1HD2  LEU  11          1HD2      LEU  11   2.086  11.762 -10.325
   92   2HD2  LEU  11          2HD2      LEU  11   3.071  10.495  -9.566
   93   3HD2  LEU  11          3HD2      LEU  11   2.430  10.250 -11.198
   94    H    ASP  12           H        ASP  12  -0.736  12.119  -5.744
   95    HA   ASP  12           HA       ASP  12   0.169  10.718  -3.413
   96   1HB   ASP  12          2HB       ASP  12   0.184  13.171  -3.632
   97   2HB   ASP  12          3HB       ASP  12  -1.586  13.193  -3.622
   98    H    GLU  13           H        GLU  13  -3.199  11.342  -4.641
   99    HA   GLU  13           HA       GLU  13  -4.508   9.990  -2.523
  100   1HB   GLU  13          2HB       GLU  13  -5.579  11.461  -4.265
  101   2HB   GLU  13          3HB       GLU  13  -5.391  10.151  -5.431
  102   1HG   GLU  13          2HG       GLU  13  -7.631  10.071  -4.660
  103   2HG   GLU  13          3HG       GLU  13  -6.828   8.696  -3.927
  104    H    ILE  14           H        ILE  14  -3.271   8.610  -5.637
  105    HA   ILE  14           HA       ILE  14  -4.045   5.899  -5.037
  106    HB   ILE  14           HB       ILE  14  -1.947   7.152  -6.824
  107   1HG1  ILE  14          2HG1      ILE  14  -4.418   5.486  -7.459
  108   2HG1  ILE  14          3HG1      ILE  14  -4.475   7.239  -7.302
  109   1HG2  ILE  14          1HG2      ILE  14  -0.962   4.993  -6.200
  110   2HG2  ILE  14          2HG2      ILE  14  -2.504   4.165  -6.517
  111   3HG2  ILE  14          3HG2      ILE  14  -1.567   4.889  -7.843
  112   1HD1  ILE  14          1HD1      ILE  14  -2.852   7.450  -9.190
  113   2HD1  ILE  14          2HD1      ILE  14  -2.948   5.685  -9.424
  114   3HD1  ILE  14          3HD1      ILE  14  -4.392   6.683  -9.634
  115    H    SER  15           H        SER  15  -1.036   7.715  -4.312
  116    HA   SER  15           HA       SER  15   0.358   5.533  -3.082
  117   1HB   SER  15          2HB       SER  15   0.665   8.520  -2.563
  118   2HB   SER  15          3HB       SER  15   1.858   7.249  -2.229
  119    HG   SER  15           HG       SER  15   0.906   8.200  -4.722
  120    H    SER  16           H        SER  16  -1.762   8.058  -1.717
  121    HA   SER  16           HA       SER  16  -1.768   7.254   1.016
  122   1HB   SER  16          2HB       SER  16  -2.620   9.413   0.251
  123   2HB   SER  16          3HB       SER  16  -3.857   8.614  -0.731
  124    HG   SER  16           HG       SER  16  -4.869   9.147   1.080
  125    H    PHE  17           H        PHE  17  -3.948   6.289  -1.722
  126    HA   PHE  17           HA       PHE  17  -5.576   4.491  -0.251
  127   1HB   PHE  17          2HB       PHE  17  -6.287   5.236  -2.369
  128   2HB   PHE  17          3HB       PHE  17  -4.780   4.813  -3.146
  129    HD1  PHE  17           HD1      PHE  17  -4.306   2.626  -3.984
  130    HD2  PHE  17           HD2      PHE  17  -7.955   3.429  -1.830
  131    HE1  PHE  17           HE1      PHE  17  -5.246   0.464  -4.765
  132    HE2  PHE  17           HE2      PHE  17  -8.902   1.275  -2.640
  133    HZ   PHE  17           HZ       PHE  17  -7.557  -0.188  -4.132
  134    H    LEU  18           H        LEU  18  -2.460   3.861  -1.945
  135    HA   LEU  18           HA       LEU  18  -2.337   1.064  -1.253
  136   1HB   LEU  18          2HB       LEU  18  -0.167   3.115  -1.863
  137   2HB   LEU  18          3HB       LEU  18   0.144   1.392  -1.674
  138    HG   LEU  18           HG       LEU  18  -1.765   2.523  -3.763
  139   1HD1  LEU  18          1HD1      LEU  18   0.537   3.326  -4.164
  140   2HD1  LEU  18          2HD1      LEU  18   1.140   1.656  -4.076
  141   3HD1  LEU  18          3HD1      LEU  18   0.034   2.148  -5.381
  142   1HD2  LEU  18          1HD2      LEU  18  -0.507  -0.223  -3.466
  143   2HD2  LEU  18          2HD2      LEU  18  -2.228   0.182  -3.253
  144   3HD2  LEU  18          3HD2      LEU  18  -1.473   0.363  -4.831
  145    H    HIS  19           H        HIS  19  -0.841   3.937   0.372
  146    HA   HIS  19           HA       HIS  19   0.317   2.503   2.511
  147   1HB   HIS  19          2HB       HIS  19   0.836   4.823   1.897
  148   2HB   HIS  19          3HB       HIS  19  -0.770   5.342   2.394
  149    HD1  HIS  19           HD1      HIS  19   0.846   7.034   3.938
  150    HD2  HIS  19           HD2      HIS  19   0.692   2.969   4.978
  151    HE1  HIS  19           HE1      HIS  19   1.699   6.852   6.343
  152    H    ASN  20           H        ASN  20  -2.949   4.047   2.379
  153    HA   ASN  20           HA       ASN  20  -3.764   3.103   4.972
  154   1HB   ASN  20          2HB       ASN  20  -5.315   4.067   2.541
  155   2HB   ASN  20          3HB       ASN  20  -6.097   3.521   4.023
  156   1HD2  ASN  20          2HD2      ASN  20  -4.172   6.122   2.612
  157   2HD2  ASN  20          1HD2      ASN  20  -4.384   7.188   4.003
  158    H    THR  21           H        THR  21  -3.962   1.525   1.720
  159    HA   THR  21           HA       THR  21  -5.538  -0.694   2.593
  160    HB   THR  21           HB       THR  21  -3.360  -0.675   0.446
  161    HG1  THR  21           1HG      THR  21  -5.008   0.768  -0.053
  162   1HG2  THR  21          1HG2      THR  21  -3.907  -2.979   1.074
  163   2HG2  THR  21          2HG2      THR  21  -5.649  -2.614   1.024
  164   3HG2  THR  21          3HG2      THR  21  -4.677  -2.600  -0.455
  165    H    ILE  22           H        ILE  22  -1.938  -0.295   2.572
  166    HA   ILE  22           HA       ILE  22  -1.417  -2.865   3.788
  167    HB   ILE  22           HB       ILE  22   0.248  -0.322   3.861
  168   1HG1  ILE  22          2HG1      ILE  22   0.271  -2.675   1.935
  169   2HG1  ILE  22          3HG1      ILE  22  -0.176  -1.008   1.569
  170   1HG2  ILE  22          1HG2      ILE  22   0.898  -2.160   5.558
  171   2HG2  ILE  22          2HG2      ILE  22   1.288  -3.172   4.150
  172   3HG2  ILE  22          3HG2      ILE  22   2.158  -1.675   4.440
  173   1HD1  ILE  22          1HD1      ILE  22   2.225  -0.388   2.318
  174   2HD1  ILE  22          2HD1      ILE  22   2.547  -2.133   2.129
  175   3HD1  ILE  22          3HD1      ILE  22   1.955  -1.178   0.739
  176    H    SER  23           H        SER  23  -1.780   0.436   5.204
  177    HA   SER  23           HA       SER  23  -1.357  -0.275   7.910
  178   1HB   SER  23          2HB       SER  23  -1.485   2.039   6.985
  179   2HB   SER  23          3HB       SER  23  -3.249   1.855   6.846
  180    HG   SER  23           HG       SER  23  -2.615   2.842   8.819
  181    H    ASP  24           H        ASP  24  -4.521  -0.145   6.114
  182    HA   ASP  24           HA       ASP  24  -6.099  -1.182   8.250
  183   1HB   ASP  24          2HB       ASP  24  -6.384  -1.205   5.216
  184   2HB   ASP  24          3HB       ASP  24  -7.562  -1.974   6.252
  185    H    PHE  25           H        PHE  25  -4.261  -2.944   5.654
  186    HA   PHE  25           HA       PHE  25  -5.251  -5.537   6.362
  187   1HB   PHE  25          2HB       PHE  25  -4.002  -4.941   4.276
  188   2HB   PHE  25          3HB       PHE  25  -2.529  -4.785   5.216
  189    HD1  PHE  25           HD1      PHE  25  -4.722  -7.047   3.453
  190    HD2  PHE  25           HD2      PHE  25  -1.604  -6.864   6.428
  191    HE1  PHE  25           HE1      PHE  25  -4.293  -9.471   3.161
  192    HE2  PHE  25           HE2      PHE  25  -1.131  -9.265   6.083
  193    HZ   PHE  25           HZ       PHE  25  -2.524 -10.588   4.475
  194    H    ILE  26           H        ILE  26  -2.348  -3.716   7.537
  195    HA   ILE  26           HA       ILE  26  -1.462  -5.700   9.366
  196    HB   ILE  26           HB       ILE  26  -1.091  -2.697   9.103
  197   1HG1  ILE  26          2HG1      ILE  26   0.851  -5.027   8.686
  198   2HG1  ILE  26          3HG1      ILE  26  -0.114  -4.334   7.391
  199   1HG2  ILE  26          1HG2      ILE  26  -0.863  -3.181  11.463
  200   2HG2  ILE  26          2HG2      ILE  26   0.183  -4.581  11.122
  201   3HG2  ILE  26          3HG2      ILE  26   0.733  -2.919  10.786
  202   1HD1  ILE  26          1HD1      ILE  26   0.936  -2.084   7.877
  203   2HD1  ILE  26          2HD1      ILE  26   2.067  -2.934   8.952
  204   3HD1  ILE  26          3HD1      ILE  26   2.019  -3.339   7.229
  205    H    LEU  27           H        LEU  27  -3.554  -2.765   9.944
  206    HA   LEU  27           HA       LEU  27  -4.058  -3.405  12.667
  207   1HB   LEU  27          2HB       LEU  27  -5.312  -1.636  10.579
  208   2HB   LEU  27          3HB       LEU  27  -6.293  -2.007  11.972
  209    HG   LEU  27           HG       LEU  27  -5.086   0.118  12.183
  210   1HD1  LEU  27          1HD1      LEU  27  -5.813  -1.180  14.177
  211   2HD1  LEU  27          2HD1      LEU  27  -4.190  -1.897  14.279
  212   3HD1  LEU  27          3HD1      LEU  27  -4.409  -0.145  14.476
  213   1HD2  LEU  27          1HD2      LEU  27  -2.534  -1.530  12.415
  214   2HD2  LEU  27          2HD2      LEU  27  -2.948  -0.424  11.084
  215   3HD2  LEU  27          3HD2      LEU  27  -2.703   0.210  12.713
  216    H    LYS  28           H        LYS  28  -5.685  -4.697   9.784
  217    HA   LYS  28           HA       LYS  28  -7.668  -6.137  11.417
  218   1HB   LYS  28          2HB       LYS  28  -6.965  -6.111   8.462
  219   2HB   LYS  28          3HB       LYS  28  -8.136  -7.249   9.133
  220   1HG   LYS  28          2HG       LYS  28  -9.541  -5.486   9.995
  221   2HG   LYS  28          3HG       LYS  28  -8.394  -4.238   9.514
  222   1HD   LYS  28          2HD       LYS  28  -9.825  -6.085   7.547
  223   2HD   LYS  28          3HD       LYS  28 -10.378  -4.462   8.011
  224   1HE   LYS  28          2HE       LYS  28  -8.120  -3.581   7.325
  225   2HE   LYS  28          3HE       LYS  28  -7.746  -5.161   6.640
  226   1HZ   LYS  28          1HZ       LYS  28  -9.666  -4.869   5.160
  227   2HZ   LYS  28          2HZ       LYS  28  -9.974  -3.387   5.817
  228   3HZ   LYS  28          3HZ       LYS  28  -8.593  -3.630   4.977
  229    H    ARG  29           H        ARG  29  -4.374  -6.758  10.820
  230    HA   ARG  29           HA       ARG  29  -4.815  -9.685  11.350
  231   1HB   ARG  29          2HB       ARG  29  -4.045  -8.839   9.031
  232   2HB   ARG  29          3HB       ARG  29  -2.528  -8.428   9.823
  233   1HG   ARG  29          2HG       ARG  29  -2.028 -10.470   9.020
  234   2HG   ARG  29          3HG       ARG  29  -2.617 -10.978  10.606
  235   1HD   ARG  29          2HD       ARG  29  -4.742 -11.659   9.661
  236   2HD   ARG  29          3HD       ARG  29  -4.306 -11.001   8.077
  237    HE   ARG  29           HE       ARG  29  -3.411 -13.533   9.243
  238   1HH1  ARG  29          1HH2      ARG  29  -2.493 -11.082   6.833
  239   2HH1  ARG  29          2HH2      ARG  29  -1.277 -12.212   6.162
  240   1HH2  ARG  29          1HH1      ARG  29  -1.759 -14.805   8.139
  241   2HH2  ARG  29          2HH1      ARG  29  -0.993 -14.024   6.736
  242    H    VAL  30           H        VAL  30  -2.759  -6.920  12.308
  243    HA   VAL  30           HA       VAL  30  -1.799  -8.501  14.653
  244    HB   VAL  30           HB       VAL  30  -0.081  -6.514  13.119
  245   1HG1  VAL  30          1HG1      VAL  30   0.617  -6.881  15.447
  246   2HG1  VAL  30          2HG1      VAL  30   0.533  -8.642  15.226
  247   3HG1  VAL  30          3HG1      VAL  30   1.754  -7.694  14.366
  248   1HG2  VAL  30          1HG2      VAL  30  -0.037  -9.540  12.873
  249   2HG2  VAL  30          2HG2      VAL  30  -0.395  -8.369  11.575
  250   3HG2  VAL  30          3HG2      VAL  30   1.225  -8.445  12.261
  251    H    SER  31           H        SER  31  -1.531  -7.218  16.609
  252    HA   SER  31           HA       SER  31  -3.497  -5.046  16.552
  253   1HB   SER  31          2HB       SER  31  -3.725  -6.768  18.184
  254   2HB   SER  31          3HB       SER  31  -2.120  -6.466  18.845
  255    HG   SER  31           HG       SER  31  -3.887  -5.480  19.986
  256    H    ALA  32           H        ALA  32  -3.256  -2.933  16.819
  257    HA   ALA  32           HA       ALA  32  -0.901  -1.447  16.928
  258   1HB   ALA  32          1HB       ALA  32  -3.622  -0.792  18.130
  259   2HB   ALA  32          2HB       ALA  32  -2.330   0.376  17.765
  260   3HB   ALA  32          3HB       ALA  32  -3.112  -0.512  16.447
  261    H    LYS  33           H        LYS  33  -2.323  -3.297  19.555
  262    HA   LYS  33           HA       LYS  33  -0.845  -1.913  21.692
  263   1HB   LYS  33          2HB       LYS  33  -2.403  -4.536  21.719
  264   2HB   LYS  33          3HB       LYS  33  -1.772  -3.684  23.132
  265   1HG   LYS  33          2HG       LYS  33  -3.192  -1.708  22.580
  266   2HG   LYS  33          3HG       LYS  33  -3.891  -2.607  21.219
  267   1HD   LYS  33          2HD       LYS  33  -4.724  -4.338  22.788
  268   2HD   LYS  33          3HD       LYS  33  -4.049  -3.416  24.153
  269   1HE   LYS  33          2HE       LYS  33  -5.460  -1.470  23.528
  270   2HE   LYS  33          3HE       LYS  33  -6.129  -2.383  22.168
  271   1HZ   LYS  33          1HZ       LYS  33  -7.591  -2.459  24.089
  272   2HZ   LYS  33          2HZ       LYS  33  -7.031  -3.971  23.758
  273   3HZ   LYS  33          3HZ       LYS  33  -6.410  -3.121  25.022
  274    H    GLU  34           H        GLU  34   0.169  -4.111  19.348
  275    HA   GLU  34           HA       GLU  34   2.566  -4.851  20.995
  276   1HB   GLU  34          2HB       GLU  34   2.682  -6.979  19.748
  277   2HB   GLU  34          3HB       GLU  34   1.212  -6.855  20.734
  278   1HG   GLU  34          2HG       GLU  34  -0.067  -6.183  18.776
  279   2HG   GLU  34          3HG       GLU  34   1.359  -6.298  17.729
  280    H    ILE  35           H        ILE  35   1.302  -3.699  17.928
  281    HA   ILE  35           HA       ILE  35   3.831  -3.502  16.513
  282    HB   ILE  35           HB       ILE  35   1.213  -1.969  16.292
  283   1HG1  ILE  35          2HG1      ILE  35   1.184  -4.529  15.812
  284   2HG1  ILE  35          3HG1      ILE  35   0.426  -3.420  14.685
  285   1HG2  ILE  35          1HG2      ILE  35   2.976  -0.638  15.269
  286   2HG2  ILE  35          2HG2      ILE  35   3.551  -2.037  14.332
  287   3HG2  ILE  35          3HG2      ILE  35   1.952  -1.337  14.012
  288   1HD1  ILE  35          1HD1      ILE  35   2.212  -3.646  13.126
  289   2HD1  ILE  35          2HD1      ILE  35   3.229  -4.525  14.303
  290   3HD1  ILE  35          3HD1      ILE  35   1.753  -5.265  13.647
  291    H    VAL  36           H        VAL  36   5.458  -2.318  17.280
  292    HA   VAL  36           HA       VAL  36   5.170  -0.089  19.181
  293    HB   VAL  36           HB       VAL  36   7.488  -1.383  17.690
  294   1HG1  VAL  36          1HG1      VAL  36   8.064   0.952  17.685
  295   2HG1  VAL  36          2HG1      VAL  36   7.607   1.126  19.400
  296   3HG1  VAL  36          3HG1      VAL  36   9.014   0.138  18.933
  297   1HG2  VAL  36          1HG2      VAL  36   6.912  -1.032  20.663
  298   2HG2  VAL  36          2HG2      VAL  36   6.570  -2.498  19.727
  299   3HG2  VAL  36          3HG2      VAL  36   8.243  -1.961  19.934
  300    H    ASP  37           H        ASP  37   6.031  -0.533  15.715
  301    HA   ASP  37           HA       ASP  37   4.454   1.760  15.041
  302   1HB   ASP  37          2HB       ASP  37   6.963   2.575  15.778
  303   2HB   ASP  37          3HB       ASP  37   7.255   2.247  14.077
  304    H    ILE  38           H        ILE  38   4.795   2.354  12.633
  305    HA   ILE  38           HA       ILE  38   5.754   0.121  10.959
  306    HB   ILE  38           HB       ILE  38   3.778   0.403   9.402
  307   1HG1  ILE  38          2HG1      ILE  38   2.352   1.505  11.866
  308   2HG1  ILE  38          3HG1      ILE  38   2.763   2.433  10.423
  309   1HG2  ILE  38          1HG2      ILE  38   4.234  -1.585  10.751
  310   2HG2  ILE  38          2HG2      ILE  38   3.243  -0.932  12.069
  311   3HG2  ILE  38          3HG2      ILE  38   2.506  -1.341  10.503
  312   1HD1  ILE  38          1HD1      ILE  38   1.323   0.877   9.061
  313   2HD1  ILE  38          2HD1      ILE  38   0.783   0.131  10.585
  314   3HD1  ILE  38          3HD1      ILE  38   0.451   1.838  10.271
  315    H    ASP  39           H        ASP  39   6.728   0.747   9.150
  316    HA   ASP  39           HA       ASP  39   6.595   3.646   8.385
  317   1HB   ASP  39          2HB       ASP  39   9.045   1.846   8.443
  318   2HB   ASP  39          3HB       ASP  39   8.958   3.403   7.632
  319    H    ILE  40           H        ILE  40   5.760   3.876   6.424
  320    HA   ILE  40           HA       ILE  40   6.000   1.676   4.433
  321    HB   ILE  40           HB       ILE  40   3.477   3.083   5.341
  322   1HG1  ILE  40          2HG1      ILE  40   3.979   0.124   4.883
  323   2HG1  ILE  40          3HG1      ILE  40   4.390   0.869   6.427
  324   1HG2  ILE  40          1HG2      ILE  40   3.430   3.124   2.884
  325   2HG2  ILE  40          2HG2      ILE  40   3.958   1.422   2.811
  326   3HG2  ILE  40          3HG2      ILE  40   2.353   1.848   3.432
  327   1HD1  ILE  40          1HD1      ILE  40   2.049   1.524   6.766
  328   2HD1  ILE  40          2HD1      ILE  40   1.622   0.720   5.233
  329   3HD1  ILE  40          3HD1      ILE  40   2.278  -0.231   6.581
  330    H    THR  41           H        THR  41   6.958   2.356   2.743
  331    HA   THR  41           HA       THR  41   6.769   5.227   1.905
  332    HB   THR  41           HB       THR  41   9.147   3.347   1.640
  333    HG1  THR  41           1HG      THR  41   9.996   4.481   3.262
  334   1HG2  THR  41          1HG2      THR  41   9.030   5.011  -0.207
  335   2HG2  THR  41          2HG2      THR  41   8.833   6.316   0.982
  336   3HG2  THR  41          3HG2      THR  41  10.349   5.391   0.909
  337    H    VAL  42           H        VAL  42   5.643   5.380   0.120
  338    HA   VAL  42           HA       VAL  42   5.556   3.177  -1.872
  339    HB   VAL  42           HB       VAL  42   3.339   4.338  -2.446
  340   1HG1  VAL  42          1HG1      VAL  42   3.488   2.104  -1.439
  341   2HG1  VAL  42          2HG1      VAL  42   3.600   2.819   0.182
  342   3HG1  VAL  42          3HG1      VAL  42   2.111   2.997  -0.770
  343   1HG2  VAL  42          1HG2      VAL  42   3.490   5.324   0.439
  344   2HG2  VAL  42          2HG2      VAL  42   3.619   6.369  -0.996
  345   3HG2  VAL  42          3HG2      VAL  42   2.133   5.464  -0.677
  346    H    LEU  43           H        LEU  43   6.206   3.617  -3.856
  347    HA   LEU  43           HA       LEU  43   6.828   6.455  -4.596
  348   1HB   LEU  43          2HB       LEU  43   8.283   3.910  -5.429
  349   2HB   LEU  43          3HB       LEU  43   8.596   5.520  -6.034
  350    HG   LEU  43           HG       LEU  43  10.325   5.117  -4.604
  351   1HD1  LEU  43          1HD1      LEU  43   9.314   7.342  -4.219
  352   2HD1  LEU  43          2HD1      LEU  43   8.423   6.681  -2.828
  353   3HD1  LEU  43          3HD1      LEU  43  10.194   6.724  -2.810
  354   1HD2  LEU  43          1HD2      LEU  43   8.488   4.172  -2.375
  355   2HD2  LEU  43          2HD2      LEU  43   9.441   3.124  -3.445
  356   3HD2  LEU  43          3HD2      LEU  43  10.258   4.251  -2.353
  357    H    VAL  44           H        VAL  44   6.133   7.138  -6.554
  358    HA   VAL  44           HA       VAL  44   5.068   5.221  -8.502
  359    HB   VAL  44           HB       VAL  44   3.100   5.706  -7.240
  360   1HG1  VAL  44          1HG1      VAL  44   3.626   7.821  -6.149
  361   2HG1  VAL  44          2HG1      VAL  44   3.570   8.674  -7.712
  362   3HG1  VAL  44          3HG1      VAL  44   2.105   7.931  -7.020
  363   1HG2  VAL  44          1HG2      VAL  44   3.004   7.279  -9.841
  364   2HG2  VAL  44          2HG2      VAL  44   2.919   5.507  -9.701
  365   3HG2  VAL  44          3HG2      VAL  44   1.644   6.514  -8.992
  366    H    GLU  45           H        GLU  45   5.560   5.751 -10.540
  367    HA   GLU  45           HA       GLU  45   6.659   8.428 -11.209
  368   1HB   GLU  45          2HB       GLU  45   8.413   6.781 -10.133
  369   2HB   GLU  45          3HB       GLU  45   8.256   5.882 -11.640
  370   1HG   GLU  45          2HG       GLU  45   8.811   8.205 -12.773
  371   2HG   GLU  45          3HG       GLU  45   9.362   8.664 -11.168
  372    H    TYR  46           H        TYR  46   7.069   8.588 -13.615
  373    HA   TYR  46           HA       TYR  46   5.998   6.388 -15.239
  374   1HB   TYR  46          2HB       TYR  46   4.101   7.955 -14.522
  375   2HB   TYR  46          3HB       TYR  46   4.808   9.151 -15.586
  376    HD1  TYR  46           HD1      TYR  46   5.578   7.195 -17.955
  377    HD2  TYR  46           HD2      TYR  46   2.058   7.603 -15.484
  378    HE1  TYR  46           HE1      TYR  46   4.212   6.118 -19.711
  379    HE2  TYR  46           HE2      TYR  46   0.694   6.544 -17.246
  380    HH   TYR  46           HH       TYR  46   0.702   5.577 -19.336
  381    H    THR  47           H        THR  47   7.802   6.049 -16.328
  382    HA   THR  47           HA       THR  47   9.275   8.282 -17.672
  383    HB   THR  47           HB       THR  47  10.535   6.076 -15.996
  384    HG1  THR  47           1HG      THR  47  10.656   7.524 -14.489
  385   1HG2  THR  47          1HG2      THR  47  11.977   6.591 -17.947
  386   2HG2  THR  47          2HG2      THR  47  11.813   8.333 -17.615
  387   3HG2  THR  47          3HG2      THR  47  12.663   7.276 -16.467
  388    H    ASP  48           H        ASP  48   8.083   7.626 -19.472
  389    HA   ASP  48           HA       ASP  48   7.518   6.571 -21.367
  390   1HB   ASP  48          2HB       ASP  48  10.004   6.240 -21.633
  391   2HB   ASP  48          3HB       ASP  48   9.797   4.608 -20.991
  392    H    GLU  49           H        GLU  49   8.357   4.195 -18.847
  393    HA   GLU  49           HA       GLU  49   5.745   2.801 -19.238
  394   1HB   GLU  49          2HB       GLU  49   6.656   1.148 -17.655
  395   2HB   GLU  49          3HB       GLU  49   7.621   1.267 -19.124
  396   1HG   GLU  49          2HG       GLU  49   9.402   2.403 -18.042
  397   2HG   GLU  49          3HG       GLU  49   8.423   2.834 -16.645
  398    H    LEU  50           H        LEU  50   4.431   2.409 -17.337
  399    HA   LEU  50           HA       LEU  50   4.461   4.547 -15.279
  400   1HB   LEU  50          2HB       LEU  50   2.291   4.012 -16.240
  401   2HB   LEU  50          3HB       LEU  50   2.556   2.283 -16.002
  402    HG   LEU  50           HG       LEU  50   2.477   2.601 -13.528
  403   1HD1  LEU  50          1HD1      LEU  50   3.142   4.988 -13.371
  404   2HD1  LEU  50          2HD1      LEU  50   1.634   5.456 -14.184
  405   3HD1  LEU  50          3HD1      LEU  50   1.597   4.684 -12.581
  406   1HD2  LEU  50          1HD2      LEU  50   0.047   3.663 -15.008
  407   2HD2  LEU  50          2HD2      LEU  50   0.474   1.950 -14.782
  408   3HD2  LEU  50          3HD2      LEU  50   0.073   2.948 -13.377
  409    H    LYS  51           H        LYS  51   5.387   4.184 -13.291
  410    HA   LYS  51           HA       LYS  51   5.873   1.354 -12.467
  411   1HB   LYS  51          2HB       LYS  51   7.920   2.532 -13.395
  412   2HB   LYS  51          3HB       LYS  51   7.777   3.697 -12.093
  413   1HG   LYS  51          2HG       LYS  51   9.471   2.021 -11.585
  414   2HG   LYS  51          3HG       LYS  51   8.168   1.955 -10.411
  415   1HD   LYS  51          2HD       LYS  51   9.010  -0.294 -11.100
  416   2HD   LYS  51          3HD       LYS  51   7.288  -0.082 -11.362
  417   1HE   LYS  51          2HE       LYS  51   8.215  -1.238 -13.281
  418   2HE   LYS  51          3HE       LYS  51   7.691   0.363 -13.781
  419   1HZ   LYS  51          1HZ       LYS  51  10.054   1.066 -13.532
  420   2HZ   LYS  51          2HZ       LYS  51  10.478  -0.524 -13.346
  421   3HZ   LYS  51          3HZ       LYS  51   9.771   0.038 -14.739
  422    H    VAL  52           H        VAL  52   5.432   0.849 -10.429
  423    HA   VAL  52           HA       VAL  52   5.097   2.917  -8.384
  424    HB   VAL  52           HB       VAL  52   2.828   2.611  -9.054
  425   1HG1  VAL  52          1HG1      VAL  52   2.901   0.470 -10.235
  426   2HG1  VAL  52          2HG1      VAL  52   3.161  -0.394  -8.698
  427   3HG1  VAL  52          3HG1      VAL  52   1.636   0.462  -9.006
  428   1HG2  VAL  52          1HG2      VAL  52   3.217   0.965  -6.514
  429   2HG2  VAL  52          2HG2      VAL  52   3.253   2.743  -6.610
  430   3HG2  VAL  52          3HG2      VAL  52   1.775   1.861  -7.014
  431    H    ASP  53           H        ASP  53   5.897   2.280  -6.430
  432    HA   ASP  53           HA       ASP  53   6.647  -0.547  -6.054
  433   1HB   ASP  53          2HB       ASP  53   8.632   0.546  -7.094
  434   2HB   ASP  53          3HB       ASP  53   8.681   1.685  -5.737
  435    H    ILE  54           H        ILE  54   7.070  -1.141  -3.923
  436    HA   ILE  54           HA       ILE  54   5.752   0.600  -1.884
  437    HB   ILE  54           HB       ILE  54   4.915  -2.247  -2.577
  438   1HG1  ILE  54          2HG1      ILE  54   3.537   0.429  -3.078
  439   2HG1  ILE  54          3HG1      ILE  54   4.070  -0.740  -4.282
  440   1HG2  ILE  54          1HG2      ILE  54   4.801  -1.673  -0.136
  441   2HG2  ILE  54          2HG2      ILE  54   3.744  -0.305  -0.542
  442   3HG2  ILE  54          3HG2      ILE  54   3.236  -1.989  -0.858
  443   1HD1  ILE  54          1HD1      ILE  54   2.378  -2.370  -3.393
  444   2HD1  ILE  54          2HD1      ILE  54   1.741  -1.055  -2.370
  445   3HD1  ILE  54          3HD1      ILE  54   1.724  -0.899  -4.146
  446    H    SER  55           H        SER  55   7.050   0.701  -0.161
  447    HA   SER  55           HA       SER  55   8.433  -1.803   0.766
  448   1HB   SER  55          2HB       SER  55   9.362   1.094   0.865
  449   2HB   SER  55          3HB       SER  55  10.099  -0.219   1.804
  450    HG   SER  55           HG       SER  55   9.784  -0.327  -1.013
  451    H    ALA  56           H        ALA  56   7.715  -2.471   2.725
  452    HA   ALA  56           HA       ALA  56   6.571  -0.488   4.609
  453   1HB   ALA  56          1HB       ALA  56   4.690  -1.595   3.447
  454   2HB   ALA  56          2HB       ALA  56   5.327  -3.185   3.942
  455   3HB   ALA  56          3HB       ALA  56   4.750  -2.031   5.165
  456    H    GLU  57           H        GLU  57   7.073  -0.800   6.705
  457    HA   GLU  57           HA       GLU  57   8.639  -3.221   7.518
  458   1HB   GLU  57          2HB       GLU  57   9.018  -0.281   8.172
  459   2HB   GLU  57          3HB       GLU  57   9.786  -1.588   9.078
  460   1HG   GLU  57          2HG       GLU  57  11.060  -2.305   7.234
  461   2HG   GLU  57          3HG       GLU  57  10.159  -1.296   6.090
  462    H    LEU  58           H        LEU  58   8.267  -4.024   9.506
  463    HA   LEU  58           HA       LEU  58   5.928  -3.039  11.084
  464   1HB   LEU  58          2HB       LEU  58   6.759  -5.780  10.094
  465   2HB   LEU  58          3HB       LEU  58   5.992  -5.668  11.658
  466    HG   LEU  58           HG       LEU  58   4.481  -6.265   9.794
  467   1HD1  LEU  58          1HD1      LEU  58   2.629  -4.818  10.542
  468   2HD1  LEU  58          2HD1      LEU  58   3.593  -5.480  11.865
  469   3HD1  LEU  58          3HD1      LEU  58   3.791  -3.779  11.405
  470   1HD2  LEU  58          1HD2      LEU  58   4.519  -3.350   8.964
  471   2HD2  LEU  58          2HD2      LEU  58   5.447  -4.600   8.117
  472   3HD2  LEU  58          3HD2      LEU  58   3.686  -4.728   8.203
  473    H    TYR  59           H        TYR  59   6.819  -2.070  12.845
  474    HA   TYR  59           HA       TYR  59   9.124  -3.427  14.170
  475   1HB   TYR  59          2HB       TYR  59   8.075  -0.586  14.327
  476   2HB   TYR  59          3HB       TYR  59   9.268  -1.260  15.427
  477    HD1  TYR  59           HD1      TYR  59  11.504  -1.940  14.649
  478    HD2  TYR  59           HD2      TYR  59   8.692  -0.103  11.922
  479    HE1  TYR  59           HE1      TYR  59  13.322  -1.587  12.980
  480    HE2  TYR  59           HE2      TYR  59  10.511   0.309  10.326
  481    HH   TYR  59           HH       TYR  59  12.653  -0.312   9.668
  482    H    LEU  60           H        LEU  60   8.572  -4.812  15.636
  483    HA   LEU  60           HA       LEU  60   5.974  -4.639  17.090
  484   1HB   LEU  60          2HB       LEU  60   7.641  -6.930  15.993
  485   2HB   LEU  60          3HB       LEU  60   6.495  -7.215  17.293
  486    HG   LEU  60           HG       LEU  60   5.615  -5.877  14.707
  487   1HD1  LEU  60          1HD1      LEU  60   6.606  -8.057  14.115
  488   2HD1  LEU  60          2HD1      LEU  60   5.612  -8.855  15.356
  489   3HD1  LEU  60          3HD1      LEU  60   4.842  -8.084  13.947
  490   1HD2  LEU  60          1HD2      LEU  60   4.121  -7.512  16.821
  491   2HD2  LEU  60          2HD2      LEU  60   4.119  -5.748  16.720
  492   3HD2  LEU  60          3HD2      LEU  60   3.412  -6.694  15.414
  493    H    ASP  61           H        ASP  61   5.897  -5.331  19.267
  494    HA   ASP  61           HA       ASP  61   8.205  -4.502  20.815
  495   1HB   ASP  61          2HB       ASP  61   5.829  -4.245  21.550
  496   2HB   ASP  61          3HB       ASP  61   5.717  -6.002  21.724
  497    H    GLU  62           H        GLU  62   9.465  -5.769  22.219
  498    HA   GLU  62           HA       GLU  62  10.459  -8.269  21.048
  499   1HB   GLU  62          2HB       GLU  62  11.315  -6.718  23.532
  500   2HB   GLU  62          3HB       GLU  62  12.155  -8.122  22.859
  501   1HG   GLU  62          2HG       GLU  62  12.438  -6.871  20.695
  502   2HG   GLU  62          3HG       GLU  62  11.788  -5.431  21.489
  503    H    LEU  63           H        LEU  63   7.779  -8.250  22.144
  504    HA   LEU  63           HA       LEU  63   7.795 -10.571  23.982
  505   1HB   LEU  63          2HB       LEU  63   6.294  -7.943  24.330
  506   2HB   LEU  63          3HB       LEU  63   5.925  -9.392  25.257
  507    HG   LEU  63           HG       LEU  63   8.608  -7.935  25.358
  508   1HD1  LEU  63          1HD1      LEU  63   6.805  -6.590  26.319
  509   2HD1  LEU  63          2HD1      LEU  63   6.288  -7.960  27.328
  510   3HD1  LEU  63          3HD1      LEU  63   7.880  -7.201  27.584
  511   1HD2  LEU  63          1HD2      LEU  63   7.467 -10.217  27.040
  512   2HD2  LEU  63          2HD2      LEU  63   8.847 -10.322  25.920
  513   3HD2  LEU  63          3HD2      LEU  63   8.978  -9.340  27.380
  514    H    SER  64           H        SER  64   6.932  -9.542  20.996
  515    HA   SER  64           HA       SER  64   4.674 -11.466  20.952
  516   1HB   SER  64          2HB       SER  64   3.705  -9.149  20.918
  517   2HB   SER  64          3HB       SER  64   4.547  -8.853  19.384
  518    HG   SER  64           HG       SER  64   2.287  -9.747  19.097
  519    H    ASP  65           H        ASP  65   4.150 -12.136  18.730
  520    HA   ASP  65           HA       ASP  65   6.442 -12.495  16.897
  521   1HB   ASP  65          2HB       ASP  65   5.175 -14.756  18.507
  522   2HB   ASP  65          3HB       ASP  65   6.092 -15.006  17.026
  523    H    ALA  66           H        ALA  66   5.177 -11.483  15.368
  524    HA   ALA  66           HA       ALA  66   2.556 -12.480  14.538
  525   1HB   ALA  66          1HB       ALA  66   3.218 -10.090  14.374
  526   2HB   ALA  66          2HB       ALA  66   4.485 -10.532  13.200
  527   3HB   ALA  66          3HB       ALA  66   2.770 -10.761  12.803
  528    H    ASP  67           H        ASP  67   2.368 -12.905  11.994
  529    HA   ASP  67           HA       ASP  67   3.650 -15.389  11.643
  530   1HB   ASP  67          2HB       ASP  67   1.959 -13.780   9.675
  531   2HB   ASP  67          3HB       ASP  67   2.285 -15.503   9.583
  532    HA   PRO  68           HA       PRO  68   7.193 -14.298   9.241
  533   1HB   PRO  68          2HB       PRO  68   7.970 -16.704   8.217
  534   2HB   PRO  68          3HB       PRO  68   7.889 -16.379   9.968
  535   1HG   PRO  68          2HG       PRO  68   5.744 -17.677   8.248
  536   2HG   PRO  68          3HG       PRO  68   6.486 -18.319   9.753
  537   1HD   PRO  68          2HD       PRO  68   4.150 -16.949   9.818
  538   2HD   PRO  68          3HD       PRO  68   5.383 -16.720  11.093
  539    H    GLY  69           H        GLY  69   5.103 -13.334   7.966
  540   1HA   GLY  69          2HA       GLY  69   6.015 -12.763   5.369
  541   2HA   GLY  69          3HA       GLY  69   4.721 -13.951   5.185
  542    H    ILE  70           H        ILE  70   4.142 -11.899   7.954
  543    HA   ILE  70           HA       ILE  70   1.713 -11.117   6.816
  544    HB   ILE  70           HB       ILE  70   2.584 -11.457   9.263
  545   1HG1  ILE  70          2HG1      ILE  70   0.514  -9.298   9.192
  546   2HG1  ILE  70          3HG1      ILE  70   0.180 -10.778   8.290
  547   1HG2  ILE  70          1HG2      ILE  70   2.847  -9.430  10.602
  548   2HG2  ILE  70          2HG2      ILE  70   4.120  -9.507   9.373
  549   3HG2  ILE  70          3HG2      ILE  70   2.726  -8.406   9.177
  550   1HD1  ILE  70          1HD1      ILE  70   0.252 -12.150  10.158
  551   2HD1  ILE  70          2HD1      ILE  70   1.198 -11.007  11.133
  552   3HD1  ILE  70          3HD1      ILE  70  -0.498 -10.690  10.816
  553    H    VAL  71           H        VAL  71   4.745  -9.458   6.764
  554    HA   VAL  71           HA       VAL  71   3.819  -6.806   6.005
  555    HB   VAL  71           HB       VAL  71   6.478  -8.105   5.321
  556   1HG1  VAL  71          1HG1      VAL  71   6.066  -5.959   4.255
  557   2HG1  VAL  71          2HG1      VAL  71   5.694  -5.210   5.825
  558   3HG1  VAL  71          3HG1      VAL  71   7.335  -5.798   5.468
  559   1HG2  VAL  71          1HG2      VAL  71   5.702  -6.913   7.980
  560   2HG2  VAL  71          2HG2      VAL  71   6.349  -8.531   7.643
  561   3HG2  VAL  71          3HG2      VAL  71   7.387  -7.119   7.445
  562    H    ASP  72           H        ASP  72   5.385  -9.511   4.293
  563    HA   ASP  72           HA       ASP  72   5.214  -8.681   1.666
  564   1HB   ASP  72          2HB       ASP  72   4.885 -11.567   2.580
  565   2HB   ASP  72          3HB       ASP  72   5.652 -10.973   1.115
  566    H    GLU  73           H        GLU  73   2.811 -10.637   3.498
  567    HA   GLU  73           HA       GLU  73   0.816 -10.712   1.435
  568   1HB   GLU  73          2HB       GLU  73   0.575 -10.865   4.462
  569   2HB   GLU  73          3HB       GLU  73  -0.747 -11.152   3.322
  570   1HG   GLU  73          2HG       GLU  73   0.467 -13.019   2.293
  571   2HG   GLU  73          3HG       GLU  73   1.783 -12.826   3.449
  572    H    ALA  74           H        ALA  74   1.529  -8.133   3.894
  573    HA   ALA  74           HA       ALA  74  -0.960  -6.716   3.342
  574   1HB   ALA  74          1HB       ALA  74  -0.018  -4.933   4.635
  575   2HB   ALA  74          2HB       ALA  74   0.520  -6.426   5.422
  576   3HB   ALA  74          3HB       ALA  74   1.638  -5.503   4.393
  577    H    VAL  75           H        VAL  75   2.362  -6.527   2.161
  578    HA   VAL  75           HA       VAL  75   2.017  -4.322   0.344
  579    HB   VAL  75           HB       VAL  75   4.088  -6.500   0.753
  580   1HG1  VAL  75          1HG1      VAL  75   4.315  -6.037  -1.544
  581   2HG1  VAL  75          2HG1      VAL  75   4.137  -4.277  -1.312
  582   3HG1  VAL  75          3HG1      VAL  75   5.590  -5.126  -0.730
  583   1HG2  VAL  75          1HG2      VAL  75   4.185  -3.483   1.186
  584   2HG2  VAL  75          2HG2      VAL  75   3.848  -4.656   2.465
  585   3HG2  VAL  75          3HG2      VAL  75   5.421  -4.668   1.651
  586    H    ASP  76           H        ASP  76   2.062  -7.895  -0.281
  587    HA   ASP  76           HA       ASP  76   1.227  -7.911  -2.969
  588   1HB   ASP  76          2HB       ASP  76   2.007  -9.885  -1.838
  589   2HB   ASP  76          3HB       ASP  76   0.745  -9.756  -0.614
  590    H    ALA  77           H        ALA  77  -0.839  -7.768   0.010
  591    HA   ALA  77           HA       ALA  77  -3.304  -7.711  -1.408
  592   1HB   ALA  77          1HB       ALA  77  -3.163  -8.174   0.993
  593   2HB   ALA  77          2HB       ALA  77  -2.620  -6.513   1.307
  594   3HB   ALA  77          3HB       ALA  77  -4.254  -6.805   0.681
  595    H    ALA  78           H        ALA  78  -1.164  -4.973  -0.382
  596    HA   ALA  78           HA       ALA  78  -2.790  -2.935  -1.571
  597   1HB   ALA  78          1HB       ALA  78  -1.089  -2.476   0.074
  598   2HB   ALA  78          2HB       ALA  78   0.201  -2.979  -1.046
  599   3HB   ALA  78          3HB       ALA  78  -0.785  -1.543  -1.401
  600    H    TYR  79           H        TYR  79  -0.121  -4.913  -3.037
  601    HA   TYR  79           HA       TYR  79  -0.255  -3.643  -5.595
  602   1HB   TYR  79          2HB       TYR  79   0.524  -6.458  -4.755
  603   2HB   TYR  79          3HB       TYR  79   0.595  -5.914  -6.415
  604    HD1  TYR  79           HD1      TYR  79   2.601  -6.385  -3.571
  605    HD2  TYR  79           HD2      TYR  79   1.839  -3.535  -6.743
  606    HE1  TYR  79           HE1      TYR  79   4.995  -5.640  -3.547
  607    HE2  TYR  79           HE2      TYR  79   4.177  -2.706  -6.574
  608    HH   TYR  79           HH       TYR  79   6.288  -3.019  -5.541
  609    H    ARG  80           H        ARG  80  -2.146  -6.498  -4.379
  610    HA   ARG  80           HA       ARG  80  -3.729  -6.735  -6.799
  611   1HB   ARG  80          2HB       ARG  80  -4.356  -7.548  -3.928
  612   2HB   ARG  80          3HB       ARG  80  -5.321  -8.000  -5.342
  613   1HG   ARG  80          2HG       ARG  80  -3.379  -9.196  -6.320
  614   2HG   ARG  80          3HG       ARG  80  -2.393  -8.730  -4.929
  615   1HD   ARG  80          2HD       ARG  80  -4.315  -9.870  -3.521
  616   2HD   ARG  80          3HD       ARG  80  -4.696 -10.684  -5.041
  617    HE   ARG  80           HE       ARG  80  -2.133 -10.795  -3.464
  618   1HH1  ARG  80          1HH2      ARG  80  -4.206 -12.518  -5.708
  619   2HH1  ARG  80          2HH2      ARG  80  -3.075 -13.844  -5.851
  620   1HH2  ARG  80          1HH1      ARG  80  -0.639 -12.247  -3.939
  621   2HH2  ARG  80          2HH1      ARG  80  -1.075 -13.734  -4.772
  622    H    SER  81           H        SER  81  -4.202  -4.827  -3.826
  623    HA   SER  81           HA       SER  81  -6.739  -3.714  -4.470
  624   1HB   SER  81          2HB       SER  81  -5.452  -3.646  -2.282
  625   2HB   SER  81          3HB       SER  81  -4.503  -2.310  -2.969
  626    HG   SER  81           HG       SER  81  -6.184  -1.428  -1.835
  627    H    LEU  82           H        LEU  82  -3.425  -2.679  -5.449
  628    HA   LEU  82           HA       LEU  82  -4.224  -0.367  -6.888
  629   1HB   LEU  82          2HB       LEU  82  -1.889  -1.212  -6.165
  630   2HB   LEU  82          3HB       LEU  82  -1.887  -2.200  -7.584
  631    HG   LEU  82           HG       LEU  82  -0.661   0.066  -7.577
  632   1HD1  LEU  82          1HD1      LEU  82  -0.857  -1.317  -9.559
  633   2HD1  LEU  82          2HD1      LEU  82  -2.466  -0.658  -9.902
  634   3HD1  LEU  82          3HD1      LEU  82  -1.040   0.395  -9.980
  635   1HD2  LEU  82          1HD2      LEU  82  -3.388   1.167  -8.349
  636   2HD2  LEU  82          2HD2      LEU  82  -2.583   1.460  -6.787
  637   3HD2  LEU  82          3HD2      LEU  82  -1.842   2.029  -8.292
  638    H    GLU  83           H        GLU  83  -3.902  -3.797  -8.031
  639    HA   GLU  83           HA       GLU  83  -4.725  -3.255 -10.733
  640   1HB   GLU  83          2HB       GLU  83  -5.159  -5.752  -9.040
  641   2HB   GLU  83          3HB       GLU  83  -5.367  -5.652 -10.788
  642   1HG   GLU  83          2HG       GLU  83  -2.992  -5.163 -11.099
  643   2HG   GLU  83          3HG       GLU  83  -2.723  -5.145  -9.358
  644    H    SER  84           H        SER  84  -6.656  -4.124  -7.814
  645    HA   SER  84           HA       SER  84  -9.220  -3.932  -9.024
  646   1HB   SER  84          2HB       SER  84  -8.356  -3.414  -6.158
  647   2HB   SER  84          3HB       SER  84 -10.036  -3.577  -6.696
  648    HG   SER  84           HG       SER  84  -8.867  -5.539  -5.901
  649    H    PHE  85           H        PHE  85  -7.150  -1.321  -7.658
  650    HA   PHE  85           HA       PHE  85  -9.128   0.736  -7.829
  651   1HB   PHE  85          2HB       PHE  85  -6.989   0.825  -6.575
  652   2HB   PHE  85          3HB       PHE  85  -6.101   0.923  -8.081
  653    HD1  PHE  85           HD1      PHE  85  -7.677   2.800  -5.490
  654    HD2  PHE  85           HD2      PHE  85  -6.673   2.931  -9.668
  655    HE1  PHE  85           HE1      PHE  85  -7.654   5.278  -5.396
  656    HE2  PHE  85           HE2      PHE  85  -6.652   5.420  -9.581
  657    HZ   PHE  85           HZ       PHE  85  -7.124   6.593  -7.436
  658    H    LEU  86           H        LEU  86  -6.697  -0.398 -10.292
  659    HA   LEU  86           HA       LEU  86  -7.692   1.544 -12.240
  660   1HB   LEU  86          2HB       LEU  86  -5.931  -0.919 -12.489
  661   2HB   LEU  86          3HB       LEU  86  -6.584  -0.100 -13.895
  662    HG   LEU  86           HG       LEU  86  -4.352   0.638 -13.581
  663   1HD1  LEU  86          1HD1      LEU  86  -6.017   2.344 -14.343
  664   2HD1  LEU  86          2HD1      LEU  86  -6.115   2.949 -12.671
  665   3HD1  LEU  86          3HD1      LEU  86  -4.585   3.028 -13.556
  666   1HD2  LEU  86          1HD2      LEU  86  -5.082   1.640 -10.804
  667   2HD2  LEU  86          2HD2      LEU  86  -4.102   0.211 -11.179
  668   3HD2  LEU  86          3HD2      LEU  86  -3.520   1.821 -11.628
  669    H    ASP  87           H        ASP  87  -8.535  -1.875 -11.521
  670    HA   ASP  87           HA       ASP  87 -10.465  -2.157 -13.618
  671   1HB   ASP  87          2HB       ASP  87  -9.595  -3.965 -12.112
  672   2HB   ASP  87          3HB       ASP  87 -10.547  -3.284 -10.792
  673    H    GLY  88           H        GLY  88 -10.637  -0.580 -10.402
  674   1HA   GLY  88          2HA       GLY  88 -13.430   0.105 -10.519
  675   2HA   GLY  88          3HA       GLY  88 -12.199   0.760  -9.427
  676    H    PHE  89           H        PHE  89 -11.042   1.271 -12.509
  677    HA   PHE  89           HA       PHE  89 -12.543   3.823 -12.929
  678   1HB   PHE  89          2HB       PHE  89  -9.549   3.428 -12.732
  679   2HB   PHE  89          3HB       PHE  89 -10.211   4.684 -13.764
  680    HD1  PHE  89           HD1      PHE  89 -12.062   6.235 -12.710
  681    HD2  PHE  89           HD2      PHE  89  -9.129   4.020 -10.455
  682    HE1  PHE  89           HE1      PHE  89 -12.451   7.715 -10.755
  683    HE2  PHE  89           HE2      PHE  89  -9.588   5.452  -8.478
  684    HZ   PHE  89           HZ       PHE  89 -11.221   7.313  -8.628
  685    H    ARG  90           H        ARG  90 -10.087   1.723 -14.581
  686    HA   ARG  90           HA       ARG  90 -10.831   2.762 -17.174
  687   1HB   ARG  90          2HB       ARG  90  -9.310   0.230 -16.424
  688   2HB   ARG  90          3HB       ARG  90  -9.427   0.914 -18.050
  689   1HG   ARG  90          2HG       ARG  90  -8.380   3.038 -17.196
  690   2HG   ARG  90          3HG       ARG  90  -8.117   2.246 -15.634
  691   1HD   ARG  90          2HD       ARG  90  -6.988   1.351 -18.321
  692   2HD   ARG  90          3HD       ARG  90  -6.101   2.207 -17.046
  693    HE   ARG  90           HE       ARG  90  -7.307  -0.232 -16.068
  694   1HH1  ARG  90          1HH2      ARG  90  -4.530   0.867 -17.897
  695   2HH1  ARG  90          2HH2      ARG  90  -3.554  -0.511 -17.463
  696   1HH2  ARG  90          1HH1      ARG  90  -6.024  -2.004 -15.546
  697   2HH2  ARG  90          2HH1      ARG  90  -4.397  -2.102 -16.142
  698    H    GLU  91           H        GLU  91 -11.682  -0.175 -15.454
  699    HA   GLU  91           HA       GLU  91 -12.852  -2.027 -15.989
  700   1HB   GLU  91          2HB       GLU  91 -15.218  -1.764 -16.283
  701   2HB   GLU  91          3HB       GLU  91 -14.591  -0.611 -15.114
  702   1HG   GLU  91          2HG       GLU  91 -14.667   1.168 -16.846
  703   2HG   GLU  91          3HG       GLU  91 -15.384   0.039 -17.989
  Start of MODEL   11
    1    H    MET   1           H1       MET   1 -10.748   1.842 -11.149
    2    HA   MET   1           HA       MET   1 -12.861   2.680 -11.130
    3   1HB   MET   1          2HB       MET   1 -13.002   2.730  -8.618
    4   2HB   MET   1          3HB       MET   1 -12.149   4.283  -8.635
    5   1HG   MET   1          2HG       MET   1 -13.976   5.306  -9.900
    6   2HG   MET   1          3HG       MET   1 -14.766   3.734 -10.098
    7   1HE   MET   1          1HE       MET   1 -16.261   6.351  -9.139
    8   2HE   MET   1          2HE       MET   1 -17.056   4.767  -9.312
    9   3HE   MET   1          3HE       MET   1 -17.252   5.702  -7.813
   10    H    SER   2           H        SER   2 -13.494   4.770 -12.084
   11    HA   SER   2           HA       SER   2 -11.495   6.059 -13.610
   12   1HB   SER   2          2HB       SER   2 -14.324   6.884 -12.912
   13   2HB   SER   2          3HB       SER   2 -13.269   7.801 -14.002
   14    HG   SER   2           HG       SER   2 -14.118   5.108 -14.349
   15    H    LEU   3           H        LEU   3  -9.809   6.985 -12.657
   16    HA   LEU   3           HA       LEU   3 -10.014   9.000 -10.540
   17   1HB   LEU   3          2HB       LEU   3  -7.768   7.897 -12.266
   18   2HB   LEU   3          3HB       LEU   3  -7.505   9.122 -11.051
   19    HG   LEU   3           HG       LEU   3  -9.014   6.918  -9.859
   20   1HD1  LEU   3          1HD1      LEU   3  -7.948   5.603 -11.617
   21   2HD1  LEU   3          2HD1      LEU   3  -6.339   6.200 -11.117
   22   3HD1  LEU   3          3HD1      LEU   3  -7.323   5.192 -10.034
   23   1HD2  LEU   3          1HD2      LEU   3  -6.242   8.055  -9.324
   24   2HD2  LEU   3          2HD2      LEU   3  -7.755   8.571  -8.564
   25   3HD2  LEU   3          3HD2      LEU   3  -7.131   6.937  -8.262
   26    H    ARG   4           H        ARG   4  -8.288  10.976 -11.224
   27    HA   ARG   4           HA       ARG   4  -9.808  12.472 -13.308
   28   1HB   ARG   4          2HB       ARG   4  -7.709  13.645 -11.480
   29   2HB   ARG   4          3HB       ARG   4  -9.094  14.435 -12.224
   30   1HG   ARG   4          2HG       ARG   4 -10.605  13.231 -10.622
   31   2HG   ARG   4          3HG       ARG   4  -9.177  12.484  -9.877
   32   1HD   ARG   4          2HD       ARG   4  -8.284  14.891  -9.569
   33   2HD   ARG   4          3HD       ARG   4  -9.935  15.411  -9.903
   34    HE   ARG   4           HE       ARG   4 -10.678  14.366  -7.891
   35   1HH1  ARG   4          1HH2      ARG   4  -7.143  13.764  -8.255
   36   2HH1  ARG   4          2HH2      ARG   4  -6.978  13.726  -6.491
   37   1HH2  ARG   4          1HH1      ARG   4 -10.297  13.861  -5.713
   38   2HH2  ARG   4          2HH1      ARG   4  -8.676  13.410  -5.215
   39    H    LYS   5           H        LYS   5  -7.740  14.332 -13.829
   40    HA   LYS   5           HA       LYS   5  -6.012  12.988 -15.776
   41   1HB   LYS   5          2HB       LYS   5  -6.052  15.822 -14.622
   42   2HB   LYS   5          3HB       LYS   5  -4.786  15.238 -15.687
   43   1HG   LYS   5          2HG       LYS   5  -6.262  16.415 -17.079
   44   2HG   LYS   5          3HG       LYS   5  -6.462  14.712 -17.445
   45   1HD   LYS   5          2HD       LYS   5  -8.615  15.847 -17.473
   46   2HD   LYS   5          3HD       LYS   5  -8.582  14.655 -16.190
   47   1HE   LYS   5          2HE       LYS   5  -9.671  16.651 -15.368
   48   2HE   LYS   5          3HE       LYS   5  -8.129  16.471 -14.524
   49   1HZ   LYS   5          1HZ       LYS   5  -7.186  18.109 -16.042
   50   2HZ   LYS   5          2HZ       LYS   5  -8.624  18.275 -16.820
   51   3HZ   LYS   5          3HZ       LYS   5  -8.478  18.745 -15.250
   52    H    LEU   6           H        LEU   6  -4.353  11.734 -15.153
   53    HA   LEU   6           HA       LEU   6  -3.659  11.541 -12.394
   54   1HB   LEU   6          2HB       LEU   6  -2.326  10.308 -14.835
   55   2HB   LEU   6          3HB       LEU   6  -1.979   9.877 -13.163
   56    HG   LEU   6           HG       LEU   6  -4.639   9.471 -14.593
   57   1HD1  LEU   6          1HD1      LEU   6  -2.802   7.947 -15.272
   58   2HD1  LEU   6          2HD1      LEU   6  -2.556   7.492 -13.570
   59   3HD1  LEU   6          3HD1      LEU   6  -4.077   7.092 -14.396
   60   1HD2  LEU   6          1HD2      LEU   6  -3.819   8.793 -11.728
   61   2HD2  LEU   6          2HD2      LEU   6  -5.141   9.872 -12.242
   62   3HD2  LEU   6          3HD2      LEU   6  -5.254   8.142 -12.548
   63    H    THR   7           H        THR   7  -2.639  12.993 -11.392
   64    HA   THR   7           HA       THR   7  -0.200  14.372 -12.341
   65    HB   THR   7           HB       THR   7  -1.376  16.510 -11.528
   66    HG1  THR   7           1HG      THR   7  -3.739  14.989 -12.032
   67   1HG2  THR   7          1HG2      THR   7  -1.009  16.109 -13.926
   68   2HG2  THR   7          2HG2      THR   7  -2.551  15.237 -14.028
   69   3HG2  THR   7          3HG2      THR   7  -2.532  16.964 -13.616
   70    H    GLU   8           H        GLU   8   0.397  15.947 -10.349
   71    HA   GLU   8           HA       GLU   8   1.318  14.381  -8.296
   72   1HB   GLU   8          2HB       GLU   8   0.584  17.331  -8.243
   73   2HB   GLU   8          3HB       GLU   8   1.605  16.533  -7.039
   74   1HG   GLU   8          2HG       GLU   8   3.304  16.018  -8.681
   75   2HG   GLU   8          3HG       GLU   8   2.276  16.542 -10.016
   76    H    GLY   9           H        GLY   9  -1.861  16.028  -8.280
   77   1HA   GLY   9          2HA       GLY   9  -2.626  15.402  -5.588
   78   2HA   GLY   9          3HA       GLY   9  -3.715  15.719  -6.955
   79    H    ASP  10           H        ASP  10  -3.772  13.782  -8.619
   80    HA   ASP  10           HA       ASP  10  -4.904  11.551  -7.340
   81   1HB   ASP  10          2HB       ASP  10  -3.822  11.970 -10.147
   82   2HB   ASP  10          3HB       ASP  10  -4.573  10.457  -9.646
   83    H    LEU  11           H        LEU  11  -1.506  11.968  -8.447
   84    HA   LEU  11           HA       LEU  11  -0.711   9.278  -7.735
   85   1HB   LEU  11          2HB       LEU  11   0.766  11.814  -8.391
   86   2HB   LEU  11          3HB       LEU  11   1.628  10.445  -7.723
   87    HG   LEU  11           HG       LEU  11   1.035   9.024  -9.557
   88   1HD1  LEU  11          1HD1      LEU  11  -1.207   9.763 -10.209
   89   2HD1  LEU  11          2HD1      LEU  11  -0.519  11.279 -10.842
   90   3HD1  LEU  11          3HD1      LEU  11  -0.104   9.727 -11.588
   91   1HD2  LEU  11          1HD2      LEU  11   1.975  11.724 -10.594
   92   2HD2  LEU  11          2HD2      LEU  11   2.992  10.502  -9.796
   93   3HD2  LEU  11          3HD2      LEU  11   2.254  10.145 -11.363
   94    H    ASP  12           H        ASP  12  -0.626  12.351  -5.785
   95    HA   ASP  12           HA       ASP  12   0.565  11.052  -3.493
   96   1HB   ASP  12          2HB       ASP  12   0.552  13.494  -3.849
   97   2HB   ASP  12          3HB       ASP  12  -1.209  13.519  -3.674
   98    H    GLU  13           H        GLU  13  -2.836  11.569  -4.527
   99    HA   GLU  13           HA       GLU  13  -4.036  10.333  -2.222
  100   1HB   GLU  13          2HB       GLU  13  -5.001  10.878  -5.046
  101   2HB   GLU  13          3HB       GLU  13  -6.026  10.117  -3.822
  102   1HG   GLU  13          2HG       GLU  13  -5.918  12.019  -2.366
  103   2HG   GLU  13          3HG       GLU  13  -4.632  12.776  -3.306
  104    H    ILE  14           H        ILE  14  -3.046   8.911  -5.411
  105    HA   ILE  14           HA       ILE  14  -3.808   6.218  -4.716
  106    HB   ILE  14           HB       ILE  14  -1.814   7.415  -6.664
  107   1HG1  ILE  14          2HG1      ILE  14  -4.311   5.706  -7.121
  108   2HG1  ILE  14          3HG1      ILE  14  -4.352   7.459  -7.055
  109   1HG2  ILE  14          1HG2      ILE  14  -0.787   5.275  -5.982
  110   2HG2  ILE  14          2HG2      ILE  14  -2.327   4.434  -6.282
  111   3HG2  ILE  14          3HG2      ILE  14  -1.403   5.159  -7.612
  112   1HD1  ILE  14          1HD1      ILE  14  -4.306   6.786  -9.371
  113   2HD1  ILE  14          2HD1      ILE  14  -2.756   7.559  -8.991
  114   3HD1  ILE  14          3HD1      ILE  14  -2.877   5.786  -9.134
  115    H    SER  15           H        SER  15  -0.674   7.987  -4.299
  116    HA   SER  15           HA       SER  15   0.712   5.840  -3.076
  117   1HB   SER  15          2HB       SER  15   1.088   8.811  -2.520
  118   2HB   SER  15          3HB       SER  15   2.274   7.513  -2.258
  119    HG   SER  15           HG       SER  15   1.224   8.504  -4.708
  120    H    SER  16           H        SER  16  -1.307   8.369  -1.613
  121    HA   SER  16           HA       SER  16  -1.181   7.524   1.104
  122   1HB   SER  16          2HB       SER  16  -3.470   8.902  -0.367
  123   2HB   SER  16          3HB       SER  16  -3.222   8.840   1.385
  124    HG   SER  16           HG       SER  16  -1.631  10.141  -0.592
  125    H    PHE  17           H        PHE  17  -3.519   6.598  -1.526
  126    HA   PHE  17           HA       PHE  17  -5.153   4.906   0.048
  127   1HB   PHE  17          2HB       PHE  17  -5.805   5.612  -2.185
  128   2HB   PHE  17          3HB       PHE  17  -4.408   4.811  -2.896
  129    HD1  PHE  17           HD1      PHE  17  -4.777   2.801  -3.990
  130    HD2  PHE  17           HD2      PHE  17  -7.303   3.861  -0.657
  131    HE1  PHE  17           HE1      PHE  17  -6.024   0.672  -4.255
  132    HE2  PHE  17           HE2      PHE  17  -8.548   1.732  -0.933
  133    HZ   PHE  17           HZ       PHE  17  -7.900   0.131  -2.725
  134    H    LEU  18           H        LEU  18  -2.106   4.068  -1.746
  135    HA   LEU  18           HA       LEU  18  -2.297   1.303  -0.851
  136   1HB   LEU  18          2HB       LEU  18   0.013   2.863  -2.056
  137   2HB   LEU  18          3HB       LEU  18   0.114   1.182  -1.558
  138    HG   LEU  18           HG       LEU  18  -0.243   0.969  -3.787
  139   1HD1  LEU  18          1HD1      LEU  18  -1.926  -0.406  -2.624
  140   2HD1  LEU  18          2HD1      LEU  18  -3.122   0.904  -2.809
  141   3HD1  LEU  18          3HD1      LEU  18  -2.468   0.106  -4.225
  142   1HD2  LEU  18          1HD2      LEU  18  -2.427   3.026  -3.896
  143   2HD2  LEU  18          2HD2      LEU  18  -0.704   3.364  -4.222
  144   3HD2  LEU  18          3HD2      LEU  18  -1.586   2.232  -5.238
  145    H    HIS  19           H        HIS  19  -0.487   4.131   0.532
  146    HA   HIS  19           HA       HIS  19   0.645   2.634   2.672
  147   1HB   HIS  19          2HB       HIS  19   1.366   4.871   2.519
  148   2HB   HIS  19          3HB       HIS  19  -0.278   5.498   2.380
  149    HD1  HIS  19           HD1      HIS  19  -1.013   6.683   4.538
  150    HD2  HIS  19           HD2      HIS  19   1.304   3.251   5.171
  151    HE1  HIS  19           HE1      HIS  19  -1.029   6.253   7.057
  152    H    ASN  20           H        ASN  20  -2.606   4.219   2.506
  153    HA   ASN  20           HA       ASN  20  -3.407   3.256   5.091
  154   1HB   ASN  20          2HB       ASN  20  -4.961   4.297   2.695
  155   2HB   ASN  20          3HB       ASN  20  -5.755   3.727   4.167
  156   1HD2  ASN  20          2HD2      ASN  20  -3.625   6.263   2.878
  157   2HD2  ASN  20          1HD2      ASN  20  -3.914   7.332   4.272
  158    H    THR  21           H        THR  21  -3.694   1.759   1.849
  159    HA   THR  21           HA       THR  21  -5.329  -0.437   2.615
  160    HB   THR  21           HB       THR  21  -3.134  -0.345   0.501
  161    HG1  THR  21           1HG      THR  21  -4.716   1.219   0.151
  162   1HG2  THR  21          1HG2      THR  21  -3.776  -2.673   0.858
  163   2HG2  THR  21          2HG2      THR  21  -5.501  -2.231   0.842
  164   3HG2  THR  21          3HG2      THR  21  -4.529  -2.082  -0.635
  165    H    ILE  22           H        ILE  22  -1.704  -0.208   2.649
  166    HA   ILE  22           HA       ILE  22  -1.397  -2.859   3.809
  167    HB   ILE  22           HB       ILE  22   0.494  -0.488   3.813
  168   1HG1  ILE  22          2HG1      ILE  22   0.271  -2.854   1.918
  169   2HG1  ILE  22          3HG1      ILE  22  -0.037  -1.157   1.536
  170   1HG2  ILE  22          1HG2      ILE  22   1.009  -2.387   5.534
  171   2HG2  ILE  22          2HG2      ILE  22   1.302  -3.412   4.110
  172   3HG2  ILE  22          3HG2      ILE  22   2.284  -1.988   4.402
  173   1HD1  ILE  22          1HD1      ILE  22   2.436  -0.774   2.307
  174   2HD1  ILE  22          2HD1      ILE  22   2.575  -2.538   2.049
  175   3HD1  ILE  22          3HD1      ILE  22   2.086  -1.467   0.697
  176    H    SER  23           H        SER  23  -1.370   0.481   5.248
  177    HA   SER  23           HA       SER  23  -0.908  -0.347   7.903
  178   1HB   SER  23          2HB       SER  23  -2.303   2.091   6.764
  179   2HB   SER  23          3HB       SER  23  -1.976   1.871   8.501
  180    HG   SER  23           HG       SER  23  -0.253   2.965   7.119
  181    H    ASP  24           H        ASP  24  -4.107   0.103   6.238
  182    HA   ASP  24           HA       ASP  24  -5.680  -0.752   8.484
  183   1HB   ASP  24          2HB       ASP  24  -6.181  -0.764   5.473
  184   2HB   ASP  24          3HB       ASP  24  -7.357  -1.344   6.630
  185    H    PHE  25           H        PHE  25  -4.140  -2.648   5.766
  186    HA   PHE  25           HA       PHE  25  -5.351  -5.127   6.553
  187   1HB   PHE  25          2HB       PHE  25  -4.126  -4.708   4.399
  188   2HB   PHE  25          3HB       PHE  25  -2.609  -4.727   5.285
  189    HD1  PHE  25           HD1      PHE  25  -2.005  -6.914   6.608
  190    HD2  PHE  25           HD2      PHE  25  -5.054  -6.712   3.562
  191    HE1  PHE  25           HE1      PHE  25  -1.989  -9.382   6.422
  192    HE2  PHE  25           HE2      PHE  25  -5.069  -9.187   3.425
  193    HZ   PHE  25           HZ       PHE  25  -3.569 -10.525   4.888
  194    H    ILE  26           H        ILE  26  -2.209  -3.591   7.586
  195    HA   ILE  26           HA       ILE  26  -1.489  -5.658   9.385
  196    HB   ILE  26           HB       ILE  26  -0.781  -2.711   9.148
  197   1HG1  ILE  26          2HG1      ILE  26   0.787  -5.286   8.596
  198   2HG1  ILE  26          3HG1      ILE  26  -0.017  -4.323   7.364
  199   1HG2  ILE  26          1HG2      ILE  26  -0.564  -3.302  11.499
  200   2HG2  ILE  26          2HG2      ILE  26   0.335  -4.781  11.078
  201   3HG2  ILE  26          3HG2      ILE  26   1.028  -3.167  10.786
  202   1HD1  ILE  26          1HD1      ILE  26   2.293  -3.762   7.284
  203   2HD1  ILE  26          2HD1      ILE  26   1.456  -2.369   8.003
  204   3HD1  ILE  26          3HD1      ILE  26   2.385  -3.493   9.027
  205    H    LEU  27           H        LEU  27  -3.242  -2.532  10.063
  206    HA   LEU  27           HA       LEU  27  -3.705  -3.148  12.806
  207   1HB   LEU  27          2HB       LEU  27  -4.805  -1.189  10.803
  208   2HB   LEU  27          3HB       LEU  27  -5.742  -1.460  12.256
  209    HG   LEU  27           HG       LEU  27  -3.940  -0.824  13.704
  210   1HD1  LEU  27          1HD1      LEU  27  -1.941  -1.556  12.474
  211   2HD1  LEU  27          2HD1      LEU  27  -2.234  -0.317  11.232
  212   3HD1  LEU  27          3HD1      LEU  27  -1.825   0.155  12.890
  213   1HD2  LEU  27          1HD2      LEU  27  -4.295   1.178  11.436
  214   2HD2  LEU  27          2HD2      LEU  27  -5.420   0.925  12.789
  215   3HD2  LEU  27          3HD2      LEU  27  -3.793   1.558  13.099
  216    H    LYS  28           H        LYS  28  -5.386  -4.459  10.040
  217    HA   LYS  28           HA       LYS  28  -7.475  -5.626  11.831
  218   1HB   LYS  28          2HB       LYS  28  -7.156  -5.539   8.813
  219   2HB   LYS  28          3HB       LYS  28  -8.431  -6.447   9.633
  220   1HG   LYS  28          2HG       LYS  28  -9.309  -4.434  10.692
  221   2HG   LYS  28          3HG       LYS  28  -8.037  -3.441   9.981
  222   1HD   LYS  28          2HD       LYS  28 -10.145  -4.973   8.392
  223   2HD   LYS  28          3HD       LYS  28 -10.199  -3.244   8.795
  224   1HE   LYS  28          2HE       LYS  28  -7.973  -2.973   7.658
  225   2HE   LYS  28          3HE       LYS  28  -8.083  -4.642   7.099
  226   1HZ   LYS  28          1HZ       LYS  28 -10.130  -4.018   5.928
  227   2HZ   LYS  28          2HZ       LYS  28  -9.974  -2.458   6.444
  228   3HZ   LYS  28          3HZ       LYS  28  -8.858  -3.096   5.428
  229    H    ARG  29           H        ARG  29  -4.379  -6.462  10.938
  230    HA   ARG  29           HA       ARG  29  -4.966  -9.394  11.184
  231   1HB   ARG  29          2HB       ARG  29  -4.145  -8.356   8.967
  232   2HB   ARG  29          3HB       ARG  29  -2.612  -8.085   9.792
  233   1HG   ARG  29          2HG       ARG  29  -2.270 -10.043   8.645
  234   2HG   ARG  29          3HG       ARG  29  -2.709 -10.665  10.243
  235   1HD   ARG  29          2HD       ARG  29  -4.971 -11.166   9.459
  236   2HD   ARG  29          3HD       ARG  29  -4.627 -10.390   7.907
  237    HE   ARG  29           HE       ARG  29  -2.916 -12.096   7.433
  238   1HH1  ARG  29          1HH2      ARG  29  -4.895 -13.016  10.170
  239   2HH1  ARG  29          2HH2      ARG  29  -4.526 -14.711   9.965
  240   1HH2  ARG  29          1HH1      ARG  29  -2.595 -14.222   7.101
  241   2HH2  ARG  29          2HH1      ARG  29  -3.218 -15.377   8.260
  242    H    VAL  30           H        VAL  30  -2.943  -6.772  12.439
  243    HA   VAL  30           HA       VAL  30  -2.190  -8.447  14.771
  244    HB   VAL  30           HB       VAL  30  -0.215  -6.621  13.317
  245   1HG1  VAL  30          1HG1      VAL  30   0.284  -6.756  15.697
  246   2HG1  VAL  30          2HG1      VAL  30   0.064  -8.521  15.692
  247   3HG1  VAL  30          3HG1      VAL  30   1.430  -7.792  14.841
  248   1HG2  VAL  30          1HG2      VAL  30  -0.295  -9.662  13.356
  249   2HG2  VAL  30          2HG2      VAL  30  -0.493  -8.616  11.928
  250   3HG2  VAL  30          3HG2      VAL  30   1.060  -8.677  12.755
  251    H    SER  31           H        SER  31  -1.960  -7.063  16.766
  252    HA   SER  31           HA       SER  31  -3.709  -4.701  16.463
  253   1HB   SER  31          2HB       SER  31  -4.074  -6.235  18.314
  254   2HB   SER  31          3HB       SER  31  -2.433  -5.956  18.912
  255    HG   SER  31           HG       SER  31  -4.112  -4.688  19.913
  256    H    ALA  32           H        ALA  32  -3.037  -2.643  16.318
  257    HA   ALA  32           HA       ALA  32  -0.482  -1.613  16.335
  258   1HB   ALA  32          1HB       ALA  32  -2.462  -0.409  15.566
  259   2HB   ALA  32          2HB       ALA  32  -3.063  -0.284  17.238
  260   3HB   ALA  32          3HB       ALA  32  -1.570   0.551  16.756
  261    H    LYS  33           H        LYS  33  -2.303  -2.655  19.166
  262    HA   LYS  33           HA       LYS  33  -0.687  -1.186  21.114
  263   1HB   LYS  33          2HB       LYS  33  -2.481  -3.626  21.485
  264   2HB   LYS  33          3HB       LYS  33  -1.791  -2.624  22.770
  265   1HG   LYS  33          2HG       LYS  33  -2.996  -0.633  21.812
  266   2HG   LYS  33          3HG       LYS  33  -3.804  -1.717  20.663
  267   1HD   LYS  33          2HD       LYS  33  -4.730  -3.022  22.584
  268   2HD   LYS  33          3HD       LYS  33  -4.013  -1.856  23.705
  269   1HE   LYS  33          2HE       LYS  33  -6.068  -1.236  21.531
  270   2HE   LYS  33          3HE       LYS  33  -6.429  -1.426  23.251
  271   1HZ   LYS  33          1HZ       LYS  33  -5.007   0.482  23.699
  272   2HZ   LYS  33          2HZ       LYS  33  -4.667   0.655  22.102
  273   3HZ   LYS  33          3HZ       LYS  33  -6.199   0.903  22.645
  274    H    GLU  34           H        GLU  34  -0.028  -3.944  19.187
  275    HA   GLU  34           HA       GLU  34   2.174  -4.899  20.963
  276   1HB   GLU  34          2HB       GLU  34   1.329  -5.829  18.194
  277   2HB   GLU  34          3HB       GLU  34   2.399  -6.661  19.311
  278   1HG   GLU  34          2HG       GLU  34   0.570  -7.263  20.755
  279   2HG   GLU  34          3HG       GLU  34  -0.559  -6.205  19.903
  280    H    ILE  35           H        ILE  35   1.589  -2.649  18.430
  281    HA   ILE  35           HA       ILE  35   4.146  -3.095  17.019
  282    HB   ILE  35           HB       ILE  35   1.619  -1.529  16.463
  283   1HG1  ILE  35          2HG1      ILE  35   2.983  -3.876  15.069
  284   2HG1  ILE  35          3HG1      ILE  35   1.606  -4.020  16.147
  285   1HG2  ILE  35          1HG2      ILE  35   3.464  -0.175  15.585
  286   2HG2  ILE  35          2HG2      ILE  35   4.079  -1.592  14.692
  287   3HG2  ILE  35          3HG2      ILE  35   2.495  -0.866  14.303
  288   1HD1  ILE  35          1HD1      ILE  35   0.235  -2.666  14.526
  289   2HD1  ILE  35          2HD1      ILE  35   1.608  -2.736  13.395
  290   3HD1  ILE  35          3HD1      ILE  35   0.807  -4.225  13.911
  291    H    VAL  36           H        VAL  36   5.866  -1.921  17.283
  292    HA   VAL  36           HA       VAL  36   5.992   0.444  19.043
  293    HB   VAL  36           HB       VAL  36   8.031  -1.045  17.324
  294   1HG1  VAL  36          1HG1      VAL  36   8.700   1.268  17.282
  295   2HG1  VAL  36          2HG1      VAL  36   8.458   1.424  19.041
  296   3HG1  VAL  36          3HG1      VAL  36   9.754   0.388  18.393
  297   1HG2  VAL  36          1HG2      VAL  36   7.778  -0.732  20.345
  298   2HG2  VAL  36          2HG2      VAL  36   7.336  -2.180  19.419
  299   3HG2  VAL  36          3HG2      VAL  36   9.023  -1.661  19.477
  300    H    ASP  37           H        ASP  37   6.506  -0.334  15.556
  301    HA   ASP  37           HA       ASP  37   4.896   1.894  14.787
  302   1HB   ASP  37          2HB       ASP  37   7.432   2.782  15.289
  303   2HB   ASP  37          3HB       ASP  37   7.627   2.299  13.612
  304    H    ILE  38           H        ILE  38   5.072   2.277  12.324
  305    HA   ILE  38           HA       ILE  38   5.847  -0.129  10.774
  306    HB   ILE  38           HB       ILE  38   3.772   0.202   9.329
  307   1HG1  ILE  38          2HG1      ILE  38   2.599   1.452  11.857
  308   2HG1  ILE  38          3HG1      ILE  38   2.938   2.312  10.354
  309   1HG2  ILE  38          1HG2      ILE  38   4.224  -1.770  10.666
  310   2HG2  ILE  38          2HG2      ILE  38   3.454  -1.028  12.086
  311   3HG2  ILE  38          3HG2      ILE  38   2.503  -1.427  10.635
  312   1HD1  ILE  38          1HD1      ILE  38   1.340   0.746   9.171
  313   2HD1  ILE  38          2HD1      ILE  38   0.868   0.126  10.772
  314   3HD1  ILE  38          3HD1      ILE  38   0.604   1.827  10.371
  315    H    ASP  39           H        ASP  39   6.837   0.334   8.937
  316    HA   ASP  39           HA       ASP  39   7.102   3.243   8.201
  317   1HB   ASP  39          2HB       ASP  39   9.150   1.024   8.416
  318   2HB   ASP  39          3HB       ASP  39   9.406   2.428   7.378
  319    H    ILE  40           H        ILE  40   5.910   3.540   6.419
  320    HA   ILE  40           HA       ILE  40   6.077   1.529   4.220
  321    HB   ILE  40           HB       ILE  40   3.599   2.811   5.390
  322   1HG1  ILE  40          2HG1      ILE  40   4.189  -0.109   4.782
  323   2HG1  ILE  40          3HG1      ILE  40   4.627   0.597   6.337
  324   1HG2  ILE  40          1HG2      ILE  40   3.369   2.963   2.954
  325   2HG2  ILE  40          2HG2      ILE  40   3.980   1.304   2.749
  326   3HG2  ILE  40          3HG2      ILE  40   2.401   1.595   3.491
  327   1HD1  ILE  40          1HD1      ILE  40   2.290   1.133   6.803
  328   2HD1  ILE  40          2HD1      ILE  40   1.820   0.408   5.244
  329   3HD1  ILE  40          3HD1      ILE  40   2.552  -0.602   6.499
  330    H    THR  41           H        THR  41   6.833   2.324   2.483
  331    HA   THR  41           HA       THR  41   6.450   5.210   1.780
  332    HB   THR  41           HB       THR  41   8.914   3.483   1.333
  333    HG1  THR  41           1HG      THR  41   8.439   4.463   3.440
  334   1HG2  THR  41          1HG2      THR  41   8.616   5.028  -0.547
  335   2HG2  THR  41          2HG2      THR  41   8.345   6.386   0.572
  336   3HG2  THR  41          3HG2      THR  41   9.933   5.591   0.492
  337    H    VAL  42           H        VAL  42   5.517   5.528  -0.141
  338    HA   VAL  42           HA       VAL  42   5.390   3.301  -2.127
  339    HB   VAL  42           HB       VAL  42   3.297   5.450  -1.607
  340   1HG1  VAL  42          1HG1      VAL  42   3.291   4.917  -3.960
  341   2HG1  VAL  42          2HG1      VAL  42   3.456   3.180  -3.637
  342   3HG1  VAL  42          3HG1      VAL  42   1.952   4.020  -3.234
  343   1HG2  VAL  42          1HG2      VAL  42   3.229   2.451  -1.053
  344   2HG2  VAL  42          2HG2      VAL  42   3.238   3.744   0.163
  345   3HG2  VAL  42          3HG2      VAL  42   1.853   3.571  -0.901
  346    H    LEU  43           H        LEU  43   6.065   3.777  -4.145
  347    HA   LEU  43           HA       LEU  43   6.783   6.609  -4.836
  348   1HB   LEU  43          2HB       LEU  43   8.272   4.004  -5.223
  349   2HB   LEU  43          3HB       LEU  43   8.398   5.224  -6.462
  350    HG   LEU  43           HG       LEU  43  10.297   5.312  -5.029
  351   1HD1  LEU  43          1HD1      LEU  43   9.476   7.472  -5.937
  352   2HD1  LEU  43          2HD1      LEU  43   8.603   7.767  -4.418
  353   3HD1  LEU  43          3HD1      LEU  43  10.372   7.649  -4.420
  354   1HD2  LEU  43          1HD2      LEU  43   8.510   6.021  -2.689
  355   2HD2  LEU  43          2HD2      LEU  43   9.231   4.414  -2.957
  356   3HD2  LEU  43          3HD2      LEU  43  10.271   5.827  -2.687
  357    H    VAL  44           H        VAL  44   6.070   7.302  -6.824
  358    HA   VAL  44           HA       VAL  44   4.930   5.425  -8.701
  359    HB   VAL  44           HB       VAL  44   2.974   5.804  -7.330
  360   1HG1  VAL  44          1HG1      VAL  44   3.447   8.006  -6.367
  361   2HG1  VAL  44          2HG1      VAL  44   3.212   8.764  -7.955
  362   3HG1  VAL  44          3HG1      VAL  44   1.857   7.956  -7.129
  363   1HG2  VAL  44          1HG2      VAL  44   2.713   7.250  -9.995
  364   2HG2  VAL  44          2HG2      VAL  44   2.714   5.488  -9.768
  365   3HG2  VAL  44          3HG2      VAL  44   1.415   6.470  -9.068
  366    H    GLU  45           H        GLU  45   5.400   5.991 -10.711
  367    HA   GLU  45           HA       GLU  45   6.248   8.780 -11.335
  368   1HB   GLU  45          2HB       GLU  45   7.939   6.268 -11.749
  369   2HB   GLU  45          3HB       GLU  45   8.257   7.834 -12.472
  370   1HG   GLU  45          2HG       GLU  45   9.695   7.938 -10.728
  371   2HG   GLU  45          3HG       GLU  45   8.307   8.766 -10.039
  372    H    TYR  46           H        TYR  46   6.500   9.183 -13.632
  373    HA   TYR  46           HA       TYR  46   5.402   7.132 -15.460
  374   1HB   TYR  46          2HB       TYR  46   3.634   8.860 -14.717
  375   2HB   TYR  46          3HB       TYR  46   4.528  10.026 -15.675
  376    HD1  TYR  46           HD1      TYR  46   5.141   8.977 -18.217
  377    HD2  TYR  46           HD2      TYR  46   1.798   7.930 -15.699
  378    HE1  TYR  46           HE1      TYR  46   3.910   8.102 -20.199
  379    HE2  TYR  46           HE2      TYR  46   0.557   7.110 -17.677
  380    HH   TYR  46           HH       TYR  46   0.618   6.756 -19.953
  381    H    THR  47           H        THR  47   7.125   6.730 -16.717
  382    HA   THR  47           HA       THR  47   8.529   9.009 -18.010
  383    HB   THR  47           HB       THR  47  10.034   6.746 -16.663
  384    HG1  THR  47           1HG      THR  47   9.146   9.096 -15.872
  385   1HG2  THR  47          1HG2      THR  47  11.155   7.384 -18.780
  386   2HG2  THR  47          2HG2      THR  47  11.018   9.106 -18.345
  387   3HG2  THR  47          3HG2      THR  47  12.048   8.018 -17.389
  388    H    ASP  48           H        ASP  48   7.273   8.624 -19.766
  389    HA   ASP  48           HA       ASP  48   6.466   7.764 -21.648
  390   1HB   ASP  48          2HB       ASP  48   8.977   7.281 -22.021
  391   2HB   ASP  48          3HB       ASP  48   8.558   5.591 -21.723
  392    H    GLU  49           H        GLU  49   7.161   5.286 -19.225
  393    HA   GLU  49           HA       GLU  49   4.375   4.249 -19.555
  394   1HB   GLU  49          2HB       GLU  49   6.862   2.761 -18.599
  395   2HB   GLU  49          3HB       GLU  49   5.208   2.145 -18.529
  396   1HG   GLU  49          2HG       GLU  49   5.072   2.391 -21.040
  397   2HG   GLU  49          3HG       GLU  49   6.800   2.775 -21.046
  398    H    LEU  50           H        LEU  50   3.356   3.616 -17.562
  399    HA   LEU  50           HA       LEU  50   3.947   5.387 -15.280
  400   1HB   LEU  50          2HB       LEU  50   1.670   4.969 -16.414
  401   2HB   LEU  50          3HB       LEU  50   1.672   3.390 -15.649
  402    HG   LEU  50           HG       LEU  50   1.735   6.087 -14.210
  403   1HD1  LEU  50          1HD1      LEU  50  -0.376   5.638 -15.420
  404   2HD1  LEU  50          2HD1      LEU  50  -0.523   4.075 -14.584
  405   3HD1  LEU  50          3HD1      LEU  50  -0.612   5.596 -13.668
  406   1HD2  LEU  50          1HD2      LEU  50   1.534   3.255 -13.109
  407   2HD2  LEU  50          2HD2      LEU  50   2.673   4.550 -12.649
  408   3HD2  LEU  50          3HD2      LEU  50   0.986   4.687 -12.208
  409    H    LYS  51           H        LYS  51   4.967   4.668 -13.463
  410    HA   LYS  51           HA       LYS  51   5.171   1.726 -12.930
  411   1HB   LYS  51          2HB       LYS  51   7.278   2.638 -13.914
  412   2HB   LYS  51          3HB       LYS  51   7.352   3.819 -12.597
  413   1HG   LYS  51          2HG       LYS  51   7.498   1.918 -10.955
  414   2HG   LYS  51          3HG       LYS  51   7.425   0.777 -12.298
  415   1HD   LYS  51          2HD       LYS  51   9.732   0.995 -11.622
  416   2HD   LYS  51          3HD       LYS  51   9.539   1.753 -13.206
  417   1HE   LYS  51          2HE       LYS  51  10.898   3.264 -11.971
  418   2HE   LYS  51          3HE       LYS  51   9.288   3.989 -11.979
  419   1HZ   LYS  51          1HZ       LYS  51   9.189   2.535  -9.721
  420   2HZ   LYS  51          2HZ       LYS  51  10.767   2.907  -9.739
  421   3HZ   LYS  51          3HZ       LYS  51   9.647   4.128  -9.784
  422    H    VAL  52           H        VAL  52   4.930   1.128 -10.811
  423    HA   VAL  52           HA       VAL  52   4.815   3.166  -8.702
  424    HB   VAL  52           HB       VAL  52   2.511   2.958  -9.457
  425   1HG1  VAL  52          1HG1      VAL  52   2.605   0.600 -10.322
  426   2HG1  VAL  52          2HG1      VAL  52   2.579   0.026  -8.641
  427   3HG1  VAL  52          3HG1      VAL  52   1.211   0.945  -9.310
  428   1HG2  VAL  52          1HG2      VAL  52   2.844   1.632  -6.737
  429   2HG2  VAL  52          2HG2      VAL  52   3.012   3.372  -7.056
  430   3HG2  VAL  52          3HG2      VAL  52   1.461   2.581  -7.322
  431    H    ASP  53           H        ASP  53   5.549   2.476  -6.764
  432    HA   ASP  53           HA       ASP  53   6.441  -0.352  -6.449
  433   1HB   ASP  53          2HB       ASP  53   8.151   2.156  -6.417
  434   2HB   ASP  53          3HB       ASP  53   8.647   0.659  -5.629
  435    H    ILE  54           H        ILE  54   6.796  -0.999  -4.340
  436    HA   ILE  54           HA       ILE  54   5.539   0.664  -2.196
  437    HB   ILE  54           HB       ILE  54   5.080  -2.290  -2.779
  438   1HG1  ILE  54          2HG1      ILE  54   3.884  -0.850  -4.476
  439   2HG1  ILE  54          3HG1      ILE  54   2.901  -1.943  -3.527
  440   1HG2  ILE  54          1HG2      ILE  54   4.914  -1.852  -0.415
  441   2HG2  ILE  54          2HG2      ILE  54   3.883  -0.438  -0.683
  442   3HG2  ILE  54          3HG2      ILE  54   3.277  -2.069  -1.067
  443   1HD1  ILE  54          1HD1      ILE  54   2.034  -0.156  -2.154
  444   2HD1  ILE  54          2HD1      ILE  54   3.163   1.012  -2.898
  445   3HD1  ILE  54          3HD1      ILE  54   1.866   0.286  -3.866
  446    H    SER  55           H        SER  55   6.784   0.717  -0.380
  447    HA   SER  55           HA       SER  55   8.433  -1.682   0.325
  448   1HB   SER  55          2HB       SER  55   9.933   0.074  -0.485
  449   2HB   SER  55          3HB       SER  55   9.209   1.249   0.630
  450    HG   SER  55           HG       SER  55  10.082   0.163   2.335
  451    H    ALA  56           H        ALA  56   7.730  -2.512   2.246
  452    HA   ALA  56           HA       ALA  56   6.548  -0.683   4.269
  453   1HB   ALA  56          1HB       ALA  56   4.709  -1.765   3.046
  454   2HB   ALA  56          2HB       ALA  56   5.405  -3.365   3.407
  455   3HB   ALA  56          3HB       ALA  56   4.793  -2.339   4.723
  456    H    GLU  57           H        GLU  57   7.101  -1.056   6.328
  457    HA   GLU  57           HA       GLU  57   8.436  -3.595   7.114
  458   1HB   GLU  57          2HB       GLU  57   9.531  -0.866   7.006
  459   2HB   GLU  57          3HB       GLU  57   9.563  -1.480   8.653
  460   1HG   GLU  57          2HG       GLU  57  10.686  -3.001   6.269
  461   2HG   GLU  57          3HG       GLU  57  11.602  -1.887   7.296
  462    H    LEU  58           H        LEU  58   8.303  -4.136   9.279
  463    HA   LEU  58           HA       LEU  58   6.080  -2.868  10.830
  464   1HB   LEU  58          2HB       LEU  58   5.092  -4.723   9.616
  465   2HB   LEU  58          3HB       LEU  58   6.404  -5.796  10.113
  466    HG   LEU  58           HG       LEU  58   5.646  -5.688  12.463
  467   1HD1  LEU  58          1HD1      LEU  58   4.559  -3.490  12.546
  468   2HD1  LEU  58          2HD1      LEU  58   3.341  -4.028  11.362
  469   3HD1  LEU  58          3HD1      LEU  58   3.404  -4.755  12.977
  470   1HD2  LEU  58          1HD2      LEU  58   3.437  -6.442  10.508
  471   2HD2  LEU  58          2HD2      LEU  58   4.807  -7.470  11.000
  472   3HD2  LEU  58          3HD2      LEU  58   3.586  -6.998  12.189
  473    H    TYR  59           H        TYR  59   6.879  -2.220  12.753
  474    HA   TYR  59           HA       TYR  59   8.943  -3.962  14.028
  475   1HB   TYR  59          2HB       TYR  59   8.546  -0.971  14.233
  476   2HB   TYR  59          3HB       TYR  59   9.735  -1.920  15.126
  477    HD1  TYR  59           HD1      TYR  59  10.871  -3.787  13.190
  478    HD2  TYR  59           HD2      TYR  59   9.661   0.316  12.518
  479    HE1  TYR  59           HE1      TYR  59  12.356  -3.660  11.247
  480    HE2  TYR  59           HE2      TYR  59  11.234   0.451  10.626
  481    HH   TYR  59           HH       TYR  59  12.670  -2.498   9.310
  482    H    LEU  60           H        LEU  60   8.009  -5.275  15.244
  483    HA   LEU  60           HA       LEU  60   5.753  -4.608  17.019
  484   1HB   LEU  60          2HB       LEU  60   7.170  -7.169  16.181
  485   2HB   LEU  60          3HB       LEU  60   6.041  -7.152  17.531
  486    HG   LEU  60           HG       LEU  60   5.243  -6.143  14.775
  487   1HD1  LEU  60          1HD1      LEU  60   5.926  -8.501  14.568
  488   2HD1  LEU  60          2HD1      LEU  60   4.876  -8.936  15.937
  489   3HD1  LEU  60          3HD1      LEU  60   4.168  -8.327  14.420
  490   1HD2  LEU  60          1HD2      LEU  60   3.549  -7.211  17.078
  491   2HD2  LEU  60          2HD2      LEU  60   3.846  -5.492  16.798
  492   3HD2  LEU  60          3HD2      LEU  60   2.990  -6.426  15.580
  493    H    ASP  61           H        ASP  61   5.776  -5.064  19.242
  494    HA   ASP  61           HA       ASP  61   8.216  -4.310  20.627
  495   1HB   ASP  61          2HB       ASP  61   5.947  -3.801  21.500
  496   2HB   ASP  61          3HB       ASP  61   5.652  -5.533  21.715
  497    H    GLU  62           H        GLU  62   9.418  -5.581  22.038
  498    HA   GLU  62           HA       GLU  62  10.360  -8.116  20.968
  499   1HB   GLU  62          2HB       GLU  62  11.013  -6.495  23.463
  500   2HB   GLU  62          3HB       GLU  62  11.914  -7.930  22.992
  501   1HG   GLU  62          2HG       GLU  62  11.683  -5.555  21.109
  502   2HG   GLU  62          3HG       GLU  62  12.874  -5.626  22.398
  503    H    LEU  63           H        LEU  63   7.597  -7.967  22.142
  504    HA   LEU  63           HA       LEU  63   7.587 -10.307  23.963
  505   1HB   LEU  63          2HB       LEU  63   6.167  -7.651  24.408
  506   2HB   LEU  63          3HB       LEU  63   5.886  -9.097  25.368
  507    HG   LEU  63           HG       LEU  63   8.546  -7.601  25.243
  508   1HD1  LEU  63          1HD1      LEU  63   6.782  -6.323  26.372
  509   2HD1  LEU  63          2HD1      LEU  63   6.419  -7.716  27.419
  510   3HD1  LEU  63          3HD1      LEU  63   7.998  -6.895  27.525
  511   1HD2  LEU  63          1HD2      LEU  63   7.624  -9.919  27.012
  512   2HD2  LEU  63          2HD2      LEU  63   8.885  -9.994  25.761
  513   3HD2  LEU  63          3HD2      LEU  63   9.143  -9.009  27.199
  514    H    SER  64           H        SER  64   6.598  -9.223  21.027
  515    HA   SER  64           HA       SER  64   4.250 -11.044  21.134
  516   1HB   SER  64          2HB       SER  64   3.355  -8.744  20.871
  517   2HB   SER  64          3HB       SER  64   4.309  -8.547  19.380
  518    HG   SER  64           HG       SER  64   1.982  -9.451  19.055
  519    H    ASP  65           H        ASP  65   3.772 -12.054  19.115
  520    HA   ASP  65           HA       ASP  65   6.043 -12.608  17.304
  521   1HB   ASP  65          2HB       ASP  65   4.747 -14.670  19.139
  522   2HB   ASP  65          3HB       ASP  65   5.650 -15.084  17.682
  523    H    ALA  66           H        ALA  66   4.797 -11.720  15.706
  524    HA   ALA  66           HA       ALA  66   2.163 -12.808  14.994
  525   1HB   ALA  66          1HB       ALA  66   2.720 -10.389  14.793
  526   2HB   ALA  66          2HB       ALA  66   3.955 -10.795  13.571
  527   3HB   ALA  66          3HB       ALA  66   2.235 -11.112  13.261
  528    H    ASP  67           H        ASP  67   1.933 -13.355  12.481
  529    HA   ASP  67           HA       ASP  67   3.432 -15.750  12.221
  530   1HB   ASP  67          2HB       ASP  67   1.434 -14.441  10.327
  531   2HB   ASP  67          3HB       ASP  67   1.999 -16.101  10.212
  532    HA   PRO  68           HA       PRO  68   6.725 -14.498   9.544
  533   1HB   PRO  68          2HB       PRO  68   7.629 -16.884   8.585
  534   2HB   PRO  68          3HB       PRO  68   7.672 -16.459  10.318
  535   1HG   PRO  68          2HG       PRO  68   5.528 -18.059   8.875
  536   2HG   PRO  68          3HG       PRO  68   6.439 -18.518  10.353
  537   1HD   PRO  68          2HD       PRO  68   3.989 -17.365  10.507
  538   2HD   PRO  68          3HD       PRO  68   5.279 -16.942  11.672
  539    H    GLY  69           H        GLY  69   4.818 -13.506   8.372
  540   1HA   GLY  69          2HA       GLY  69   5.161 -13.343   5.593
  541   2HA   GLY  69          3HA       GLY  69   3.884 -14.540   5.844
  542    H    ILE  70           H        ILE  70   3.281 -12.667   8.447
  543    HA   ILE  70           HA       ILE  70   0.947 -11.626   7.426
  544    HB   ILE  70           HB       ILE  70   1.913 -12.148   9.813
  545   1HG1  ILE  70          2HG1      ILE  70  -0.096  -9.928   9.861
  546   2HG1  ILE  70          3HG1      ILE  70  -0.484 -11.453   9.043
  547   1HG2  ILE  70          1HG2      ILE  70   3.562 -10.301   9.883
  548   2HG2  ILE  70          2HG2      ILE  70   2.226  -9.116   9.849
  549   3HG2  ILE  70          3HG2      ILE  70   2.406 -10.216  11.210
  550   1HD1  ILE  70          1HD1      ILE  70  -0.103 -12.762  10.994
  551   2HD1  ILE  70          2HD1      ILE  70   0.548 -11.386  11.897
  552   3HD1  ILE  70          3HD1      ILE  70  -1.161 -11.437  11.483
  553    H    VAL  71           H        VAL  71   4.046 -10.065   7.357
  554    HA   VAL  71           HA       VAL  71   3.109  -7.390   6.614
  555    HB   VAL  71           HB       VAL  71   5.781  -8.783   6.304
  556   1HG1  VAL  71          1HG1      VAL  71   5.716  -6.948   4.735
  557   2HG1  VAL  71          2HG1      VAL  71   5.088  -5.836   5.979
  558   3HG1  VAL  71          3HG1      VAL  71   6.744  -6.475   6.085
  559   1HG2  VAL  71          1HG2      VAL  71   4.824  -6.816   8.413
  560   2HG2  VAL  71          2HG2      VAL  71   5.202  -8.533   8.677
  561   3HG2  VAL  71          3HG2      VAL  71   6.496  -7.407   8.259
  562    H    ASP  72           H        ASP  72   4.720 -10.103   4.914
  563    HA   ASP  72           HA       ASP  72   4.595  -9.164   2.277
  564   1HB   ASP  72          2HB       ASP  72   5.881 -11.133   3.151
  565   2HB   ASP  72          3HB       ASP  72   4.376 -12.051   3.219
  566    H    GLU  73           H        GLU  73   2.082 -10.936   4.145
  567    HA   GLU  73           HA       GLU  73   0.101 -11.072   2.085
  568   1HB   GLU  73          2HB       GLU  73  -0.188 -10.587   5.077
  569   2HB   GLU  73          3HB       GLU  73  -1.527 -10.927   3.981
  570   1HG   GLU  73          2HG       GLU  73  -0.681 -13.167   3.537
  571   2HG   GLU  73          3HG       GLU  73   0.664 -12.900   4.655
  572    H    ALA  74           H        ALA  74   1.061  -8.303   4.217
  573    HA   ALA  74           HA       ALA  74  -1.293  -6.717   3.503
  574   1HB   ALA  74          1HB       ALA  74   0.135  -6.435   5.626
  575   2HB   ALA  74          2HB       ALA  74   1.362  -5.677   4.580
  576   3HB   ALA  74          3HB       ALA  74  -0.242  -4.953   4.719
  577    H    VAL  75           H        VAL  75   2.118  -6.942   2.419
  578    HA   VAL  75           HA       VAL  75   1.831  -4.790   0.510
  579    HB   VAL  75           HB       VAL  75   3.954  -6.895   0.136
  580   1HG1  VAL  75          1HG1      VAL  75   3.596  -4.763  -1.301
  581   2HG1  VAL  75          2HG1      VAL  75   4.056  -3.861   0.148
  582   3HG1  VAL  75          3HG1      VAL  75   5.219  -4.972  -0.607
  583   1HG2  VAL  75          1HG2      VAL  75   3.822  -4.905   2.443
  584   2HG2  VAL  75          2HG2      VAL  75   4.283  -6.627   2.461
  585   3HG2  VAL  75          3HG2      VAL  75   5.376  -5.456   1.758
  586    H    ASP  76           H        ASP  76   1.720  -8.398   0.135
  587    HA   ASP  76           HA       ASP  76   1.016  -8.537  -2.593
  588   1HB   ASP  76          2HB       ASP  76   1.641 -10.443  -1.172
  589   2HB   ASP  76          3HB       ASP  76   0.132 -10.268  -0.261
  590    H    ALA  77           H        ALA  77  -1.163  -8.067   0.270
  591    HA   ALA  77           HA       ALA  77  -3.560  -7.925  -1.268
  592   1HB   ALA  77          1HB       ALA  77  -3.553  -8.226   1.167
  593   2HB   ALA  77          2HB       ALA  77  -2.861  -6.605   1.393
  594   3HB   ALA  77          3HB       ALA  77  -4.495  -6.789   0.723
  595    H    ALA  78           H        ALA  78  -1.234  -5.292  -0.322
  596    HA   ALA  78           HA       ALA  78  -2.707  -3.233  -1.673
  597   1HB   ALA  78          1HB       ALA  78  -1.007  -2.747   0.001
  598   2HB   ALA  78          2HB       ALA  78   0.278  -3.432  -1.021
  599   3HB   ALA  78          3HB       ALA  78  -0.569  -1.964  -1.526
  600    H    TYR  79           H        TYR  79   0.016  -5.313  -2.900
  601    HA   TYR  79           HA       TYR  79   0.110  -4.129  -5.489
  602   1HB   TYR  79          2HB       TYR  79   0.645  -6.999  -4.595
  603   2HB   TYR  79          3HB       TYR  79   1.038  -6.379  -6.182
  604    HD1  TYR  79           HD1      TYR  79   2.526  -7.287  -3.207
  605    HD2  TYR  79           HD2      TYR  79   2.474  -4.008  -6.025
  606    HE1  TYR  79           HE1      TYR  79   4.886  -6.768  -2.661
  607    HE2  TYR  79           HE2      TYR  79   4.807  -3.436  -5.395
  608    HH   TYR  79           HH       TYR  79   6.632  -3.990  -4.044
  609    H    ARG  80           H        ARG  80  -1.826  -6.957  -4.339
  610    HA   ARG  80           HA       ARG  80  -3.119  -7.386  -6.899
  611   1HB   ARG  80          2HB       ARG  80  -3.709  -8.357  -4.082
  612   2HB   ARG  80          3HB       ARG  80  -4.623  -8.878  -5.505
  613   1HG   ARG  80          2HG       ARG  80  -2.728  -9.925  -6.519
  614   2HG   ARG  80          3HG       ARG  80  -1.588  -9.107  -5.450
  615   1HD   ARG  80          2HD       ARG  80  -1.703 -11.345  -4.721
  616   2HD   ARG  80          3HD       ARG  80  -2.499 -10.321  -3.512
  617    HE   ARG  80           HE       ARG  80  -4.394 -11.399  -5.391
  618   1HH1  ARG  80          1HH2      ARG  80  -2.467 -12.333  -2.547
  619   2HH1  ARG  80          2HH2      ARG  80  -3.533 -13.657  -2.160
  620   1HH2  ARG  80          1HH1      ARG  80  -5.727 -13.110  -4.796
  621   2HH2  ARG  80          2HH1      ARG  80  -5.340 -14.072  -3.396
  622    H    SER  81           H        SER  81  -4.109  -5.530  -3.982
  623    HA   SER  81           HA       SER  81  -6.704  -4.832  -4.986
  624   1HB   SER  81          2HB       SER  81  -6.045  -4.475  -2.637
  625   2HB   SER  81          3HB       SER  81  -4.830  -3.282  -3.149
  626    HG   SER  81           HG       SER  81  -7.640  -3.097  -3.561
  627    H    LEU  82           H        LEU  82  -3.472  -3.227  -5.340
  628    HA   LEU  82           HA       LEU  82  -4.438  -1.114  -6.950
  629   1HB   LEU  82          2HB       LEU  82  -2.212  -1.354  -5.742
  630   2HB   LEU  82          3HB       LEU  82  -1.669  -2.396  -7.037
  631    HG   LEU  82           HG       LEU  82  -1.797  -0.580  -8.644
  632   1HD1  LEU  82          1HD1      LEU  82  -3.746   0.676  -7.991
  633   2HD1  LEU  82          2HD1      LEU  82  -3.076   1.029  -6.394
  634   3HD1  LEU  82          3HD1      LEU  82  -2.373   1.770  -7.856
  635   1HD2  LEU  82          1HD2      LEU  82  -0.497   0.225  -6.012
  636   2HD2  LEU  82          2HD2      LEU  82   0.233  -0.700  -7.336
  637   3HD2  LEU  82          3HD2      LEU  82  -0.188   1.009  -7.568
  638    H    GLU  83           H        GLU  83  -2.987  -4.282  -7.946
  639    HA   GLU  83           HA       GLU  83  -3.209  -3.919 -10.745
  640   1HB   GLU  83          2HB       GLU  83  -1.955  -5.701  -9.617
  641   2HB   GLU  83          3HB       GLU  83  -3.453  -6.398  -8.992
  642   1HG   GLU  83          2HG       GLU  83  -4.164  -6.952 -11.301
  643   2HG   GLU  83          3HG       GLU  83  -2.682  -6.213 -11.931
  644    H    SER  84           H        SER  84  -5.668  -5.263  -8.442
  645    HA   SER  84           HA       SER  84  -7.677  -5.626 -10.460
  646   1HB   SER  84          2HB       SER  84  -7.711  -6.781  -8.279
  647   2HB   SER  84          3HB       SER  84  -8.001  -5.226  -7.465
  648    HG   SER  84           HG       SER  84  -9.800  -5.199  -9.247
  649    H    PHE  85           H        PHE  85  -6.664  -2.750  -8.697
  650    HA   PHE  85           HA       PHE  85  -9.112  -1.255  -9.194
  651   1HB   PHE  85          2HB       PHE  85  -7.814  -0.895  -7.195
  652   2HB   PHE  85          3HB       PHE  85  -6.368  -0.550  -8.124
  653    HD1  PHE  85           HD1      PHE  85  -5.829   1.637  -8.729
  654    HD2  PHE  85           HD2      PHE  85  -9.839   0.690  -7.507
  655    HE1  PHE  85           HE1      PHE  85  -6.291   4.044  -8.458
  656    HE2  PHE  85           HE2      PHE  85 -10.329   3.132  -7.228
  657    HZ   PHE  85           HZ       PHE  85  -8.557   4.808  -7.715
  658    H    LEU  86           H        LEU  86  -5.793  -1.278 -10.667
  659    HA   LEU  86           HA       LEU  86  -6.492   0.641 -12.736
  660   1HB   LEU  86          2HB       LEU  86  -4.354  -1.533 -12.619
  661   2HB   LEU  86          3HB       LEU  86  -4.613  -0.503 -14.009
  662    HG   LEU  86           HG       LEU  86  -2.786   0.419 -12.973
  663   1HD1  LEU  86          1HD1      LEU  86  -4.519   2.139 -13.558
  664   2HD1  LEU  86          2HD1      LEU  86  -4.982   2.169 -11.829
  665   3HD1  LEU  86          3HD1      LEU  86  -3.356   2.650 -12.321
  666   1HD2  LEU  86          1HD2      LEU  86  -4.199   0.454 -10.295
  667   2HD2  LEU  86          2HD2      LEU  86  -2.915  -0.678 -10.793
  668   3HD2  LEU  86          3HD2      LEU  86  -2.562   1.050 -10.636
  669    H    ASP  87           H        ASP  87  -6.817  -2.896 -12.458
  670    HA   ASP  87           HA       ASP  87  -8.071  -3.312 -15.015
  671   1HB   ASP  87          2HB       ASP  87  -6.860  -4.985 -13.532
  672   2HB   ASP  87          3HB       ASP  87  -8.281  -4.981 -12.483
  673    H    GLY  88           H        GLY  88  -9.235  -1.331 -12.668
  674   1HA   GLY  88          2HA       GLY  88 -11.996  -1.720 -13.718
  675   2HA   GLY  88          3HA       GLY  88 -11.734  -1.403 -11.985
  676    H    PHE  89           H        PHE  89 -10.199  -0.146 -14.964
  677    HA   PHE  89           HA       PHE  89 -11.008   2.596 -14.658
  678   1HB   PHE  89          2HB       PHE  89  -9.699   2.674 -12.646
  679   2HB   PHE  89          3HB       PHE  89  -8.392   1.770 -13.375
  680    HD1  PHE  89           HD1      PHE  89 -10.138   4.822 -14.770
  681    HD2  PHE  89           HD2      PHE  89  -6.570   3.128 -13.081
  682    HE1  PHE  89           HE1      PHE  89  -8.918   6.928 -15.259
  683    HE2  PHE  89           HE2      PHE  89  -5.319   5.214 -13.619
  684    HZ   PHE  89           HZ       PHE  89  -6.507   7.124 -14.703
  685    H    ARG  90           H        ARG  90  -8.016   0.748 -15.578
  686    HA   ARG  90           HA       ARG  90  -7.915   2.327 -18.127
  687   1HB   ARG  90          2HB       ARG  90  -5.804   0.463 -16.969
  688   2HB   ARG  90          3HB       ARG  90  -5.664   1.514 -18.391
  689   1HG   ARG  90          2HG       ARG  90  -6.215   3.469 -16.759
  690   2HG   ARG  90          3HG       ARG  90  -5.852   2.315 -15.473
  691   1HD   ARG  90          2HD       ARG  90  -3.975   3.270 -17.675
  692   2HD   ARG  90          3HD       ARG  90  -3.922   3.721 -15.980
  693    HE   ARG  90           HE       ARG  90  -3.071   1.607 -15.379
  694   1HH1  ARG  90          1HH2      ARG  90  -3.520   1.715 -18.864
  695   2HH1  ARG  90          2HH2      ARG  90  -2.420   0.397 -19.147
  696   1HH2  ARG  90          1HH1      ARG  90  -1.672  -0.092 -15.809
  697   2HH2  ARG  90          2HH1      ARG  90  -1.406  -0.595 -17.447
  698    H    GLU  91           H        GLU  91  -8.993  -0.525 -16.904
  699    HA   GLU  91           HA       GLU  91 -10.004  -1.561 -19.410
  700   1HB   GLU  91          2HB       GLU  91  -8.512  -3.247 -17.350
  701   2HB   GLU  91          3HB       GLU  91  -9.565  -3.909 -18.592
  702   1HG   GLU  91          2HG       GLU  91  -7.044  -2.306 -19.230
  703   2HG   GLU  91          3HG       GLU  91  -7.065  -4.036 -18.985
  Start of MODEL   12
    1    H    MET   1           H1       MET   1 -10.345   9.788  -6.152
    2    HA   MET   1           HA       MET   1 -11.693   7.921  -6.547
    3   1HB   MET   1          2HB       MET   1 -14.056   9.832  -6.212
    4   2HB   MET   1          3HB       MET   1 -14.169   8.155  -6.764
    5   1HG   MET   1          2HG       MET   1 -13.071   7.468  -4.578
    6   2HG   MET   1          3HG       MET   1 -13.337   9.119  -4.015
    7   1HE   MET   1          1HE       MET   1 -15.799  10.201  -3.695
    8   2HE   MET   1          2HE       MET   1 -16.274   9.783  -5.361
    9   3HE   MET   1          3HE       MET   1 -17.304   9.308  -3.999
   10    H    SER   2           H        SER   2 -12.708   7.373  -8.676
   11    HA   SER   2           HA       SER   2 -12.793   7.541 -10.941
   12   1HB   SER   2          2HB       SER   2 -14.841   8.667 -10.492
   13   2HB   SER   2          3HB       SER   2 -14.008  10.200 -10.161
   14    HG   SER   2           HG       SER   2 -13.245  10.145 -12.307
   15    H    LEU   3           H        LEU   3 -10.450   7.425 -11.056
   16    HA   LEU   3           HA       LEU   3  -8.644   9.500 -11.022
   17   1HB   LEU   3          2HB       LEU   3  -8.534   7.038 -12.803
   18   2HB   LEU   3          3HB       LEU   3  -7.163   8.036 -12.332
   19    HG   LEU   3           HG       LEU   3  -8.832   6.269 -10.500
   20   1HD1  LEU   3          1HD1      LEU   3  -7.201   5.121 -11.989
   21   2HD1  LEU   3          2HD1      LEU   3  -5.905   6.142 -11.350
   22   3HD1  LEU   3          3HD1      LEU   3  -6.748   4.994 -10.284
   23   1HD2  LEU   3          1HD2      LEU   3  -6.490   8.094  -9.795
   24   2HD2  LEU   3          2HD2      LEU   3  -8.158   8.231  -9.193
   25   3HD2  LEU   3          3HD2      LEU   3  -7.172   6.847  -8.732
   26    H    ARG   4           H        ARG   4  -7.392  10.560 -12.552
   27    HA   ARG   4           HA       ARG   4  -8.751  11.468 -15.054
   28   1HB   ARG   4          2HB       ARG   4  -7.786  13.106 -12.649
   29   2HB   ARG   4          3HB       ARG   4  -8.209  13.831 -14.202
   30   1HG   ARG   4          2HG       ARG   4 -10.502  13.033 -14.036
   31   2HG   ARG   4          3HG       ARG   4 -10.147  12.232 -12.496
   32   1HD   ARG   4          2HD       ARG   4  -9.680  14.304 -11.391
   33   2HD   ARG   4          3HD       ARG   4  -9.753  15.216 -12.898
   34    HE   ARG   4           HE       ARG   4 -12.011  14.113 -11.339
   35   1HH1  ARG   4          1HH2      ARG   4 -11.089  15.690 -14.329
   36   2HH1  ARG   4          2HH2      ARG   4 -12.718  16.177 -14.715
   37   1HH2  ARG   4          1HH1      ARG   4 -14.097  14.768 -11.870
   38   2HH2  ARG   4          2HH1      ARG   4 -14.385  15.657 -13.335
   39    H    LYS   5           H        LYS   5  -7.012  13.480 -15.728
   40    HA   LYS   5           HA       LYS   5  -4.538  12.297 -16.615
   41   1HB   LYS   5          2HB       LYS   5  -5.576  15.130 -16.241
   42   2HB   LYS   5          3HB       LYS   5  -3.872  14.873 -16.571
   43   1HG   LYS   5          2HG       LYS   5  -5.761  13.459 -18.425
   44   2HG   LYS   5          3HG       LYS   5  -5.766  15.218 -18.497
   45   1HD   LYS   5          2HD       LYS   5  -4.200  14.294 -20.132
   46   2HD   LYS   5          3HD       LYS   5  -3.379  15.301 -18.932
   47   1HE   LYS   5          2HE       LYS   5  -2.692  13.234 -17.699
   48   2HE   LYS   5          3HE       LYS   5  -3.467  12.250 -18.952
   49   1HZ   LYS   5          1HZ       LYS   5  -1.212  14.125 -19.376
   50   2HZ   LYS   5          2HZ       LYS   5  -1.095  12.488 -19.345
   51   3HZ   LYS   5          3HZ       LYS   5  -1.925  13.228 -20.556
   52    H    LEU   6           H        LEU   6  -3.095  11.489 -15.243
   53    HA   LEU   6           HA       LEU   6  -3.249  12.040 -12.469
   54   1HB   LEU   6          2HB       LEU   6  -1.159  10.499 -14.056
   55   2HB   LEU   6          3HB       LEU   6  -1.338  10.461 -12.307
   56    HG   LEU   6           HG       LEU   6  -3.446   9.509 -14.290
   57   1HD1  LEU   6          1HD1      LEU   6  -1.419   8.080 -14.238
   58   2HD1  LEU   6          2HD1      LEU   6  -1.628   7.871 -12.485
   59   3HD1  LEU   6          3HD1      LEU   6  -2.856   7.260 -13.607
   60   1HD2  LEU   6          1HD2      LEU   6  -3.340   9.315 -11.241
   61   2HD2  LEU   6          2HD2      LEU   6  -4.523  10.226 -12.211
   62   3HD2  LEU   6          3HD2      LEU   6  -4.504   8.465 -12.280
   63    H    THR   7           H        THR   7  -2.396  13.529 -11.269
   64    HA   THR   7           HA       THR   7   0.239  14.779 -11.916
   65    HB   THR   7           HB       THR   7  -0.595  16.844 -11.042
   66    HG1  THR   7           1HG      THR   7  -3.045  15.425 -10.451
   67   1HG2  THR   7          1HG2      THR   7  -1.231  16.382 -13.422
   68   2HG2  THR   7          2HG2      THR   7  -2.838  15.884 -12.843
   69   3HG2  THR   7          3HG2      THR   7  -2.279  17.544 -12.579
   70    H    GLU   8           H        GLU   8   1.073  15.897  -9.816
   71    HA   GLU   8           HA       GLU   8   1.658  14.222  -7.759
   72   1HB   GLU   8          2HB       GLU   8   1.124  17.178  -7.312
   73   2HB   GLU   8          3HB       GLU   8   2.286  16.147  -6.481
   74   1HG   GLU   8          2HG       GLU   8   2.419  17.185  -9.340
   75   2HG   GLU   8          3HG       GLU   8   3.464  17.617  -7.993
   76    H    GLY   9           H        GLY   9  -1.467  15.884  -8.095
   77   1HA   GLY   9          2HA       GLY   9  -2.317  15.310  -5.336
   78   2HA   GLY   9          3HA       GLY   9  -3.289  15.994  -6.647
   79    H    ASP  10           H        ASP  10  -3.246  14.110  -8.632
   80    HA   ASP  10           HA       ASP  10  -5.088  12.131  -7.738
   81   1HB   ASP  10          2HB       ASP  10  -3.414  11.877 -10.248
   82   2HB   ASP  10          3HB       ASP  10  -5.077  11.359  -9.978
   83    H    LEU  11           H        LEU  11  -1.593  11.997  -8.478
   84    HA   LEU  11           HA       LEU  11  -1.297   9.159  -7.969
   85   1HB   LEU  11          2HB       LEU  11   0.734  11.434  -7.985
   86   2HB   LEU  11          3HB       LEU  11   1.122   9.724  -7.916
   87    HG   LEU  11           HG       LEU  11  -0.265  11.104 -10.249
   88   1HD1  LEU  11          1HD1      LEU  11   2.123  11.683 -10.010
   89   2HD1  LEU  11          2HD1      LEU  11   2.540   9.955  -9.985
   90   3HD1  LEU  11          3HD1      LEU  11   1.831  10.686 -11.443
   91   1HD2  LEU  11          1HD2      LEU  11   0.557   8.208  -9.869
   92   2HD2  LEU  11          2HD2      LEU  11  -1.062   8.841 -10.209
   93   3HD2  LEU  11          3HD2      LEU  11   0.212   8.934 -11.440
   94    H    ASP  12           H        ASP  12  -1.032  12.084  -5.818
   95    HA   ASP  12           HA       ASP  12  -0.270  10.395  -3.631
   96   1HB   ASP  12          2HB       ASP  12   0.271  12.827  -3.705
   97   2HB   ASP  12          3HB       ASP  12  -1.422  13.144  -3.252
   98    H    GLU  13           H        GLU  13  -3.529  11.450  -4.761
   99    HA   GLU  13           HA       GLU  13  -4.957  10.285  -2.578
  100   1HB   GLU  13          2HB       GLU  13  -6.082  11.519  -4.438
  101   2HB   GLU  13          3HB       GLU  13  -5.754  10.162  -5.519
  102   1HG   GLU  13          2HG       GLU  13  -7.067   8.653  -3.997
  103   2HG   GLU  13          3HG       GLU  13  -7.402  10.043  -2.955
  104    H    ILE  14           H        ILE  14  -3.540   8.730  -5.483
  105    HA   ILE  14           HA       ILE  14  -4.171   6.038  -4.656
  106    HB   ILE  14           HB       ILE  14  -2.179   7.190  -6.624
  107   1HG1  ILE  14          2HG1      ILE  14  -4.788   5.629  -6.907
  108   2HG1  ILE  14          3HG1      ILE  14  -4.599   7.361  -7.154
  109   1HG2  ILE  14          1HG2      ILE  14  -2.747   4.250  -6.092
  110   2HG2  ILE  14          2HG2      ILE  14  -1.743   4.895  -7.414
  111   3HG2  ILE  14          3HG2      ILE  14  -1.212   5.090  -5.752
  112   1HD1  ILE  14          1HD1      ILE  14  -3.059   6.897  -9.075
  113   2HD1  ILE  14          2HD1      ILE  14  -3.436   5.158  -8.897
  114   3HD1  ILE  14          3HD1      ILE  14  -4.716   6.297  -9.294
  115    H    SER  15           H        SER  15  -1.102   7.975  -4.153
  116    HA   SER  15           HA       SER  15   0.240   5.961  -2.751
  117   1HB   SER  15          2HB       SER  15   1.840   7.485  -2.609
  118   2HB   SER  15          3HB       SER  15   0.761   8.656  -3.353
  119    HG   SER  15           HG       SER  15   0.739   9.756  -1.434
  120    H    SER  16           H        SER  16  -2.003   8.379  -1.390
  121    HA   SER  16           HA       SER  16  -1.855   7.381   1.309
  122   1HB   SER  16          2HB       SER  16  -2.730   9.635   0.760
  123   2HB   SER  16          3HB       SER  16  -4.145   8.884  -0.011
  124    HG   SER  16           HG       SER  16  -4.094   7.701   2.252
  125    H    PHE  17           H        PHE  17  -4.031   6.528  -1.470
  126    HA   PHE  17           HA       PHE  17  -5.769   4.847   0.021
  127   1HB   PHE  17          2HB       PHE  17  -6.172   5.647  -2.292
  128   2HB   PHE  17          3HB       PHE  17  -4.893   4.591  -2.880
  129    HD1  PHE  17           HD1      PHE  17  -5.394   2.341  -3.483
  130    HD2  PHE  17           HD2      PHE  17  -8.183   4.589  -1.084
  131    HE1  PHE  17           HE1      PHE  17  -7.062   0.517  -3.711
  132    HE2  PHE  17           HE2      PHE  17  -9.851   2.763  -1.316
  133    HZ   PHE  17           HZ       PHE  17  -9.291   0.726  -2.629
  134    H    LEU  18           H        LEU  18  -2.623   4.043  -1.588
  135    HA   LEU  18           HA       LEU  18  -2.777   1.283  -0.637
  136   1HB   LEU  18          2HB       LEU  18  -0.444   2.888  -1.753
  137   2HB   LEU  18          3HB       LEU  18  -0.337   1.215  -1.233
  138    HG   LEU  18           HG       LEU  18  -0.580   0.927  -3.456
  139   1HD1  LEU  18          1HD1      LEU  18  -2.420  -0.337  -2.306
  140   2HD1  LEU  18          2HD1      LEU  18  -3.534   0.980  -2.721
  141   3HD1  LEU  18          3HD1      LEU  18  -2.754   0.046  -3.990
  142   1HD2  LEU  18          1HD2      LEU  18  -2.743   2.993  -3.781
  143   2HD2  LEU  18          2HD2      LEU  18  -1.003   3.354  -3.943
  144   3HD2  LEU  18          3HD2      LEU  18  -1.765   2.199  -5.025
  145    H    HIS  19           H        HIS  19  -1.059   4.198   0.661
  146    HA   HIS  19           HA       HIS  19   0.142   2.825   2.827
  147   1HB   HIS  19          2HB       HIS  19   0.658   5.144   2.243
  148   2HB   HIS  19          3HB       HIS  19  -0.974   5.648   2.688
  149    HD1  HIS  19           HD1      HIS  19   0.080   7.316   4.527
  150    HD2  HIS  19           HD2      HIS  19   0.824   3.225   5.103
  151    HE1  HIS  19           HE1      HIS  19   0.959   7.055   6.916
  152    H    ASN  20           H        ASN  20  -3.135   4.337   2.684
  153    HA   ASN  20           HA       ASN  20  -3.984   3.413   5.249
  154   1HB   ASN  20          2HB       ASN  20  -5.564   4.129   2.745
  155   2HB   ASN  20          3HB       ASN  20  -6.278   3.845   4.336
  156   1HD2  ASN  20          2HD2      ASN  20  -6.543   6.313   2.889
  157   2HD2  ASN  20          1HD2      ASN  20  -5.740   7.526   3.893
  158    H    THR  21           H        THR  21  -4.189   1.805   2.015
  159    HA   THR  21           HA       THR  21  -5.768  -0.406   2.849
  160    HB   THR  21           HB       THR  21  -3.606  -0.305   0.706
  161    HG1  THR  21           1HG      THR  21  -5.254   1.157   0.308
  162   1HG2  THR  21          1HG2      THR  21  -4.103  -2.654   1.131
  163   2HG2  THR  21          2HG2      THR  21  -5.851  -2.316   1.143
  164   3HG2  THR  21          3HG2      THR  21  -4.917  -2.156  -0.357
  165    H    ILE  22           H        ILE  22  -2.165  -0.100   2.823
  166    HA   ILE  22           HA       ILE  22  -1.755  -2.728   3.989
  167    HB   ILE  22           HB       ILE  22   0.054  -0.293   3.894
  168   1HG1  ILE  22          2HG1      ILE  22  -0.167  -2.707   2.056
  169   2HG1  ILE  22          3HG1      ILE  22  -0.579  -1.040   1.665
  170   1HG2  ILE  22          1HG2      ILE  22   0.730  -2.094   5.614
  171   2HG2  ILE  22          2HG2      ILE  22   0.927  -3.201   4.237
  172   3HG2  ILE  22          3HG2      ILE  22   1.929  -1.764   4.377
  173   1HD1  ILE  22          1HD1      ILE  22   1.899  -0.498   2.255
  174   2HD1  ILE  22          2HD1      ILE  22   2.134  -2.256   2.040
  175   3HD1  ILE  22          3HD1      ILE  22   1.468  -1.277   0.697
  176    H    SER  23           H        SER  23  -1.898   0.599   5.397
  177    HA   SER  23           HA       SER  23  -1.389  -0.116   8.090
  178   1HB   SER  23          2HB       SER  23  -1.483   2.199   7.191
  179   2HB   SER  23          3HB       SER  23  -3.263   2.060   7.065
  180    HG   SER  23           HG       SER  23  -2.561   3.033   9.030
  181    H    ASP  24           H        ASP  24  -4.648   0.166   6.469
  182    HA   ASP  24           HA       ASP  24  -6.124  -0.950   8.607
  183   1HB   ASP  24          2HB       ASP  24  -6.587  -0.781   5.615
  184   2HB   ASP  24          3HB       ASP  24  -7.689  -1.658   6.649
  185    H    PHE  25           H        PHE  25  -4.442  -2.707   5.890
  186    HA   PHE  25           HA       PHE  25  -5.459  -5.276   6.601
  187   1HB   PHE  25          2HB       PHE  25  -4.249  -4.717   4.504
  188   2HB   PHE  25          3HB       PHE  25  -2.757  -4.534   5.407
  189    HD1  PHE  25           HD1      PHE  25  -4.815  -6.812   3.576
  190    HD2  PHE  25           HD2      PHE  25  -1.846  -6.618   6.701
  191    HE1  PHE  25           HE1      PHE  25  -4.279  -9.206   3.227
  192    HE2  PHE  25           HE2      PHE  25  -1.279  -8.991   6.306
  193    HZ   PHE  25           HZ       PHE  25  -2.501 -10.287   4.574
  194    H    ILE  26           H        ILE  26  -2.494  -3.549   7.765
  195    HA   ILE  26           HA       ILE  26  -1.622  -5.624   9.520
  196    HB   ILE  26           HB       ILE  26  -1.132  -2.632   9.258
  197   1HG1  ILE  26          2HG1      ILE  26   0.702  -5.034   8.763
  198   2HG1  ILE  26          3HG1      ILE  26  -0.275  -4.290   7.508
  199   1HG2  ILE  26          1HG2      ILE  26  -0.824  -3.208  11.631
  200   2HG2  ILE  26          2HG2      ILE  26   0.274  -4.530  11.168
  201   3HG2  ILE  26          3HG2      ILE  26   0.702  -2.829  10.858
  202   1HD1  ILE  26          1HD1      ILE  26   0.896  -2.105   7.923
  203   2HD1  ILE  26          2HD1      ILE  26   2.007  -2.963   9.007
  204   3HD1  ILE  26          3HD1      ILE  26   1.929  -3.414   7.300
  205    H    LEU  27           H        LEU  27  -3.515  -2.591  10.202
  206    HA   LEU  27           HA       LEU  27  -3.948  -3.232  12.945
  207   1HB   LEU  27          2HB       LEU  27  -5.131  -1.302  10.953
  208   2HB   LEU  27          3HB       LEU  27  -6.029  -1.582  12.419
  209    HG   LEU  27           HG       LEU  27  -4.599   0.402  12.540
  210   1HD1  LEU  27          1HD1      LEU  27  -5.289  -0.826  14.585
  211   2HD1  LEU  27          2HD1      LEU  27  -3.756  -1.727  14.547
  212   3HD1  LEU  27          3HD1      LEU  27  -3.752   0.034  14.772
  213   1HD2  LEU  27          1HD2      LEU  27  -2.214  -1.492  12.577
  214   2HD2  LEU  27          2HD2      LEU  27  -2.622  -0.358  11.267
  215   3HD2  LEU  27          3HD2      LEU  27  -2.189   0.258  12.863
  216    H    LYS  28           H        LYS  28  -5.622  -4.501  10.149
  217    HA   LYS  28           HA       LYS  28  -7.708  -5.698  11.905
  218   1HB   LYS  28          2HB       LYS  28  -7.423  -5.608   8.885
  219   2HB   LYS  28          3HB       LYS  28  -8.758  -6.384   9.746
  220   1HG   LYS  28          2HG       LYS  28  -9.521  -4.303  10.696
  221   2HG   LYS  28          3HG       LYS  28  -8.075  -3.448  10.178
  222   1HD   LYS  28          2HD       LYS  28  -8.773  -4.026   7.760
  223   2HD   LYS  28          3HD       LYS  28 -10.369  -4.416   8.452
  224   1HE   LYS  28          2HE       LYS  28 -10.457  -2.125   9.462
  225   2HE   LYS  28          3HE       LYS  28  -8.827  -1.813   8.854
  226   1HZ   LYS  28          1HZ       LYS  28  -9.854  -2.291   6.584
  227   2HZ   LYS  28          2HZ       LYS  28 -11.304  -1.928   7.301
  228   3HZ   LYS  28          3HZ       LYS  28 -10.037  -0.835   7.262
  229    H    ARG  29           H        ARG  29  -4.608  -6.591  10.982
  230    HA   ARG  29           HA       ARG  29  -5.307  -9.469  11.554
  231   1HB   ARG  29          2HB       ARG  29  -3.042  -8.211   9.968
  232   2HB   ARG  29          3HB       ARG  29  -2.882  -9.778  10.738
  233   1HG   ARG  29          2HG       ARG  29  -5.090 -10.421   9.470
  234   2HG   ARG  29          3HG       ARG  29  -4.668  -9.035   8.425
  235   1HD   ARG  29          2HD       ARG  29  -2.375 -10.005   8.163
  236   2HD   ARG  29          3HD       ARG  29  -2.850 -11.369   9.190
  237    HE   ARG  29           HE       ARG  29  -4.543 -11.087   6.849
  238   1HH1  ARG  29          1HH2      ARG  29  -1.501 -12.417   8.003
  239   2HH1  ARG  29          2HH2      ARG  29  -1.146 -13.263   6.513
  240   1HH2  ARG  29          1HH1      ARG  29  -4.182 -12.454   5.022
  241   2HH2  ARG  29          2HH1      ARG  29  -2.655 -13.329   4.920
  242    H    VAL  30           H        VAL  30  -3.166  -6.804  12.626
  243    HA   VAL  30           HA       VAL  30  -2.483  -8.422  15.039
  244    HB   VAL  30           HB       VAL  30  -0.689  -8.709  13.440
  245   1HG1  VAL  30          1HG1      VAL  30  -0.868  -6.714  12.044
  246   2HG1  VAL  30          2HG1      VAL  30  -0.354  -5.684  13.402
  247   3HG1  VAL  30          3HG1      VAL  30   0.761  -6.873  12.692
  248   1HG2  VAL  30          1HG2      VAL  30   0.156  -6.859  15.700
  249   2HG2  VAL  30          2HG2      VAL  30  -0.077  -8.624  15.780
  250   3HG2  VAL  30          3HG2      VAL  30   1.209  -7.947  14.781
  251    H    SER  31           H        SER  31  -2.167  -7.222  16.966
  252    HA   SER  31           HA       SER  31  -3.690  -4.702  16.917
  253   1HB   SER  31          2HB       SER  31  -4.007  -6.447  18.700
  254   2HB   SER  31          3HB       SER  31  -2.341  -6.146  19.239
  255    HG   SER  31           HG       SER  31  -4.597  -4.473  19.353
  256    H    ALA  32           H        ALA  32  -2.783  -2.685  16.982
  257    HA   ALA  32           HA       ALA  32  -0.152  -1.968  16.911
  258   1HB   ALA  32          1HB       ALA  32  -2.031  -0.453  16.512
  259   2HB   ALA  32          2HB       ALA  32  -2.452  -0.485  18.242
  260   3HB   ALA  32          3HB       ALA  32  -0.918   0.233  17.707
  261    H    LYS  33           H        LYS  33  -1.827  -3.150  19.799
  262    HA   LYS  33           HA       LYS  33   0.073  -2.221  21.780
  263   1HB   LYS  33          2HB       LYS  33  -1.749  -4.669  21.716
  264   2HB   LYS  33          3HB       LYS  33  -0.834  -4.121  23.125
  265   1HG   LYS  33          2HG       LYS  33  -2.035  -1.937  23.058
  266   2HG   LYS  33          3HG       LYS  33  -3.020  -2.534  21.703
  267   1HD   LYS  33          2HD       LYS  33  -3.869  -4.375  23.119
  268   2HD   LYS  33          3HD       LYS  33  -2.871  -3.800  24.475
  269   1HE   LYS  33          2HE       LYS  33  -4.057  -1.612  24.402
  270   2HE   LYS  33          3HE       LYS  33  -5.070  -2.209  23.078
  271   1HZ   LYS  33          1HZ       LYS  33  -5.895  -3.927  24.575
  272   2HZ   LYS  33          2HZ       LYS  33  -4.955  -3.368  25.802
  273   3HZ   LYS  33          3HZ       LYS  33  -6.179  -2.438  25.215
  274    H    GLU  34           H        GLU  34   0.337  -4.666  19.332
  275    HA   GLU  34           HA       GLU  34   2.682  -5.997  20.579
  276   1HB   GLU  34          2HB       GLU  34   1.303  -6.435  17.894
  277   2HB   GLU  34          3HB       GLU  34   2.463  -7.498  18.648
  278   1HG   GLU  34          2HG       GLU  34   0.894  -8.125  20.394
  279   2HG   GLU  34          3HG       GLU  34  -0.260  -6.885  19.894
  280    H    ILE  35           H        ILE  35   2.003  -3.292  18.581
  281    HA   ILE  35           HA       ILE  35   4.419  -3.606  16.865
  282    HB   ILE  35           HB       ILE  35   1.937  -1.882  16.587
  283   1HG1  ILE  35          2HG1      ILE  35   1.189  -4.081  16.168
  284   2HG1  ILE  35          3HG1      ILE  35   1.421  -3.363  14.596
  285   1HG2  ILE  35          1HG2      ILE  35   3.736  -0.768  15.476
  286   2HG2  ILE  35          2HG2      ILE  35   4.210  -2.255  14.618
  287   3HG2  ILE  35          3HG2      ILE  35   2.649  -1.460  14.283
  288   1HD1  ILE  35          1HD1      ILE  35   3.693  -4.578  14.529
  289   2HD1  ILE  35          2HD1      ILE  35   3.152  -5.424  15.992
  290   3HD1  ILE  35          3HD1      ILE  35   2.239  -5.605  14.494
  291    H    VAL  36           H        VAL  36   6.109  -2.396  17.196
  292    HA   VAL  36           HA       VAL  36   6.188  -0.129  19.078
  293    HB   VAL  36           HB       VAL  36   8.202  -1.473  17.230
  294   1HG1  VAL  36          1HG1      VAL  36   8.813   0.859  17.150
  295   2HG1  VAL  36          2HG1      VAL  36   8.638   1.018  18.917
  296   3HG1  VAL  36          3HG1      VAL  36   9.934   0.013  18.222
  297   1HG2  VAL  36          1HG2      VAL  36   8.129  -1.127  20.259
  298   2HG2  VAL  36          2HG2      VAL  36   7.600  -2.578  19.389
  299   3HG2  VAL  36          3HG2      VAL  36   9.298  -2.085  19.318
  300    H    ASP  37           H        ASP  37   6.534  -0.631  15.513
  301    HA   ASP  37           HA       ASP  37   4.959   1.685  14.950
  302   1HB   ASP  37          2HB       ASP  37   7.457   2.529  15.606
  303   2HB   ASP  37          3HB       ASP  37   7.746   2.171  13.918
  304    H    ILE  38           H        ILE  38   5.255   2.314  12.490
  305    HA   ILE  38           HA       ILE  38   6.011  -0.019  10.802
  306    HB   ILE  38           HB       ILE  38   4.071   0.437   9.288
  307   1HG1  ILE  38          2HG1      ILE  38   2.921   1.990  11.649
  308   2HG1  ILE  38          3HG1      ILE  38   3.357   2.640  10.066
  309   1HG2  ILE  38          1HG2      ILE  38   4.216  -1.499  10.764
  310   2HG2  ILE  38          2HG2      ILE  38   3.328  -0.623  12.032
  311   3HG2  ILE  38          3HG2      ILE  38   2.550  -1.020  10.476
  312   1HD1  ILE  38          1HD1      ILE  38   1.611   1.136   9.033
  313   2HD1  ILE  38          2HD1      ILE  38   1.076   0.731  10.682
  314   3HD1  ILE  38          3HD1      ILE  38   0.986   2.401  10.109
  315    H    ASP  39           H        ASP  39   6.896   0.451   8.880
  316    HA   ASP  39           HA       ASP  39   7.105   3.335   8.047
  317   1HB   ASP  39          2HB       ASP  39   9.133   1.093   7.765
  318   2HB   ASP  39          3HB       ASP  39   9.107   2.464   6.673
  319    H    ILE  40           H        ILE  40   5.860   3.671   6.274
  320    HA   ILE  40           HA       ILE  40   5.740   1.522   4.218
  321    HB   ILE  40           HB       ILE  40   3.356   3.050   5.310
  322   1HG1  ILE  40          2HG1      ILE  40   3.703   0.081   4.765
  323   2HG1  ILE  40          3HG1      ILE  40   4.179   0.773   6.320
  324   1HG2  ILE  40          1HG2      ILE  40   3.200   3.143   2.859
  325   2HG2  ILE  40          2HG2      ILE  40   3.670   1.428   2.728
  326   3HG2  ILE  40          3HG2      ILE  40   2.103   1.884   3.411
  327   1HD1  ILE  40          1HD1      ILE  40   1.874   1.516   6.711
  328   2HD1  ILE  40          2HD1      ILE  40   1.396   0.743   5.175
  329   3HD1  ILE  40          3HD1      ILE  40   2.044  -0.245   6.500
  330    H    THR  41           H        THR  41   6.545   2.194   2.443
  331    HA   THR  41           HA       THR  41   6.400   5.092   1.697
  332    HB   THR  41           HB       THR  41   8.671   3.141   1.153
  333    HG1  THR  41           1HG      THR  41   8.373   4.123   3.299
  334   1HG2  THR  41          1HG2      THR  41   8.401   4.781  -0.679
  335   2HG2  THR  41          2HG2      THR  41   8.366   6.112   0.500
  336   3HG2  THR  41          3HG2      THR  41   9.842   5.146   0.284
  337    H    VAL  42           H        VAL  42   5.259   5.413  -0.061
  338    HA   VAL  42           HA       VAL  42   5.030   3.277  -2.145
  339    HB   VAL  42           HB       VAL  42   3.095   5.568  -1.572
  340   1HG1  VAL  42          1HG1      VAL  42   3.159   5.062  -3.959
  341   2HG1  VAL  42          2HG1      VAL  42   3.086   3.317  -3.640
  342   3HG1  VAL  42          3HG1      VAL  42   1.689   4.347  -3.288
  343   1HG2  VAL  42          1HG2      VAL  42   2.671   2.574  -1.204
  344   2HG2  VAL  42          2HG2      VAL  42   2.904   3.738   0.120
  345   3HG2  VAL  42          3HG2      VAL  42   1.488   3.869  -0.916
  346    H    LEU  43           H        LEU  43   6.275   3.702  -3.797
  347    HA   LEU  43           HA       LEU  43   7.070   6.505  -4.462
  348   1HB   LEU  43          2HB       LEU  43   8.334   3.794  -5.004
  349   2HB   LEU  43          3HB       LEU  43   8.848   5.259  -5.840
  350    HG   LEU  43           HG       LEU  43   8.885   4.960  -2.810
  351   1HD1  LEU  43          1HD1      LEU  43  10.374   3.297  -3.816
  352   2HD1  LEU  43          2HD1      LEU  43  11.155   4.561  -4.795
  353   3HD1  LEU  43          3HD1      LEU  43  11.303   4.577  -3.021
  354   1HD2  LEU  43          1HD2      LEU  43  10.247   6.957  -4.674
  355   2HD2  LEU  43          2HD2      LEU  43   8.902   7.311  -3.565
  356   3HD2  LEU  43          3HD2      LEU  43  10.478   6.859  -2.915
  357    H    VAL  44           H        VAL  44   6.611   7.281  -6.464
  358    HA   VAL  44           HA       VAL  44   5.259   5.552  -8.423
  359    HB   VAL  44           HB       VAL  44   3.494   6.519  -6.940
  360   1HG1  VAL  44          1HG1      VAL  44   4.613   8.710  -6.447
  361   2HG1  VAL  44          2HG1      VAL  44   4.234   9.229  -8.103
  362   3HG1  VAL  44          3HG1      VAL  44   2.931   8.839  -6.956
  363   1HG2  VAL  44          1HG2      VAL  44   3.381   7.564  -9.795
  364   2HG2  VAL  44          2HG2      VAL  44   3.053   5.891  -9.292
  365   3HG2  VAL  44          3HG2      VAL  44   2.031   7.194  -8.689
  366    H    GLU  45           H        GLU  45   5.655   6.151 -10.511
  367    HA   GLU  45           HA       GLU  45   7.361   8.538 -11.044
  368   1HB   GLU  45          2HB       GLU  45   8.884   6.801 -10.239
  369   2HB   GLU  45          3HB       GLU  45   8.162   5.609 -11.305
  370   1HG   GLU  45          2HG       GLU  45  10.322   6.259 -12.138
  371   2HG   GLU  45          3HG       GLU  45   9.087   6.757 -13.278
  372    H    TYR  46           H        TYR  46   7.655   8.955 -13.282
  373    HA   TYR  46           HA       TYR  46   6.116   7.294 -15.165
  374   1HB   TYR  46          2HB       TYR  46   4.647   9.261 -14.466
  375   2HB   TYR  46          3HB       TYR  46   5.765  10.291 -15.363
  376    HD1  TYR  46           HD1      TYR  46   6.287   9.554 -17.852
  377    HD2  TYR  46           HD2      TYR  46   2.941   8.090 -15.560
  378    HE1  TYR  46           HE1      TYR  46   5.399   8.418 -19.876
  379    HE2  TYR  46           HE2      TYR  46   2.001   7.034 -17.624
  380    HH   TYR  46           HH       TYR  46   4.048   6.607 -20.474
  381    H    THR  47           H        THR  47   7.732   6.519 -16.294
  382    HA   THR  47           HA       THR  47   9.663   8.382 -17.581
  383    HB   THR  47           HB       THR  47  10.782   7.595 -15.611
  384    HG1  THR  47           1HG      THR  47  12.206   7.928 -17.077
  385   1HG2  THR  47          1HG2      THR  47   9.716   5.324 -15.342
  386   2HG2  THR  47          2HG2      THR  47  10.756   4.751 -16.667
  387   3HG2  THR  47          3HG2      THR  47  11.479   5.375 -15.177
  388    H    ASP  48           H        ASP  48   8.311   8.233 -19.289
  389    HA   ASP  48           HA       ASP  48   7.371   7.582 -21.200
  390   1HB   ASP  48          2HB       ASP  48   9.688   6.663 -21.678
  391   2HB   ASP  48          3HB       ASP  48   9.043   5.067 -21.274
  392    H    GLU  49           H        GLU  49   7.626   4.918 -18.889
  393    HA   GLU  49           HA       GLU  49   4.720   4.316 -19.211
  394   1HB   GLU  49          2HB       GLU  49   5.194   2.178 -18.134
  395   2HB   GLU  49          3HB       GLU  49   6.127   2.365 -19.616
  396   1HG   GLU  49          2HG       GLU  49   8.165   2.827 -18.352
  397   2HG   GLU  49          3HG       GLU  49   7.266   2.903 -16.835
  398    H    LEU  50           H        LEU  50   3.556   3.864 -17.221
  399    HA   LEU  50           HA       LEU  50   4.255   5.621 -14.942
  400   1HB   LEU  50          2HB       LEU  50   1.978   5.645 -15.853
  401   2HB   LEU  50          3HB       LEU  50   1.823   3.923 -15.670
  402    HG   LEU  50           HG       LEU  50   0.545   5.364 -14.091
  403   1HD1  LEU  50          1HD1      LEU  50   1.032   2.961 -13.602
  404   2HD1  LEU  50          2HD1      LEU  50   2.379   3.488 -12.573
  405   3HD1  LEU  50          3HD1      LEU  50   0.730   3.975 -12.179
  406   1HD2  LEU  50          1HD2      LEU  50   2.294   7.061 -13.596
  407   2HD2  LEU  50          2HD2      LEU  50   1.559   6.357 -12.148
  408   3HD2  LEU  50          3HD2      LEU  50   3.173   5.843 -12.647
  409    H    LYS  51           H        LYS  51   5.232   4.819 -13.159
  410    HA   LYS  51           HA       LYS  51   4.900   1.903 -12.531
  411   1HB   LYS  51          2HB       LYS  51   7.393   3.607 -12.135
  412   2HB   LYS  51          3HB       LYS  51   7.085   2.060 -11.344
  413   1HG   LYS  51          2HG       LYS  51   6.825   1.016 -13.645
  414   2HG   LYS  51          3HG       LYS  51   7.379   2.550 -14.323
  415   1HD   LYS  51          2HD       LYS  51   9.228   1.034 -14.226
  416   2HD   LYS  51          3HD       LYS  51   9.532   2.310 -13.049
  417   1HE   LYS  51          2HE       LYS  51   8.156  -0.238 -12.150
  418   2HE   LYS  51          3HE       LYS  51   9.876  -0.314 -12.531
  419   1HZ   LYS  51          1HZ       LYS  51  10.286   1.392 -10.851
  420   2HZ   LYS  51          2HZ       LYS  51   8.682   1.483 -10.454
  421   3HZ   LYS  51          3HZ       LYS  51   9.427   0.164 -10.132
  422    H    VAL  52           H        VAL  52   4.606   1.357 -10.470
  423    HA   VAL  52           HA       VAL  52   4.622   3.339  -8.331
  424    HB   VAL  52           HB       VAL  52   2.292   3.360  -8.953
  425   1HG1  VAL  52          1HG1      VAL  52   2.124   1.129 -10.070
  426   2HG1  VAL  52          2HG1      VAL  52   2.159   0.357  -8.468
  427   3HG1  VAL  52          3HG1      VAL  52   0.830   1.446  -8.919
  428   1HG2  VAL  52          1HG2      VAL  52   2.619   1.709  -6.407
  429   2HG2  VAL  52          2HG2      VAL  52   2.894   3.462  -6.540
  430   3HG2  VAL  52          3HG2      VAL  52   1.279   2.791  -6.824
  431    H    ASP  53           H        ASP  53   5.579   2.528  -6.593
  432    HA   ASP  53           HA       ASP  53   6.245  -0.387  -6.462
  433   1HB   ASP  53          2HB       ASP  53   8.158   1.983  -6.279
  434   2HB   ASP  53          3HB       ASP  53   8.582   0.296  -6.026
  435    H    ILE  54           H        ILE  54   6.085  -1.165  -4.391
  436    HA   ILE  54           HA       ILE  54   5.565   0.829  -2.214
  437    HB   ILE  54           HB       ILE  54   4.189  -1.840  -2.645
  438   1HG1  ILE  54          2HG1      ILE  54   3.095   0.937  -3.259
  439   2HG1  ILE  54          3HG1      ILE  54   3.512  -0.289  -4.457
  440   1HG2  ILE  54          1HG2      ILE  54   4.328  -0.995  -0.275
  441   2HG2  ILE  54          2HG2      ILE  54   3.447   0.455  -0.789
  442   3HG2  ILE  54          3HG2      ILE  54   2.709  -1.163  -0.923
  443   1HD1  ILE  54          1HD1      ILE  54   1.796  -1.820  -3.460
  444   2HD1  ILE  54          2HD1      ILE  54   1.264  -0.483  -2.416
  445   3HD1  ILE  54          3HD1      ILE  54   1.156  -0.336  -4.194
  446    H    SER  55           H        SER  55   6.645   0.595  -0.415
  447    HA   SER  55           HA       SER  55   7.894  -2.028   0.309
  448   1HB   SER  55          2HB       SER  55   9.613  -0.534  -0.613
  449   2HB   SER  55          3HB       SER  55   9.137   0.749   0.517
  450    HG   SER  55           HG       SER  55   9.947  -0.417   2.182
  451    H    ALA  56           H        ALA  56   7.289  -2.664   2.321
  452    HA   ALA  56           HA       ALA  56   6.458  -0.627   4.296
  453   1HB   ALA  56          1HB       ALA  56   4.406  -1.600   3.260
  454   2HB   ALA  56          2HB       ALA  56   4.956  -3.212   3.792
  455   3HB   ALA  56          3HB       ALA  56   4.553  -1.973   4.990
  456    H    GLU  57           H        GLU  57   6.906  -1.109   6.404
  457    HA   GLU  57           HA       GLU  57   8.147  -3.711   7.097
  458   1HB   GLU  57          2HB       GLU  57   9.578  -1.215   6.851
  459   2HB   GLU  57          3HB       GLU  57   9.473  -1.590   8.565
  460   1HG   GLU  57          2HG       GLU  57  10.476  -3.528   6.434
  461   2HG   GLU  57          3HG       GLU  57  11.507  -2.472   7.392
  462    H    LEU  58           H        LEU  58   8.003  -4.277   9.248
  463    HA   LEU  58           HA       LEU  58   5.854  -2.914  10.831
  464   1HB   LEU  58          2HB       LEU  58   4.913  -4.791   9.474
  465   2HB   LEU  58          3HB       LEU  58   6.115  -5.870  10.178
  466    HG   LEU  58           HG       LEU  58   5.090  -5.399  12.469
  467   1HD1  LEU  58          1HD1      LEU  58   3.897  -3.344  12.106
  468   2HD1  LEU  58          2HD1      LEU  58   3.024  -4.023  10.708
  469   3HD1  LEU  58          3HD1      LEU  58   2.667  -4.590  12.341
  470   1HD2  LEU  58          1HD2      LEU  58   3.268  -6.609  10.359
  471   2HD2  LEU  58          2HD2      LEU  58   4.604  -7.445  11.192
  472   3HD2  LEU  58          3HD2      LEU  58   3.196  -6.906  12.114
  473    H    TYR  59           H        TYR  59   7.010  -2.181  12.568
  474    HA   TYR  59           HA       TYR  59   9.155  -3.911  13.650
  475   1HB   TYR  59          2HB       TYR  59   8.346  -1.120  14.495
  476   2HB   TYR  59          3HB       TYR  59   9.803  -1.997  14.937
  477    HD1  TYR  59           HD1      TYR  59   8.490   0.446  12.756
  478    HD2  TYR  59           HD2      TYR  59  11.211  -2.902  12.752
  479    HE1  TYR  59           HE1      TYR  59   9.660   1.417  10.842
  480    HE2  TYR  59           HE2      TYR  59  12.348  -1.956  10.751
  481    HH   TYR  59           HH       TYR  59  11.375   1.258   9.346
  482    H    LEU  60           H        LEU  60   8.356  -5.508  14.789
  483    HA   LEU  60           HA       LEU  60   6.073  -5.292  16.629
  484   1HB   LEU  60          2HB       LEU  60   8.079  -7.435  15.821
  485   2HB   LEU  60          3HB       LEU  60   7.029  -7.693  17.200
  486    HG   LEU  60           HG       LEU  60   5.789  -6.912  14.548
  487   1HD1  LEU  60          1HD1      LEU  60   7.257  -8.819  14.024
  488   2HD1  LEU  60          2HD1      LEU  60   6.593  -9.732  15.397
  489   3HD1  LEU  60          3HD1      LEU  60   5.559  -9.313  14.006
  490   1HD2  LEU  60          1HD2      LEU  60   4.842  -8.756  16.795
  491   2HD2  LEU  60          2HD2      LEU  60   4.503  -7.029  16.755
  492   3HD2  LEU  60          3HD2      LEU  60   3.870  -8.076  15.467
  493    H    ASP  61           H        ASP  61   6.195  -5.536  18.857
  494    HA   ASP  61           HA       ASP  61   8.499  -4.478  20.270
  495   1HB   ASP  61          2HB       ASP  61   6.191  -4.332  21.125
  496   2HB   ASP  61          3HB       ASP  61   6.102  -6.096  21.218
  497    H    GLU  62           H        GLU  62   9.956  -5.590  21.627
  498    HA   GLU  62           HA       GLU  62  11.024  -8.088  20.523
  499   1HB   GLU  62          2HB       GLU  62  11.946  -6.344  22.846
  500   2HB   GLU  62          3HB       GLU  62  12.821  -7.744  22.209
  501   1HG   GLU  62          2HG       GLU  62  12.908  -6.628  19.961
  502   2HG   GLU  62          3HG       GLU  62  12.215  -5.175  20.694
  503    H    LEU  63           H        LEU  63   8.445  -8.149  21.776
  504    HA   LEU  63           HA       LEU  63   8.615 -10.389  23.662
  505   1HB   LEU  63          2HB       LEU  63   8.268  -7.606  24.434
  506   2HB   LEU  63          3HB       LEU  63   6.762  -8.427  24.746
  507    HG   LEU  63           HG       LEU  63   9.481  -9.401  25.741
  508   1HD1  LEU  63          1HD1      LEU  63   8.926  -7.204  26.700
  509   2HD1  LEU  63          2HD1      LEU  63   7.331  -7.805  27.195
  510   3HD1  LEU  63          3HD1      LEU  63   8.810  -8.477  27.929
  511   1HD2  LEU  63          1HD2      LEU  63   6.640 -10.165  26.557
  512   2HD2  LEU  63          2HD2      LEU  63   7.762 -11.188  25.642
  513   3HD2  LEU  63          3HD2      LEU  63   8.137 -10.758  27.319
  514    H    SER  64           H        SER  64   7.377  -9.295  20.882
  515    HA   SER  64           HA       SER  64   4.735 -10.657  21.187
  516   1HB   SER  64          2HB       SER  64   5.313  -8.045  19.723
  517   2HB   SER  64          3HB       SER  64   3.808  -8.978  19.603
  518    HG   SER  64           HG       SER  64   4.889  -7.899  21.998
  519    H    ASP  65           H        ASP  65   3.959 -11.702  19.269
  520    HA   ASP  65           HA       ASP  65   5.942 -12.217  17.121
  521   1HB   ASP  65          2HB       ASP  65   4.796 -14.277  19.053
  522   2HB   ASP  65          3HB       ASP  65   5.595 -14.671  17.533
  523    H    ALA  66           H        ALA  66   4.534 -11.271  15.703
  524    HA   ALA  66           HA       ALA  66   1.913 -12.463  15.110
  525   1HB   ALA  66          1HB       ALA  66   2.390 -10.025  14.854
  526   2HB   ALA  66          2HB       ALA  66   3.533 -10.413  13.543
  527   3HB   ALA  66          3HB       ALA  66   1.803 -10.778  13.369
  528    H    ASP  67           H        ASP  67   1.769 -12.790  12.411
  529    HA   ASP  67           HA       ASP  67   3.078 -15.303  12.170
  530   1HB   ASP  67          2HB       ASP  67   1.403 -13.787  10.124
  531   2HB   ASP  67          3HB       ASP  67   1.765 -15.510  10.100
  532    HA   PRO  68           HA       PRO  68   6.669 -14.143   9.833
  533   1HB   PRO  68          2HB       PRO  68   7.579 -16.557   8.963
  534   2HB   PRO  68          3HB       PRO  68   7.455 -16.142  10.694
  535   1HG   PRO  68          2HG       PRO  68   5.412 -17.649   9.020
  536   2HG   PRO  68          3HG       PRO  68   6.151 -18.157  10.576
  537   1HD   PRO  68          2HD       PRO  68   3.743 -16.906  10.497
  538   2HD   PRO  68          3HD       PRO  68   4.925 -16.551  11.793
  539    H    GLY  69           H        GLY  69   4.820 -13.139   8.484
  540   1HA   GLY  69          2HA       GLY  69   5.489 -12.993   5.745
  541   2HA   GLY  69          3HA       GLY  69   4.148 -14.139   5.869
  542    H    ILE  70           H        ILE  70   3.341 -12.250   8.368
  543    HA   ILE  70           HA       ILE  70   1.130 -11.205   7.210
  544    HB   ILE  70           HB       ILE  70   2.039 -11.568   9.684
  545   1HG1  ILE  70          2HG1      ILE  70  -0.202  -9.610   9.127
  546   2HG1  ILE  70          3HG1      ILE  70  -0.288 -11.376   8.971
  547   1HG2  ILE  70          1HG2      ILE  70   3.541  -9.573   9.682
  548   2HG2  ILE  70          2HG2      ILE  70   2.088  -8.535   9.593
  549   3HG2  ILE  70          3HG2      ILE  70   2.368  -9.578  10.993
  550   1HD1  ILE  70          1HD1      ILE  70   0.532 -11.493  11.409
  551   2HD1  ILE  70          2HD1      ILE  70   0.086  -9.775  11.505
  552   3HD1  ILE  70          3HD1      ILE  70  -1.138 -11.008  11.129
  553    H    VAL  71           H        VAL  71   4.231  -9.574   7.303
  554    HA   VAL  71           HA       VAL  71   3.252  -6.948   6.530
  555    HB   VAL  71           HB       VAL  71   6.067  -7.821   5.901
  556   1HG1  VAL  71          1HG1      VAL  71   5.319  -5.536   5.408
  557   2HG1  VAL  71          2HG1      VAL  71   4.899  -5.292   7.119
  558   3HG1  VAL  71          3HG1      VAL  71   6.591  -5.550   6.636
  559   1HG2  VAL  71          1HG2      VAL  71   5.077  -7.462   8.729
  560   2HG2  VAL  71          2HG2      VAL  71   5.917  -8.864   8.009
  561   3HG2  VAL  71          3HG2      VAL  71   6.786  -7.343   8.237
  562    H    ASP  72           H        ASP  72   5.020  -9.549   4.842
  563    HA   ASP  72           HA       ASP  72   5.016  -8.431   2.232
  564   1HB   ASP  72          2HB       ASP  72   6.432 -10.320   3.054
  565   2HB   ASP  72          3HB       ASP  72   5.012 -11.369   3.040
  566    H    GLU  73           H        GLU  73   2.656 -10.634   3.815
  567    HA   GLU  73           HA       GLU  73   0.805 -10.747   1.622
  568   1HB   GLU  73          2HB       GLU  73   0.365 -10.946   4.630
  569   2HB   GLU  73          3HB       GLU  73  -0.873 -11.245   3.409
  570   1HG   GLU  73          2HG       GLU  73   0.443 -13.102   2.463
  571   2HG   GLU  73          3HG       GLU  73   1.674 -12.872   3.717
  572    H    ALA  74           H        ALA  74   1.334  -8.167   4.089
  573    HA   ALA  74           HA       ALA  74  -1.154  -6.795   3.464
  574   1HB   ALA  74          1HB       ALA  74   0.330  -6.466   5.568
  575   2HB   ALA  74          2HB       ALA  74   1.371  -5.468   4.525
  576   3HB   ALA  74          3HB       ALA  74  -0.317  -5.014   4.778
  577    H    VAL  75           H        VAL  75   2.222  -6.635   2.248
  578    HA   VAL  75           HA       VAL  75   1.607  -4.407   0.500
  579    HB   VAL  75           HB       VAL  75   3.983  -6.175  -0.049
  580   1HG1  VAL  75          1HG1      VAL  75   3.302  -4.088  -1.401
  581   2HG1  VAL  75          2HG1      VAL  75   3.602  -3.156   0.067
  582   3HG1  VAL  75          3HG1      VAL  75   4.939  -4.031  -0.707
  583   1HG2  VAL  75          1HG2      VAL  75   3.617  -4.331   2.344
  584   2HG2  VAL  75          2HG2      VAL  75   4.335  -5.961   2.275
  585   3HG2  VAL  75          3HG2      VAL  75   5.223  -4.606   1.610
  586    H    ASP  76           H        ASP  76   1.943  -7.990  -0.133
  587    HA   ASP  76           HA       ASP  76   1.061  -7.876  -2.835
  588   1HB   ASP  76          2HB       ASP  76   1.914  -9.943  -1.926
  589   2HB   ASP  76          3HB       ASP  76   0.591 -10.025  -0.756
  590    H    ALA  77           H        ALA  77  -0.945  -7.863   0.211
  591    HA   ALA  77           HA       ALA  77  -3.425  -7.885  -1.203
  592   1HB   ALA  77          1HB       ALA  77  -3.280  -8.297   1.193
  593   2HB   ALA  77          2HB       ALA  77  -2.758  -6.623   1.486
  594   3HB   ALA  77          3HB       ALA  77  -4.388  -6.952   0.862
  595    H    ALA  78           H        ALA  78  -1.344  -5.067  -0.255
  596    HA   ALA  78           HA       ALA  78  -3.024  -3.119  -1.513
  597   1HB   ALA  78          1HB       ALA  78  -1.294  -2.459   0.022
  598   2HB   ALA  78          2HB       ALA  78  -0.009  -3.155  -0.988
  599   3HB   ALA  78          3HB       ALA  78  -0.897  -1.744  -1.550
  600    H    TYR  79           H        TYR  79  -0.293  -5.041  -2.927
  601    HA   TYR  79           HA       TYR  79  -0.504  -3.877  -5.534
  602   1HB   TYR  79          2HB       TYR  79   0.490  -6.600  -4.606
  603   2HB   TYR  79          3HB       TYR  79   0.586  -6.059  -6.261
  604    HD1  TYR  79           HD1      TYR  79   2.491  -6.311  -3.304
  605    HD2  TYR  79           HD2      TYR  79   1.658  -3.625  -6.596
  606    HE1  TYR  79           HE1      TYR  79   4.721  -5.246  -3.027
  607    HE2  TYR  79           HE2      TYR  79   3.869  -2.529  -6.264
  608    HH   TYR  79           HH       TYR  79   6.092  -3.430  -3.626
  609    H    ARG  80           H        ARG  80  -2.134  -6.792  -4.199
  610    HA   ARG  80           HA       ARG  80  -3.593  -7.515  -6.576
  611   1HB   ARG  80          2HB       ARG  80  -4.150  -8.009  -3.623
  612   2HB   ARG  80          3HB       ARG  80  -4.998  -8.815  -4.933
  613   1HG   ARG  80          2HG       ARG  80  -1.976  -9.063  -4.655
  614   2HG   ARG  80          3HG       ARG  80  -3.085 -10.025  -3.682
  615   1HD   ARG  80          2HD       ARG  80  -2.558 -11.428  -5.425
  616   2HD   ARG  80          3HD       ARG  80  -4.124 -10.782  -5.905
  617    HE   ARG  80           HE       ARG  80  -3.137  -9.668  -7.721
  618   1HH1  ARG  80          1HH2      ARG  80  -0.338 -10.544  -5.575
  619   2HH1  ARG  80          2HH2      ARG  80   0.668 -10.704  -6.964
  620   1HH2  ARG  80          1HH1      ARG  80  -1.620  -9.590  -9.312
  621   2HH2  ARG  80          2HH1      ARG  80   0.024 -10.091  -8.983
  622    H    SER  81           H        SER  81  -4.542  -5.493  -3.699
  623    HA   SER  81           HA       SER  81  -7.158  -4.915  -4.710
  624   1HB   SER  81          2HB       SER  81  -5.336  -3.386  -2.815
  625   2HB   SER  81          3HB       SER  81  -6.980  -2.858  -3.233
  626    HG   SER  81           HG       SER  81  -7.692  -4.970  -2.519
  627    H    LEU  82           H        LEU  82  -4.013  -3.150  -5.109
  628    HA   LEU  82           HA       LEU  82  -5.104  -1.090  -6.725
  629   1HB   LEU  82          2HB       LEU  82  -2.788  -1.287  -5.594
  630   2HB   LEU  82          3HB       LEU  82  -2.277  -2.222  -6.971
  631    HG   LEU  82           HG       LEU  82  -2.769  -0.286  -8.459
  632   1HD1  LEU  82          1HD1      LEU  82  -4.565   0.883  -7.293
  633   2HD1  LEU  82          2HD1      LEU  82  -3.557   1.118  -5.867
  634   3HD1  LEU  82          3HD1      LEU  82  -3.178   1.966  -7.381
  635   1HD2  LEU  82          1HD2      LEU  82  -0.996   0.266  -6.044
  636   2HD2  LEU  82          2HD2      LEU  82  -0.534  -0.519  -7.565
  637   3HD2  LEU  82          3HD2      LEU  82  -0.963   1.202  -7.553
  638    H    GLU  83           H        GLU  83  -3.660  -4.261  -7.718
  639    HA   GLU  83           HA       GLU  83  -3.951  -3.995 -10.535
  640   1HB   GLU  83          2HB       GLU  83  -2.686  -5.751  -9.502
  641   2HB   GLU  83          3HB       GLU  83  -4.043  -6.237  -8.500
  642   1HG   GLU  83          2HG       GLU  83  -5.201  -7.147 -10.519
  643   2HG   GLU  83          3HG       GLU  83  -3.737  -6.785 -11.452
  644    H    SER  84           H        SER  84  -6.349  -5.197  -8.090
  645    HA   SER  84           HA       SER  84  -8.445  -5.548  -9.987
  646   1HB   SER  84          2HB       SER  84  -9.866  -5.891  -8.140
  647   2HB   SER  84          3HB       SER  84  -8.282  -6.479  -7.627
  648    HG   SER  84           HG       SER  84  -8.103  -4.172  -6.693
  649    H    PHE  85           H        PHE  85  -7.424  -2.658  -8.238
  650    HA   PHE  85           HA       PHE  85  -9.797  -1.112  -8.892
  651   1HB   PHE  85          2HB       PHE  85  -8.397  -0.897  -6.833
  652   2HB   PHE  85          3HB       PHE  85  -7.074  -0.287  -7.812
  653    HD1  PHE  85           HD1      PHE  85  -7.021   2.015  -8.481
  654    HD2  PHE  85           HD2      PHE  85 -10.557   0.388  -6.674
  655    HE1  PHE  85           HE1      PHE  85  -7.813   4.324  -7.987
  656    HE2  PHE  85           HE2      PHE  85 -11.370   2.691  -6.175
  657    HZ   PHE  85           HZ       PHE  85  -9.980   4.660  -6.806
  658    H    LEU  86           H        LEU  86  -6.412  -1.223 -10.146
  659    HA   LEU  86           HA       LEU  86  -6.883   0.829 -12.142
  660   1HB   LEU  86          2HB       LEU  86  -4.670  -1.114 -11.518
  661   2HB   LEU  86          3HB       LEU  86  -4.727  -0.428 -13.120
  662    HG   LEU  86           HG       LEU  86  -3.239   0.778 -11.511
  663   1HD1  LEU  86          1HD1      LEU  86  -4.027   1.904 -13.545
  664   2HD1  LEU  86          2HD1      LEU  86  -5.481   2.471 -12.700
  665   3HD1  LEU  86          3HD1      LEU  86  -3.878   3.044 -12.207
  666   1HD2  LEU  86          1HD2      LEU  86  -5.785   1.934 -10.326
  667   2HD2  LEU  86          2HD2      LEU  86  -4.802   0.680  -9.540
  668   3HD2  LEU  86          3HD2      LEU  86  -4.108   2.282  -9.860
  669    H    ASP  87           H        ASP  87  -7.381  -2.726 -12.139
  670    HA   ASP  87           HA       ASP  87  -8.052  -2.918 -14.900
  671   1HB   ASP  87          2HB       ASP  87  -9.121  -4.343 -12.440
  672   2HB   ASP  87          3HB       ASP  87  -9.680  -4.708 -14.069
  673    H    GLY  88           H        GLY  88  -9.723  -1.125 -12.330
  674   1HA   GLY  88          2HA       GLY  88 -12.175  -0.802 -13.932
  675   2HA   GLY  88          3HA       GLY  88 -11.778  -0.045 -12.384
  676    H    PHE  89           H        PHE  89  -9.087   0.501 -14.240
  677    HA   PHE  89           HA       PHE  89 -10.114   3.041 -15.447
  678   1HB   PHE  89          2HB       PHE  89  -7.815   2.664 -13.504
  679   2HB   PHE  89          3HB       PHE  89  -8.089   4.149 -14.408
  680    HD1  PHE  89           HD1      PHE  89 -10.613   5.089 -14.265
  681    HD2  PHE  89           HD2      PHE  89  -8.658   2.676 -11.274
  682    HE1  PHE  89           HE1      PHE  89 -12.264   5.845 -12.583
  683    HE2  PHE  89           HE2      PHE  89 -10.352   3.378  -9.614
  684    HZ   PHE  89           HZ       PHE  89 -12.149   4.973 -10.246
  685    H    ARG  90           H        ARG  90  -8.281   0.287 -16.042
  686    HA   ARG  90           HA       ARG  90  -6.952   1.586 -18.420
  687   1HB   ARG  90          2HB       ARG  90  -5.857  -0.438 -16.450
  688   2HB   ARG  90          3HB       ARG  90  -5.153  -0.064 -18.036
  689   1HG   ARG  90          2HG       ARG  90  -4.378   2.057 -17.287
  690   2HG   ARG  90          3HG       ARG  90  -5.214   1.878 -15.729
  691   1HD   ARG  90          2HD       ARG  90  -2.740   1.307 -15.639
  692   2HD   ARG  90          3HD       ARG  90  -3.800   0.025 -15.076
  693    HE   ARG  90           HE       ARG  90  -2.193   0.031 -17.570
  694   1HH1  ARG  90          1HH2      ARG  90  -4.331  -1.991 -15.518
  695   2HH1  ARG  90          2HH2      ARG  90  -4.696  -2.984 -16.935
  696   1HH2  ARG  90          1HH1      ARG  90  -2.652  -1.612 -19.139
  697   2HH2  ARG  90          2HH1      ARG  90  -3.880  -2.790 -18.671
  698    H    GLU  91           H        GLU  91  -7.834  -1.513 -16.900
  699    HA   GLU  91           HA       GLU  91  -7.996  -3.646 -17.636
  700   1HB   GLU  91          2HB       GLU  91  -9.925  -2.496 -18.890
  701   2HB   GLU  91          3HB       GLU  91  -8.935  -2.652 -20.338
  702   1HG   GLU  91          2HG       GLU  91  -8.835  -5.143 -19.931
  703   2HG   GLU  91          3HG       GLU  91  -9.860  -4.920 -18.515
  Start of MODEL   13
    1    H    MET   1           H1       MET   1 -16.458   8.736 -16.085
    2    HA   MET   1           HA       MET   1 -14.277   8.586 -17.047
    3   1HB   MET   1          2HB       MET   1 -13.906  11.359 -15.816
    4   2HB   MET   1          3HB       MET   1 -12.637  10.387 -16.571
    5   1HG   MET   1          2HG       MET   1 -13.703  10.569 -18.748
    6   2HG   MET   1          3HG       MET   1 -15.128  11.330 -18.039
    7   1HE   MET   1          1HE       MET   1 -11.226  12.104 -17.416
    8   2HE   MET   1          2HE       MET   1 -11.417  11.803 -19.163
    9   3HE   MET   1          3HE       MET   1 -11.042  13.437 -18.575
   10    H    SER   2           H        SER   2 -13.162   7.117 -15.667
   11    HA   SER   2           HA       SER   2 -13.819   6.973 -12.919
   12   1HB   SER   2          2HB       SER   2 -11.360   5.824 -14.289
   13   2HB   SER   2          3HB       SER   2 -12.072   5.301 -12.753
   14    HG   SER   2           HG       SER   2 -12.860   3.910 -14.257
   15    H    LEU   3           H        LEU   3 -11.128   8.681 -14.524
   16    HA   LEU   3           HA       LEU   3 -10.286   9.869 -11.973
   17   1HB   LEU   3          2HB       LEU   3  -8.007   9.308 -12.445
   18   2HB   LEU   3          3HB       LEU   3  -8.976   7.855 -12.420
   19    HG   LEU   3           HG       LEU   3  -8.198   9.193 -15.029
   20   1HD1  LEU   3          1HD1      LEU   3  -6.151   8.666 -13.715
   21   2HD1  LEU   3          2HD1      LEU   3  -6.713   6.991 -13.505
   22   3HD1  LEU   3          3HD1      LEU   3  -6.297   7.596 -15.118
   23   1HD2  LEU   3          1HD2      LEU   3  -9.038   6.341 -14.379
   24   2HD2  LEU   3          2HD2      LEU   3  -9.901   7.512 -15.414
   25   3HD2  LEU   3          3HD2      LEU   3  -8.361   6.853 -15.927
   26    H    ARG   4           H        ARG   4  -8.277  11.371 -12.652
   27    HA   ARG   4           HA       ARG   4  -9.321  13.344 -14.644
   28   1HB   ARG   4          2HB       ARG   4  -7.907  13.661 -11.948
   29   2HB   ARG   4          3HB       ARG   4  -8.159  15.001 -13.070
   30   1HG   ARG   4          2HG       ARG   4 -10.597  14.680 -12.981
   31   2HG   ARG   4          3HG       ARG   4 -10.398  13.330 -11.845
   32   1HD   ARG   4          2HD       ARG   4  -9.389  14.797 -10.186
   33   2HD   ARG   4          3HD       ARG   4  -9.416  16.163 -11.324
   34    HE   ARG   4           HE       ARG   4 -12.057  15.172 -11.081
   35   1HH1  ARG   4          1HH2      ARG   4  -9.747  16.796  -9.015
   36   2HH1  ARG   4          2HH2      ARG   4 -10.971  17.636  -8.104
   37   1HH2  ARG   4          1HH1      ARG   4 -13.613  16.271  -9.889
   38   2HH2  ARG   4          2HH1      ARG   4 -13.128  17.331  -8.601
   39    H    LYS   5           H        LYS   5  -7.371  15.007 -15.040
   40    HA   LYS   5           HA       LYS   5  -5.241  13.693 -16.510
   41   1HB   LYS   5          2HB       LYS   5  -5.730  16.536 -15.522
   42   2HB   LYS   5          3HB       LYS   5  -4.216  16.084 -16.291
   43   1HG   LYS   5          2HG       LYS   5  -6.920  15.703 -17.644
   44   2HG   LYS   5          3HG       LYS   5  -5.933  17.165 -17.794
   45   1HD   LYS   5          2HD       LYS   5  -4.039  15.792 -18.669
   46   2HD   LYS   5          3HD       LYS   5  -5.086  14.356 -18.635
   47   1HE   LYS   5          2HE       LYS   5  -6.663  15.452 -20.184
   48   2HE   LYS   5          3HE       LYS   5  -5.666  16.915 -20.185
   49   1HZ   LYS   5          1HZ       LYS   5  -3.867  15.620 -21.151
   50   2HZ   LYS   5          2HZ       LYS   5  -4.784  14.257 -21.150
   51   3HZ   LYS   5          3HZ       LYS   5  -5.200  15.527 -22.109
   52    H    LEU   6           H        LEU   6  -3.752  12.502 -15.528
   53    HA   LEU   6           HA       LEU   6  -3.426  12.537 -12.734
   54   1HB   LEU   6          2HB       LEU   6  -1.660  11.174 -14.819
   55   2HB   LEU   6          3HB       LEU   6  -1.722  10.841 -13.098
   56    HG   LEU   6           HG       LEU   6  -4.297  10.356 -13.572
   57   1HD1  LEU   6          1HD1      LEU   6  -4.400  10.886 -15.958
   58   2HD1  LEU   6          2HD1      LEU   6  -2.991   9.846 -16.290
   59   3HD1  LEU   6          3HD1      LEU   6  -4.537   9.151 -15.775
   60   1HD2  LEU   6          1HD2      LEU   6  -2.036   8.449 -14.335
   61   2HD2  LEU   6          2HD2      LEU   6  -2.658   8.733 -12.693
   62   3HD2  LEU   6          3HD2      LEU   6  -3.693   7.969 -13.905
   63    H    THR   7           H        THR   7  -2.303  13.827 -11.507
   64    HA   THR   7           HA       THR   7   0.496  14.535 -12.209
   65    HB   THR   7           HB       THR   7  -0.934  16.431 -12.876
   66    HG1  THR   7           1HG      THR   7   0.264  17.944 -11.800
   67   1HG2  THR   7          1HG2      THR   7  -2.784  16.264 -11.259
   68   2HG2  THR   7          2HG2      THR   7  -1.677  16.655  -9.926
   69   3HG2  THR   7          3HG2      THR   7  -2.017  17.855 -11.190
   70    H    GLU   8           H        GLU   8   1.188  15.870 -10.002
   71    HA   GLU   8           HA       GLU   8   1.867  13.895  -8.220
   72   1HB   GLU   8          2HB       GLU   8   1.473  16.775  -7.352
   73   2HB   GLU   8          3HB       GLU   8   2.617  15.600  -6.709
   74   1HG   GLU   8          2HG       GLU   8   2.696  16.946  -9.444
   75   2HG   GLU   8          3HG       GLU   8   3.757  17.253  -8.082
   76    H    GLY   9           H        GLY   9  -1.038  15.958  -7.939
   77   1HA   GLY   9          2HA       GLY   9  -1.914  15.098  -5.372
   78   2HA   GLY   9          3HA       GLY   9  -2.936  15.766  -6.655
   79    H    ASP  10           H        ASP  10  -2.821  13.772  -8.660
   80    HA   ASP  10           HA       ASP  10  -4.596  11.763  -7.656
   81   1HB   ASP  10          2HB       ASP  10  -2.916  11.540 -10.178
   82   2HB   ASP  10          3HB       ASP  10  -4.486  10.820  -9.846
   83    H    LEU  11           H        LEU  11  -1.110  11.772  -8.447
   84    HA   LEU  11           HA       LEU  11  -0.639   9.005  -7.788
   85   1HB   LEU  11          2HB       LEU  11   1.098  11.408  -8.322
   86   2HB   LEU  11          3HB       LEU  11   1.807   9.939  -7.693
   87    HG   LEU  11           HG       LEU  11   1.077   8.649  -9.598
   88   1HD1  LEU  11          1HD1      LEU  11  -1.035   9.659 -10.272
   89   2HD1  LEU  11          2HD1      LEU  11  -0.185  11.140 -10.783
   90   3HD1  LEU  11          3HD1      LEU  11   0.091   9.605 -11.629
   91   1HD2  LEU  11          1HD2      LEU  11   2.366  11.247 -10.512
   92   2HD2  LEU  11          2HD2      LEU  11   3.208   9.884  -9.746
   93   3HD2  LEU  11          3HD2      LEU  11   2.462   9.673 -11.338
   94    H    ASP  12           H        ASP  12  -0.350  11.987  -5.773
   95    HA   ASP  12           HA       ASP  12   0.491  10.619  -3.393
   96   1HB   ASP  12          2HB       ASP  12  -1.023  13.216  -3.881
   97   2HB   ASP  12          3HB       ASP  12  -0.652  12.628  -2.266
   98    H    GLU  13           H        GLU  13  -2.837  11.420  -4.617
   99    HA   GLU  13           HA       GLU  13  -4.217  10.294  -2.400
  100   1HB   GLU  13          2HB       GLU  13  -5.187  11.803  -4.116
  101   2HB   GLU  13          3HB       GLU  13  -5.133  10.489  -5.299
  102   1HG   GLU  13          2HG       GLU  13  -6.697   9.165  -3.924
  103   2HG   GLU  13          3HG       GLU  13  -6.662  10.400  -2.662
  104    H    ILE  14           H        ILE  14  -3.234   8.737  -5.503
  105    HA   ILE  14           HA       ILE  14  -4.158   6.105  -4.788
  106    HB   ILE  14           HB       ILE  14  -2.039   7.094  -6.722
  107   1HG1  ILE  14          2HG1      ILE  14  -4.787   5.860  -7.250
  108   2HG1  ILE  14          3HG1      ILE  14  -4.536   7.592  -7.105
  109   1HG2  ILE  14          1HG2      ILE  14  -1.393   4.811  -6.099
  110   2HG2  ILE  14          2HG2      ILE  14  -3.061   4.243  -6.336
  111   3HG2  ILE  14          3HG2      ILE  14  -2.080   4.785  -7.714
  112   1HD1  ILE  14          1HD1      ILE  14  -2.918   7.513  -9.020
  113   2HD1  ILE  14          2HD1      ILE  14  -3.353   5.800  -9.257
  114   3HD1  ILE  14          3HD1      ILE  14  -4.582   7.057  -9.435
  115    H    SER  15           H        SER  15  -0.944   7.699  -4.313
  116    HA   SER  15           HA       SER  15   0.295   5.476  -3.064
  117   1HB   SER  15          2HB       SER  15   0.835   8.424  -2.557
  118   2HB   SER  15          3HB       SER  15   1.906   7.066  -2.152
  119    HG   SER  15           HG       SER  15   1.091   8.017  -4.699
  120    H    SER  16           H        SER  16  -1.761   8.047  -1.620
  121    HA   SER  16           HA       SER  16  -1.545   6.986   1.065
  122   1HB   SER  16          2HB       SER  16  -2.464   9.282   0.414
  123   2HB   SER  16          3HB       SER  16  -3.983   8.453   0.021
  124    HG   SER  16           HG       SER  16  -3.890   7.593   2.289
  125    H    PHE  17           H        PHE  17  -3.980   6.384  -1.608
  126    HA   PHE  17           HA       PHE  17  -5.573   4.586  -0.121
  127   1HB   PHE  17          2HB       PHE  17  -6.253   5.437  -2.283
  128   2HB   PHE  17          3HB       PHE  17  -4.900   4.652  -3.080
  129    HD1  PHE  17           HD1      PHE  17  -5.370   2.689  -4.262
  130    HD2  PHE  17           HD2      PHE  17  -7.766   3.681  -0.815
  131    HE1  PHE  17           HE1      PHE  17  -6.752   0.660  -4.637
  132    HE2  PHE  17           HE2      PHE  17  -9.139   1.648  -1.190
  133    HZ   PHE  17           HZ       PHE  17  -8.637   0.139  -3.102
  134    H    LEU  18           H        LEU  18  -2.554   3.892  -1.916
  135    HA   LEU  18           HA       LEU  18  -2.431   1.088  -1.260
  136   1HB   LEU  18          2HB       LEU  18  -0.330   3.192  -1.930
  137   2HB   LEU  18          3HB       LEU  18   0.062   1.489  -1.723
  138    HG   LEU  18           HG       LEU  18  -1.990   2.468  -3.767
  139   1HD1  LEU  18          1HD1      LEU  18   0.160   3.472  -4.308
  140   2HD1  LEU  18          2HD1      LEU  18   0.977   1.900  -4.143
  141   3HD1  LEU  18          3HD1      LEU  18  -0.205   2.178  -5.446
  142   1HD2  LEU  18          1HD2      LEU  18  -0.530  -0.164  -3.338
  143   2HD2  LEU  18          2HD2      LEU  18  -2.282   0.125  -3.288
  144   3HD2  LEU  18          3HD2      LEU  18  -1.395   0.253  -4.810
  145    H    HIS  19           H        HIS  19  -0.853   3.929   0.387
  146    HA   HIS  19           HA       HIS  19   0.309   2.427   2.485
  147   1HB   HIS  19          2HB       HIS  19   0.923   4.720   1.894
  148   2HB   HIS  19          3HB       HIS  19  -0.663   5.305   2.383
  149    HD1  HIS  19           HD1      HIS  19   0.854   6.966   3.980
  150    HD2  HIS  19           HD2      HIS  19   0.811   2.881   4.932
  151    HE1  HIS  19           HE1      HIS  19   1.719   6.758   6.379
  152    H    ASN  20           H        ASN  20  -2.886   4.060   2.418
  153    HA   ASN  20           HA       ASN  20  -3.777   3.262   5.009
  154   1HB   ASN  20          2HB       ASN  20  -5.249   4.016   2.436
  155   2HB   ASN  20          3HB       ASN  20  -6.067   3.680   3.960
  156   1HD2  ASN  20          2HD2      ASN  20  -5.344   5.007   5.896
  157   2HD2  ASN  20          1HD2      ASN  20  -4.955   6.693   5.548
  158    H    THR  21           H        THR  21  -4.101   1.614   1.785
  159    HA   THR  21           HA       THR  21  -5.665  -0.564   2.738
  160    HB   THR  21           HB       THR  21  -3.568  -0.609   0.515
  161    HG1  THR  21           1HG      THR  21  -5.157   0.877   0.044
  162   1HG2  THR  21          1HG2      THR  21  -4.154  -2.902   1.135
  163   2HG2  THR  21          2HG2      THR  21  -5.886  -2.489   1.137
  164   3HG2  THR  21          3HG2      THR  21  -4.958  -2.492  -0.375
  165    H    ILE  22           H        ILE  22  -2.057  -0.269   2.525
  166    HA   ILE  22           HA       ILE  22  -1.551  -2.836   3.714
  167    HB   ILE  22           HB       ILE  22   0.153  -0.322   3.735
  168   1HG1  ILE  22          2HG1      ILE  22   0.105  -2.712   1.855
  169   2HG1  ILE  22          3HG1      ILE  22  -0.312  -1.045   1.467
  170   1HG2  ILE  22          1HG2      ILE  22   0.797  -2.165   5.452
  171   2HG2  ILE  22          2HG2      ILE  22   1.201  -3.166   4.043
  172   3HG2  ILE  22          3HG2      ILE  22   2.040  -1.649   4.340
  173   1HD1  ILE  22          1HD1      ILE  22   2.147  -0.518   2.247
  174   2HD1  ILE  22          2HD1      ILE  22   2.374  -2.260   1.933
  175   3HD1  ILE  22          3HD1      ILE  22   1.797  -1.184   0.620
  176    H    SER  23           H        SER  23  -1.735   0.456   5.211
  177    HA   SER  23           HA       SER  23  -1.154  -0.358   7.852
  178   1HB   SER  23          2HB       SER  23  -1.178   1.975   6.982
  179   2HB   SER  23          3HB       SER  23  -2.956   1.934   6.988
  180    HG   SER  23           HG       SER  23  -1.976   2.820   8.919
  181    H    ASP  24           H        ASP  24  -4.425  -0.016   6.308
  182    HA   ASP  24           HA       ASP  24  -5.866  -0.945   8.605
  183   1HB   ASP  24          2HB       ASP  24  -6.565  -0.943   5.643
  184   2HB   ASP  24          3HB       ASP  24  -7.695  -1.352   6.934
  185    H    PHE  25           H        PHE  25  -4.450  -2.754   5.806
  186    HA   PHE  25           HA       PHE  25  -5.519  -5.276   6.657
  187   1HB   PHE  25          2HB       PHE  25  -4.549  -4.629   4.372
  188   2HB   PHE  25          3HB       PHE  25  -2.951  -4.830   5.066
  189    HD1  PHE  25           HD1      PHE  25  -5.428  -6.360   3.145
  190    HD2  PHE  25           HD2      PHE  25  -2.599  -7.283   6.271
  191    HE1  PHE  25           HE1      PHE  25  -5.542  -8.771   2.554
  192    HE2  PHE  25           HE2      PHE  25  -2.788  -9.682   5.734
  193    HZ   PHE  25           HZ       PHE  25  -4.240 -10.438   3.870
  194    H    ILE  26           H        ILE  26  -2.427  -3.578   7.504
  195    HA   ILE  26           HA       ILE  26  -1.393  -5.688   9.141
  196    HB   ILE  26           HB       ILE  26  -1.000  -2.681   8.980
  197   1HG1  ILE  26          2HG1      ILE  26   0.907  -5.013   8.467
  198   2HG1  ILE  26          3HG1      ILE  26  -0.084  -4.279   7.213
  199   1HG2  ILE  26          1HG2      ILE  26  -0.715  -3.188  11.313
  200   2HG2  ILE  26          2HG2      ILE  26   0.262  -4.627  10.938
  201   3HG2  ILE  26          3HG2      ILE  26   0.877  -2.986  10.614
  202   1HD1  ILE  26          1HD1      ILE  26   0.987  -2.059   7.697
  203   2HD1  ILE  26          2HD1      ILE  26   2.112  -2.892   8.779
  204   3HD1  ILE  26          3HD1      ILE  26   2.091  -3.306   7.061
  205    H    LEU  27           H        LEU  27  -3.396  -2.768   9.985
  206    HA   LEU  27           HA       LEU  27  -3.722  -3.461  12.704
  207   1HB   LEU  27          2HB       LEU  27  -5.070  -1.622  10.767
  208   2HB   LEU  27          3HB       LEU  27  -6.007  -2.072  12.180
  209    HG   LEU  27           HG       LEU  27  -4.284  -1.284  13.699
  210   1HD1  LEU  27          1HD1      LEU  27  -2.226  -1.637  12.387
  211   2HD1  LEU  27          2HD1      LEU  27  -2.728  -0.372  11.243
  212   3HD1  LEU  27          3HD1      LEU  27  -2.353   0.039  12.926
  213   1HD2  LEU  27          1HD2      LEU  27  -4.976   0.768  11.556
  214   2HD2  LEU  27          2HD2      LEU  27  -6.028   0.271  12.900
  215   3HD2  LEU  27          3HD2      LEU  27  -4.510   1.123  13.235
  216    H    LYS  28           H        LYS  28  -5.646  -4.677   9.933
  217    HA   LYS  28           HA       LYS  28  -7.396  -6.127  11.772
  218   1HB   LYS  28          2HB       LYS  28  -8.637  -6.814   9.952
  219   2HB   LYS  28          3HB       LYS  28  -8.007  -5.237   9.475
  220   1HG   LYS  28          2HG       LYS  28  -7.765  -6.372   7.552
  221   2HG   LYS  28          3HG       LYS  28  -6.177  -6.516   8.269
  222   1HD   LYS  28          2HD       LYS  28  -6.918  -8.870   9.074
  223   2HD   LYS  28          3HD       LYS  28  -8.310  -8.664   8.014
  224   1HE   LYS  28          2HE       LYS  28  -5.374  -8.416   7.202
  225   2HE   LYS  28          3HE       LYS  28  -6.336  -9.886   6.993
  226   1HZ   LYS  28          1HZ       LYS  28  -7.757  -8.712   5.478
  227   2HZ   LYS  28          2HZ       LYS  28  -6.997  -7.278   5.778
  228   3HZ   LYS  28          3HZ       LYS  28  -6.187  -8.471   5.007
  229    H    ARG  29           H        ARG  29  -4.225  -6.859  10.585
  230    HA   ARG  29           HA       ARG  29  -4.562  -9.749  11.302
  231   1HB   ARG  29          2HB       ARG  29  -2.652  -8.203   9.564
  232   2HB   ARG  29          3HB       ARG  29  -1.983  -9.564  10.435
  233   1HG   ARG  29          2HG       ARG  29  -4.426  -9.794   8.674
  234   2HG   ARG  29          3HG       ARG  29  -2.783 -10.096   8.116
  235   1HD   ARG  29          2HD       ARG  29  -3.511 -11.578  10.591
  236   2HD   ARG  29          3HD       ARG  29  -4.510 -11.985   9.194
  237    HE   ARG  29           HE       ARG  29  -2.260 -12.345   7.954
  238   1HH1  ARG  29          1HH2      ARG  29  -2.554 -13.119  11.459
  239   2HH1  ARG  29          2HH2      ARG  29  -1.209 -14.277  11.274
  240   1HH2  ARG  29          1HH1      ARG  29  -0.585 -13.879   8.035
  241   2HH2  ARG  29          2HH1      ARG  29  -0.275 -14.653   9.633
  242    H    VAL  30           H        VAL  30  -2.853  -6.859  12.404
  243    HA   VAL  30           HA       VAL  30  -2.007  -8.263  14.897
  244    HB   VAL  30           HB       VAL  30  -0.229  -6.476  13.182
  245   1HG1  VAL  30          1HG1      VAL  30   0.256  -6.381  15.635
  246   2HG1  VAL  30          2HG1      VAL  30   0.427  -8.146  15.657
  247   3HG1  VAL  30          3HG1      VAL  30   1.564  -7.136  14.732
  248   1HG2  VAL  30          1HG2      VAL  30  -0.100  -9.480  13.561
  249   2HG2  VAL  30          2HG2      VAL  30  -0.357  -8.590  12.038
  250   3HG2  VAL  30          3HG2      VAL  30   1.201  -8.491  12.854
  251    H    SER  31           H        SER  31  -2.031  -6.899  16.717
  252    HA   SER  31           HA       SER  31  -3.733  -4.558  16.428
  253   1HB   SER  31          2HB       SER  31  -3.880  -6.195  18.322
  254   2HB   SER  31          3HB       SER  31  -2.296  -5.627  18.888
  255    HG   SER  31           HG       SER  31  -4.775  -4.358  18.912
  256    H    ALA  32           H        ALA  32  -3.206  -2.452  16.439
  257    HA   ALA  32           HA       ALA  32  -0.671  -1.279  16.481
  258   1HB   ALA  32          1HB       ALA  32  -2.744  -0.129  15.820
  259   2HB   ALA  32          2HB       ALA  32  -3.316  -0.165  17.507
  260   3HB   ALA  32          3HB       ALA  32  -1.877   0.783  17.071
  261    H    LYS  33           H        LYS  33  -2.429  -2.679  19.199
  262    HA   LYS  33           HA       LYS  33  -0.905  -1.367  21.307
  263   1HB   LYS  33          2HB       LYS  33  -3.219  -2.338  21.527
  264   2HB   LYS  33          3HB       LYS  33  -2.519  -3.956  21.357
  265   1HG   LYS  33          2HG       LYS  33  -1.215  -3.641  23.417
  266   2HG   LYS  33          3HG       LYS  33  -1.789  -1.965  23.551
  267   1HD   LYS  33          2HD       LYS  33  -4.099  -2.786  23.853
  268   2HD   LYS  33          3HD       LYS  33  -3.539  -4.464  23.636
  269   1HE   LYS  33          2HE       LYS  33  -2.013  -4.184  25.590
  270   2HE   LYS  33          3HE       LYS  33  -2.624  -2.541  25.825
  271   1HZ   LYS  33          1HZ       LYS  33  -4.824  -3.486  26.204
  272   2HZ   LYS  33          2HZ       LYS  33  -4.249  -5.011  25.982
  273   3HZ   LYS  33          3HZ       LYS  33  -3.743  -4.122  27.270
  274    H    GLU  34           H        GLU  34  -0.165  -4.090  19.195
  275    HA   GLU  34           HA       GLU  34   2.092  -4.854  21.020
  276   1HB   GLU  34          2HB       GLU  34   1.900  -7.071  20.384
  277   2HB   GLU  34          3HB       GLU  34   0.246  -6.531  20.624
  278   1HG   GLU  34          2HG       GLU  34   0.366  -6.101  17.995
  279   2HG   GLU  34          3HG       GLU  34   1.686  -7.253  18.069
  280    H    ILE  35           H        ILE  35   1.350  -3.394  18.089
  281    HA   ILE  35           HA       ILE  35   4.032  -3.658  16.873
  282    HB   ILE  35           HB       ILE  35   1.434  -2.241  16.186
  283   1HG1  ILE  35          2HG1      ILE  35   3.109  -4.324  14.702
  284   2HG1  ILE  35          3HG1      ILE  35   1.735  -4.701  15.736
  285   1HG2  ILE  35          1HG2      ILE  35   3.279  -0.696  15.541
  286   2HG2  ILE  35          2HG2      ILE  35   4.010  -2.016  14.582
  287   3HG2  ILE  35          3HG2      ILE  35   2.421  -1.333  14.164
  288   1HD1  ILE  35          1HD1      ILE  35   0.227  -3.430  14.242
  289   2HD1  ILE  35          2HD1      ILE  35   1.604  -3.092  13.156
  290   3HD1  ILE  35          3HD1      ILE  35   1.079  -4.747  13.405
  291    H    VAL  36           H        VAL  36   5.648  -2.279  17.314
  292    HA   VAL  36           HA       VAL  36   5.326   0.007  19.169
  293    HB   VAL  36           HB       VAL  36   7.652  -1.329  17.741
  294   1HG1  VAL  36          1HG1      VAL  36   8.199   1.015  17.480
  295   2HG1  VAL  36          2HG1      VAL  36   7.764   1.355  19.173
  296   3HG1  VAL  36          3HG1      VAL  36   9.177   0.343  18.787
  297   1HG2  VAL  36          1HG2      VAL  36   7.205  -0.605  20.672
  298   2HG2  VAL  36          2HG2      VAL  36   6.729  -2.148  19.953
  299   3HG2  VAL  36          3HG2      VAL  36   8.444  -1.690  19.996
  300    H    ASP  37           H        ASP  37   6.161  -0.586  15.704
  301    HA   ASP  37           HA       ASP  37   4.568   1.667  14.941
  302   1HB   ASP  37          2HB       ASP  37   7.053   2.532  15.695
  303   2HB   ASP  37          3HB       ASP  37   7.385   2.147  14.013
  304    H    ILE  38           H        ILE  38   4.952   2.210  12.540
  305    HA   ILE  38           HA       ILE  38   5.890  -0.092  10.941
  306    HB   ILE  38           HB       ILE  38   4.003   0.256   9.302
  307   1HG1  ILE  38          2HG1      ILE  38   1.761   0.776  10.255
  308   2HG1  ILE  38          3HG1      ILE  38   2.518   1.480  11.676
  309   1HG2  ILE  38          1HG2      ILE  38   4.298  -1.718  10.712
  310   2HG2  ILE  38          2HG2      ILE  38   3.306  -0.977  11.982
  311   3HG2  ILE  38          3HG2      ILE  38   2.594  -1.367  10.398
  312   1HD1  ILE  38          1HD1      ILE  38   3.064   2.505   8.857
  313   2HD1  ILE  38          2HD1      ILE  38   1.674   3.043   9.818
  314   3HD1  ILE  38          3HD1      ILE  38   3.303   3.350  10.414
  315    H    ASP  39           H        ASP  39   6.826   0.389   9.036
  316    HA   ASP  39           HA       ASP  39   6.889   3.269   8.218
  317   1HB   ASP  39          2HB       ASP  39   9.230   1.335   8.259
  318   2HB   ASP  39          3HB       ASP  39   9.153   2.734   7.198
  319    H    ILE  40           H        ILE  40   6.111   3.531   6.221
  320    HA   ILE  40           HA       ILE  40   5.980   1.208   4.378
  321    HB   ILE  40           HB       ILE  40   3.636   2.934   5.240
  322   1HG1  ILE  40          2HG1      ILE  40   3.840  -0.076   4.870
  323   2HG1  ILE  40          3HG1      ILE  40   4.263   0.688   6.406
  324   1HG2  ILE  40          1HG2      ILE  40   3.590   2.924   2.787
  325   2HG2  ILE  40          2HG2      ILE  40   3.914   1.171   2.751
  326   3HG2  ILE  40          3HG2      ILE  40   2.370   1.795   3.360
  327   1HD1  ILE  40          1HD1      ILE  40   1.969   1.559   6.621
  328   2HD1  ILE  40          2HD1      ILE  40   1.537   0.675   5.128
  329   3HD1  ILE  40          3HD1      ILE  40   2.080  -0.212   6.566
  330    H    THR  41           H        THR  41   6.736   1.677   2.488
  331    HA   THR  41           HA       THR  41   7.093   4.559   1.706
  332    HB   THR  41           HB       THR  41   8.938   2.196   1.162
  333    HG1  THR  41           1HG      THR  41   9.190   2.941   3.237
  334   1HG2  THR  41          1HG2      THR  41   9.007   3.762  -0.715
  335   2HG2  THR  41          2HG2      THR  41   9.144   5.146   0.401
  336   3HG2  THR  41          3HG2      THR  41  10.464   3.964   0.269
  337    H    VAL  42           H        VAL  42   5.789   5.000   0.081
  338    HA   VAL  42           HA       VAL  42   5.398   3.011  -2.112
  339    HB   VAL  42           HB       VAL  42   3.481   5.226  -1.267
  340   1HG1  VAL  42          1HG1      VAL  42   3.438   4.952  -3.689
  341   2HG1  VAL  42          2HG1      VAL  42   3.401   3.179  -3.536
  342   3HG1  VAL  42          3HG1      VAL  42   2.017   4.156  -3.016
  343   1HG2  VAL  42          1HG2      VAL  42   3.116   2.204  -1.163
  344   2HG2  VAL  42          2HG2      VAL  42   3.358   3.253   0.251
  345   3HG2  VAL  42          3HG2      VAL  42   1.905   3.432  -0.736
  346    H    LEU  43           H        LEU  43   6.497   3.592  -3.868
  347    HA   LEU  43           HA       LEU  43   6.883   6.508  -4.451
  348   1HB   LEU  43          2HB       LEU  43   8.693   4.174  -5.163
  349   2HB   LEU  43          3HB       LEU  43   8.927   5.834  -5.699
  350    HG   LEU  43           HG       LEU  43   8.946   4.938  -2.784
  351   1HD1  LEU  43          1HD1      LEU  43  10.806   3.939  -4.036
  352   2HD1  LEU  43          2HD1      LEU  43  11.276   5.543  -4.645
  353   3HD1  LEU  43          3HD1      LEU  43  11.386   5.173  -2.907
  354   1HD2  LEU  43          1HD2      LEU  43   9.780   7.567  -4.077
  355   2HD2  LEU  43          2HD2      LEU  43   8.388   7.311  -2.995
  356   3HD2  LEU  43          3HD2      LEU  43  10.030   7.128  -2.372
  357    H    VAL  44           H        VAL  44   6.244   7.180  -6.423
  358    HA   VAL  44           HA       VAL  44   5.335   5.219  -8.438
  359    HB   VAL  44           HB       VAL  44   3.350   5.600  -7.119
  360   1HG1  VAL  44          1HG1      VAL  44   3.812   7.734  -6.043
  361   2HG1  VAL  44          2HG1      VAL  44   3.690   8.578  -7.603
  362   3HG1  VAL  44          3HG1      VAL  44   2.270   7.775  -6.888
  363   1HG2  VAL  44          1HG2      VAL  44   3.152   7.156  -9.724
  364   2HG2  VAL  44          2HG2      VAL  44   3.134   5.385  -9.574
  365   3HG2  VAL  44          3HG2      VAL  44   1.835   6.346  -8.849
  366    H    GLU  45           H        GLU  45   5.803   5.818 -10.467
  367    HA   GLU  45           HA       GLU  45   6.779   8.579 -11.015
  368   1HB   GLU  45          2HB       GLU  45   8.475   6.065 -11.298
  369   2HB   GLU  45          3HB       GLU  45   8.923   7.657 -11.877
  370   1HG   GLU  45          2HG       GLU  45   9.148   8.499  -9.619
  371   2HG   GLU  45          3HG       GLU  45   8.473   7.015  -8.931
  372    H    TYR  46           H        TYR  46   7.224   8.913 -13.319
  373    HA   TYR  46           HA       TYR  46   6.046   6.895 -15.150
  374   1HB   TYR  46          2HB       TYR  46   4.386   8.734 -14.434
  375   2HB   TYR  46          3HB       TYR  46   5.367   9.843 -15.389
  376    HD1  TYR  46           HD1      TYR  46   5.811   9.175 -17.885
  377    HD2  TYR  46           HD2      TYR  46   2.744   7.394 -15.435
  378    HE1  TYR  46           HE1      TYR  46   4.833   8.083 -19.893
  379    HE2  TYR  46           HE2      TYR  46   1.740   6.345 -17.454
  380    HH   TYR  46           HH       TYR  46   3.579   6.208 -20.492
  381    H    THR  47           H        THR  47   7.603   6.383 -16.557
  382    HA   THR  47           HA       THR  47   9.091   8.572 -17.893
  383    HB   THR  47           HB       THR  47  10.517   6.174 -16.713
  384    HG1  THR  47           1HG      THR  47   9.886   8.533 -15.801
  385   1HG2  THR  47          1HG2      THR  47  11.510   6.719 -18.917
  386   2HG2  THR  47          2HG2      THR  47  11.545   8.447 -18.487
  387   3HG2  THR  47          3HG2      THR  47  12.562   7.284 -17.610
  388    H    ASP  48           H        ASP  48   7.657   8.348 -19.545
  389    HA   ASP  48           HA       ASP  48   6.654   7.625 -21.401
  390   1HB   ASP  48          2HB       ASP  48   9.042   7.038 -22.046
  391   2HB   ASP  48          3HB       ASP  48   8.636   5.359 -21.670
  392    H    GLU  49           H        GLU  49   7.386   5.000 -19.171
  393    HA   GLU  49           HA       GLU  49   4.568   4.026 -19.314
  394   1HB   GLU  49          2HB       GLU  49   6.272   2.422 -20.123
  395   2HB   GLU  49          3HB       GLU  49   7.135   2.548 -18.587
  396   1HG   GLU  49          2HG       GLU  49   5.286   1.502 -17.401
  397   2HG   GLU  49          3HG       GLU  49   4.259   1.578 -18.838
  398    H    LEU  50           H        LEU  50   3.678   3.357 -17.279
  399    HA   LEU  50           HA       LEU  50   4.332   5.090 -14.988
  400   1HB   LEU  50          2HB       LEU  50   1.990   4.903 -15.708
  401   2HB   LEU  50          3HB       LEU  50   2.081   3.148 -15.673
  402    HG   LEU  50           HG       LEU  50   2.319   3.203 -13.191
  403   1HD1  LEU  50          1HD1      LEU  50   3.284   5.466 -12.885
  404   2HD1  LEU  50          2HD1      LEU  50   1.770   6.191 -13.472
  405   3HD1  LEU  50          3HD1      LEU  50   1.800   5.262 -11.958
  406   1HD2  LEU  50          1HD2      LEU  50  -0.109   4.684 -14.269
  407   2HD2  LEU  50          2HD2      LEU  50   0.124   2.920 -14.252
  408   3HD2  LEU  50          3HD2      LEU  50  -0.001   3.803 -12.726
  409    H    LYS  51           H        LYS  51   5.457   4.368 -13.223
  410    HA   LYS  51           HA       LYS  51   5.254   1.462 -12.577
  411   1HB   LYS  51          2HB       LYS  51   7.518   1.382 -11.734
  412   2HB   LYS  51          3HB       LYS  51   7.493   1.722 -13.454
  413   1HG   LYS  51          2HG       LYS  51   8.515   3.719 -13.233
  414   2HG   LYS  51          3HG       LYS  51   7.541   4.199 -11.860
  415   1HD   LYS  51          2HD       LYS  51   9.952   2.347 -11.689
  416   2HD   LYS  51          3HD       LYS  51   9.956   4.082 -11.353
  417   1HE   LYS  51          2HE       LYS  51   8.163   3.646  -9.587
  418   2HE   LYS  51          3HE       LYS  51   8.477   1.914  -9.798
  419   1HZ   LYS  51          1HZ       LYS  51  10.846   2.445  -9.220
  420   2HZ   LYS  51          2HZ       LYS  51  10.380   4.009  -8.920
  421   3HZ   LYS  51          3HZ       LYS  51   9.828   2.743  -7.987
  422    H    VAL  52           H        VAL  52   5.125   0.915 -10.468
  423    HA   VAL  52           HA       VAL  52   5.154   2.990  -8.396
  424    HB   VAL  52           HB       VAL  52   2.814   2.865  -9.012
  425   1HG1  VAL  52          1HG1      VAL  52   2.675   0.596  -9.944
  426   2HG1  VAL  52          2HG1      VAL  52   2.923  -0.101  -8.324
  427   3HG1  VAL  52          3HG1      VAL  52   1.472   0.851  -8.682
  428   1HG2  VAL  52          1HG2      VAL  52   3.251   1.482  -6.337
  429   2HG2  VAL  52          2HG2      VAL  52   3.446   3.223  -6.634
  430   3HG2  VAL  52          3HG2      VAL  52   1.861   2.465  -6.835
  431    H    ASP  53           H        ASP  53   5.886   2.270  -6.481
  432    HA   ASP  53           HA       ASP  53   7.028  -0.492  -6.333
  433   1HB   ASP  53          2HB       ASP  53   8.375   1.306  -7.523
  434   2HB   ASP  53          3HB       ASP  53   8.425   2.203  -6.015
  435    H    ILE  54           H        ILE  54   6.806  -1.332  -4.274
  436    HA   ILE  54           HA       ILE  54   5.990   0.515  -2.074
  437    HB   ILE  54           HB       ILE  54   4.608  -2.099  -2.744
  438   1HG1  ILE  54          2HG1      ILE  54   3.641   0.739  -3.280
  439   2HG1  ILE  54          3HG1      ILE  54   4.019  -0.493  -4.490
  440   1HG2  ILE  54          1HG2      ILE  54   4.599  -1.418  -0.314
  441   2HG2  ILE  54          2HG2      ILE  54   3.767   0.069  -0.784
  442   3HG2  ILE  54          3HG2      ILE  54   3.015  -1.526  -1.060
  443   1HD1  ILE  54          1HD1      ILE  54   2.179  -1.931  -3.532
  444   2HD1  ILE  54          2HD1      ILE  54   1.703  -0.550  -2.515
  445   3HD1  ILE  54          3HD1      ILE  54   1.645  -0.420  -4.290
  446    H    SER  55           H        SER  55   6.923   0.161  -0.195
  447    HA   SER  55           HA       SER  55   7.774  -2.593   0.580
  448   1HB   SER  55          2HB       SER  55   9.797  -1.167   0.050
  449   2HB   SER  55          3HB       SER  55   9.320  -0.098   1.387
  450    HG   SER  55           HG       SER  55   9.718  -1.720   2.898
  451    H    ALA  56           H        ALA  56   7.243  -3.111   2.687
  452    HA   ALA  56           HA       ALA  56   6.250  -1.008   4.467
  453   1HB   ALA  56          1HB       ALA  56   4.208  -1.900   3.459
  454   2HB   ALA  56          2HB       ALA  56   4.685  -3.550   3.912
  455   3HB   ALA  56          3HB       ALA  56   4.311  -2.354   5.176
  456    H    GLU  57           H        GLU  57   6.807  -1.277   6.513
  457    HA   GLU  57           HA       GLU  57   8.426  -3.660   7.295
  458   1HB   GLU  57          2HB       GLU  57   8.828  -0.701   7.867
  459   2HB   GLU  57          3HB       GLU  57   9.782  -2.009   8.530
  460   1HG   GLU  57          2HG       GLU  57  11.110  -1.120   6.904
  461   2HG   GLU  57          3HG       GLU  57  10.500  -2.611   6.197
  462    H    LEU  58           H        LEU  58   8.091  -4.441   9.314
  463    HA   LEU  58           HA       LEU  58   5.965  -3.233  11.043
  464   1HB   LEU  58          2HB       LEU  58   6.621  -6.043  10.149
  465   2HB   LEU  58          3HB       LEU  58   6.100  -5.848  11.800
  466    HG   LEU  58           HG       LEU  58   4.337  -6.494  10.165
  467   1HD1  LEU  58          1HD1      LEU  58   3.744  -5.626  12.361
  468   2HD1  LEU  58          2HD1      LEU  58   3.826  -3.952  11.771
  469   3HD1  LEU  58          3HD1      LEU  58   2.597  -5.074  11.139
  470   1HD2  LEU  58          1HD2      LEU  58   4.295  -3.582   9.320
  471   2HD2  LEU  58          2HD2      LEU  58   5.097  -4.845   8.387
  472   3HD2  LEU  58          3HD2      LEU  58   3.353  -4.958   8.685
  473    H    TYR  59           H        TYR  59   6.767  -2.405  12.907
  474    HA   TYR  59           HA       TYR  59   9.098  -3.818  14.144
  475   1HB   TYR  59          2HB       TYR  59   8.247  -0.910  14.316
  476   2HB   TYR  59          3HB       TYR  59   9.511  -1.660  15.279
  477    HD1  TYR  59           HD1      TYR  59  11.579  -2.542  14.210
  478    HD2  TYR  59           HD2      TYR  59   8.652  -0.356  11.897
  479    HE1  TYR  59           HE1      TYR  59  13.246  -2.199  12.406
  480    HE2  TYR  59           HE2      TYR  59  10.333   0.046  10.147
  481    HH   TYR  59           HH       TYR  59  13.655  -1.271  10.349
  482    H    LEU  60           H        LEU  60   8.221  -5.284  15.383
  483    HA   LEU  60           HA       LEU  60   5.780  -4.904  16.962
  484   1HB   LEU  60          2HB       LEU  60   7.707  -7.198  16.481
  485   2HB   LEU  60          3HB       LEU  60   6.557  -7.269  17.789
  486    HG   LEU  60           HG       LEU  60   5.803  -8.497  15.834
  487   1HD1  LEU  60          1HD1      LEU  60   4.202  -7.458  17.461
  488   2HD1  LEU  60          2HD1      LEU  60   3.999  -6.100  16.349
  489   3HD1  LEU  60          3HD1      LEU  60   3.526  -7.737  15.849
  490   1HD2  LEU  60          1HD2      LEU  60   5.481  -5.842  14.383
  491   2HD2  LEU  60          2HD2      LEU  60   6.732  -7.059  14.026
  492   3HD2  LEU  60          3HD2      LEU  60   5.017  -7.454  13.805
  493    H    ASP  61           H        ASP  61   5.649  -5.079  19.220
  494    HA   ASP  61           HA       ASP  61   7.755  -3.906  20.792
  495   1HB   ASP  61          2HB       ASP  61   5.350  -3.869  21.412
  496   2HB   ASP  61          3HB       ASP  61   5.398  -5.621  21.659
  497    H    GLU  62           H        GLU  62   9.038  -4.806  22.360
  498    HA   GLU  62           HA       GLU  62  10.620  -7.110  21.549
  499   1HB   GLU  62          2HB       GLU  62  10.708  -5.187  23.906
  500   2HB   GLU  62          3HB       GLU  62  11.928  -6.431  23.649
  501   1HG   GLU  62          2HG       GLU  62  11.349  -4.351  21.507
  502   2HG   GLU  62          3HG       GLU  62  12.432  -4.044  22.856
  503    H    LEU  63           H        LEU  63   7.886  -7.623  22.371
  504    HA   LEU  63           HA       LEU  63   8.173  -9.772  24.380
  505   1HB   LEU  63          2HB       LEU  63   7.549  -7.575  25.457
  506   2HB   LEU  63          3HB       LEU  63   6.121  -7.512  24.437
  507    HG   LEU  63           HG       LEU  63   5.142  -9.432  25.603
  508   1HD1  LEU  63          1HD1      LEU  63   7.134 -10.749  26.159
  509   2HD1  LEU  63          2HD1      LEU  63   7.730  -9.451  27.222
  510   3HD1  LEU  63          3HD1      LEU  63   6.254 -10.355  27.639
  511   1HD2  LEU  63          1HD2      LEU  63   6.266  -7.372  27.536
  512   2HD2  LEU  63          2HD2      LEU  63   4.844  -7.152  26.498
  513   3HD2  LEU  63          3HD2      LEU  63   4.818  -8.380  27.779
  514    H    SER  64           H        SER  64   7.291  -8.970  21.283
  515    HA   SER  64           HA       SER  64   4.899 -10.768  21.170
  516   1HB   SER  64          2HB       SER  64   5.387  -8.172  19.655
  517   2HB   SER  64          3HB       SER  64   3.976  -9.237  19.493
  518    HG   SER  64           HG       SER  64   4.785  -7.735  21.752
  519    H    ASP  65           H        ASP  65   4.520 -11.779  19.070
  520    HA   ASP  65           HA       ASP  65   6.809 -12.063  17.252
  521   1HB   ASP  65          2HB       ASP  65   7.295 -13.519  19.229
  522   2HB   ASP  65          3HB       ASP  65   5.790 -14.389  18.940
  523    H    ALA  66           H        ALA  66   5.545 -11.412  15.628
  524    HA   ALA  66           HA       ALA  66   2.904 -12.484  15.007
  525   1HB   ALA  66          1HB       ALA  66   3.565 -10.113  14.629
  526   2HB   ALA  66          2HB       ALA  66   4.772 -10.650  13.435
  527   3HB   ALA  66          3HB       ALA  66   3.039 -10.897  13.135
  528    H    ASP  67           H        ASP  67   2.774 -12.875  12.309
  529    HA   ASP  67           HA       ASP  67   4.126 -15.460  12.013
  530   1HB   ASP  67          2HB       ASP  67   2.192 -13.960  10.197
  531   2HB   ASP  67          3HB       ASP  67   2.845 -15.551   9.850
  532    HA   PRO  68           HA       PRO  68   7.469 -13.764   9.538
  533   1HB   PRO  68          2HB       PRO  68   8.614 -16.032   8.557
  534   2HB   PRO  68          3HB       PRO  68   8.565 -15.657  10.300
  535   1HG   PRO  68          2HG       PRO  68   6.618 -17.396   8.745
  536   2HG   PRO  68          3HG       PRO  68   7.526 -17.821  10.236
  537   1HD   PRO  68          2HD       PRO  68   4.972 -16.889  10.338
  538   2HD   PRO  68          3HD       PRO  68   6.181 -16.414  11.568
  539    H    GLY  69           H        GLY  69   5.240 -13.183   8.396
  540   1HA   GLY  69          2HA       GLY  69   5.745 -12.722   5.663
  541   2HA   GLY  69          3HA       GLY  69   4.613 -14.071   5.746
  542    H    ILE  70           H        ILE  70   4.010 -11.995   8.440
  543    HA   ILE  70           HA       ILE  70   1.414 -11.578   7.545
  544    HB   ILE  70           HB       ILE  70   2.490 -11.697   9.892
  545   1HG1  ILE  70          2HG1      ILE  70   0.313  -9.635   9.857
  546   2HG1  ILE  70          3HG1      ILE  70  -0.007 -11.208   9.131
  547   1HG2  ILE  70          1HG2      ILE  70   3.953  -9.690   9.726
  548   2HG2  ILE  70          2HG2      ILE  70   2.509  -8.649   9.658
  549   3HG2  ILE  70          3HG2      ILE  70   2.843  -9.603  11.099
  550   1HD1  ILE  70          1HD1      ILE  70   0.596 -12.379  11.185
  551   2HD1  ILE  70          2HD1      ILE  70   1.056 -10.866  11.963
  552   3HD1  ILE  70          3HD1      ILE  70  -0.642 -11.159  11.539
  553    H    VAL  71           H        VAL  71   4.154  -9.536   7.013
  554    HA   VAL  71           HA       VAL  71   2.530  -7.203   6.256
  555    HB   VAL  71           HB       VAL  71   4.521  -6.853   7.471
  556   1HG1  VAL  71          1HG1      VAL  71   5.993  -8.703   6.704
  557   2HG1  VAL  71          2HG1      VAL  71   6.151  -7.913   5.122
  558   3HG1  VAL  71          3HG1      VAL  71   6.789  -7.130   6.574
  559   1HG2  VAL  71          1HG2      VAL  71   3.731  -5.138   5.863
  560   2HG2  VAL  71          2HG2      VAL  71   5.481  -5.063   6.131
  561   3HG2  VAL  71          3HG2      VAL  71   4.858  -5.788   4.646
  562    H    ASP  72           H        ASP  72   4.540  -9.726   4.629
  563    HA   ASP  72           HA       ASP  72   4.338  -8.863   2.001
  564   1HB   ASP  72          2HB       ASP  72   4.067 -11.737   2.970
  565   2HB   ASP  72          3HB       ASP  72   4.684 -11.181   1.420
  566    H    GLU  73           H        GLU  73   1.896 -10.540   3.985
  567    HA   GLU  73           HA       GLU  73  -0.164 -10.801   2.013
  568   1HB   GLU  73          2HB       GLU  73  -0.397 -10.212   4.997
  569   2HB   GLU  73          3HB       GLU  73  -1.706 -10.768   3.951
  570   1HG   GLU  73          2HG       GLU  73  -0.766 -12.932   3.711
  571   2HG   GLU  73          3HG       GLU  73   0.770 -12.435   4.426
  572    H    ALA  74           H        ALA  74   0.748  -7.983   4.127
  573    HA   ALA  74           HA       ALA  74  -1.576  -6.415   3.353
  574   1HB   ALA  74          1HB       ALA  74  -0.241  -6.104   5.486
  575   2HB   ALA  74          2HB       ALA  74   1.081  -5.434   4.490
  576   3HB   ALA  74          3HB       ALA  74  -0.483  -4.625   4.537
  577    H    VAL  75           H        VAL  75   1.859  -6.598   2.237
  578    HA   VAL  75           HA       VAL  75   1.519  -4.414   0.385
  579    HB   VAL  75           HB       VAL  75   3.628  -6.517  -0.103
  580   1HG1  VAL  75          1HG1      VAL  75   3.224  -4.391  -1.526
  581   2HG1  VAL  75          2HG1      VAL  75   3.709  -3.484  -0.094
  582   3HG1  VAL  75          3HG1      VAL  75   4.869  -4.576  -0.871
  583   1HG2  VAL  75          1HG2      VAL  75   3.557  -4.572   2.224
  584   2HG2  VAL  75          2HG2      VAL  75   4.091  -6.273   2.184
  585   3HG2  VAL  75          3HG2      VAL  75   5.100  -5.039   1.467
  586    H    ASP  76           H        ASP  76   1.475  -8.000  -0.144
  587    HA   ASP  76           HA       ASP  76   0.720  -8.012  -2.863
  588   1HB   ASP  76          2HB       ASP  76   1.471  -9.935  -1.480
  589   2HB   ASP  76          3HB       ASP  76  -0.071  -9.901  -0.614
  590    H    ALA  77           H        ALA  77  -1.383  -7.699   0.079
  591    HA   ALA  77           HA       ALA  77  -3.826  -7.526  -1.399
  592   1HB   ALA  77          1HB       ALA  77  -3.748  -7.937   0.999
  593   2HB   ALA  77          2HB       ALA  77  -3.109  -6.305   1.291
  594   3HB   ALA  77          3HB       ALA  77  -4.747  -6.511   0.635
  595    H    ALA  78           H        ALA  78  -1.490  -4.907  -0.481
  596    HA   ALA  78           HA       ALA  78  -3.020  -2.789  -1.672
  597   1HB   ALA  78          1HB       ALA  78  -1.163  -2.497  -0.066
  598   2HB   ALA  78          2HB       ALA  78   0.019  -2.949  -1.315
  599   3HB   ALA  78          3HB       ALA  78  -0.973  -1.499  -1.509
  600    H    TYR  79           H        TYR  79  -0.467  -4.926  -3.078
  601    HA   TYR  79           HA       TYR  79  -0.545  -3.768  -5.696
  602   1HB   TYR  79          2HB       TYR  79   0.133  -6.576  -4.720
  603   2HB   TYR  79          3HB       TYR  79   0.309  -6.069  -6.388
  604    HD1  TYR  79           HD1      TYR  79   2.158  -6.522  -3.421
  605    HD2  TYR  79           HD2      TYR  79   1.628  -3.737  -6.695
  606    HE1  TYR  79           HE1      TYR  79   4.489  -5.718  -3.140
  607    HE2  TYR  79           HE2      TYR  79   3.938  -2.879  -6.333
  608    HH   TYR  79           HH       TYR  79   6.069  -4.103  -3.753
  609    H    ARG  80           H        ARG  80  -2.472  -6.507  -4.330
  610    HA   ARG  80           HA       ARG  80  -3.970  -6.907  -6.776
  611   1HB   ARG  80          2HB       ARG  80  -4.507  -7.756  -3.901
  612   2HB   ARG  80          3HB       ARG  80  -5.504  -8.244  -5.282
  613   1HG   ARG  80          2HG       ARG  80  -3.537  -9.313  -6.359
  614   2HG   ARG  80          3HG       ARG  80  -2.529  -8.837  -4.990
  615   1HD   ARG  80          2HD       ARG  80  -4.300 -10.095  -3.534
  616   2HD   ARG  80          3HD       ARG  80  -4.807 -10.833  -5.063
  617    HE   ARG  80           HE       ARG  80  -1.944 -10.884  -4.124
  618   1HH1  ARG  80          1HH2      ARG  80  -4.626 -12.803  -5.337
  619   2HH1  ARG  80          2HH2      ARG  80  -3.797 -14.310  -5.023
  620   1HH2  ARG  80          1HH1      ARG  80  -1.126 -12.758  -3.443
  621   2HH2  ARG  80          2HH1      ARG  80  -1.751 -14.288  -4.050
  622    H    SER  81           H        SER  81  -4.722  -4.928  -3.837
  623    HA   SER  81           HA       SER  81  -7.344  -4.226  -4.759
  624   1HB   SER  81          2HB       SER  81  -7.400  -2.545  -3.135
  625   2HB   SER  81          3HB       SER  81  -6.461  -3.856  -2.408
  626    HG   SER  81           HG       SER  81  -5.588  -1.670  -2.163
  627    H    LEU  82           H        LEU  82  -4.134  -2.660  -5.311
  628    HA   LEU  82           HA       LEU  82  -5.138  -0.586  -6.961
  629   1HB   LEU  82          2HB       LEU  82  -2.852  -0.760  -5.978
  630   2HB   LEU  82          3HB       LEU  82  -2.458  -2.023  -7.137
  631    HG   LEU  82           HG       LEU  82  -2.941  -0.350  -9.002
  632   1HD1  LEU  82          1HD1      LEU  82  -4.315   1.289  -7.779
  633   2HD1  LEU  82          2HD1      LEU  82  -2.962   1.626  -6.674
  634   3HD1  LEU  82          3HD1      LEU  82  -2.854   2.061  -8.394
  635   1HD2  LEU  82          1HD2      LEU  82  -0.737   0.392  -7.044
  636   2HD2  LEU  82          2HD2      LEU  82  -0.657  -0.878  -8.285
  637   3HD2  LEU  82          3HD2      LEU  82  -0.820   0.819  -8.768
  638    H    GLU  83           H        GLU  83  -3.915  -3.872  -7.961
  639    HA   GLU  83           HA       GLU  83  -4.382  -3.438 -10.731
  640   1HB   GLU  83          2HB       GLU  83  -3.054  -5.307  -9.535
  641   2HB   GLU  83          3HB       GLU  83  -4.602  -6.103  -9.273
  642   1HG   GLU  83          2HG       GLU  83  -3.780  -7.128 -11.191
  643   2HG   GLU  83          3HG       GLU  83  -4.898  -5.948 -11.864
  644    H    SER  84           H        SER  84  -6.571  -4.834  -8.229
  645    HA   SER  84           HA       SER  84  -8.758  -5.268 -10.064
  646   1HB   SER  84          2HB       SER  84  -8.533  -6.453  -7.891
  647   2HB   SER  84          3HB       SER  84  -8.826  -4.917  -7.043
  648    HG   SER  84           HG       SER  84 -10.769  -4.926  -8.620
  649    H    PHE  85           H        PHE  85  -7.650  -2.362  -8.426
  650    HA   PHE  85           HA       PHE  85 -10.122  -0.868  -8.933
  651   1HB   PHE  85          2HB       PHE  85  -8.681  -0.420  -7.019
  652   2HB   PHE  85          3HB       PHE  85  -7.307  -0.120  -8.059
  653    HD1  PHE  85           HD1      PHE  85 -10.259   1.302  -6.493
  654    HD2  PHE  85           HD2      PHE  85  -7.201   1.938  -9.450
  655    HE1  PHE  85           HE1      PHE  85 -10.578   3.760  -6.292
  656    HE2  PHE  85           HE2      PHE  85  -7.505   4.399  -9.241
  657    HZ   PHE  85           HZ       PHE  85  -9.174   5.307  -7.639
  658    H    LEU  86           H        LEU  86  -6.841  -1.119 -10.427
  659    HA   LEU  86           HA       LEU  86  -7.328   0.649 -12.569
  660   1HB   LEU  86          2HB       LEU  86  -5.268  -1.343 -11.888
  661   2HB   LEU  86          3HB       LEU  86  -5.485  -1.101 -13.607
  662    HG   LEU  86           HG       LEU  86  -3.747   0.364 -12.622
  663   1HD1  LEU  86          1HD1      LEU  86  -4.995   0.988 -14.688
  664   2HD1  LEU  86          2HD1      LEU  86  -6.088   1.995 -13.718
  665   3HD1  LEU  86          3HD1      LEU  86  -4.366   2.389 -13.786
  666   1HD2  LEU  86          1HD2      LEU  86  -5.985   1.962 -11.314
  667   2HD2  LEU  86          2HD2      LEU  86  -4.903   0.855 -10.427
  668   3HD2  LEU  86          3HD2      LEU  86  -4.246   2.277 -11.259
  669    H    ASP  87           H        ASP  87  -8.199  -2.727 -12.306
  670    HA   ASP  87           HA       ASP  87  -9.260  -3.233 -14.840
  671   1HB   ASP  87          2HB       ASP  87  -9.001  -4.734 -12.800
  672   2HB   ASP  87          3HB       ASP  87 -10.484  -4.021 -12.171
  673    H    GLY  88           H        GLY  88 -10.378  -0.726 -12.691
  674   1HA   GLY  88          2HA       GLY  88 -12.688  -0.249 -14.553
  675   2HA   GLY  88          3HA       GLY  88 -12.772   0.094 -12.821
  676    H    PHE  89           H        PHE  89  -9.685   0.779 -14.138
  677    HA   PHE  89           HA       PHE  89 -10.308   3.699 -14.416
  678   1HB   PHE  89          2HB       PHE  89  -8.372   2.316 -12.596
  679   2HB   PHE  89          3HB       PHE  89  -7.930   3.869 -13.258
  680    HD1  PHE  89           HD1      PHE  89 -10.757   2.162 -11.440
  681    HD2  PHE  89           HD2      PHE  89  -8.464   5.733 -12.032
  682    HE1  PHE  89           HE1      PHE  89 -12.177   3.327  -9.771
  683    HE2  PHE  89           HE2      PHE  89  -9.879   6.920 -10.343
  684    HZ   PHE  89           HZ       PHE  89 -11.758   5.727  -9.250
  685    H    ARG  90           H        ARG  90  -8.776   1.024 -15.904
  686    HA   ARG  90           HA       ARG  90  -7.991   2.878 -18.100
  687   1HB   ARG  90          2HB       ARG  90  -6.187   0.830 -16.801
  688   2HB   ARG  90          3HB       ARG  90  -6.018   1.288 -18.502
  689   1HG   ARG  90          2HG       ARG  90  -5.463   3.566 -17.883
  690   2HG   ARG  90          3HG       ARG  90  -5.644   3.193 -16.166
  691   1HD   ARG  90          2HD       ARG  90  -3.249   3.125 -17.444
  692   2HD   ARG  90          3HD       ARG  90  -3.612   2.118 -16.058
  693    HE   ARG  90           HE       ARG  90  -4.088   0.216 -17.498
  694   1HH1  ARG  90          1HH2      ARG  90  -2.332   2.722 -19.211
  695   2HH1  ARG  90          2HH2      ARG  90  -2.204   1.739 -20.652
  696   1HH2  ARG  90          1HH1      ARG  90  -4.091  -0.888 -19.357
  697   2HH2  ARG  90          2HH1      ARG  90  -3.122  -0.323 -20.692
  698    H    GLU  91           H        GLU  91  -8.161  -0.581 -17.154
  699    HA   GLU  91           HA       GLU  91  -7.972  -1.434 -19.885
  700   1HB   GLU  91          2HB       GLU  91  -8.861  -3.238 -17.655
  701   2HB   GLU  91          3HB       GLU  91  -7.904  -3.608 -19.083
  702   1HG   GLU  91          2HG       GLU  91  -7.060  -2.249 -16.516
  703   2HG   GLU  91          3HG       GLU  91  -6.448  -3.740 -17.207
  Start of MODEL   14
    1    H    MET   1           H1       MET   1 -13.330   4.613 -18.837
    2    HA   MET   1           HA       MET   1 -11.226   4.932 -17.805
    3   1HB   MET   1          2HB       MET   1 -11.064   7.518 -19.429
    4   2HB   MET   1          3HB       MET   1  -9.924   6.963 -18.206
    5   1HG   MET   1          2HG       MET   1  -9.380   4.999 -19.679
    6   2HG   MET   1          3HG       MET   1 -10.418   5.717 -20.927
    7   1HE   MET   1          1HE       MET   1  -8.567   5.904 -22.787
    8   2HE   MET   1          2HE       MET   1  -6.913   6.462 -22.455
    9   3HE   MET   1          3HE       MET   1  -7.521   4.981 -21.678
   10    H    SER   2           H        SER   2 -11.375   5.856 -15.783
   11    HA   SER   2           HA       SER   2 -13.225   8.208 -15.433
   12   1HB   SER   2          2HB       SER   2 -12.870   5.816 -13.601
   13   2HB   SER   2          3HB       SER   2 -13.887   7.234 -13.270
   14    HG   SER   2           HG       SER   2 -14.902   5.302 -14.280
   15    H    LEU   3           H        LEU   3 -10.082   7.456 -15.361
   16    HA   LEU   3           HA       LEU   3  -9.113   8.755 -12.956
   17   1HB   LEU   3          2HB       LEU   3  -7.809   7.978 -15.603
   18   2HB   LEU   3          3HB       LEU   3  -6.910   8.631 -14.240
   19    HG   LEU   3           HG       LEU   3  -8.490   6.049 -14.146
   20   1HD1  LEU   3          1HD1      LEU   3  -6.570   5.877 -15.669
   21   2HD1  LEU   3          2HD1      LEU   3  -5.493   6.510 -14.401
   22   3HD1  LEU   3          3HD1      LEU   3  -6.293   4.937 -14.192
   23   1HD2  LEU   3          1HD2      LEU   3  -6.487   7.266 -12.176
   24   2HD2  LEU   3          2HD2      LEU   3  -8.227   7.050 -11.892
   25   3HD2  LEU   3          3HD2      LEU   3  -7.187   5.641 -12.054
   26    H    ARG   4           H        ARG   4  -7.304  10.471 -13.528
   27    HA   ARG   4           HA       ARG   4  -8.387  12.724 -15.109
   28   1HB   ARG   4          2HB       ARG   4  -7.557  12.948 -12.165
   29   2HB   ARG   4          3HB       ARG   4  -8.050  14.263 -13.226
   30   1HG   ARG   4          2HG       ARG   4 -10.017  13.950 -12.117
   31   2HG   ARG   4          3HG       ARG   4 -10.285  12.878 -13.486
   32   1HD   ARG   4          2HD       ARG   4  -9.343  10.994 -11.908
   33   2HD   ARG   4          3HD       ARG   4  -9.525  12.158 -10.620
   34    HE   ARG   4           HE       ARG   4 -11.616  10.716 -12.118
   35   1HH1  ARG   4          1HH2      ARG   4 -11.009  13.376  -9.893
   36   2HH1  ARG   4          2HH2      ARG   4 -12.664  13.468  -9.361
   37   1HH2  ARG   4          1HH1      ARG   4 -13.735  10.886 -11.411
   38   2HH2  ARG   4          2HH1      ARG   4 -14.185  12.074 -10.218
   39    H    LYS   5           H        LYS   5  -6.584  14.557 -14.875
   40    HA   LYS   5           HA       LYS   5  -4.126  13.715 -15.968
   41   1HB   LYS   5          2HB       LYS   5  -3.301  16.001 -15.313
   42   2HB   LYS   5          3HB       LYS   5  -4.725  15.906 -16.326
   43   1HG   LYS   5          2HG       LYS   5  -5.366  17.593 -14.957
   44   2HG   LYS   5          3HG       LYS   5  -6.103  16.251 -14.128
   45   1HD   LYS   5          2HD       LYS   5  -3.560  16.489 -12.912
   46   2HD   LYS   5          3HD       LYS   5  -4.009  18.143 -13.255
   47   1HE   LYS   5          2HE       LYS   5  -6.065  17.968 -12.020
   48   2HE   LYS   5          3HE       LYS   5  -5.939  16.196 -11.929
   49   1HZ   LYS   5          1HZ       LYS   5  -4.209  16.298 -10.441
   50   2HZ   LYS   5          2HZ       LYS   5  -3.950  17.929 -10.619
   51   3HZ   LYS   5          3HZ       LYS   5  -5.304  17.331  -9.862
   52    H    LEU   6           H        LEU   6  -2.782  12.283 -15.105
   53    HA   LEU   6           HA       LEU   6  -2.641  11.877 -12.239
   54   1HB   LEU   6          2HB       LEU   6  -1.094  10.628 -14.538
   55   2HB   LEU   6          3HB       LEU   6  -0.969  10.133 -12.858
   56    HG   LEU   6           HG       LEU   6  -3.444   9.927 -14.615
   57   1HD1  LEU   6          1HD1      LEU   6  -1.667   8.259 -15.041
   58   2HD1  LEU   6          2HD1      LEU   6  -1.701   7.790 -13.326
   59   3HD1  LEU   6          3HD1      LEU   6  -3.122   7.518 -14.355
   60   1HD2  LEU   6          1HD2      LEU   6  -3.099   9.189 -11.671
   61   2HD2  LEU   6          2HD2      LEU   6  -4.244  10.371 -12.353
   62   3HD2  LEU   6          3HD2      LEU   6  -4.448   8.656 -12.696
   63    H    THR   7           H        THR   7  -1.663  13.368 -10.992
   64    HA   THR   7           HA       THR   7   1.194  13.923 -11.458
   65    HB   THR   7           HB       THR   7  -0.089  15.651 -12.710
   66    HG1  THR   7           1HG      THR   7   1.817  16.383 -12.144
   67   1HG2  THR   7          1HG2      THR   7  -2.047  15.902 -11.250
   68   2HG2  THR   7          2HG2      THR   7  -1.031  16.634  -9.988
   69   3HG2  THR   7          3HG2      THR   7  -1.232  17.446 -11.554
   70    H    GLU   8           H        GLU   8   1.476  15.862  -9.586
   71    HA   GLU   8           HA       GLU   8   1.940  14.472  -7.188
   72   1HB   GLU   8          2HB       GLU   8   1.900  17.455  -7.802
   73   2HB   GLU   8          3HB       GLU   8   2.689  16.718  -6.402
   74   1HG   GLU   8          2HG       GLU   8   4.245  15.500  -7.832
   75   2HG   GLU   8          3HG       GLU   8   3.456  16.112  -9.289
   76    H    GLY   9           H        GLY   9  -0.984  14.604  -7.826
   77   1HA   GLY   9          2HA       GLY   9  -1.890  15.061  -5.045
   78   2HA   GLY   9          3HA       GLY   9  -2.794  15.878  -6.345
   79    H    ASP  10           H        ASP  10  -3.031  14.176  -8.356
   80    HA   ASP  10           HA       ASP  10  -4.868  12.200  -7.555
   81   1HB   ASP  10          2HB       ASP  10  -3.388  12.266 -10.202
   82   2HB   ASP  10          3HB       ASP  10  -5.057  11.781  -9.902
   83    H    LEU  11           H        LEU  11  -1.419  11.911  -8.531
   84    HA   LEU  11           HA       LEU  11  -1.291   9.017  -8.124
   85   1HB   LEU  11          2HB       LEU  11   0.856  11.165  -8.374
   86   2HB   LEU  11          3HB       LEU  11   1.180   9.453  -8.249
   87    HG   LEU  11           HG       LEU  11  -0.388  10.734 -10.522
   88   1HD1  LEU  11          1HD1      LEU  11   2.003  11.355 -10.548
   89   2HD1  LEU  11          2HD1      LEU  11   2.455   9.637 -10.465
   90   3HD1  LEU  11          3HD1      LEU  11   1.602  10.269 -11.890
   91   1HD2  LEU  11          1HD2      LEU  11   0.592   7.878 -10.075
   92   2HD2  LEU  11          2HD2      LEU  11  -1.088   8.412 -10.289
   93   3HD2  LEU  11          3HD2      LEU  11   0.052   8.480 -11.643
   94    H    ASP  12           H        ASP  12  -0.887  11.887  -6.089
   95    HA   ASP  12           HA       ASP  12   0.305  10.487  -3.849
   96   1HB   ASP  12          2HB       ASP  12   0.462  12.955  -4.226
   97   2HB   ASP  12          3HB       ASP  12  -1.257  13.092  -3.845
   98    H    GLU  13           H        GLU  13  -3.120  11.397  -4.677
   99    HA   GLU  13           HA       GLU  13  -4.327  10.095  -2.461
  100   1HB   GLU  13          2HB       GLU  13  -5.241  10.750  -5.273
  101   2HB   GLU  13          3HB       GLU  13  -6.290   9.837  -4.194
  102   1HG   GLU  13          2HG       GLU  13  -5.097  12.500  -3.336
  103   2HG   GLU  13          3HG       GLU  13  -6.576  12.392  -4.285
  104    H    ILE  14           H        ILE  14  -3.354   8.670  -5.630
  105    HA   ILE  14           HA       ILE  14  -4.280   6.010  -4.959
  106    HB   ILE  14           HB       ILE  14  -2.175   7.039  -6.884
  107   1HG1  ILE  14          2HG1      ILE  14  -4.930   5.787  -7.302
  108   2HG1  ILE  14          3HG1      ILE  14  -4.625   7.518  -7.300
  109   1HG2  ILE  14          1HG2      ILE  14  -1.469   4.767  -6.241
  110   2HG2  ILE  14          2HG2      ILE  14  -3.115   4.156  -6.520
  111   3HG2  ILE  14          3HG2      ILE  14  -2.115   4.742  -7.870
  112   1HD1  ILE  14          1HD1      ILE  14  -4.806   6.805  -9.573
  113   2HD1  ILE  14          2HD1      ILE  14  -3.109   7.233  -9.275
  114   3HD1  ILE  14          3HD1      ILE  14  -3.612   5.522  -9.355
  115    H    SER  15           H        SER  15  -1.126   7.643  -4.459
  116    HA   SER  15           HA       SER  15   0.210   5.460  -3.198
  117   1HB   SER  15          2HB       SER  15   0.631   8.434  -2.701
  118   2HB   SER  15          3HB       SER  15   1.785   7.120  -2.413
  119    HG   SER  15           HG       SER  15   0.765   8.049  -4.917
  120    H    SER  16           H        SER  16  -1.799   8.059  -1.830
  121    HA   SER  16           HA       SER  16  -1.721   7.300   0.918
  122   1HB   SER  16          2HB       SER  16  -2.510   9.481   0.109
  123   2HB   SER  16          3HB       SER  16  -3.872   8.706  -0.715
  124    HG   SER  16           HG       SER  16  -4.559   9.471   1.234
  125    H    PHE  17           H        PHE  17  -4.049   6.362  -1.716
  126    HA   PHE  17           HA       PHE  17  -5.632   4.598  -0.152
  127   1HB   PHE  17          2HB       PHE  17  -6.416   5.241  -2.283
  128   2HB   PHE  17          3HB       PHE  17  -4.942   4.763  -3.091
  129    HD1  PHE  17           HD1      PHE  17  -4.671   2.609  -4.037
  130    HD2  PHE  17           HD2      PHE  17  -7.912   3.361  -1.293
  131    HE1  PHE  17           HE1      PHE  17  -5.652   0.392  -4.586
  132    HE2  PHE  17           HE2      PHE  17  -8.885   1.142  -1.841
  133    HZ   PHE  17           HZ       PHE  17  -7.763  -0.337  -3.494
  134    H    LEU  18           H        LEU  18  -2.567   3.897  -1.929
  135    HA   LEU  18           HA       LEU  18  -2.437   1.130  -1.172
  136   1HB   LEU  18          2HB       LEU  18  -0.240   3.142  -1.807
  137   2HB   LEU  18          3HB       LEU  18   0.036   1.414  -1.620
  138    HG   LEU  18           HG       LEU  18  -1.846   2.595  -3.711
  139   1HD1  LEU  18          1HD1      LEU  18   1.041   1.670  -4.018
  140   2HD1  LEU  18          2HD1      LEU  18  -0.049   2.191  -5.325
  141   3HD1  LEU  18          3HD1      LEU  18   0.473   3.350  -4.102
  142   1HD2  LEU  18          1HD2      LEU  18  -0.631  -0.176  -3.422
  143   2HD2  LEU  18          2HD2      LEU  18  -2.346   0.253  -3.192
  144   3HD2  LEU  18          3HD2      LEU  18  -1.595   0.432  -4.773
  145    H    HIS  19           H        HIS  19  -0.904   4.000   0.414
  146    HA   HIS  19           HA       HIS  19   0.255   2.574   2.560
  147   1HB   HIS  19          2HB       HIS  19   0.787   4.883   1.870
  148   2HB   HIS  19          3HB       HIS  19  -0.784   5.431   2.449
  149    HD1  HIS  19           HD1      HIS  19   0.893   7.108   3.917
  150    HD2  HIS  19           HD2      HIS  19   0.829   3.035   4.940
  151    HE1  HIS  19           HE1      HIS  19   1.919   6.915   6.252
  152    H    ASN  20           H        ASN  20  -3.012   4.099   2.395
  153    HA   ASN  20           HA       ASN  20  -3.835   3.238   5.028
  154   1HB   ASN  20          2HB       ASN  20  -5.359   4.091   2.536
  155   2HB   ASN  20          3HB       ASN  20  -6.165   3.558   4.012
  156   1HD2  ASN  20          2HD2      ASN  20  -4.178   6.156   2.624
  157   2HD2  ASN  20          1HD2      ASN  20  -4.494   7.256   3.968
  158    H    THR  21           H        THR  21  -4.088   1.632   1.793
  159    HA   THR  21           HA       THR  21  -5.636  -0.581   2.672
  160    HB   THR  21           HB       THR  21  -3.538  -0.519   0.460
  161    HG1  THR  21           1HG      THR  21  -5.126   0.996   0.091
  162   1HG2  THR  21          1HG2      THR  21  -4.133  -2.842   0.933
  163   2HG2  THR  21          2HG2      THR  21  -5.863  -2.420   0.995
  164   3HG2  THR  21          3HG2      THR  21  -4.969  -2.314  -0.532
  165    H    ILE  22           H        ILE  22  -2.023  -0.297   2.534
  166    HA   ILE  22           HA       ILE  22  -1.513  -2.872   3.720
  167    HB   ILE  22           HB       ILE  22   0.132  -0.317   3.865
  168   1HG1  ILE  22          2HG1      ILE  22   0.168  -2.637   1.898
  169   2HG1  ILE  22          3HG1      ILE  22  -0.237  -0.955   1.560
  170   1HG2  ILE  22          1HG2      ILE  22   0.785  -2.163   5.557
  171   2HG2  ILE  22          2HG2      ILE  22   1.207  -3.156   4.139
  172   3HG2  ILE  22          3HG2      ILE  22   2.048  -1.651   4.455
  173   1HD1  ILE  22          1HD1      ILE  22   2.171  -0.400   2.312
  174   2HD1  ILE  22          2HD1      ILE  22   2.458  -2.152   2.136
  175   3HD1  ILE  22          3HD1      ILE  22   1.902  -1.192   0.735
  176    H    SER  23           H        SER  23  -1.976   0.367   5.168
  177    HA   SER  23           HA       SER  23  -1.470  -0.331   7.863
  178   1HB   SER  23          2HB       SER  23  -3.378   1.813   6.844
  179   2HB   SER  23          3HB       SER  23  -2.637   1.717   8.449
  180    HG   SER  23           HG       SER  23  -1.378   2.192   5.932
  181    H    ASP  24           H        ASP  24  -4.693  -0.124   6.186
  182    HA   ASP  24           HA       ASP  24  -6.162  -1.311   8.302
  183   1HB   ASP  24          2HB       ASP  24  -6.673  -0.986   5.351
  184   2HB   ASP  24          3HB       ASP  24  -7.743  -1.994   6.321
  185    H    PHE  25           H        PHE  25  -4.411  -2.956   5.604
  186    HA   PHE  25           HA       PHE  25  -5.465  -5.534   6.249
  187   1HB   PHE  25          2HB       PHE  25  -4.222  -4.860   4.164
  188   2HB   PHE  25          3HB       PHE  25  -2.729  -4.861   5.086
  189    HD1  PHE  25           HD1      PHE  25  -5.224  -6.878   3.357
  190    HD2  PHE  25           HD2      PHE  25  -1.841  -7.045   6.022
  191    HE1  PHE  25           HE1      PHE  25  -5.025  -9.317   2.953
  192    HE2  PHE  25           HE2      PHE  25  -1.600  -9.465   5.557
  193    HZ   PHE  25           HZ       PHE  25  -3.214 -10.613   4.057
  194    H    ILE  26           H        ILE  26  -2.463  -3.853   7.429
  195    HA   ILE  26           HA       ILE  26  -1.616  -5.906   9.199
  196    HB   ILE  26           HB       ILE  26  -1.151  -2.917   8.953
  197   1HG1  ILE  26          2HG1      ILE  26   0.634  -5.365   8.503
  198   2HG1  ILE  26          3HG1      ILE  26  -0.220  -4.493   7.237
  199   1HG2  ILE  26          1HG2      ILE  26  -0.938  -3.422  11.335
  200   2HG2  ILE  26          2HG2      ILE  26   0.161  -4.776  10.965
  201   3HG2  ILE  26          3HG2      ILE  26   0.626  -3.087  10.626
  202   1HD1  ILE  26          1HD1      ILE  26   1.084  -2.413   7.879
  203   2HD1  ILE  26          2HD1      ILE  26   2.088  -3.461   8.908
  204   3HD1  ILE  26          3HD1      ILE  26   2.027  -3.743   7.167
  205    H    LEU  27           H        LEU  27  -3.636  -2.968   9.852
  206    HA   LEU  27           HA       LEU  27  -4.187  -3.637  12.570
  207   1HB   LEU  27          2HB       LEU  27  -5.307  -1.756  10.513
  208   2HB   LEU  27          3HB       LEU  27  -6.354  -2.126  11.851
  209    HG   LEU  27           HG       LEU  27  -5.038  -0.063  12.155
  210   1HD1  LEU  27          1HD1      LEU  27  -5.982  -1.315  14.070
  211   2HD1  LEU  27          2HD1      LEU  27  -4.447  -2.191  14.250
  212   3HD1  LEU  27          3HD1      LEU  27  -4.508  -0.431  14.490
  213   1HD2  LEU  27          1HD2      LEU  27  -2.614  -1.869  12.545
  214   2HD2  LEU  27          2HD2      LEU  27  -2.872  -0.768  11.174
  215   3HD2  LEU  27          3HD2      LEU  27  -2.697  -0.117  12.808
  216    H    LYS  28           H        LYS  28  -5.386  -5.239   9.797
  217    HA   LYS  28           HA       LYS  28  -7.348  -6.677  11.545
  218   1HB   LYS  28          2HB       LYS  28  -7.519  -5.899   8.624
  219   2HB   LYS  28          3HB       LYS  28  -8.451  -7.261   9.254
  220   1HG   LYS  28          2HG       LYS  28  -9.604  -5.956  10.844
  221   2HG   LYS  28          3HG       LYS  28  -8.541  -4.577  10.673
  222   1HD   LYS  28          2HD       LYS  28 -10.429  -5.563   8.494
  223   2HD   LYS  28          3HD       LYS  28 -10.820  -4.314   9.668
  224   1HE   LYS  28          2HE       LYS  28  -8.748  -4.162   7.452
  225   2HE   LYS  28          3HE       LYS  28 -10.233  -3.219   7.635
  226   1HZ   LYS  28          1HZ       LYS  28  -9.039  -2.501   9.844
  227   2HZ   LYS  28          2HZ       LYS  28  -7.682  -2.956   8.990
  228   3HZ   LYS  28          3HZ       LYS  28  -8.666  -1.745   8.438
  229    H    ARG  29           H        ARG  29  -4.328  -6.992  10.676
  230    HA   ARG  29           HA       ARG  29  -4.455  -9.999  10.635
  231   1HB   ARG  29          2HB       ARG  29  -2.773  -8.039   9.199
  232   2HB   ARG  29          3HB       ARG  29  -1.816  -9.079  10.181
  233   1HG   ARG  29          2HG       ARG  29  -1.895 -10.055   8.041
  234   2HG   ARG  29          3HG       ARG  29  -2.880 -11.089   9.076
  235   1HD   ARG  29          2HD       ARG  29  -3.961  -8.923   7.219
  236   2HD   ARG  29          3HD       ARG  29  -3.757 -10.615   6.745
  237    HE   ARG  29           HE       ARG  29  -5.643  -9.540   8.794
  238   1HH1  ARG  29          1HH2      ARG  29  -4.792 -12.289   6.774
  239   2HH1  ARG  29          2HH2      ARG  29  -6.262 -13.138   7.178
  240   1HH2  ARG  29          1HH1      ARG  29  -7.319 -10.574   9.337
  241   2HH2  ARG  29          2HH1      ARG  29  -7.746 -12.149   8.660
  242    H    VAL  30           H        VAL  30  -2.932  -7.214  12.333
  243    HA   VAL  30           HA       VAL  30  -2.424  -8.991  14.661
  244    HB   VAL  30           HB       VAL  30  -0.417  -9.168  13.371
  245   1HG1  VAL  30          1HG1      VAL  30  -0.513  -7.145  11.973
  246   2HG1  VAL  30          2HG1      VAL  30  -0.174  -6.133  13.397
  247   3HG1  VAL  30          3HG1      VAL  30   1.037  -7.292  12.797
  248   1HG2  VAL  30          1HG2      VAL  30   0.192  -7.264  15.661
  249   2HG2  VAL  30          2HG2      VAL  30  -0.171  -8.999  15.839
  250   3HG2  VAL  30          3HG2      VAL  30   1.257  -8.475  14.941
  251    H    SER  31           H        SER  31  -2.033  -7.802  16.693
  252    HA   SER  31           HA       SER  31  -3.820  -5.480  16.713
  253   1HB   SER  31          2HB       SER  31  -3.899  -7.324  18.438
  254   2HB   SER  31          3HB       SER  31  -2.343  -6.732  19.056
  255    HG   SER  31           HG       SER  31  -4.873  -5.503  19.039
  256    H    ALA  32           H        ALA  32  -3.095  -3.441  16.451
  257    HA   ALA  32           HA       ALA  32  -0.595  -2.373  16.592
  258   1HB   ALA  32          1HB       ALA  32  -2.544  -1.201  15.751
  259   2HB   ALA  32          2HB       ALA  32  -3.227  -1.088  17.395
  260   3HB   ALA  32          3HB       ALA  32  -1.729  -0.223  16.980
  261    H    LYS  33           H        LYS  33  -2.470  -3.410  19.390
  262    HA   LYS  33           HA       LYS  33  -1.061  -1.990  21.463
  263   1HB   LYS  33          2HB       LYS  33  -2.351  -4.757  21.470
  264   2HB   LYS  33          3HB       LYS  33  -1.835  -3.860  22.904
  265   1HG   LYS  33          2HG       LYS  33  -3.446  -2.044  22.361
  266   2HG   LYS  33          3HG       LYS  33  -4.006  -2.967  20.951
  267   1HD   LYS  33          2HD       LYS  33  -4.673  -4.839  22.436
  268   2HD   LYS  33          3HD       LYS  33  -4.131  -3.904  23.850
  269   1HE   LYS  33          2HE       LYS  33  -5.753  -2.108  23.270
  270   2HE   LYS  33          3HE       LYS  33  -6.301  -3.056  21.878
  271   1HZ   LYS  33          1HZ       LYS  33  -6.997  -4.792  23.420
  272   2HZ   LYS  33          2HZ       LYS  33  -6.495  -3.904  24.709
  273   3HZ   LYS  33          3HZ       LYS  33  -7.749  -3.375  23.785
  274    H    GLU  34           H        GLU  34  -0.020  -4.569  19.379
  275    HA   GLU  34           HA       GLU  34   2.335  -5.227  21.084
  276   1HB   GLU  34          2HB       GLU  34   1.431  -6.418  18.434
  277   2HB   GLU  34          3HB       GLU  34   2.607  -7.084  19.563
  278   1HG   GLU  34          2HG       GLU  34   0.835  -7.544  21.200
  279   2HG   GLU  34          3HG       GLU  34  -0.379  -6.784  20.160
  280    H    ILE  35           H        ILE  35   1.492  -3.045  18.627
  281    HA   ILE  35           HA       ILE  35   4.027  -3.295  17.098
  282    HB   ILE  35           HB       ILE  35   1.473  -1.730  16.592
  283   1HG1  ILE  35          2HG1      ILE  35   0.932  -4.031  16.285
  284   2HG1  ILE  35          3HG1      ILE  35   1.147  -3.354  14.688
  285   1HG2  ILE  35          1HG2      ILE  35   3.268  -0.563  15.528
  286   2HG2  ILE  35          2HG2      ILE  35   3.895  -2.060  14.800
  287   3HG2  ILE  35          3HG2      ILE  35   2.313  -1.400  14.308
  288   1HD1  ILE  35          1HD1      ILE  35   2.156  -5.530  14.714
  289   2HD1  ILE  35          2HD1      ILE  35   3.505  -4.370  14.719
  290   3HD1  ILE  35          3HD1      ILE  35   3.021  -5.190  16.216
  291    H    VAL  36           H        VAL  36   5.648  -2.063  17.562
  292    HA   VAL  36           HA       VAL  36   5.540   0.283  19.331
  293    HB   VAL  36           HB       VAL  36   7.705  -1.102  17.697
  294   1HG1  VAL  36          1HG1      VAL  36   8.286   1.234  17.552
  295   2HG1  VAL  36          2HG1      VAL  36   7.982   1.471  19.292
  296   3HG1  VAL  36          3HG1      VAL  36   9.340   0.459  18.740
  297   1HG2  VAL  36          1HG2      VAL  36   7.406  -0.621  20.693
  298   2HG2  VAL  36          2HG2      VAL  36   6.965  -2.119  19.857
  299   3HG2  VAL  36          3HG2      VAL  36   8.655  -1.597  19.885
  300    H    ASP  37           H        ASP  37   6.138  -0.353  15.816
  301    HA   ASP  37           HA       ASP  37   4.491   1.879  15.137
  302   1HB   ASP  37          2HB       ASP  37   7.010   2.788  15.761
  303   2HB   ASP  37          3HB       ASP  37   7.221   2.461  14.051
  304    H    ILE  38           H        ILE  38   4.797   2.481  12.707
  305    HA   ILE  38           HA       ILE  38   5.662   0.190  11.033
  306    HB   ILE  38           HB       ILE  38   3.757   0.577   9.466
  307   1HG1  ILE  38          2HG1      ILE  38   2.439   2.052  11.788
  308   2HG1  ILE  38          3HG1      ILE  38   2.949   2.763  10.255
  309   1HG2  ILE  38          1HG2      ILE  38   3.942  -1.340  10.973
  310   2HG2  ILE  38          2HG2      ILE  38   2.951  -0.498  12.183
  311   3HG2  ILE  38          3HG2      ILE  38   2.266  -0.949  10.599
  312   1HD1  ILE  38          1HD1      ILE  38   1.337   1.249   9.057
  313   2HD1  ILE  38          2HD1      ILE  38   0.717   0.741  10.648
  314   3HD1  ILE  38          3HD1      ILE  38   0.587   2.431  10.145
  315    H    ASP  39           H        ASP  39   6.624   0.721   9.177
  316    HA   ASP  39           HA       ASP  39   6.648   3.586   8.323
  317   1HB   ASP  39          2HB       ASP  39   9.029   1.780   8.778
  318   2HB   ASP  39          3HB       ASP  39   9.073   3.075   7.586
  319    H    ILE  40           H        ILE  40   5.807   3.747   6.403
  320    HA   ILE  40           HA       ILE  40   6.052   1.503   4.451
  321    HB   ILE  40           HB       ILE  40   3.574   3.031   5.295
  322   1HG1  ILE  40          2HG1      ILE  40   3.943   0.050   4.885
  323   2HG1  ILE  40          3HG1      ILE  40   4.387   0.795   6.420
  324   1HG2  ILE  40          1HG2      ILE  40   2.411   1.834   3.395
  325   2HG2  ILE  40          2HG2      ILE  40   3.562   3.037   2.835
  326   3HG2  ILE  40          3HG2      ILE  40   3.996   1.307   2.799
  327   1HD1  ILE  40          1HD1      ILE  40   2.068   1.568   6.730
  328   2HD1  ILE  40          2HD1      ILE  40   1.614   0.753   5.208
  329   3HD1  ILE  40          3HD1      ILE  40   2.215  -0.200   6.578
  330    H    THR  41           H        THR  41   6.812   2.070   2.610
  331    HA   THR  41           HA       THR  41   6.881   4.954   1.786
  332    HB   THR  41           HB       THR  41   8.991   2.784   1.465
  333    HG1  THR  41           1HG      THR  41   8.809   3.983   3.453
  334   1HG2  THR  41          1HG2      THR  41   8.981   4.096  -0.584
  335   2HG2  THR  41          2HG2      THR  41   8.890   5.620   0.340
  336   3HG2  THR  41          3HG2      THR  41  10.349   4.608   0.415
  337    H    VAL  42           H        VAL  42   5.592   5.230   0.155
  338    HA   VAL  42           HA       VAL  42   5.173   3.144  -1.915
  339    HB   VAL  42           HB       VAL  42   3.033   4.519  -2.282
  340   1HG1  VAL  42          1HG1      VAL  42   3.023   2.226  -1.438
  341   2HG1  VAL  42          2HG1      VAL  42   3.348   2.799   0.212
  342   3HG1  VAL  42          3HG1      VAL  42   1.806   3.186  -0.577
  343   1HG2  VAL  42          1HG2      VAL  42   3.436   5.310   0.638
  344   2HG2  VAL  42          2HG2      VAL  42   3.535   6.432  -0.740
  345   3HG2  VAL  42          3HG2      VAL  42   2.020   5.612  -0.367
  346    H    LEU  43           H        LEU  43   6.108   3.618  -3.773
  347    HA   LEU  43           HA       LEU  43   6.531   6.492  -4.531
  348   1HB   LEU  43          2HB       LEU  43   8.383   4.145  -4.540
  349   2HB   LEU  43          3HB       LEU  43   8.305   5.022  -6.056
  350    HG   LEU  43           HG       LEU  43   8.822   7.153  -4.884
  351   1HD1  LEU  43          1HD1      LEU  43   8.091   6.636  -2.592
  352   2HD1  LEU  43          2HD1      LEU  43   9.309   5.345  -2.482
  353   3HD1  LEU  43          3HD1      LEU  43   9.807   7.047  -2.602
  354   1HD2  LEU  43          1HD2      LEU  43  10.834   4.899  -4.462
  355   2HD2  LEU  43          2HD2      LEU  43  10.585   5.810  -5.969
  356   3HD2  LEU  43          3HD2      LEU  43  11.207   6.637  -4.533
  357    H    VAL  44           H        VAL  44   5.822   7.096  -6.495
  358    HA   VAL  44           HA       VAL  44   5.111   5.069  -8.477
  359    HB   VAL  44           HB       VAL  44   3.019   5.375  -7.309
  360   1HG1  VAL  44          1HG1      VAL  44   3.306   7.619  -6.356
  361   2HG1  VAL  44          2HG1      VAL  44   3.180   8.336  -7.976
  362   3HG1  VAL  44          3HG1      VAL  44   1.796   7.473  -7.249
  363   1HG2  VAL  44          1HG2      VAL  44   2.908   6.771 -10.008
  364   2HG2  VAL  44          2HG2      VAL  44   2.998   5.013  -9.754
  365   3HG2  VAL  44          3HG2      VAL  44   1.590   5.912  -9.176
  366    H    GLU  45           H        GLU  45   5.642   5.670 -10.495
  367    HA   GLU  45           HA       GLU  45   6.398   8.482 -11.086
  368   1HB   GLU  45          2HB       GLU  45   8.389   7.349 -10.065
  369   2HB   GLU  45          3HB       GLU  45   8.318   6.121 -11.327
  370   1HG   GLU  45          2HG       GLU  45   8.726   7.894 -13.046
  371   2HG   GLU  45          3HG       GLU  45   8.810   9.097 -11.760
  372    H    TYR  46           H        TYR  46   6.709   8.832 -13.397
  373    HA   TYR  46           HA       TYR  46   5.779   6.632 -15.155
  374   1HB   TYR  46          2HB       TYR  46   3.918   8.320 -14.574
  375   2HB   TYR  46          3HB       TYR  46   4.811   9.478 -15.563
  376    HD1  TYR  46           HD1      TYR  46   5.412   8.751 -17.999
  377    HD2  TYR  46           HD2      TYR  46   2.561   6.671 -15.523
  378    HE1  TYR  46           HE1      TYR  46   4.753   7.343 -19.933
  379    HE2  TYR  46           HE2      TYR  46   1.861   5.302 -17.460
  380    HH   TYR  46           HH       TYR  46   3.862   5.277 -20.435
  381    H    THR  47           H        THR  47   7.492   6.169 -16.333
  382    HA   THR  47           HA       THR  47   9.043   8.361 -17.628
  383    HB   THR  47           HB       THR  47  10.306   7.827 -15.690
  384    HG1  THR  47           1HG      THR  47  12.196   7.184 -16.762
  385   1HG2  THR  47          1HG2      THR  47   9.592   5.473 -15.242
  386   2HG2  THR  47          2HG2      THR  47  10.620   4.941 -16.594
  387   3HG2  THR  47          3HG2      THR  47  11.334   5.735 -15.178
  388    H    ASP  48           H        ASP  48   7.733   7.953 -19.351
  389    HA   ASP  48           HA       ASP  48   6.893   7.110 -21.239
  390   1HB   ASP  48          2HB       ASP  48   9.330   6.753 -21.775
  391   2HB   ASP  48          3HB       ASP  48   9.115   5.057 -21.321
  392    H    GLU  49           H        GLU  49   7.738   4.599 -18.941
  393    HA   GLU  49           HA       GLU  49   5.057   3.329 -19.206
  394   1HB   GLU  49          2HB       GLU  49   7.051   1.946 -19.916
  395   2HB   GLU  49          3HB       GLU  49   7.668   2.070 -18.264
  396   1HG   GLU  49          2HG       GLU  49   5.670   0.870 -17.428
  397   2HG   GLU  49          3HG       GLU  49   4.984   0.846 -19.057
  398    H    LEU  50           H        LEU  50   4.239   2.477 -17.148
  399    HA   LEU  50           HA       LEU  50   4.462   4.452 -14.996
  400   1HB   LEU  50          2HB       LEU  50   2.264   3.685 -15.833
  401   2HB   LEU  50          3HB       LEU  50   2.697   2.013 -15.498
  402    HG   LEU  50           HG       LEU  50   2.747   2.517 -13.051
  403   1HD1  LEU  50          1HD1      LEU  50   3.203   4.959 -13.119
  404   2HD1  LEU  50          2HD1      LEU  50   1.614   5.230 -13.873
  405   3HD1  LEU  50          3HD1      LEU  50   1.733   4.598 -12.218
  406   1HD2  LEU  50          1HD2      LEU  50   0.159   3.258 -14.477
  407   2HD2  LEU  50          2HD2      LEU  50   0.731   1.609 -14.131
  408   3HD2  LEU  50          3HD2      LEU  50   0.310   2.693 -12.797
  409    H    LYS  51           H        LYS  51   5.581   4.158 -13.148
  410    HA   LYS  51           HA       LYS  51   6.350   1.385 -12.294
  411   1HB   LYS  51          2HB       LYS  51   7.805   4.004 -11.744
  412   2HB   LYS  51          3HB       LYS  51   8.296   2.415 -11.174
  413   1HG   LYS  51          2HG       LYS  51   8.224   3.341 -14.082
  414   2HG   LYS  51          3HG       LYS  51   9.654   3.203 -13.076
  415   1HD   LYS  51          2HD       LYS  51   9.907   1.030 -13.563
  416   2HD   LYS  51          3HD       LYS  51   8.273   0.647 -13.029
  417   1HE   LYS  51          2HE       LYS  51   7.434   1.505 -15.278
  418   2HE   LYS  51          3HE       LYS  51   9.123   1.617 -15.793
  419   1HZ   LYS  51          1HZ       LYS  51   9.306  -0.783 -15.342
  420   2HZ   LYS  51          2HZ       LYS  51   7.702  -0.834 -14.928
  421   3HZ   LYS  51          3HZ       LYS  51   8.142  -0.481 -16.463
  422    H    VAL  52           H        VAL  52   5.639   0.771 -10.357
  423    HA   VAL  52           HA       VAL  52   4.915   2.745  -8.337
  424    HB   VAL  52           HB       VAL  52   2.777   2.375  -9.371
  425   1HG1  VAL  52          1HG1      VAL  52   3.153   0.086 -10.319
  426   2HG1  VAL  52          2HG1      VAL  52   2.972  -0.582  -8.682
  427   3HG1  VAL  52          3HG1      VAL  52   1.624   0.266  -9.460
  428   1HG2  VAL  52          1HG2      VAL  52   2.872   0.932  -6.687
  429   2HG2  VAL  52          2HG2      VAL  52   2.959   2.695  -6.903
  430   3HG2  VAL  52          3HG2      VAL  52   1.508   1.816  -7.399
  431    H    ASP  53           H        ASP  53   5.845   2.246  -6.520
  432    HA   ASP  53           HA       ASP  53   6.899  -0.523  -6.096
  433   1HB   ASP  53          2HB       ASP  53   8.364   2.144  -6.011
  434   2HB   ASP  53          3HB       ASP  53   9.028   0.611  -5.442
  435    H    ILE  54           H        ILE  54   6.809  -1.251  -4.059
  436    HA   ILE  54           HA       ILE  54   5.772   0.564  -1.924
  437    HB   ILE  54           HB       ILE  54   4.785  -2.218  -2.681
  438   1HG1  ILE  54          2HG1      ILE  54   3.504   0.525  -3.060
  439   2HG1  ILE  54          3HG1      ILE  54   3.982  -0.609  -4.320
  440   1HG2  ILE  54          1HG2      ILE  54   4.714  -1.753  -0.226
  441   2HG2  ILE  54          2HG2      ILE  54   3.732  -0.308  -0.556
  442   3HG2  ILE  54          3HG2      ILE  54   3.125  -1.945  -0.938
  443   1HD1  ILE  54          1HD1      ILE  54   2.260  -2.233  -3.445
  444   2HD1  ILE  54          2HD1      ILE  54   1.673  -0.930  -2.378
  445   3HD1  ILE  54          3HD1      ILE  54   1.627  -0.732  -4.148
  446    H    SER  55           H        SER  55   6.938   0.450  -0.111
  447    HA   SER  55           HA       SER  55   8.050  -2.198   0.700
  448   1HB   SER  55          2HB       SER  55   9.531   0.453   0.783
  449   2HB   SER  55          3HB       SER  55  10.032  -1.008   1.671
  450    HG   SER  55           HG       SER  55   9.383  -1.448  -0.966
  451    H    ALA  56           H        ALA  56   7.536  -2.758   2.754
  452    HA   ALA  56           HA       ALA  56   6.557  -0.652   4.601
  453   1HB   ALA  56          1HB       ALA  56   4.583  -1.714   3.552
  454   2HB   ALA  56          2HB       ALA  56   5.172  -3.312   4.069
  455   3HB   ALA  56          3HB       ALA  56   4.694  -2.101   5.281
  456    H    GLU  57           H        GLU  57   7.217  -0.864   6.647
  457    HA   GLU  57           HA       GLU  57   8.391  -3.435   7.586
  458   1HB   GLU  57          2HB       GLU  57   9.531  -0.629   7.776
  459   2HB   GLU  57          3HB       GLU  57   9.857  -1.843   9.020
  460   1HG   GLU  57          2HG       GLU  57  10.763  -3.396   7.372
  461   2HG   GLU  57          3HG       GLU  57  10.413  -2.258   6.060
  462    H    LEU  58           H        LEU  58   7.916  -3.999   9.597
  463    HA   LEU  58           HA       LEU  58   5.791  -2.517  11.063
  464   1HB   LEU  58          2HB       LEU  58   4.851  -4.269   9.609
  465   2HB   LEU  58          3HB       LEU  58   6.018  -5.437  10.228
  466    HG   LEU  58           HG       LEU  58   4.946  -5.311  12.475
  467   1HD1  LEU  58          1HD1      LEU  58   2.976  -3.521  11.008
  468   2HD1  LEU  58          2HD1      LEU  58   2.596  -4.339  12.525
  469   3HD1  LEU  58          3HD1      LEU  58   3.900  -3.142  12.481
  470   1HD2  LEU  58          1HD2      LEU  58   3.059  -5.993  10.182
  471   2HD2  LEU  58          2HD2      LEU  58   4.347  -7.046  10.817
  472   3HD2  LEU  58          3HD2      LEU  58   2.981  -6.615  11.847
  473    H    TYR  59           H        TYR  59   6.588  -2.023  13.058
  474    HA   TYR  59           HA       TYR  59   8.778  -3.745  14.124
  475   1HB   TYR  59          2HB       TYR  59   8.069  -0.879  14.763
  476   2HB   TYR  59          3HB       TYR  59   9.456  -1.777  15.362
  477    HD1  TYR  59           HD1      TYR  59  10.291  -3.151  12.686
  478    HD2  TYR  59           HD2      TYR  59   9.151   0.915  13.640
  479    HE1  TYR  59           HE1      TYR  59  11.637  -2.319  10.790
  480    HE2  TYR  59           HE2      TYR  59  10.537   1.724  11.752
  481    HH   TYR  59           HH       TYR  59  12.178  -0.522   9.441
  482    H    LEU  60           H        LEU  60   8.149  -5.187  15.447
  483    HA   LEU  60           HA       LEU  60   5.813  -5.003  17.207
  484   1HB   LEU  60          2HB       LEU  60   7.937  -7.093  16.581
  485   2HB   LEU  60          3HB       LEU  60   6.891  -7.296  17.960
  486    HG   LEU  60           HG       LEU  60   6.245  -8.572  15.905
  487   1HD1  LEU  60          1HD1      LEU  60   4.692  -8.352  17.681
  488   2HD1  LEU  60          2HD1      LEU  60   4.285  -6.690  17.249
  489   3HD1  LEU  60          3HD1      LEU  60   3.782  -8.030  16.200
  490   1HD2  LEU  60          1HD2      LEU  60   5.273  -5.897  14.850
  491   2HD2  LEU  60          2HD2      LEU  60   6.615  -6.847  14.178
  492   3HD2  LEU  60          3HD2      LEU  60   4.965  -7.489  14.140
  493    H    ASP  61           H        ASP  61   5.882  -5.175  19.455
  494    HA   ASP  61           HA       ASP  61   8.081  -3.923  20.873
  495   1HB   ASP  61          2HB       ASP  61   5.741  -3.898  21.705
  496   2HB   ASP  61          3HB       ASP  61   5.807  -5.654  21.920
  497    H    GLU  62           H        GLU  62   9.516  -4.916  22.317
  498    HA   GLU  62           HA       GLU  62  10.901  -7.302  21.354
  499   1HB   GLU  62          2HB       GLU  62  11.267  -5.427  23.724
  500   2HB   GLU  62          3HB       GLU  62  12.368  -6.759  23.396
  501   1HG   GLU  62          2HG       GLU  62  11.855  -4.642  21.281
  502   2HG   GLU  62          3HG       GLU  62  12.998  -4.394  22.593
  503    H    LEU  63           H        LEU  63   8.207  -7.743  22.234
  504    HA   LEU  63           HA       LEU  63   8.453  -9.901  24.193
  505   1HB   LEU  63          2HB       LEU  63   7.941  -7.452  25.202
  506   2HB   LEU  63          3HB       LEU  63   6.325  -7.788  24.610
  507    HG   LEU  63           HG       LEU  63   6.357  -9.913  26.048
  508   1HD1  LEU  63          1HD1      LEU  63   8.807 -10.181  26.317
  509   2HD1  LEU  63          2HD1      LEU  63   8.895  -8.618  27.147
  510   3HD1  LEU  63          3HD1      LEU  63   8.026  -9.981  27.890
  511   1HD2  LEU  63          1HD2      LEU  63   6.784  -7.246  27.459
  512   2HD2  LEU  63          2HD2      LEU  63   5.254  -7.834  26.779
  513   3HD2  LEU  63          3HD2      LEU  63   5.988  -8.681  28.153
  514    H    SER  64           H        SER  64   7.304  -8.950  21.202
  515    HA   SER  64           HA       SER  64   5.448 -11.223  21.198
  516   1HB   SER  64          2HB       SER  64   3.969  -9.224  21.535
  517   2HB   SER  64          3HB       SER  64   4.548  -8.580  19.979
  518    HG   SER  64           HG       SER  64   2.511  -9.949  19.770
  519    H    ASP  65           H        ASP  65   4.784 -11.741  18.928
  520    HA   ASP  65           HA       ASP  65   6.938 -11.451  16.920
  521   1HB   ASP  65          2HB       ASP  65   6.268 -14.056  18.358
  522   2HB   ASP  65          3HB       ASP  65   7.096 -13.979  16.805
  523    H    ALA  66           H        ALA  66   5.372 -10.576  15.581
  524    HA   ALA  66           HA       ALA  66   2.920 -11.906  14.811
  525   1HB   ALA  66          1HB       ALA  66   3.368  -9.481  14.479
  526   2HB   ALA  66          2HB       ALA  66   4.615  -9.887  13.275
  527   3HB   ALA  66          3HB       ALA  66   2.907 -10.292  12.981
  528    H    ASP  67           H        ASP  67   2.588 -12.624  12.431
  529    HA   ASP  67           HA       ASP  67   4.194 -14.915  12.158
  530   1HB   ASP  67          2HB       ASP  67   2.057 -13.809  10.286
  531   2HB   ASP  67          3HB       ASP  67   2.626 -15.476  10.343
  532    HA   PRO  68           HA       PRO  68   7.284 -13.589   9.322
  533   1HB   PRO  68          2HB       PRO  68   8.353 -15.951   8.477
  534   2HB   PRO  68          3HB       PRO  68   8.381 -15.429  10.183
  535   1HG   PRO  68          2HG       PRO  68   6.342 -17.255   8.859
  536   2HG   PRO  68          3HG       PRO  68   7.305 -17.570  10.343
  537   1HD   PRO  68          2HD       PRO  68   4.783 -16.587  10.490
  538   2HD   PRO  68          3HD       PRO  68   6.062 -16.007  11.598
  539    H    GLY  69           H        GLY  69   5.227 -12.853   8.134
  540   1HA   GLY  69          2HA       GLY  69   5.650 -12.785   5.340
  541   2HA   GLY  69          3HA       GLY  69   4.418 -14.019   5.632
  542    H    ILE  70           H        ILE  70   3.670 -12.097   8.116
  543    HA   ILE  70           HA       ILE  70   1.309 -11.204   7.088
  544    HB   ILE  70           HB       ILE  70   2.347 -11.554   9.479
  545   1HG1  ILE  70          2HG1      ILE  70   0.162  -9.509   9.151
  546   2HG1  ILE  70          3HG1      ILE  70  -0.032 -11.254   8.871
  547   1HG2  ILE  70          1HG2      ILE  70   3.900  -9.614   9.415
  548   2HG2  ILE  70          2HG2      ILE  70   2.489  -8.514   9.384
  549   3HG2  ILE  70          3HG2      ILE  70   2.789  -9.552  10.777
  550   1HD1  ILE  70          1HD1      ILE  70   0.837 -11.664  11.211
  551   2HD1  ILE  70          2HD1      ILE  70   0.680  -9.919  11.500
  552   3HD1  ILE  70          3HD1      ILE  70  -0.753 -10.893  11.118
  553    H    VAL  71           H        VAL  71   4.313  -9.467   6.950
  554    HA   VAL  71           HA       VAL  71   3.229  -6.863   6.159
  555    HB   VAL  71           HB       VAL  71   5.984  -8.121   6.107
  556   1HG1  VAL  71          1HG1      VAL  71   5.997  -6.380   4.429
  557   2HG1  VAL  71          2HG1      VAL  71   5.230  -5.227   5.555
  558   3HG1  VAL  71          3HG1      VAL  71   6.886  -5.812   5.838
  559   1HG2  VAL  71          1HG2      VAL  71   4.755  -6.070   7.993
  560   2HG2  VAL  71          2HG2      VAL  71   5.162  -7.753   8.395
  561   3HG2  VAL  71          3HG2      VAL  71   6.452  -6.604   8.032
  562    H    ASP  72           H        ASP  72   5.016  -9.512   4.536
  563    HA   ASP  72           HA       ASP  72   4.934  -8.530   1.881
  564   1HB   ASP  72          2HB       ASP  72   6.330 -10.418   2.808
  565   2HB   ASP  72          3HB       ASP  72   4.888 -11.434   2.798
  566    H    GLU  73           H        GLU  73   2.565 -10.543   3.701
  567    HA   GLU  73           HA       GLU  73   0.591 -10.711   1.623
  568   1HB   GLU  73          2HB       GLU  73   0.276 -10.522   4.652
  569   2HB   GLU  73          3HB       GLU  73  -1.040 -10.789   3.505
  570   1HG   GLU  73          2HG       GLU  73   0.069 -12.904   2.781
  571   2HG   GLU  73          3HG       GLU  73   1.171 -12.725   4.156
  572    H    ALA  74           H        ALA  74   1.273  -8.053   4.017
  573    HA   ALA  74           HA       ALA  74  -1.143  -6.595   3.333
  574   1HB   ALA  74          1HB       ALA  74   0.277  -6.340   5.463
  575   2HB   ALA  74          2HB       ALA  74   1.433  -5.428   4.468
  576   3HB   ALA  74          3HB       ALA  74  -0.225  -4.835   4.663
  577    H    VAL  75           H        VAL  75   2.211  -6.490   2.242
  578    HA   VAL  75           HA       VAL  75   1.967  -4.279   0.420
  579    HB   VAL  75           HB       VAL  75   3.950  -6.547   0.793
  580   1HG1  VAL  75          1HG1      VAL  75   4.176  -6.008  -1.531
  581   2HG1  VAL  75          2HG1      VAL  75   4.108  -4.256  -1.198
  582   3HG1  VAL  75          3HG1      VAL  75   5.502  -5.227  -0.669
  583   1HG2  VAL  75          1HG2      VAL  75   4.171  -3.538   1.268
  584   2HG2  VAL  75          2HG2      VAL  75   3.771  -4.705   2.532
  585   3HG2  VAL  75          3HG2      VAL  75   5.348  -4.785   1.730
  586    H    ASP  76           H        ASP  76   1.984  -7.864  -0.303
  587    HA   ASP  76           HA       ASP  76   1.089  -7.670  -2.960
  588   1HB   ASP  76          2HB       ASP  76   1.883  -9.750  -1.938
  589   2HB   ASP  76          3HB       ASP  76   0.451  -9.805  -0.898
  590    H    ALA  77           H        ALA  77  -0.919  -7.635   0.066
  591    HA   ALA  77           HA       ALA  77  -3.418  -7.650  -1.315
  592   1HB   ALA  77          1HB       ALA  77  -3.234  -8.107   1.082
  593   2HB   ALA  77          2HB       ALA  77  -2.716  -6.436   1.393
  594   3HB   ALA  77          3HB       ALA  77  -4.352  -6.762   0.790
  595    H    ALA  78           H        ALA  78  -1.269  -4.894  -0.406
  596    HA   ALA  78           HA       ALA  78  -2.974  -2.876  -1.558
  597   1HB   ALA  78          1HB       ALA  78  -1.194  -2.380   0.027
  598   2HB   ALA  78          2HB       ALA  78   0.050  -2.872  -1.147
  599   3HB   ALA  78          3HB       ALA  78  -0.981  -1.463  -1.469
  600    H    TYR  79           H        TYR  79  -0.271  -4.828  -3.002
  601    HA   TYR  79           HA       TYR  79  -0.430  -3.624  -5.589
  602   1HB   TYR  79          2HB       TYR  79   0.479  -6.348  -4.593
  603   2HB   TYR  79          3HB       TYR  79   0.477  -5.966  -6.297
  604    HD1  TYR  79           HD1      TYR  79   2.540  -5.932  -3.405
  605    HD2  TYR  79           HD2      TYR  79   1.564  -3.704  -6.995
  606    HE1  TYR  79           HE1      TYR  79   4.843  -4.891  -3.460
  607    HE2  TYR  79           HE2      TYR  79   3.809  -2.648  -6.984
  608    HH   TYR  79           HH       TYR  79   5.833  -2.605  -6.021
  609    H    ARG  80           H        ARG  80  -2.154  -6.552  -4.358
  610    HA   ARG  80           HA       ARG  80  -3.618  -6.974  -6.820
  611   1HB   ARG  80          2HB       ARG  80  -4.294  -7.920  -4.012
  612   2HB   ARG  80          3HB       ARG  80  -4.962  -8.546  -5.513
  613   1HG   ARG  80          2HG       ARG  80  -2.032  -8.682  -5.631
  614   2HG   ARG  80          3HG       ARG  80  -2.608  -9.351  -4.109
  615   1HD   ARG  80          2HD       ARG  80  -2.436 -11.148  -5.536
  616   2HD   ARG  80          3HD       ARG  80  -4.169 -10.833  -5.434
  617    HE   ARG  80           HE       ARG  80  -3.298  -9.415  -7.738
  618   1HH1  ARG  80          1HH2      ARG  80  -3.167 -12.778  -6.761
  619   2HH1  ARG  80          2HH2      ARG  80  -3.175 -13.354  -8.412
  620   1HH2  ARG  80          1HH1      ARG  80  -3.317 -10.158  -9.799
  621   2HH2  ARG  80          2HH1      ARG  80  -3.235 -11.875 -10.111
  622    H    SER  81           H        SER  81  -4.359  -5.108  -3.851
  623    HA   SER  81           HA       SER  81  -7.002  -4.311  -4.653
  624   1HB   SER  81          2HB       SER  81  -5.002  -2.741  -2.983
  625   2HB   SER  81          3HB       SER  81  -6.748  -2.446  -3.103
  626    HG   SER  81           HG       SER  81  -5.372  -4.670  -2.002
  627    H    LEU  82           H        LEU  82  -3.763  -2.870  -5.368
  628    HA   LEU  82           HA       LEU  82  -4.763  -0.714  -6.936
  629   1HB   LEU  82          2HB       LEU  82  -2.450  -1.023  -5.987
  630   2HB   LEU  82          3HB       LEU  82  -2.125  -2.204  -7.233
  631    HG   LEU  82           HG       LEU  82  -2.468  -0.497  -8.990
  632   1HD1  LEU  82          1HD1      LEU  82  -3.998   1.086  -7.920
  633   2HD1  LEU  82          2HD1      LEU  82  -2.797   1.444  -6.657
  634   3HD1  LEU  82          3HD1      LEU  82  -2.506   1.919  -8.344
  635   1HD2  LEU  82          1HD2      LEU  82  -0.467   0.272  -6.833
  636   2HD2  LEU  82          2HD2      LEU  82  -0.230  -0.931  -8.115
  637   3HD2  LEU  82          3HD2      LEU  82  -0.421   0.783  -8.534
  638    H    GLU  83           H        GLU  83  -3.734  -4.032  -7.870
  639    HA   GLU  83           HA       GLU  83  -4.184  -3.849 -10.660
  640   1HB   GLU  83          2HB       GLU  83  -3.040  -5.622  -9.313
  641   2HB   GLU  83          3HB       GLU  83  -4.619  -6.144  -8.729
  642   1HG   GLU  83          2HG       GLU  83  -5.243  -6.777 -11.043
  643   2HG   GLU  83          3HG       GLU  83  -3.615  -6.311 -11.573
  644    H    SER  84           H        SER  84  -6.531  -4.768  -8.040
  645    HA   SER  84           HA       SER  84  -8.824  -4.803  -9.787
  646   1HB   SER  84          2HB       SER  84  -8.598  -4.406  -6.778
  647   2HB   SER  84          3HB       SER  84 -10.121  -4.635  -7.658
  648    HG   SER  84           HG       SER  84  -9.149  -6.628  -8.463
  649    H    PHE  85           H        PHE  85  -7.262  -2.106  -8.011
  650    HA   PHE  85           HA       PHE  85  -9.374  -0.217  -8.404
  651   1HB   PHE  85          2HB       PHE  85  -7.510   0.004  -6.801
  652   2HB   PHE  85          3HB       PHE  85  -6.372   0.152  -8.121
  653    HD1  PHE  85           HD1      PHE  85  -8.451   1.938  -5.841
  654    HD2  PHE  85           HD2      PHE  85  -6.521   2.166  -9.685
  655    HE1  PHE  85           HE1      PHE  85  -8.442   4.414  -5.687
  656    HE2  PHE  85           HE2      PHE  85  -6.511   4.649  -9.531
  657    HZ   PHE  85           HZ       PHE  85  -7.474   5.773  -7.533
  658    H    LEU  86           H        LEU  86  -6.494  -1.011 -10.510
  659    HA   LEU  86           HA       LEU  86  -7.406   0.873 -12.544
  660   1HB   LEU  86          2HB       LEU  86  -5.413  -1.416 -12.703
  661   2HB   LEU  86          3HB       LEU  86  -5.882  -0.428 -14.074
  662    HG   LEU  86           HG       LEU  86  -3.885   0.497 -13.426
  663   1HD1  LEU  86          1HD1      LEU  86  -5.647   2.250 -13.714
  664   2HD1  LEU  86          2HD1      LEU  86  -5.846   2.308 -11.954
  665   3HD1  LEU  86          3HD1      LEU  86  -4.296   2.755 -12.688
  666   1HD2  LEU  86          1HD2      LEU  86  -3.651  -0.589 -11.223
  667   2HD2  LEU  86          2HD2      LEU  86  -3.164   1.113 -11.210
  668   3HD2  LEU  86          3HD2      LEU  86  -4.726   0.639 -10.517
  669    H    ASP  87           H        ASP  87  -8.071  -2.575 -11.992
  670    HA   ASP  87           HA       ASP  87  -9.638  -3.050 -14.309
  671   1HB   ASP  87          2HB       ASP  87  -8.777  -4.671 -12.520
  672   2HB   ASP  87          3HB       ASP  87 -10.150  -4.170 -11.536
  673    H    GLY  88           H        GLY  88 -10.274  -0.795 -11.774
  674   1HA   GLY  88          2HA       GLY  88 -13.099  -0.479 -12.734
  675   2HA   GLY  88          3HA       GLY  88 -12.543  -0.067 -11.108
  676    H    PHE  89           H        PHE  89 -10.316   0.728 -13.656
  677    HA   PHE  89           HA       PHE  89 -11.325   3.534 -13.821
  678   1HB   PHE  89          2HB       PHE  89  -8.834   2.572 -12.458
  679   2HB   PHE  89          3HB       PHE  89  -8.662   3.989 -13.443
  680    HD1  PHE  89           HD1      PHE  89 -10.685   5.769 -13.133
  681    HD2  PHE  89           HD2      PHE  89  -9.246   3.021 -10.176
  682    HE1  PHE  89           HE1      PHE  89 -11.637   7.217 -11.338
  683    HE2  PHE  89           HE2      PHE  89 -10.218   4.429  -8.382
  684    HZ   PHE  89           HZ       PHE  89 -11.409   6.535  -8.959
  685    H    ARG  90           H        ARG  90  -9.073   1.121 -15.184
  686    HA   ARG  90           HA       ARG  90  -8.645   2.852 -17.575
  687   1HB   ARG  90          2HB       ARG  90  -7.443   0.205 -16.671
  688   2HB   ARG  90          3HB       ARG  90  -7.196   0.877 -18.295
  689   1HG   ARG  90          2HG       ARG  90  -6.306   2.973 -17.325
  690   2HG   ARG  90          3HG       ARG  90  -6.572   2.349 -15.703
  691   1HD   ARG  90          2HD       ARG  90  -4.233   2.108 -16.205
  692   2HD   ARG  90          3HD       ARG  90  -4.955   0.504 -16.156
  693    HE   ARG  90           HE       ARG  90  -4.473   0.204 -18.388
  694   1HH1  ARG  90          1HH2      ARG  90  -4.098   3.635 -17.755
  695   2HH1  ARG  90          2HH2      ARG  90  -3.387   3.955 -19.313
  696   1HH2  ARG  90          1HH1      ARG  90  -3.551   0.667 -20.376
  697   2HH2  ARG  90          2HH1      ARG  90  -3.084   2.294 -20.761
  698    H    GLU  91           H        GLU  91 -10.459   0.038 -16.593
  699    HA   GLU  91           HA       GLU  91 -11.773  -0.217 -19.250
  700   1HB   GLU  91          2HB       GLU  91 -12.013  -1.699 -16.595
  701   2HB   GLU  91          3HB       GLU  91 -13.159  -1.929 -17.915
  702   1HG   GLU  91          2HG       GLU  91 -10.155  -2.403 -18.179
  703   2HG   GLU  91          3HG       GLU  91 -11.318  -3.651 -17.768
  Start of MODEL   15
    1    H    MET   1           H1       MET   1 -12.728   6.113  -8.430
    2    HA   MET   1           HA       MET   1 -12.868   4.748 -10.362
    3   1HB   MET   1          2HB       MET   1 -15.361   4.303  -9.930
    4   2HB   MET   1          3HB       MET   1 -15.687   5.845 -10.739
    5   1HG   MET   1          2HG       MET   1 -14.589   4.999 -12.784
    6   2HG   MET   1          3HG       MET   1 -14.115   3.532 -11.918
    7   1HE   MET   1          1HE       MET   1 -15.339   3.243 -14.682
    8   2HE   MET   1          2HE       MET   1 -14.957   1.878 -13.608
    9   3HE   MET   1          3HE       MET   1 -16.544   1.964 -14.405
   10    H    SER   2           H        SER   2 -12.411   5.674 -12.466
   11    HA   SER   2           HA       SER   2 -11.741   7.247 -13.925
   12   1HB   SER   2          2HB       SER   2 -14.053   8.857 -12.812
   13   2HB   SER   2          3HB       SER   2 -13.237   9.125 -14.361
   14    HG   SER   2           HG       SER   2 -14.030   7.204 -15.108
   15    H    LEU   3           H        LEU   3  -9.701   7.611 -13.111
   16    HA   LEU   3           HA       LEU   3  -8.930   9.718 -11.342
   17   1HB   LEU   3          2HB       LEU   3  -6.749   9.442 -12.298
   18   2HB   LEU   3          3HB       LEU   3  -7.420   7.874 -11.944
   19    HG   LEU   3           HG       LEU   3  -7.660   8.995 -14.760
   20   1HD1  LEU   3          1HD1      LEU   3  -5.313   9.297 -14.143
   21   2HD1  LEU   3          2HD1      LEU   3  -5.208   7.608 -13.595
   22   3HD1  LEU   3          3HD1      LEU   3  -5.475   7.986 -15.317
   23   1HD2  LEU   3          1HD2      LEU   3  -7.227   6.139 -13.796
   24   2HD2  LEU   3          2HD2      LEU   3  -8.784   6.808 -14.346
   25   3HD2  LEU   3          3HD2      LEU   3  -7.449   6.667 -15.465
   26    H    ARG   4           H        ARG   4  -7.588  11.599 -12.097
   27    HA   ARG   4           HA       ARG   4  -8.757  12.975 -14.494
   28   1HB   ARG   4          2HB       ARG   4  -7.450  14.189 -12.011
   29   2HB   ARG   4          3HB       ARG   4  -8.102  15.063 -13.389
   30   1HG   ARG   4          2HG       ARG   4  -9.767  15.290 -11.813
   31   2HG   ARG   4          3HG       ARG   4 -10.370  14.025 -12.872
   32   1HD   ARG   4          2HD       ARG   4  -8.909  12.772 -10.699
   33   2HD   ARG   4          3HD       ARG   4  -9.918  14.006  -9.998
   34    HE   ARG   4           HE       ARG   4 -10.802  11.539 -11.382
   35   1HH1  ARG   4          1HH2      ARG   4 -11.918  14.589 -10.056
   36   2HH1  ARG   4          2HH2      ARG   4 -13.573  14.038  -9.958
   37   1HH2  ARG   4          1HH1      ARG   4 -12.795  10.882 -11.219
   38   2HH2  ARG   4          2HH1      ARG   4 -14.085  11.918 -10.608
   39    H    LYS   5           H        LYS   5  -6.536  14.871 -14.517
   40    HA   LYS   5           HA       LYS   5  -4.518  13.371 -16.028
   41   1HB   LYS   5          2HB       LYS   5  -4.814  16.247 -15.076
   42   2HB   LYS   5          3HB       LYS   5  -3.256  15.650 -15.628
   43   1HG   LYS   5          2HG       LYS   5  -4.391  16.778 -17.437
   44   2HG   LYS   5          3HG       LYS   5  -4.137  15.073 -17.815
   45   1HD   LYS   5          2HD       LYS   5  -6.503  14.580 -17.358
   46   2HD   LYS   5          3HD       LYS   5  -6.777  16.268 -16.858
   47   1HE   LYS   5          2HE       LYS   5  -6.149  17.037 -19.124
   48   2HE   LYS   5          3HE       LYS   5  -5.813  15.369 -19.611
   49   1HZ   LYS   5          1HZ       LYS   5  -8.144  14.848 -19.224
   50   2HZ   LYS   5          2HZ       LYS   5  -8.461  16.398 -18.774
   51   3HZ   LYS   5          3HZ       LYS   5  -8.012  16.065 -20.320
   52    H    LEU   6           H        LEU   6  -2.741  12.373 -15.214
   53    HA   LEU   6           HA       LEU   6  -2.603  11.941 -12.403
   54   1HB   LEU   6          2HB       LEU   6  -0.629  11.175 -14.610
   55   2HB   LEU   6          3HB       LEU   6  -0.635  10.586 -12.956
   56    HG   LEU   6           HG       LEU   6  -3.160   9.926 -13.547
   57   1HD1  LEU   6          1HD1      LEU   6  -3.286  10.707 -15.840
   58   2HD1  LEU   6          2HD1      LEU   6  -1.768   9.867 -16.259
   59   3HD1  LEU   6          3HD1      LEU   6  -3.238   8.955 -15.872
   60   1HD2  LEU   6          1HD2      LEU   6  -0.734   8.303 -14.431
   61   2HD2  LEU   6          2HD2      LEU   6  -1.420   8.358 -12.790
   62   3HD2  LEU   6          3HD2      LEU   6  -2.361   7.655 -14.107
   63    H    THR   7           H        THR   7  -1.839  13.295 -10.982
   64    HA   THR   7           HA       THR   7   0.547  14.996 -11.416
   65    HB   THR   7           HB       THR   7  -1.500  16.151 -12.316
   66    HG1  THR   7           1HG      THR   7  -1.054  18.043 -11.252
   67   1HG2  THR   7          1HG2      THR   7  -3.186  15.265 -10.643
   68   2HG2  THR   7          2HG2      THR   7  -2.435  16.309  -9.416
   69   3HG2  THR   7          3HG2      THR   7  -3.204  17.019 -10.846
   70    H    GLU   8           H        GLU   8   0.906  16.245  -9.377
   71    HA   GLU   8           HA       GLU   8   1.133  14.735  -6.997
   72   1HB   GLU   8          2HB       GLU   8   1.298  17.759  -7.343
   73   2HB   GLU   8          3HB       GLU   8   1.925  16.808  -5.998
   74   1HG   GLU   8          2HG       GLU   8   3.852  17.048  -7.144
   75   2HG   GLU   8          3HG       GLU   8   3.305  15.545  -7.873
   76    H    GLY   9           H        GLY   9  -1.494  14.498  -7.612
   77   1HA   GLY   9          2HA       GLY   9  -2.853  15.196  -5.122
   78   2HA   GLY   9          3HA       GLY   9  -3.594  15.838  -6.615
   79    H    ASP  10           H        ASP  10  -3.605  14.050  -8.491
   80    HA   ASP  10           HA       ASP  10  -5.179  11.793  -7.703
   81   1HB   ASP  10          2HB       ASP  10  -3.607  12.509 -10.210
   82   2HB   ASP  10          3HB       ASP  10  -4.412  10.951 -10.051
   83    H    LEU  11           H        LEU  11  -1.664  12.073  -8.417
   84    HA   LEU  11           HA       LEU  11  -1.118   9.257  -8.071
   85   1HB   LEU  11          2HB       LEU  11   0.648  11.745  -7.945
   86   2HB   LEU  11          3HB       LEU  11   1.264  10.112  -7.908
   87    HG   LEU  11           HG       LEU  11  -0.340  11.284 -10.229
   88   1HD1  LEU  11          1HD1      LEU  11   1.881  12.337  -9.967
   89   2HD1  LEU  11          2HD1      LEU  11   2.646  10.732  -9.980
   90   3HD1  LEU  11          3HD1      LEU  11   1.797  11.337 -11.423
   91   1HD2  LEU  11          1HD2      LEU  11   1.116   8.631  -9.915
   92   2HD2  LEU  11          2HD2      LEU  11  -0.622   8.873 -10.198
   93   3HD2  LEU  11          3HD2      LEU  11   0.550   9.274 -11.460
   94    H    ASP  12           H        ASP  12  -1.024  12.056  -5.815
   95    HA   ASP  12           HA       ASP  12  -0.063  10.363  -3.703
   96   1HB   ASP  12          2HB       ASP  12   0.356  12.858  -3.826
   97   2HB   ASP  12          3HB       ASP  12  -1.289  13.061  -3.194
   98    H    GLU  13           H        GLU  13  -3.377  11.388  -4.659
   99    HA   GLU  13           HA       GLU  13  -4.751  10.171  -2.486
  100   1HB   GLU  13          2HB       GLU  13  -5.817  11.516  -4.288
  101   2HB   GLU  13          3HB       GLU  13  -5.530  10.199  -5.435
  102   1HG   GLU  13          2HG       GLU  13  -6.956   8.700  -4.021
  103   2HG   GLU  13          3HG       GLU  13  -7.250  10.047  -2.919
  104    H    ILE  14           H        ILE  14  -3.434   8.669  -5.475
  105    HA   ILE  14           HA       ILE  14  -4.094   5.969  -4.733
  106    HB   ILE  14           HB       ILE  14  -2.062   7.140  -6.633
  107   1HG1  ILE  14          2HG1      ILE  14  -4.648   5.614  -7.189
  108   2HG1  ILE  14          3HG1      ILE  14  -4.580   7.367  -7.082
  109   1HG2  ILE  14          1HG2      ILE  14  -1.171   4.983  -5.949
  110   2HG2  ILE  14          2HG2      ILE  14  -2.753   4.205  -6.173
  111   3HG2  ILE  14          3HG2      ILE  14  -1.831   4.814  -7.567
  112   1HD1  ILE  14          1HD1      ILE  14  -2.928   7.422  -8.952
  113   2HD1  ILE  14          2HD1      ILE  14  -3.159   5.668  -9.162
  114   3HD1  ILE  14          3HD1      ILE  14  -4.520   6.773  -9.395
  115    H    SER  15           H        SER  15  -1.054   7.897  -4.170
  116    HA   SER  15           HA       SER  15   0.348   5.853  -2.828
  117   1HB   SER  15          2HB       SER  15   1.917   7.406  -2.563
  118   2HB   SER  15          3HB       SER  15   0.859   8.531  -3.397
  119    HG   SER  15           HG       SER  15   0.876   9.691  -1.523
  120    H    SER  16           H        SER  16  -1.935   8.203  -1.487
  121    HA   SER  16           HA       SER  16  -1.863   7.307   1.228
  122   1HB   SER  16          2HB       SER  16  -2.700   9.505   0.595
  123   2HB   SER  16          3HB       SER  16  -3.995   8.781  -0.372
  124    HG   SER  16           HG       SER  16  -3.693   8.376   2.431
  125    H    PHE  17           H        PHE  17  -4.104   6.435  -1.495
  126    HA   PHE  17           HA       PHE  17  -5.718   4.615  -0.022
  127   1HB   PHE  17          2HB       PHE  17  -6.375   5.396  -2.201
  128   2HB   PHE  17          3HB       PHE  17  -4.905   4.786  -2.942
  129    HD1  PHE  17           HD1      PHE  17  -7.973   3.605  -1.124
  130    HD2  PHE  17           HD2      PHE  17  -4.850   2.652  -3.942
  131    HE1  PHE  17           HE1      PHE  17  -9.070   1.429  -1.612
  132    HE2  PHE  17           HE2      PHE  17  -5.953   0.477  -4.425
  133    HZ   PHE  17           HZ       PHE  17  -8.056  -0.132  -3.258
  134    H    LEU  18           H        LEU  18  -2.640   4.029  -1.790
  135    HA   LEU  18           HA       LEU  18  -2.540   1.213  -1.164
  136   1HB   LEU  18          2HB       LEU  18  -0.467   3.273  -2.001
  137   2HB   LEU  18          3HB       LEU  18  -0.076   1.561  -1.808
  138    HG   LEU  18           HG       LEU  18  -2.265   2.565  -3.690
  139   1HD1  LEU  18          1HD1      LEU  18  -0.123   3.464  -4.425
  140   2HD1  LEU  18          2HD1      LEU  18   0.629   1.857  -4.317
  141   3HD1  LEU  18          3HD1      LEU  18  -0.652   2.181  -5.512
  142   1HD2  LEU  18          1HD2      LEU  18  -0.845  -0.118  -3.444
  143   2HD2  LEU  18          2HD2      LEU  18  -2.551   0.215  -3.062
  144   3HD2  LEU  18          3HD2      LEU  18  -1.980   0.357  -4.714
  145    H    HIS  19           H        HIS  19  -1.016   4.070   0.455
  146    HA   HIS  19           HA       HIS  19   0.268   2.586   2.501
  147   1HB   HIS  19          2HB       HIS  19   0.741   4.934   2.037
  148   2HB   HIS  19          3HB       HIS  19  -0.890   5.395   2.517
  149    HD1  HIS  19           HD1      HIS  19   0.377   7.029   4.320
  150    HD2  HIS  19           HD2      HIS  19   0.784   2.893   4.899
  151    HE1  HIS  19           HE1      HIS  19   1.213   6.697   6.716
  152    H    ASN  20           H        ASN  20  -3.069   4.053   2.534
  153    HA   ASN  20           HA       ASN  20  -3.771   2.903   5.063
  154   1HB   ASN  20          2HB       ASN  20  -5.246   4.215   2.828
  155   2HB   ASN  20          3HB       ASN  20  -6.179   3.029   3.737
  156   1HD2  ASN  20          2HD2      ASN  20  -6.346   3.219   6.120
  157   2HD2  ASN  20          1HD2      ASN  20  -6.185   4.860   6.774
  158    H    THR  21           H        THR  21  -4.030   1.495   1.748
  159    HA   THR  21           HA       THR  21  -5.531  -0.769   2.544
  160    HB   THR  21           HB       THR  21  -3.445  -0.609   0.329
  161    HG1  THR  21           1HG      THR  21  -5.074   0.932   0.059
  162   1HG2  THR  21          1HG2      THR  21  -4.042  -2.949   0.699
  163   2HG2  THR  21          2HG2      THR  21  -5.768  -2.528   0.811
  164   3HG2  THR  21          3HG2      THR  21  -4.911  -2.359  -0.730
  165    H    ILE  22           H        ILE  22  -1.946  -0.371   2.536
  166    HA   ILE  22           HA       ILE  22  -1.461  -2.996   3.716
  167    HB   ILE  22           HB       ILE  22   0.247  -0.490   3.715
  168   1HG1  ILE  22          2HG1      ILE  22   0.186  -2.836   1.793
  169   2HG1  ILE  22          3HG1      ILE  22  -0.224  -1.151   1.444
  170   1HG2  ILE  22          1HG2      ILE  22   0.893  -2.362   5.420
  171   2HG2  ILE  22          2HG2      ILE  22   1.259  -3.349   3.988
  172   3HG2  ILE  22          3HG2      ILE  22   2.139  -1.860   4.295
  173   1HD1  ILE  22          1HD1      ILE  22   2.223  -0.637   2.208
  174   2HD1  ILE  22          2HD1      ILE  22   2.466  -2.380   1.903
  175   3HD1  ILE  22          3HD1      ILE  22   1.881  -1.316   0.582
  176    H    SER  23           H        SER  23  -1.701   0.351   5.083
  177    HA   SER  23           HA       SER  23  -1.017  -0.352   7.731
  178   1HB   SER  23          2HB       SER  23  -1.099   1.965   6.773
  179   2HB   SER  23          3HB       SER  23  -2.871   1.895   6.864
  180    HG   SER  23           HG       SER  23  -0.962   1.944   8.935
  181    H    ASP  24           H        ASP  24  -4.338  -0.053   6.308
  182    HA   ASP  24           HA       ASP  24  -5.709  -0.952   8.667
  183   1HB   ASP  24          2HB       ASP  24  -6.499  -0.778   5.738
  184   2HB   ASP  24          3HB       ASP  24  -7.579  -1.365   6.995
  185    H    PHE  25           H        PHE  25  -4.279  -2.785   5.881
  186    HA   PHE  25           HA       PHE  25  -5.382  -5.325   6.699
  187   1HB   PHE  25          2HB       PHE  25  -4.336  -4.905   4.501
  188   2HB   PHE  25          3HB       PHE  25  -2.776  -4.668   5.258
  189    HD1  PHE  25           HD1      PHE  25  -4.903  -7.032   3.664
  190    HD2  PHE  25           HD2      PHE  25  -1.742  -6.686   6.575
  191    HE1  PHE  25           HE1      PHE  25  -4.408  -9.449   3.423
  192    HE2  PHE  25           HE2      PHE  25  -1.222  -9.088   6.289
  193    HZ   PHE  25           HZ       PHE  25  -2.588 -10.487   4.759
  194    H    ILE  26           H        ILE  26  -2.281  -3.628   7.593
  195    HA   ILE  26           HA       ILE  26  -1.380  -5.645   9.384
  196    HB   ILE  26           HB       ILE  26  -0.771  -2.709   8.942
  197   1HG1  ILE  26          2HG1      ILE  26   0.849  -5.279   8.574
  198   2HG1  ILE  26          3HG1      ILE  26  -0.013  -4.431   7.293
  199   1HG2  ILE  26          1HG2      ILE  26  -0.471  -3.029  11.327
  200   2HG2  ILE  26          2HG2      ILE  26   0.479  -4.513  11.044
  201   3HG2  ILE  26          3HG2      ILE  26   1.089  -2.912  10.551
  202   1HD1  ILE  26          1HD1      ILE  26   1.440  -2.401   7.756
  203   2HD1  ILE  26          2HD1      ILE  26   2.428  -3.444   8.806
  204   3HD1  ILE  26          3HD1      ILE  26   2.274  -3.822   7.088
  205    H    LEU  27           H        LEU  27  -3.199  -2.593  10.053
  206    HA   LEU  27           HA       LEU  27  -3.502  -2.969  12.834
  207   1HB   LEU  27          2HB       LEU  27  -4.796  -1.345  10.678
  208   2HB   LEU  27          3HB       LEU  27  -5.808  -1.615  12.060
  209    HG   LEU  27           HG       LEU  27  -4.579   0.507  12.144
  210   1HD1  LEU  27          1HD1      LEU  27  -5.400  -0.638  14.192
  211   2HD1  LEU  27          2HD1      LEU  27  -3.797  -1.373  14.404
  212   3HD1  LEU  27          3HD1      LEU  27  -3.993   0.396  14.473
  213   1HD2  LEU  27          1HD2      LEU  27  -2.060  -1.159  12.574
  214   2HD2  LEU  27          2HD2      LEU  27  -2.426  -0.165  11.146
  215   3HD2  LEU  27          3HD2      LEU  27  -2.210   0.603  12.724
  216    H    LYS  28           H        LYS  28  -5.171  -4.660  10.289
  217    HA   LYS  28           HA       LYS  28  -6.953  -5.916  12.332
  218   1HB   LYS  28          2HB       LYS  28  -7.296  -5.711   9.316
  219   2HB   LYS  28          3HB       LYS  28  -8.412  -6.499  10.447
  220   1HG   LYS  28          2HG       LYS  28  -8.661  -4.300  11.670
  221   2HG   LYS  28          3HG       LYS  28  -7.657  -3.533  10.446
  222   1HD   LYS  28          2HD       LYS  28  -9.867  -3.022   9.869
  223   2HD   LYS  28          3HD       LYS  28  -9.340  -4.245   8.698
  224   1HE   LYS  28          2HE       LYS  28 -10.507  -6.000   9.971
  225   2HE   LYS  28          3HE       LYS  28 -10.899  -4.845  11.254
  226   1HZ   LYS  28          1HZ       LYS  28 -12.238  -3.614   9.662
  227   2HZ   LYS  28          2HZ       LYS  28 -11.891  -4.687   8.469
  228   3HZ   LYS  28          3HZ       LYS  28 -12.778  -5.164   9.773
  229    H    ARG  29           H        ARG  29  -4.027  -6.527  11.110
  230    HA   ARG  29           HA       ARG  29  -4.366  -9.510  11.403
  231   1HB   ARG  29          2HB       ARG  29  -2.557  -7.796   9.716
  232   2HB   ARG  29          3HB       ARG  29  -1.791  -9.102  10.560
  233   1HG   ARG  29          2HG       ARG  29  -2.264  -9.989   8.493
  234   2HG   ARG  29          3HG       ARG  29  -3.455 -10.721   9.555
  235   1HD   ARG  29          2HD       ARG  29  -3.956  -8.356   7.695
  236   2HD   ARG  29          3HD       ARG  29  -4.232 -10.052   7.272
  237    HE   ARG  29           HE       ARG  29  -5.597  -9.115   9.695
  238   1HH1  ARG  29          1HH2      ARG  29  -5.958  -9.484   6.234
  239   2HH1  ARG  29          2HH2      ARG  29  -7.703  -9.449   6.310
  240   1HH2  ARG  29          1HH1      ARG  29  -7.676  -8.987   9.784
  241   2HH2  ARG  29          2HH1      ARG  29  -8.713  -9.223   8.369
  242    H    VAL  30           H        VAL  30  -2.468  -6.695  12.600
  243    HA   VAL  30           HA       VAL  30  -1.800  -8.256  15.045
  244    HB   VAL  30           HB       VAL  30   0.274  -6.605  13.542
  245   1HG1  VAL  30          1HG1      VAL  30   0.784  -6.803  15.896
  246   2HG1  VAL  30          2HG1      VAL  30   0.381  -8.541  15.897
  247   3HG1  VAL  30          3HG1      VAL  30   1.815  -7.964  15.055
  248   1HG2  VAL  30          1HG2      VAL  30  -0.043  -9.632  13.516
  249   2HG2  VAL  30          2HG2      VAL  30  -0.130  -8.533  12.115
  250   3HG2  VAL  30          3HG2      VAL  30   1.395  -8.746  12.956
  251    H    SER  31           H        SER  31  -1.437  -6.887  16.957
  252    HA   SER  31           HA       SER  31  -3.271  -4.638  16.795
  253   1HB   SER  31          2HB       SER  31  -3.274  -6.281  18.631
  254   2HB   SER  31          3HB       SER  31  -1.668  -5.717  19.143
  255    HG   SER  31           HG       SER  31  -3.633  -4.772  20.165
  256    H    ALA  32           H        ALA  32  -2.900  -2.478  16.837
  257    HA   ALA  32           HA       ALA  32  -0.429  -1.166  16.758
  258   1HB   ALA  32          1HB       ALA  32  -2.536  -0.095  16.190
  259   2HB   ALA  32          2HB       ALA  32  -3.097  -0.210  17.877
  260   3HB   ALA  32          3HB       ALA  32  -1.716   0.828  17.457
  261    H    LYS  33           H        LYS  33  -1.982  -2.624  19.585
  262    HA   LYS  33           HA       LYS  33  -0.355  -1.182  21.545
  263   1HB   LYS  33          2HB       LYS  33  -2.515  -2.056  22.209
  264   2HB   LYS  33          3HB       LYS  33  -2.057  -3.706  21.742
  265   1HG   LYS  33          2HG       LYS  33  -0.450  -3.880  23.491
  266   2HG   LYS  33          3HG       LYS  33  -0.533  -2.140  23.843
  267   1HD   LYS  33          2HD       LYS  33  -2.689  -2.369  24.866
  268   2HD   LYS  33          3HD       LYS  33  -2.885  -4.020  24.248
  269   1HE   LYS  33          2HE       LYS  33  -2.252  -3.968  26.667
  270   2HE   LYS  33          3HE       LYS  33  -1.128  -4.873  25.644
  271   1HZ   LYS  33          1HZ       LYS  33   0.339  -2.962  25.637
  272   2HZ   LYS  33          2HZ       LYS  33  -0.682  -2.107  26.597
  273   3HZ   LYS  33          3HZ       LYS  33   0.066  -3.456  27.179
  274    H    GLU  34           H        GLU  34   0.303  -3.896  19.436
  275    HA   GLU  34           HA       GLU  34   2.734  -4.553  21.067
  276   1HB   GLU  34          2HB       GLU  34   2.565  -6.771  20.496
  277   2HB   GLU  34          3HB       GLU  34   0.897  -6.313  20.829
  278   1HG   GLU  34          2HG       GLU  34   0.783  -5.923  18.215
  279   2HG   GLU  34          3HG       GLU  34   2.227  -6.917  18.170
  280    H    ILE  35           H        ILE  35   1.845  -2.824  18.484
  281    HA   ILE  35           HA       ILE  35   4.302  -3.300  16.869
  282    HB   ILE  35           HB       ILE  35   1.694  -1.810  16.438
  283   1HG1  ILE  35          2HG1      ILE  35   3.066  -4.011  14.830
  284   2HG1  ILE  35          3HG1      ILE  35   1.846  -4.322  16.054
  285   1HG2  ILE  35          1HG2      ILE  35   3.457  -0.354  15.538
  286   2HG2  ILE  35          2HG2      ILE  35   4.137  -1.719  14.616
  287   3HG2  ILE  35          3HG2      ILE  35   2.521  -1.065  14.245
  288   1HD1  ILE  35          1HD1      ILE  35   1.409  -2.821  13.454
  289   2HD1  ILE  35          2HD1      ILE  35   0.776  -4.400  13.924
  290   3HD1  ILE  35          3HD1      ILE  35   0.204  -2.945  14.762
  291    H    VAL  36           H        VAL  36   5.984  -2.029  17.173
  292    HA   VAL  36           HA       VAL  36   5.982   0.289  18.993
  293    HB   VAL  36           HB       VAL  36   8.090  -1.015  17.210
  294   1HG1  VAL  36          1HG1      VAL  36   8.624   1.334  17.251
  295   2HG1  VAL  36          2HG1      VAL  36   8.385   1.410  19.016
  296   3HG1  VAL  36          3HG1      VAL  36   9.734   0.476  18.324
  297   1HG2  VAL  36          1HG2      VAL  36   7.841  -0.826  20.242
  298   2HG2  VAL  36          2HG2      VAL  36   7.480  -2.262  19.265
  299   3HG2  VAL  36          3HG2      VAL  36   9.132  -1.648  19.336
  300    H    ASP  37           H        ASP  37   6.520  -0.325  15.476
  301    HA   ASP  37           HA       ASP  37   4.846   1.875  14.751
  302   1HB   ASP  37          2HB       ASP  37   7.278   2.873  15.432
  303   2HB   ASP  37          3HB       ASP  37   7.638   2.436  13.774
  304    H    ILE  38           H        ILE  38   5.178   2.386  12.277
  305    HA   ILE  38           HA       ILE  38   6.024  -0.008  10.722
  306    HB   ILE  38           HB       ILE  38   4.029   0.346   9.201
  307   1HG1  ILE  38          2HG1      ILE  38   2.812   1.760  11.619
  308   2HG1  ILE  38          3HG1      ILE  38   3.190   2.501  10.063
  309   1HG2  ILE  38          1HG2      ILE  38   4.350  -1.586  10.660
  310   2HG2  ILE  38          2HG2      ILE  38   3.460  -0.770  11.966
  311   3HG2  ILE  38          3HG2      ILE  38   2.651  -1.211  10.438
  312   1HD1  ILE  38          1HD1      ILE  38   1.554   0.922   8.972
  313   2HD1  ILE  38          2HD1      ILE  38   1.058   0.408  10.603
  314   3HD1  ILE  38          3HD1      ILE  38   0.848   2.091  10.106
  315    H    ASP  39           H        ASP  39   7.182   0.450   8.996
  316    HA   ASP  39           HA       ASP  39   7.278   3.280   7.978
  317   1HB   ASP  39          2HB       ASP  39   9.240   0.971   7.745
  318   2HB   ASP  39          3HB       ASP  39   9.235   2.311   6.609
  319    H    ILE  40           H        ILE  40   5.949   3.583   6.254
  320    HA   ILE  40           HA       ILE  40   5.843   1.438   4.212
  321    HB   ILE  40           HB       ILE  40   3.419   2.912   5.280
  322   1HG1  ILE  40          2HG1      ILE  40   3.882  -0.060   4.813
  323   2HG1  ILE  40          3HG1      ILE  40   4.254   0.701   6.367
  324   1HG2  ILE  40          1HG2      ILE  40   3.291   2.958   2.823
  325   2HG2  ILE  40          2HG2      ILE  40   3.789   1.248   2.731
  326   3HG2  ILE  40          3HG2      ILE  40   2.206   1.694   3.386
  327   1HD1  ILE  40          1HD1      ILE  40   1.901   1.353   6.633
  328   2HD1  ILE  40          2HD1      ILE  40   1.524   0.513   5.107
  329   3HD1  ILE  40          3HD1      ILE  40   2.149  -0.407   6.480
  330    H    THR  41           H        THR  41   6.605   2.121   2.427
  331    HA   THR  41           HA       THR  41   6.535   5.035   1.721
  332    HB   THR  41           HB       THR  41   8.698   2.962   1.183
  333    HG1  THR  41           1HG      THR  41   9.888   4.307   2.507
  334   1HG2  THR  41          1HG2      THR  41   8.552   4.488  -0.739
  335   2HG2  THR  41          2HG2      THR  41   8.504   5.894   0.352
  336   3HG2  THR  41          3HG2      THR  41   9.970   4.894   0.235
  337    H    VAL  42           H        VAL  42   5.201   5.367   0.085
  338    HA   VAL  42           HA       VAL  42   5.027   3.369  -2.124
  339    HB   VAL  42           HB       VAL  42   2.863   5.322  -1.255
  340   1HG1  VAL  42          1HG1      VAL  42   2.822   4.991  -3.673
  341   2HG1  VAL  42          2HG1      VAL  42   3.027   3.236  -3.483
  342   3HG1  VAL  42          3HG1      VAL  42   1.532   4.024  -2.956
  343   1HG2  VAL  42          1HG2      VAL  42   2.951   2.279  -1.069
  344   2HG2  VAL  42          2HG2      VAL  42   3.029   3.399   0.308
  345   3HG2  VAL  42          3HG2      VAL  42   1.565   3.319  -0.666
  346    H    LEU  43           H        LEU  43   5.995   4.032  -3.886
  347    HA   LEU  43           HA       LEU  43   6.193   6.947  -4.529
  348   1HB   LEU  43          2HB       LEU  43   8.303   4.890  -4.325
  349   2HB   LEU  43          3HB       LEU  43   8.234   5.615  -5.923
  350    HG   LEU  43           HG       LEU  43   8.422   7.879  -4.919
  351   1HD1  LEU  43          1HD1      LEU  43   7.529   7.483  -2.657
  352   2HD1  LEU  43          2HD1      LEU  43   8.861   6.360  -2.311
  353   3HD1  LEU  43          3HD1      LEU  43   9.184   8.090  -2.559
  354   1HD2  LEU  43          1HD2      LEU  43  10.614   5.925  -4.097
  355   2HD2  LEU  43          2HD2      LEU  43  10.412   6.641  -5.709
  356   3HD2  LEU  43          3HD2      LEU  43  10.804   7.679  -4.326
  357    H    VAL  44           H        VAL  44   5.595   7.531  -6.620
  358    HA   VAL  44           HA       VAL  44   5.016   5.377  -8.552
  359    HB   VAL  44           HB       VAL  44   2.888   5.713  -7.410
  360   1HG1  VAL  44          1HG1      VAL  44   3.112   8.027  -6.634
  361   2HG1  VAL  44          2HG1      VAL  44   3.019   8.609  -8.309
  362   3HG1  VAL  44          3HG1      VAL  44   1.627   7.787  -7.557
  363   1HG2  VAL  44          1HG2      VAL  44   2.829   6.892 -10.217
  364   2HG2  VAL  44          2HG2      VAL  44   2.950   5.164  -9.832
  365   3HG2  VAL  44          3HG2      VAL  44   1.503   6.073  -9.365
  366    H    GLU  45           H        GLU  45   5.475   5.883 -10.612
  367    HA   GLU  45           HA       GLU  45   6.441   8.621 -11.282
  368   1HB   GLU  45          2HB       GLU  45   8.204   7.262 -10.054
  369   2HB   GLU  45          3HB       GLU  45   8.064   6.050 -11.316
  370   1HG   GLU  45          2HG       GLU  45   8.752   7.979 -12.940
  371   2HG   GLU  45          3HG       GLU  45   9.259   8.822 -11.476
  372    H    TYR  46           H        TYR  46   6.726   8.889 -13.618
  373    HA   TYR  46           HA       TYR  46   5.902   6.604 -15.319
  374   1HB   TYR  46          2HB       TYR  46   3.927   8.102 -14.620
  375   2HB   TYR  46          3HB       TYR  46   4.624   9.335 -15.652
  376    HD1  TYR  46           HD1      TYR  46   1.881   8.047 -15.755
  377    HD2  TYR  46           HD2      TYR  46   5.511   7.118 -17.905
  378    HE1  TYR  46           HE1      TYR  46   0.565   6.814 -17.465
  379    HE2  TYR  46           HE2      TYR  46   4.193   5.900 -19.597
  380    HH   TYR  46           HH       TYR  46   2.160   4.922 -20.030
  381    H    THR  47           H        THR  47   7.772   6.346 -16.293
  382    HA   THR  47           HA       THR  47   9.247   8.648 -17.492
  383    HB   THR  47           HB       THR  47  11.322   7.165 -16.797
  384    HG1  THR  47           1HG      THR  47  10.564   6.600 -14.363
  385   1HG2  THR  47          1HG2      THR  47  10.908   9.510 -16.155
  386   2HG2  THR  47          2HG2      THR  47   9.854   8.967 -14.832
  387   3HG2  THR  47          3HG2      THR  47  11.590   8.571 -14.821
  388    H    ASP  48           H        ASP  48   8.230   8.166 -19.365
  389    HA   ASP  48           HA       ASP  48   7.836   7.318 -21.386
  390   1HB   ASP  48          2HB       ASP  48  10.351   6.833 -21.363
  391   2HB   ASP  48          3HB       ASP  48   9.919   5.153 -21.033
  392    H    GLU  49           H        GLU  49   8.077   4.910 -18.804
  393    HA   GLU  49           HA       GLU  49   5.333   4.028 -19.491
  394   1HB   GLU  49          2HB       GLU  49   6.932   2.312 -20.271
  395   2HB   GLU  49          3HB       GLU  49   7.584   2.175 -18.640
  396   1HG   GLU  49          2HG       GLU  49   6.035   0.343 -19.221
  397   2HG   GLU  49          3HG       GLU  49   5.494   1.239 -17.820
  398    H    LEU  50           H        LEU  50   4.168   3.156 -17.631
  399    HA   LEU  50           HA       LEU  50   4.546   4.847 -15.252
  400   1HB   LEU  50          2HB       LEU  50   2.335   4.598 -16.230
  401   2HB   LEU  50          3HB       LEU  50   2.468   2.844 -16.222
  402    HG   LEU  50           HG       LEU  50   2.364   2.818 -13.745
  403   1HD1  LEU  50          1HD1      LEU  50   3.263   5.043 -13.195
  404   2HD1  LEU  50          2HD1      LEU  50   1.874   5.818 -13.983
  405   3HD1  LEU  50          3HD1      LEU  50   1.656   4.833 -12.513
  406   1HD2  LEU  50          1HD2      LEU  50   0.086   4.355 -15.039
  407   2HD2  LEU  50          2HD2      LEU  50   0.326   2.591 -15.106
  408   3HD2  LEU  50          3HD2      LEU  50   0.007   3.377 -13.553
  409    H    LYS  51           H        LYS  51   5.473   4.215 -13.404
  410    HA   LYS  51           HA       LYS  51   5.413   1.352 -12.626
  411   1HB   LYS  51          2HB       LYS  51   7.757   1.575 -11.746
  412   2HB   LYS  51          3HB       LYS  51   7.594   1.456 -13.489
  413   1HG   LYS  51          2HG       LYS  51   8.445   3.508 -13.900
  414   2HG   LYS  51          3HG       LYS  51   7.617   4.265 -12.552
  415   1HD   LYS  51          2HD       LYS  51  10.125   2.565 -12.247
  416   2HD   LYS  51          3HD       LYS  51  10.079   4.331 -12.356
  417   1HE   LYS  51          2HE       LYS  51   8.334   4.181 -10.399
  418   2HE   LYS  51          3HE       LYS  51   8.951   2.544 -10.161
  419   1HZ   LYS  51          1HZ       LYS  51  11.154   3.524  -9.872
  420   2HZ   LYS  51          2HZ       LYS  51  10.533   5.057 -10.058
  421   3HZ   LYS  51          3HZ       LYS  51  10.065   4.066  -8.767
  422    H    VAL  52           H        VAL  52   5.403   0.933 -10.469
  423    HA   VAL  52           HA       VAL  52   5.128   3.163  -8.561
  424    HB   VAL  52           HB       VAL  52   2.876   2.829  -9.213
  425   1HG1  VAL  52          1HG1      VAL  52   2.942   0.647 -10.296
  426   2HG1  VAL  52          2HG1      VAL  52   3.176  -0.156  -8.720
  427   3HG1  VAL  52          3HG1      VAL  52   1.668   0.705  -9.089
  428   1HG2  VAL  52          1HG2      VAL  52   3.245   1.335  -6.589
  429   2HG2  VAL  52          2HG2      VAL  52   3.264   3.102  -6.787
  430   3HG2  VAL  52          3HG2      VAL  52   1.793   2.188  -7.144
  431    H    ASP  53           H        ASP  53   6.006   2.765  -6.679
  432    HA   ASP  53           HA       ASP  53   7.334   0.128  -6.234
  433   1HB   ASP  53          2HB       ASP  53   8.323   2.813  -5.239
  434   2HB   ASP  53          3HB       ASP  53   9.203   1.300  -5.345
  435    H    ILE  54           H        ILE  54   6.779  -0.827  -4.306
  436    HA   ILE  54           HA       ILE  54   5.643   0.857  -2.119
  437    HB   ILE  54           HB       ILE  54   4.613  -1.879  -2.956
  438   1HG1  ILE  54          2HG1      ILE  54   3.345   0.875  -3.267
  439   2HG1  ILE  54          3HG1      ILE  54   3.798  -0.241  -4.559
  440   1HG2  ILE  54          1HG2      ILE  54   4.568  -1.376  -0.472
  441   2HG2  ILE  54          2HG2      ILE  54   3.542   0.022  -0.828
  442   3HG2  ILE  54          3HG2      ILE  54   2.992  -1.632  -1.204
  443   1HD1  ILE  54          1HD1      ILE  54   2.099  -1.883  -3.656
  444   2HD1  ILE  54          2HD1      ILE  54   1.548  -0.617  -2.532
  445   3HD1  ILE  54          3HD1      ILE  54   1.421  -0.374  -4.294
  446    H    SER  55           H        SER  55   6.760   0.623  -0.303
  447    HA   SER  55           HA       SER  55   7.898  -2.056   0.357
  448   1HB   SER  55          2HB       SER  55   9.339   0.605   0.628
  449   2HB   SER  55          3HB       SER  55   9.855  -0.905   1.419
  450    HG   SER  55           HG       SER  55   9.241  -1.171  -1.248
  451    H    ALA  56           H        ALA  56   7.400  -2.743   2.371
  452    HA   ALA  56           HA       ALA  56   6.437  -0.776   4.352
  453   1HB   ALA  56          1HB       ALA  56   4.450  -1.797   3.295
  454   2HB   ALA  56          2HB       ALA  56   5.058  -3.414   3.742
  455   3HB   ALA  56          3HB       ALA  56   4.602  -2.248   5.003
  456    H    GLU  57           H        GLU  57   7.026  -1.201   6.436
  457    HA   GLU  57           HA       GLU  57   8.230  -3.814   7.139
  458   1HB   GLU  57          2HB       GLU  57   9.759  -1.416   6.741
  459   2HB   GLU  57          3HB       GLU  57   9.678  -1.669   8.478
  460   1HG   GLU  57          2HG       GLU  57  10.555  -3.776   6.453
  461   2HG   GLU  57          3HG       GLU  57  11.648  -2.718   7.338
  462    H    LEU  58           H        LEU  58   8.160  -4.312   9.336
  463    HA   LEU  58           HA       LEU  58   6.014  -2.882  10.865
  464   1HB   LEU  58          2HB       LEU  58   5.077  -4.738   9.554
  465   2HB   LEU  58          3HB       LEU  58   6.294  -5.834  10.211
  466    HG   LEU  58           HG       LEU  58   5.307  -5.586  12.476
  467   1HD1  LEU  58          1HD1      LEU  58   4.283  -3.402  12.398
  468   2HD1  LEU  58          2HD1      LEU  58   3.257  -3.880  11.022
  469   3HD1  LEU  58          3HD1      LEU  58   2.998  -4.600  12.618
  470   1HD2  LEU  58          1HD2      LEU  58   3.290  -6.391  10.342
  471   2HD2  LEU  58          2HD2      LEU  58   4.590  -7.421  10.989
  472   3HD2  LEU  58          3HD2      LEU  58   3.278  -6.889  12.049
  473    H    TYR  59           H        TYR  59   7.097  -2.073  12.600
  474    HA   TYR  59           HA       TYR  59   9.195  -3.746  13.859
  475   1HB   TYR  59          2HB       TYR  59   8.398  -0.897  14.496
  476   2HB   TYR  59          3HB       TYR  59   9.848  -1.750  15.002
  477    HD1  TYR  59           HD1      TYR  59   8.761   0.719  12.852
  478    HD2  TYR  59           HD2      TYR  59  11.076  -2.923  12.710
  479    HE1  TYR  59           HE1      TYR  59   9.960   1.564  10.887
  480    HE2  TYR  59           HE2      TYR  59  12.230  -2.098  10.670
  481    HH   TYR  59           HH       TYR  59  11.513   1.169   9.250
  482    H    LEU  60           H        LEU  60   8.309  -5.257  15.079
  483    HA   LEU  60           HA       LEU  60   5.969  -4.765  16.781
  484   1HB   LEU  60          2HB       LEU  60   7.661  -7.220  16.141
  485   2HB   LEU  60          3HB       LEU  60   6.377  -7.254  17.348
  486    HG   LEU  60           HG       LEU  60   5.905  -6.430  14.461
  487   1HD1  LEU  60          1HD1      LEU  60   6.646  -8.770  14.527
  488   2HD1  LEU  60          2HD1      LEU  60   5.446  -9.134  15.787
  489   3HD1  LEU  60          3HD1      LEU  60   4.917  -8.668  14.151
  490   1HD2  LEU  60          1HD2      LEU  60   3.914  -7.393  16.556
  491   2HD2  LEU  60          2HD2      LEU  60   4.223  -5.687  16.266
  492   3HD2  LEU  60          3HD2      LEU  60   3.582  -6.672  14.953
  493    H    ASP  61           H        ASP  61   5.866  -5.187  18.972
  494    HA   ASP  61           HA       ASP  61   8.067  -4.250  20.618
  495   1HB   ASP  61          2HB       ASP  61   5.682  -4.052  21.264
  496   2HB   ASP  61          3HB       ASP  61   5.550  -5.815  21.333
  497    H    GLU  62           H        GLU  62   9.308  -5.482  22.106
  498    HA   GLU  62           HA       GLU  62  10.438  -7.888  20.882
  499   1HB   GLU  62          2HB       GLU  62  12.213  -7.651  22.554
  500   2HB   GLU  62          3HB       GLU  62  11.937  -6.186  21.628
  501   1HG   GLU  62          2HG       GLU  62  10.737  -5.156  23.513
  502   2HG   GLU  62          3HG       GLU  62  10.892  -6.640  24.458
  503    H    LEU  63           H        LEU  63   7.905  -8.373  21.678
  504    HA   LEU  63           HA       LEU  63   8.071 -10.459  23.780
  505   1HB   LEU  63          2HB       LEU  63   7.552  -8.129  24.704
  506   2HB   LEU  63          3HB       LEU  63   6.022  -8.189  23.855
  507    HG   LEU  63           HG       LEU  63   6.868 -10.283  25.914
  508   1HD1  LEU  63          1HD1      LEU  63   6.956  -8.054  26.949
  509   2HD1  LEU  63          2HD1      LEU  63   5.325  -7.692  26.351
  510   3HD1  LEU  63          3HD1      LEU  63   5.575  -8.971  27.568
  511   1HD2  LEU  63          1HD2      LEU  63   4.135  -9.422  24.850
  512   2HD2  LEU  63          2HD2      LEU  63   4.911 -11.005  24.631
  513   3HD2  LEU  63          3HD2      LEU  63   4.382 -10.515  26.232
  514    H    SER  64           H        SER  64   6.177  -8.862  21.160
  515    HA   SER  64           HA       SER  64   4.421 -11.227  20.885
  516   1HB   SER  64          2HB       SER  64   4.435  -8.435  19.738
  517   2HB   SER  64          3HB       SER  64   3.626  -9.743  18.848
  518    HG   SER  64           HG       SER  64   2.009  -9.202  20.148
  519    H    ASP  65           H        ASP  65   4.111 -12.239  18.791
  520    HA   ASP  65           HA       ASP  65   6.405 -12.346  16.959
  521   1HB   ASP  65          2HB       ASP  65   7.000 -13.813  18.889
  522   2HB   ASP  65          3HB       ASP  65   5.522 -14.739  18.635
  523    H    ALA  66           H        ALA  66   5.065 -11.724  15.354
  524    HA   ALA  66           HA       ALA  66   2.480 -12.988  14.814
  525   1HB   ALA  66          1HB       ALA  66   2.891 -10.536  14.555
  526   2HB   ALA  66          2HB       ALA  66   4.029 -10.895  13.232
  527   3HB   ALA  66          3HB       ALA  66   2.304 -11.303  13.074
  528    H    ASP  67           H        ASP  67   2.100 -13.453  12.289
  529    HA   ASP  67           HA       ASP  67   3.560 -15.830  11.899
  530   1HB   ASP  67          2HB       ASP  67   1.536 -14.483  10.063
  531   2HB   ASP  67          3HB       ASP  67   1.981 -16.187  10.052
  532    HA   PRO  68           HA       PRO  68   6.787 -14.547   9.219
  533   1HB   PRO  68          2HB       PRO  68   7.709 -16.911   8.224
  534   2HB   PRO  68          3HB       PRO  68   7.717 -16.524   9.965
  535   1HG   PRO  68          2HG       PRO  68   5.590 -18.080   8.447
  536   2HG   PRO  68          3HG       PRO  68   6.484 -18.587   9.921
  537   1HD   PRO  68          2HD       PRO  68   4.040 -17.428  10.093
  538   2HD   PRO  68          3HD       PRO  68   5.328 -17.034  11.271
  539    H    GLY  69           H        GLY  69   4.800 -13.579   8.028
  540   1HA   GLY  69          2HA       GLY  69   5.367 -13.416   5.232
  541   2HA   GLY  69          3HA       GLY  69   3.952 -14.457   5.459
  542    H    ILE  70           H        ILE  70   3.239 -12.784   7.942
  543    HA   ILE  70           HA       ILE  70   1.134 -11.525   6.906
  544    HB   ILE  70           HB       ILE  70   1.887 -12.238   9.283
  545   1HG1  ILE  70          2HG1      ILE  70   0.026  -9.869   9.210
  546   2HG1  ILE  70          3HG1      ILE  70  -0.390 -11.434   8.485
  547   1HG2  ILE  70          1HG2      ILE  70   3.663 -10.506   9.559
  548   2HG2  ILE  70          2HG2      ILE  70   2.396  -9.249   9.606
  549   3HG2  ILE  70          3HG2      ILE  70   2.471 -10.495  10.856
  550   1HD1  ILE  70          1HD1      ILE  70   0.021 -12.578  10.636
  551   2HD1  ILE  70          2HD1      ILE  70   0.327 -11.013  11.414
  552   3HD1  ILE  70          3HD1      ILE  70  -1.276 -11.383  10.751
  553    H    VAL  71           H        VAL  71   4.245 -10.006   6.986
  554    HA   VAL  71           HA       VAL  71   3.297  -7.265   6.504
  555    HB   VAL  71           HB       VAL  71   6.020  -8.552   6.171
  556   1HG1  VAL  71          1HG1      VAL  71   5.927  -6.532   4.826
  557   2HG1  VAL  71          2HG1      VAL  71   5.234  -5.607   6.182
  558   3HG1  VAL  71          3HG1      VAL  71   6.905  -6.208   6.255
  559   1HG2  VAL  71          1HG2      VAL  71   4.886  -6.898   8.452
  560   2HG2  VAL  71          2HG2      VAL  71   5.352  -8.611   8.527
  561   3HG2  VAL  71          3HG2      VAL  71   6.595  -7.375   8.305
  562    H    ASP  72           H        ASP  72   5.093  -9.723   4.586
  563    HA   ASP  72           HA       ASP  72   4.930  -8.470   2.056
  564   1HB   ASP  72          2HB       ASP  72   6.415 -10.381   2.735
  565   2HB   ASP  72          3HB       ASP  72   5.011 -11.451   2.664
  566    H    GLU  73           H        GLU  73   2.656 -10.692   3.696
  567    HA   GLU  73           HA       GLU  73   0.694 -10.865   1.627
  568   1HB   GLU  73          2HB       GLU  73   0.452 -10.895   4.661
  569   2HB   GLU  73          3HB       GLU  73  -0.876 -11.267   3.558
  570   1HG   GLU  73          2HG       GLU  73   0.172 -13.237   2.737
  571   2HG   GLU  73          3HG       GLU  73   1.711 -12.847   3.500
  572    H    ALA  74           H        ALA  74   1.366  -8.198   3.958
  573    HA   ALA  74           HA       ALA  74  -1.157  -6.822   3.402
  574   1HB   ALA  74          1HB       ALA  74   0.370  -6.478   5.462
  575   2HB   ALA  74          2HB       ALA  74   1.428  -5.545   4.379
  576   3HB   ALA  74          3HB       ALA  74  -0.234  -5.015   4.648
  577    H    VAL  75           H        VAL  75   2.184  -6.733   2.135
  578    HA   VAL  75           HA       VAL  75   1.670  -4.529   0.336
  579    HB   VAL  75           HB       VAL  75   3.888  -6.503  -0.215
  580   1HG1  VAL  75          1HG1      VAL  75   3.358  -4.376  -1.585
  581   2HG1  VAL  75          2HG1      VAL  75   3.809  -3.473  -0.135
  582   3HG1  VAL  75          3HG1      VAL  75   5.017  -4.489  -0.947
  583   1HG2  VAL  75          1HG2      VAL  75   3.788  -4.538   2.116
  584   2HG2  VAL  75          2HG2      VAL  75   4.246  -6.255   2.135
  585   3HG2  VAL  75          3HG2      VAL  75   5.319  -5.091   1.382
  586    H    ASP  76           H        ASP  76   1.794  -8.099  -0.162
  587    HA   ASP  76           HA       ASP  76   0.961  -8.239  -2.843
  588   1HB   ASP  76          2HB       ASP  76   1.798 -10.095  -1.424
  589   2HB   ASP  76          3HB       ASP  76   0.288 -10.069  -0.509
  590    H    ALA  77           H        ALA  77  -1.112  -7.970   0.128
  591    HA   ALA  77           HA       ALA  77  -3.588  -7.917  -1.292
  592   1HB   ALA  77          1HB       ALA  77  -3.424  -8.288   1.131
  593   2HB   ALA  77          2HB       ALA  77  -2.840  -6.628   1.371
  594   3HB   ALA  77          3HB       ALA  77  -4.487  -6.911   0.773
  595    H    ALA  78           H        ALA  78  -1.365  -5.185  -0.382
  596    HA   ALA  78           HA       ALA  78  -2.976  -3.159  -1.602
  597   1HB   ALA  78          1HB       ALA  78  -1.174  -2.671  -0.033
  598   2HB   ALA  78          2HB       ALA  78   0.058  -3.195  -1.208
  599   3HB   ALA  78          3HB       ALA  78  -0.953  -1.781  -1.543
  600    H    TYR  79           H        TYR  79  -0.335  -5.176  -3.042
  601    HA   TYR  79           HA       TYR  79  -0.478  -3.961  -5.624
  602   1HB   TYR  79          2HB       TYR  79   0.308  -6.772  -4.737
  603   2HB   TYR  79          3HB       TYR  79   0.464  -6.205  -6.386
  604    HD1  TYR  79           HD1      TYR  79   1.696  -3.793  -6.590
  605    HD2  TYR  79           HD2      TYR  79   2.330  -6.723  -3.471
  606    HE1  TYR  79           HE1      TYR  79   3.988  -2.892  -6.204
  607    HE2  TYR  79           HE2      TYR  79   4.642  -5.883  -3.167
  608    HH   TYR  79           HH       TYR  79   6.185  -4.246  -3.746
  609    H    ARG  80           H        ARG  80  -2.267  -6.860  -4.361
  610    HA   ARG  80           HA       ARG  80  -3.714  -7.212  -6.844
  611   1HB   ARG  80          2HB       ARG  80  -4.228  -8.254  -4.033
  612   2HB   ARG  80          3HB       ARG  80  -5.173  -8.730  -5.466
  613   1HG   ARG  80          2HG       ARG  80  -3.118  -9.504  -6.597
  614   2HG   ARG  80          3HG       ARG  80  -2.152  -9.023  -5.201
  615   1HD   ARG  80          2HD       ARG  80  -3.690 -10.622  -3.846
  616   2HD   ARG  80          3HD       ARG  80  -4.128 -11.311  -5.421
  617    HE   ARG  80           HE       ARG  80  -1.630 -11.516  -3.924
  618   1HH1  ARG  80          1HH2      ARG  80  -2.772 -11.595  -7.252
  619   2HH1  ARG  80          2HH2      ARG  80  -1.281 -12.258  -7.858
  620   1HH2  ARG  80          1HH1      ARG  80   0.280 -12.055  -4.777
  621   2HH2  ARG  80          2HH1      ARG  80   0.424 -12.655  -6.426
  622    H    SER  81           H        SER  81  -4.478  -5.380  -3.891
  623    HA   SER  81           HA       SER  81  -7.109  -4.583  -4.721
  624   1HB   SER  81          2HB       SER  81  -6.159  -4.268  -2.421
  625   2HB   SER  81          3HB       SER  81  -5.086  -3.006  -3.070
  626    HG   SER  81           HG       SER  81  -7.923  -3.033  -3.032
  627    H    LEU  82           H        LEU  82  -3.837  -3.096  -5.327
  628    HA   LEU  82           HA       LEU  82  -4.822  -0.993  -6.933
  629   1HB   LEU  82          2HB       LEU  82  -2.510  -1.262  -5.947
  630   2HB   LEU  82          3HB       LEU  82  -2.148  -2.413  -7.216
  631    HG   LEU  82           HG       LEU  82  -2.515  -0.676  -8.944
  632   1HD1  LEU  82          1HD1      LEU  82  -4.117   0.833  -7.846
  633   2HD1  LEU  82          2HD1      LEU  82  -2.921   1.241  -6.601
  634   3HD1  LEU  82          3HD1      LEU  82  -2.660   1.717  -8.290
  635   1HD2  LEU  82          1HD2      LEU  82  -0.571   0.105  -6.735
  636   2HD2  LEU  82          2HD2      LEU  82  -0.271  -1.038  -8.059
  637   3HD2  LEU  82          3HD2      LEU  82  -0.521   0.681  -8.416
  638    H    GLU  83           H        GLU  83  -3.736  -4.306  -7.945
  639    HA   GLU  83           HA       GLU  83  -4.017  -3.919 -10.745
  640   1HB   GLU  83          2HB       GLU  83  -4.447  -6.374  -8.989
  641   2HB   GLU  83          3HB       GLU  83  -4.548  -6.442 -10.743
  642   1HG   GLU  83          2HG       GLU  83  -2.252  -5.751 -11.004
  643   2HG   GLU  83          3HG       GLU  83  -2.059  -5.465  -9.284
  644    H    SER  84           H        SER  84  -6.603  -4.956  -8.417
  645    HA   SER  84           HA       SER  84  -8.500  -4.676 -10.632
  646   1HB   SER  84          2HB       SER  84  -8.881  -5.864  -7.928
  647   2HB   SER  84          3HB       SER  84 -10.226  -5.526  -9.053
  648    HG   SER  84           HG       SER  84  -8.928  -6.676 -10.736
  649    H    PHE  85           H        PHE  85  -7.513  -2.547  -8.108
  650    HA   PHE  85           HA       PHE  85  -9.750  -0.736  -8.459
  651   1HB   PHE  85          2HB       PHE  85  -8.026  -0.603  -6.673
  652   2HB   PHE  85          3HB       PHE  85  -6.798  -0.243  -7.868
  653    HD1  PHE  85           HD1      PHE  85  -7.075   1.960  -9.232
  654    HD2  PHE  85           HD2      PHE  85  -9.138   1.119  -5.552
  655    HE1  PHE  85           HE1      PHE  85  -7.204   4.393  -8.752
  656    HE2  PHE  85           HE2      PHE  85  -9.285   3.548  -5.078
  657    HZ   PHE  85           HZ       PHE  85  -8.296   5.190  -6.664
  658    H    LEU  86           H        LEU  86  -6.623  -1.261 -10.220
  659    HA   LEU  86           HA       LEU  86  -7.193   0.572 -12.345
  660   1HB   LEU  86          2HB       LEU  86  -5.153  -1.539 -11.821
  661   2HB   LEU  86          3HB       LEU  86  -5.380  -1.033 -13.478
  662    HG   LEU  86           HG       LEU  86  -3.580   0.177 -12.122
  663   1HD1  LEU  86          1HD1      LEU  86  -4.359   0.989 -14.284
  664   2HD1  LEU  86          2HD1      LEU  86  -5.707   1.864 -13.507
  665   3HD1  LEU  86          3HD1      LEU  86  -4.026   2.345 -13.196
  666   1HD2  LEU  86          1HD2      LEU  86  -5.886   1.868 -11.071
  667   2HD2  LEU  86          2HD2      LEU  86  -4.997   0.676 -10.083
  668   3HD2  LEU  86          3HD2      LEU  86  -4.154   2.073 -10.768
  669    H    ASP  87           H        ASP  87  -7.976  -2.947 -12.119
  670    HA   ASP  87           HA       ASP  87  -9.201  -3.209 -14.633
  671   1HB   ASP  87          2HB       ASP  87 -10.329  -4.252 -11.991
  672   2HB   ASP  87          3HB       ASP  87 -10.852  -4.735 -13.572
  673    H    GLY  88           H        GLY  88 -10.202  -1.079 -12.032
  674   1HA   GLY  88          2HA       GLY  88 -12.706  -0.352 -13.518
  675   2HA   GLY  88          3HA       GLY  88 -12.490  -0.209 -11.773
  676    H    PHE  89           H        PHE  89  -9.698   0.681 -13.609
  677    HA   PHE  89           HA       PHE  89 -10.460   3.579 -13.649
  678   1HB   PHE  89          2HB       PHE  89  -8.298   2.291 -12.036
  679   2HB   PHE  89          3HB       PHE  89  -7.880   3.768 -12.852
  680    HD1  PHE  89           HD1      PHE  89  -8.336   5.809 -11.879
  681    HD2  PHE  89           HD2      PHE  89 -10.337   2.321 -10.426
  682    HE1  PHE  89           HE1      PHE  89  -9.243   7.140  -9.978
  683    HE2  PHE  89           HE2      PHE  89 -11.210   3.603  -8.496
  684    HZ   PHE  89           HZ       PHE  89 -10.645   6.032  -8.263
  685    H    ARG  90           H        ARG  90  -8.438   1.018 -15.063
  686    HA   ARG  90           HA       ARG  90  -8.143   2.735 -17.481
  687   1HB   ARG  90          2HB       ARG  90  -5.845   1.475 -15.944
  688   2HB   ARG  90          3HB       ARG  90  -5.753   1.772 -17.669
  689   1HG   ARG  90          2HG       ARG  90  -6.098   4.175 -17.348
  690   2HG   ARG  90          3HG       ARG  90  -6.203   3.951 -15.597
  691   1HD   ARG  90          2HD       ARG  90  -3.979   4.771 -16.428
  692   2HD   ARG  90          3HD       ARG  90  -3.908   3.317 -15.428
  693    HE   ARG  90           HE       ARG  90  -3.947   2.167 -17.829
  694   1HH1  ARG  90          1HH2      ARG  90  -1.931   4.884 -16.862
  695   2HH1  ARG  90          2HH2      ARG  90  -0.628   4.408 -17.928
  696   1HH2  ARG  90          1HH1      ARG  90  -2.225   1.581 -19.099
  697   2HH2  ARG  90          2HH1      ARG  90  -0.784   2.553 -19.120
  698    H    GLU  91           H        GLU  91  -8.132  -0.527 -16.097
  699    HA   GLU  91           HA       GLU  91  -7.768  -2.556 -16.982
  700   1HB   GLU  91          2HB       GLU  91  -9.263  -3.333 -18.683
  701   2HB   GLU  91          3HB       GLU  91 -10.087  -2.321 -17.512
  702   1HG   GLU  91          2HG       GLU  91 -10.141  -0.448 -19.119
  703   2HG   GLU  91          3HG       GLU  91  -9.279  -1.424 -20.314
  Start of MODEL   16
    1    H    MET   1           H1       MET   1 -16.103   3.718 -11.520
    2    HA   MET   1           HA       MET   1 -15.453   4.672  -9.443
    3   1HB   MET   1          2HB       MET   1 -12.747   3.629 -10.308
    4   2HB   MET   1          3HB       MET   1 -12.848   5.048  -9.259
    5   1HG   MET   1          2HG       MET   1 -12.608   2.950  -7.983
    6   2HG   MET   1          3HG       MET   1 -14.057   3.865  -7.573
    7   1HE   MET   1          1HE       MET   1 -13.537   0.874  -6.636
    8   2HE   MET   1          2HE       MET   1 -14.971   1.844  -6.223
    9   3HE   MET   1          3HE       MET   1 -15.166   0.202  -6.876
   10    H    SER   2           H        SER   2 -14.957   6.948  -9.286
   11    HA   SER   2           HA       SER   2 -15.241   8.378 -11.782
   12   1HB   SER   2          2HB       SER   2 -15.447  10.325 -10.307
   13   2HB   SER   2          3HB       SER   2 -16.443   8.984  -9.709
   14    HG   SER   2           HG       SER   2 -13.864   9.753  -8.825
   15    H    LEU   3           H        LEU   3 -12.958   7.175 -12.238
   16    HA   LEU   3           HA       LEU   3 -10.550   8.293 -11.206
   17   1HB   LEU   3          2HB       LEU   3 -11.136   6.768 -13.777
   18   2HB   LEU   3          3HB       LEU   3  -9.521   7.070 -13.151
   19    HG   LEU   3           HG       LEU   3 -11.669   5.482 -11.680
   20   1HD1  LEU   3          1HD1      LEU   3 -10.915   4.322 -13.660
   21   2HD1  LEU   3          2HD1      LEU   3  -9.216   4.561 -13.206
   22   3HD1  LEU   3          3HD1      LEU   3 -10.257   3.526 -12.213
   23   1HD2  LEU   3          1HD2      LEU   3  -8.735   5.957 -11.029
   24   2HD2  LEU   3          2HD2      LEU   3 -10.141   6.436 -10.048
   25   3HD2  LEU   3          3HD2      LEU   3  -9.749   4.725 -10.274
   26    H    ARG   4           H        ARG   4  -8.802   9.241 -12.663
   27    HA   ARG   4           HA       ARG   4  -9.788  11.565 -14.236
   28   1HB   ARG   4          2HB       ARG   4  -9.329  11.697 -11.440
   29   2HB   ARG   4          3HB       ARG   4  -7.784  12.148 -12.110
   30   1HG   ARG   4          2HG       ARG   4  -8.678  14.221 -12.031
   31   2HG   ARG   4          3HG       ARG   4  -9.321  13.791 -13.615
   32   1HD   ARG   4          2HD       ARG   4 -10.737  13.688 -10.917
   33   2HD   ARG   4          3HD       ARG   4 -11.067  14.791 -12.264
   34    HE   ARG   4           HE       ARG   4 -11.388  11.890 -12.796
   35   1HH1  ARG   4          1HH2      ARG   4 -13.161  14.779 -11.880
   36   2HH1  ARG   4          2HH2      ARG   4 -14.688  14.087 -12.366
   37   1HH2  ARG   4          1HH1      ARG   4 -13.207  11.089 -13.364
   38   2HH2  ARG   4          2HH1      ARG   4 -14.731  11.978 -13.246
   39    H    LYS   5           H        LYS   5  -7.872  12.938 -14.945
   40    HA   LYS   5           HA       LYS   5  -5.711  11.403 -16.166
   41   1HB   LYS   5          2HB       LYS   5  -6.337  14.356 -15.730
   42   2HB   LYS   5          3HB       LYS   5  -4.742  13.875 -16.279
   43   1HG   LYS   5          2HG       LYS   5  -7.281  13.087 -17.765
   44   2HG   LYS   5          3HG       LYS   5  -6.364  14.569 -18.080
   45   1HD   LYS   5          2HD       LYS   5  -4.318  13.188 -18.522
   46   2HD   LYS   5          3HD       LYS   5  -5.307  11.720 -18.363
   47   1HE   LYS   5          2HE       LYS   5  -6.751  12.481 -20.217
   48   2HE   LYS   5          3HE       LYS   5  -5.818  13.980 -20.345
   49   1HZ   LYS   5          1HZ       LYS   5  -3.875  12.654 -20.914
   50   2HZ   LYS   5          2HZ       LYS   5  -4.738  11.260 -20.802
   51   3HZ   LYS   5          3HZ       LYS   5  -5.092  12.355 -21.977
   52    H    LEU   6           H        LEU   6  -4.006  10.585 -15.049
   53    HA   LEU   6           HA       LEU   6  -3.737  11.092 -12.266
   54   1HB   LEU   6          2HB       LEU   6  -1.775   9.673 -14.134
   55   2HB   LEU   6          3HB       LEU   6  -1.842   9.590 -12.385
   56    HG   LEU   6           HG       LEU   6  -4.302   8.679 -12.791
   57   1HD1  LEU   6          1HD1      LEU   6  -4.503   8.839 -15.199
   58   2HD1  LEU   6          2HD1      LEU   6  -2.914   8.060 -15.441
   59   3HD1  LEU   6          3HD1      LEU   6  -4.293   7.142 -14.817
   60   1HD2  LEU   6          1HD2      LEU   6  -1.801   7.007 -13.320
   61   2HD2  LEU   6          2HD2      LEU   6  -2.456   7.425 -11.720
   62   3HD2  LEU   6          3HD2      LEU   6  -3.382   6.380 -12.802
   63    H    THR   7           H        THR   7  -2.967  13.001 -11.459
   64    HA   THR   7           HA       THR   7  -0.221  13.775 -12.306
   65    HB   THR   7           HB       THR   7  -1.775  15.341 -13.367
   66    HG1  THR   7           1HG      THR   7  -0.766  17.180 -12.534
   67   1HG2  THR   7          1HG2      THR   7  -3.665  15.411 -11.862
   68   2HG2  THR   7          2HG2      THR   7  -2.663  16.051 -10.543
   69   3HG2  THR   7          3HG2      THR   7  -2.976  17.029 -11.995
   70    H    GLU   8           H        GLU   8   0.368  15.607 -10.460
   71    HA   GLU   8           HA       GLU   8   1.298  14.077  -8.349
   72   1HB   GLU   8          2HB       GLU   8   0.670  17.053  -8.358
   73   2HB   GLU   8          3HB       GLU   8   1.700  16.238  -7.172
   74   1HG   GLU   8          2HG       GLU   8   3.282  15.574  -8.924
   75   2HG   GLU   8          3HG       GLU   8   2.253  16.277 -10.175
   76    H    GLY   9           H        GLY   9  -1.790  15.860  -8.357
   77   1HA   GLY   9          2HA       GLY   9  -2.517  15.412  -5.614
   78   2HA   GLY   9          3HA       GLY   9  -3.613  15.767  -6.968
   79    H    ASP  10           H        ASP  10  -3.667  13.708  -8.609
   80    HA   ASP  10           HA       ASP  10  -5.094  11.670  -7.245
   81   1HB   ASP  10          2HB       ASP  10  -3.799  11.360  -9.970
   82   2HB   ASP  10          3HB       ASP  10  -5.314  10.663  -9.395
   83    H    LEU  11           H        LEU  11  -1.716  11.848  -8.368
   84    HA   LEU  11           HA       LEU  11  -1.056   9.092  -7.770
   85   1HB   LEU  11          2HB       LEU  11   0.631  11.593  -8.184
   86   2HB   LEU  11          3HB       LEU  11   1.299   9.977  -8.012
   87    HG   LEU  11           HG       LEU  11  -0.582  10.845 -10.262
   88   1HD1  LEU  11          1HD1      LEU  11   1.672  11.861 -10.386
   89   2HD1  LEU  11          2HD1      LEU  11   2.402  10.243 -10.278
   90   3HD1  LEU  11          3HD1      LEU  11   1.401  10.686 -11.682
   91   1HD2  LEU  11          1HD2      LEU  11   0.850   8.226  -9.765
   92   2HD2  LEU  11          2HD2      LEU  11  -0.902   8.485  -9.883
   93   3HD2  LEU  11          3HD2      LEU  11   0.119   8.684 -11.312
   94    H    ASP  12           H        ASP  12  -0.761  12.147  -5.834
   95    HA   ASP  12           HA       ASP  12   0.347  10.805  -3.537
   96   1HB   ASP  12          2HB       ASP  12   0.419  13.259  -3.913
   97   2HB   ASP  12          3HB       ASP  12  -1.331  13.338  -3.661
   98    H    GLU  13           H        GLU  13  -3.094  11.551  -4.481
   99    HA   GLU  13           HA       GLU  13  -4.242  10.267  -2.203
  100   1HB   GLU  13          2HB       GLU  13  -5.250  10.895  -4.984
  101   2HB   GLU  13          3HB       GLU  13  -6.249   9.965  -3.873
  102   1HG   GLU  13          2HG       GLU  13  -5.074  12.651  -3.060
  103   2HG   GLU  13          3HG       GLU  13  -6.589  12.510  -3.946
  104    H    ILE  14           H        ILE  14  -3.329   8.809  -5.373
  105    HA   ILE  14           HA       ILE  14  -4.166   6.144  -4.672
  106    HB   ILE  14           HB       ILE  14  -2.154   7.276  -6.630
  107   1HG1  ILE  14          2HG1      ILE  14  -4.726   5.694  -7.070
  108   2HG1  ILE  14          3HG1      ILE  14  -4.716   7.442  -6.932
  109   1HG2  ILE  14          1HG2      ILE  14  -1.209   5.104  -6.021
  110   2HG2  ILE  14          2HG2      ILE  14  -2.799   4.328  -6.187
  111   3HG2  ILE  14          3HG2      ILE  14  -1.943   4.970  -7.608
  112   1HD1  ILE  14          1HD1      ILE  14  -3.179   7.588  -8.902
  113   2HD1  ILE  14          2HD1      ILE  14  -3.355   5.829  -9.124
  114   3HD1  ILE  14          3HD1      ILE  14  -4.766   6.886  -9.265
  115    H    SER  15           H        SER  15  -1.034   7.848  -4.200
  116    HA   SER  15           HA       SER  15   0.329   5.690  -2.923
  117   1HB   SER  15          2HB       SER  15   0.711   8.684  -2.508
  118   2HB   SER  15          3HB       SER  15   1.877   7.402  -2.142
  119    HG   SER  15           HG       SER  15   0.908   8.265  -4.668
  120    H    SER  16           H        SER  16  -1.716   8.287  -1.554
  121    HA   SER  16           HA       SER  16  -1.641   7.487   1.184
  122   1HB   SER  16          2HB       SER  16  -2.459   9.666   0.401
  123   2HB   SER  16          3HB       SER  16  -3.804   8.883  -0.441
  124    HG   SER  16           HG       SER  16  -4.523   9.607   1.502
  125    H    PHE  17           H        PHE  17  -3.955   6.552  -1.455
  126    HA   PHE  17           HA       PHE  17  -5.527   4.763   0.091
  127   1HB   PHE  17          2HB       PHE  17  -6.295   5.536  -2.027
  128   2HB   PHE  17          3HB       PHE  17  -4.858   4.972  -2.851
  129    HD1  PHE  17           HD1      PHE  17  -5.112   3.116  -4.219
  130    HD2  PHE  17           HD2      PHE  17  -7.580   3.472  -0.699
  131    HE1  PHE  17           HE1      PHE  17  -6.278   1.006  -4.820
  132    HE2  PHE  17           HE2      PHE  17  -8.739   1.362  -1.306
  133    HZ   PHE  17           HZ       PHE  17  -8.100   0.139  -3.377
  134    H    LEU  18           H        LEU  18  -2.504   4.110  -1.761
  135    HA   LEU  18           HA       LEU  18  -2.327   1.323  -1.112
  136   1HB   LEU  18          2HB       LEU  18  -0.240   3.451  -1.733
  137   2HB   LEU  18          3HB       LEU  18   0.178   1.762  -1.489
  138    HG   LEU  18           HG       LEU  18  -1.775   2.706  -3.638
  139   1HD1  LEU  18          1HD1      LEU  18   1.178   1.988  -3.873
  140   2HD1  LEU  18          2HD1      LEU  18   0.070   2.398  -5.206
  141   3HD1  LEU  18          3HD1      LEU  18   0.495   3.624  -4.011
  142   1HD2  LEU  18          1HD2      LEU  18  -0.445   0.054  -3.006
  143   2HD2  LEU  18          2HD2      LEU  18  -2.180   0.399  -3.171
  144   3HD2  LEU  18          3HD2      LEU  18  -1.115   0.438  -4.584
  145    H    HIS  19           H        HIS  19  -0.824   4.163   0.579
  146    HA   HIS  19           HA       HIS  19   0.341   2.651   2.669
  147   1HB   HIS  19          2HB       HIS  19   0.920   4.969   2.166
  148   2HB   HIS  19          3HB       HIS  19  -0.691   5.511   2.626
  149    HD1  HIS  19           HD1      HIS  19   0.616   7.133   4.397
  150    HD2  HIS  19           HD2      HIS  19   0.878   2.998   5.078
  151    HE1  HIS  19           HE1      HIS  19   1.448   6.829   6.797
  152    H    ASN  20           H        ASN  20  -2.907   4.236   2.606
  153    HA   ASN  20           HA       ASN  20  -3.719   3.256   5.184
  154   1HB   ASN  20          2HB       ASN  20  -5.262   4.241   2.756
  155   2HB   ASN  20          3HB       ASN  20  -6.055   3.673   4.227
  156   1HD2  ASN  20          2HD2      ASN  20  -4.072   6.288   2.882
  157   2HD2  ASN  20          1HD2      ASN  20  -4.330   7.340   4.277
  158    H    THR  21           H        THR  21  -3.965   1.742   1.911
  159    HA   THR  21           HA       THR  21  -5.540  -0.487   2.739
  160    HB   THR  21           HB       THR  21  -3.415  -0.396   0.555
  161    HG1  THR  21           1HG      THR  21  -5.019   1.102   0.176
  162   1HG2  THR  21          1HG2      THR  21  -3.980  -2.724   1.010
  163   2HG2  THR  21          2HG2      THR  21  -5.716  -2.331   1.056
  164   3HG2  THR  21          3HG2      THR  21  -4.809  -2.212  -0.466
  165    H    ILE  22           H        ILE  22  -1.936  -0.125   2.699
  166    HA   ILE  22           HA       ILE  22  -1.465  -2.735   3.853
  167    HB   ILE  22           HB       ILE  22   0.265  -0.241   3.944
  168   1HG1  ILE  22          2HG1      ILE  22   0.188  -2.578   1.999
  169   2HG1  ILE  22          3HG1      ILE  22  -0.227  -0.900   1.653
  170   1HG2  ILE  22          1HG2      ILE  22   0.903  -2.136   5.614
  171   2HG2  ILE  22          2HG2      ILE  22   1.267  -3.113   4.169
  172   3HG2  ILE  22          3HG2      ILE  22   2.152  -1.638   4.483
  173   1HD1  ILE  22          1HD1      ILE  22   2.239  -0.390   2.403
  174   2HD1  ILE  22          2HD1      ILE  22   2.464  -2.130   2.063
  175   3HD1  ILE  22          3HD1      ILE  22   1.846  -1.034   0.786
  176    H    SER  23           H        SER  23  -1.725   0.550   5.348
  177    HA   SER  23           HA       SER  23  -1.313  -0.206   8.022
  178   1HB   SER  23          2HB       SER  23  -1.465   2.120   7.140
  179   2HB   SER  23          3HB       SER  23  -3.226   1.925   7.000
  180    HG   SER  23           HG       SER  23  -2.638   2.886   8.979
  181    H    ASP  24           H        ASP  24  -4.566   0.021   6.349
  182    HA   ASP  24           HA       ASP  24  -6.012  -1.208   8.464
  183   1HB   ASP  24          2HB       ASP  24  -6.480  -0.988   5.481
  184   2HB   ASP  24          3HB       ASP  24  -7.544  -1.948   6.488
  185    H    PHE  25           H        PHE  25  -4.263  -2.817   5.697
  186    HA   PHE  25           HA       PHE  25  -5.317  -5.390   6.363
  187   1HB   PHE  25          2HB       PHE  25  -4.143  -4.690   4.221
  188   2HB   PHE  25          3HB       PHE  25  -2.619  -4.861   5.079
  189    HD1  PHE  25           HD1      PHE  25  -5.264  -6.539   3.276
  190    HD2  PHE  25           HD2      PHE  25  -2.076  -7.203   6.104
  191    HE1  PHE  25           HE1      PHE  25  -5.392  -8.981   2.854
  192    HE2  PHE  25           HE2      PHE  25  -2.210  -9.631   5.673
  193    HZ   PHE  25           HZ       PHE  25  -3.863 -10.534   4.064
  194    H    ILE  26           H        ILE  26  -2.259  -3.753   7.452
  195    HA   ILE  26           HA       ILE  26  -1.389  -5.864   9.152
  196    HB   ILE  26           HB       ILE  26  -0.903  -2.865   9.030
  197   1HG1  ILE  26          2HG1      ILE  26   0.834  -5.309   8.396
  198   2HG1  ILE  26          3HG1      ILE  26   0.017  -4.301   7.207
  199   1HG2  ILE  26          1HG2      ILE  26  -0.672  -3.543  11.378
  200   2HG2  ILE  26          2HG2      ILE  26   0.421  -4.865  10.897
  201   3HG2  ILE  26          3HG2      ILE  26   0.887  -3.156  10.682
  202   1HD1  ILE  26          1HD1      ILE  26   2.303  -3.642   7.222
  203   2HD1  ILE  26          2HD1      ILE  26   1.394  -2.335   8.011
  204   3HD1  ILE  26          3HD1      ILE  26   2.344  -3.488   8.982
  205    H    LEU  27           H        LEU  27  -3.368  -2.885   9.927
  206    HA   LEU  27           HA       LEU  27  -3.776  -3.660  12.630
  207   1HB   LEU  27          2HB       LEU  27  -5.003  -1.656  10.769
  208   2HB   LEU  27          3HB       LEU  27  -5.938  -2.082  12.176
  209    HG   LEU  27           HG       LEU  27  -4.586  -0.076  12.526
  210   1HD1  LEU  27          1HD1      LEU  27  -5.260  -1.522  14.435
  211   2HD1  LEU  27          2HD1      LEU  27  -3.687  -2.344  14.346
  212   3HD1  LEU  27          3HD1      LEU  27  -3.770  -0.611  14.734
  213   1HD2  LEU  27          1HD2      LEU  27  -2.132  -1.878  12.434
  214   2HD2  LEU  27          2HD2      LEU  27  -2.565  -0.649  11.224
  215   3HD2  LEU  27          3HD2      LEU  27  -2.177  -0.160  12.877
  216    H    LYS  28           H        LYS  28  -5.524  -4.741   9.780
  217    HA   LYS  28           HA       LYS  28  -7.530  -6.146  11.445
  218   1HB   LYS  28          2HB       LYS  28  -7.132  -5.869   8.444
  219   2HB   LYS  28          3HB       LYS  28  -8.407  -6.851   9.168
  220   1HG   LYS  28          2HG       LYS  28  -9.483  -5.008  10.186
  221   2HG   LYS  28          3HG       LYS  28  -8.097  -3.939   9.982
  222   1HD   LYS  28          2HD       LYS  28  -8.430  -3.864   7.561
  223   2HD   LYS  28          3HD       LYS  28  -9.828  -4.954   7.696
  224   1HE   LYS  28          2HE       LYS  28 -11.070  -3.372   8.993
  225   2HE   LYS  28          3HE       LYS  28  -9.644  -2.369   9.298
  226   1HZ   LYS  28          1HZ       LYS  28  -9.708  -1.463   7.201
  227   2HZ   LYS  28          2HZ       LYS  28 -10.602  -2.697   6.538
  228   3HZ   LYS  28          3HZ       LYS  28 -11.274  -1.569   7.546
  229    H    ARG  29           H        ARG  29  -4.369  -6.842  10.645
  230    HA   ARG  29           HA       ARG  29  -4.868  -9.780  11.040
  231   1HB   ARG  29          2HB       ARG  29  -2.645  -8.226   9.667
  232   2HB   ARG  29          3HB       ARG  29  -2.490  -9.920  10.074
  233   1HG   ARG  29          2HG       ARG  29  -4.793  -8.943   8.371
  234   2HG   ARG  29          3HG       ARG  29  -3.212  -9.321   7.706
  235   1HD   ARG  29          2HD       ARG  29  -4.820 -11.331   9.327
  236   2HD   ARG  29          3HD       ARG  29  -4.937 -11.164   7.578
  237    HE   ARG  29           HE       ARG  29  -2.742 -11.993   7.256
  238   1HH1  ARG  29          1HH2      ARG  29  -3.403 -12.055  10.806
  239   2HH1  ARG  29          2HH2      ARG  29  -2.074 -13.228  10.977
  240   1HH2  ARG  29          1HH1      ARG  29  -1.014 -13.336   7.817
  241   2HH2  ARG  29          2HH1      ARG  29  -0.945 -13.848   9.540
  242    H    VAL  30           H        VAL  30  -3.002  -7.030  12.315
  243    HA   VAL  30           HA       VAL  30  -2.600  -8.432  14.877
  244    HB   VAL  30           HB       VAL  30  -0.621  -9.048  13.652
  245   1HG1  VAL  30          1HG1      VAL  30  -0.500  -7.381  11.889
  246   2HG1  VAL  30          2HG1      VAL  30  -0.193  -6.095  13.064
  247   3HG1  VAL  30          3HG1      VAL  30   1.016  -7.370  12.797
  248   1HG2  VAL  30          1HG2      VAL  30   0.180  -6.832  15.563
  249   2HG2  VAL  30          2HG2      VAL  30  -0.343  -8.471  16.034
  250   3HG2  VAL  30          3HG2      VAL  30   1.127  -8.246  15.078
  251    H    SER  31           H        SER  31  -2.018  -6.786  16.663
  252    HA   SER  31           HA       SER  31  -3.413  -4.247  15.930
  253   1HB   SER  31          2HB       SER  31  -4.650  -5.723  17.418
  254   2HB   SER  31          3HB       SER  31  -3.294  -5.739  18.554
  255    HG   SER  31           HG       SER  31  -5.081  -3.674  17.923
  256    H    ALA  32           H        ALA  32  -2.539  -2.308  16.348
  257    HA   ALA  32           HA       ALA  32   0.120  -1.837  16.693
  258   1HB   ALA  32          1HB       ALA  32  -1.486  -0.215  15.829
  259   2HB   ALA  32          2HB       ALA  32  -2.200  -0.029  17.450
  260   3HB   ALA  32          3HB       ALA  32  -0.528   0.491  17.141
  261    H    LYS  33           H        LYS  33  -2.117  -2.545  19.284
  262    HA   LYS  33           HA       LYS  33  -0.656  -1.669  21.553
  263   1HB   LYS  33          2HB       LYS  33  -1.996  -3.190  22.769
  264   2HB   LYS  33          3HB       LYS  33  -2.972  -2.512  21.473
  265   1HG   LYS  33          2HG       LYS  33  -3.665  -4.625  21.222
  266   2HG   LYS  33          3HG       LYS  33  -2.218  -4.788  20.224
  267   1HD   LYS  33          2HD       LYS  33  -1.033  -5.927  22.004
  268   2HD   LYS  33          3HD       LYS  33  -2.217  -5.412  23.198
  269   1HE   LYS  33          2HE       LYS  33  -2.676  -7.693  22.811
  270   2HE   LYS  33          3HE       LYS  33  -3.970  -6.756  22.058
  271   1HZ   LYS  33          1HZ       LYS  33  -2.590  -7.116  19.889
  272   2HZ   LYS  33          2HZ       LYS  33  -1.741  -8.186  20.670
  273   3HZ   LYS  33          3HZ       LYS  33  -3.341  -8.446  20.518
  274    H    GLU  34           H        GLU  34   0.165  -4.189  19.373
  275    HA   GLU  34           HA       GLU  34   2.442  -4.975  21.168
  276   1HB   GLU  34          2HB       GLU  34   2.275  -7.202  20.472
  277   2HB   GLU  34          3HB       GLU  34   0.682  -6.675  20.860
  278   1HG   GLU  34          2HG       GLU  34   0.916  -6.239  18.051
  279   2HG   GLU  34          3HG       GLU  34   1.745  -7.753  18.353
  280    H    ILE  35           H        ILE  35   1.992  -3.035  18.687
  281    HA   ILE  35           HA       ILE  35   4.457  -3.722  17.147
  282    HB   ILE  35           HB       ILE  35   2.160  -1.844  16.513
  283   1HG1  ILE  35          2HG1      ILE  35   2.839  -4.547  15.266
  284   2HG1  ILE  35          3HG1      ILE  35   1.513  -4.263  16.385
  285   1HG2  ILE  35          1HG2      ILE  35   4.209  -1.019  15.508
  286   2HG2  ILE  35          2HG2      ILE  35   4.536  -2.606  14.780
  287   3HG2  ILE  35          3HG2      ILE  35   3.149  -1.618  14.266
  288   1HD1  ILE  35          1HD1      ILE  35   0.511  -2.648  14.718
  289   2HD1  ILE  35          2HD1      ILE  35   1.737  -3.190  13.559
  290   3HD1  ILE  35          3HD1      ILE  35   0.572  -4.343  14.219
  291    H    VAL  36           H        VAL  36   6.221  -2.418  17.365
  292    HA   VAL  36           HA       VAL  36   6.234  -0.123  19.216
  293    HB   VAL  36           HB       VAL  36   8.331  -1.450  17.453
  294   1HG1  VAL  36          1HG1      VAL  36   8.910   0.899  17.397
  295   2HG1  VAL  36          2HG1      VAL  36   8.666   1.047  19.156
  296   3HG1  VAL  36          3HG1      VAL  36  10.000   0.063  18.506
  297   1HG2  VAL  36          1HG2      VAL  36   8.155  -1.087  20.475
  298   2HG2  VAL  36          2HG2      VAL  36   7.658  -2.545  19.603
  299   3HG2  VAL  36          3HG2      VAL  36   9.354  -2.046  19.574
  300    H    ASP  37           H        ASP  37   6.745  -0.622  15.665
  301    HA   ASP  37           HA       ASP  37   5.144   1.664  15.041
  302   1HB   ASP  37          2HB       ASP  37   7.594   2.555  15.772
  303   2HB   ASP  37          3HB       ASP  37   7.969   2.157  14.108
  304    H    ILE  38           H        ILE  38   5.504   2.266  12.581
  305    HA   ILE  38           HA       ILE  38   6.344  -0.070  10.954
  306    HB   ILE  38           HB       ILE  38   4.447   0.265   9.374
  307   1HG1  ILE  38          2HG1      ILE  38   2.236   0.985  10.430
  308   2HG1  ILE  38          3HG1      ILE  38   3.163   1.880  11.624
  309   1HG2  ILE  38          1HG2      ILE  38   4.590  -1.622  10.894
  310   2HG2  ILE  38          2HG2      ILE  38   3.673  -0.732  12.127
  311   3HG2  ILE  38          3HG2      ILE  38   2.919  -1.176  10.573
  312   1HD1  ILE  38          1HD1      ILE  38   3.887   3.442   9.972
  313   2HD1  ILE  38          2HD1      ILE  38   3.521   2.324   8.630
  314   3HD1  ILE  38          3HD1      ILE  38   2.213   3.093   9.543
  315    H    ASP  39           H        ASP  39   7.237   0.367   9.014
  316    HA   ASP  39           HA       ASP  39   7.517   3.258   8.220
  317   1HB   ASP  39          2HB       ASP  39   9.463   0.956   7.866
  318   2HB   ASP  39          3HB       ASP  39   9.466   2.349   6.800
  319    H    ILE  40           H        ILE  40   6.192   3.658   6.521
  320    HA   ILE  40           HA       ILE  40   6.040   1.607   4.379
  321    HB   ILE  40           HB       ILE  40   3.650   3.060   5.541
  322   1HG1  ILE  40          2HG1      ILE  40   4.062   0.109   4.916
  323   2HG1  ILE  40          3HG1      ILE  40   4.490   0.780   6.494
  324   1HG2  ILE  40          1HG2      ILE  40   3.497   3.224   3.089
  325   2HG2  ILE  40          2HG2      ILE  40   3.975   1.516   2.912
  326   3HG2  ILE  40          3HG2      ILE  40   2.406   1.946   3.608
  327   1HD1  ILE  40          1HD1      ILE  40   2.155   1.433   6.879
  328   2HD1  ILE  40          2HD1      ILE  40   1.715   0.693   5.321
  329   3HD1  ILE  40          3HD1      ILE  40   2.386  -0.313   6.617
  330    H    THR  41           H        THR  41   6.975   2.390   2.704
  331    HA   THR  41           HA       THR  41   6.741   5.300   2.035
  332    HB   THR  41           HB       THR  41   9.170   3.548   1.520
  333    HG1  THR  41           1HG      THR  41   8.705   4.296   3.722
  334   1HG2  THR  41          1HG2      THR  41   8.844   5.357  -0.176
  335   2HG2  THR  41          2HG2      THR  41   8.702   6.545   1.138
  336   3HG2  THR  41          3HG2      THR  41  10.232   5.683   0.875
  337    H    VAL  42           H        VAL  42   5.628   5.567   0.257
  338    HA   VAL  42           HA       VAL  42   5.450   3.438  -1.816
  339    HB   VAL  42           HB       VAL  42   3.254   4.728  -2.295
  340   1HG1  VAL  42          1HG1      VAL  42   3.306   2.437  -1.475
  341   2HG1  VAL  42          2HG1      VAL  42   3.535   2.998   0.197
  342   3HG1  VAL  42          3HG1      VAL  42   2.014   3.332  -0.658
  343   1HG2  VAL  42          1HG2      VAL  42   3.494   5.500   0.651
  344   2HG2  VAL  42          2HG2      VAL  42   3.634   6.642  -0.709
  345   3HG2  VAL  42          3HG2      VAL  42   2.126   5.770  -0.422
  346    H    LEU  43           H        LEU  43   6.247   3.916  -3.712
  347    HA   LEU  43           HA       LEU  43   6.889   6.768  -4.379
  348   1HB   LEU  43          2HB       LEU  43   8.425   4.273  -5.228
  349   2HB   LEU  43          3HB       LEU  43   8.814   5.951  -5.568
  350    HG   LEU  43           HG       LEU  43   8.869   6.120  -2.874
  351   1HD1  LEU  43          1HD1      LEU  43   8.299   3.724  -2.443
  352   2HD1  LEU  43          2HD1      LEU  43   9.671   3.218  -3.441
  353   3HD1  LEU  43          3HD1      LEU  43   9.944   4.085  -1.919
  354   1HD2  LEU  43          1HD2      LEU  43  11.117   4.951  -4.566
  355   2HD2  LEU  43          2HD2      LEU  43  10.727   6.678  -4.385
  356   3HD2  LEU  43          3HD2      LEU  43  11.301   5.755  -2.990
  357    H    VAL  44           H        VAL  44   6.068   7.494  -6.338
  358    HA   VAL  44           HA       VAL  44   5.266   5.507  -8.360
  359    HB   VAL  44           HB       VAL  44   3.248   5.830  -7.057
  360   1HG1  VAL  44          1HG1      VAL  44   3.568   8.064  -6.117
  361   2HG1  VAL  44          2HG1      VAL  44   3.396   8.789  -7.736
  362   3HG1  VAL  44          3HG1      VAL  44   2.034   7.940  -6.965
  363   1HG2  VAL  44          1HG2      VAL  44   3.016   7.194  -9.769
  364   2HG2  VAL  44          2HG2      VAL  44   3.111   5.442  -9.497
  365   3HG2  VAL  44          3HG2      VAL  44   1.740   6.346  -8.860
  366    H    GLU  45           H        GLU  45   5.623   6.117 -10.412
  367    HA   GLU  45           HA       GLU  45   6.551   8.887 -10.997
  368   1HB   GLU  45          2HB       GLU  45   8.234   6.385 -11.407
  369   2HB   GLU  45          3HB       GLU  45   8.651   7.995 -11.962
  370   1HG   GLU  45          2HG       GLU  45   8.956   8.779  -9.681
  371   2HG   GLU  45          3HG       GLU  45   8.382   7.236  -9.024
  372    H    TYR  46           H        TYR  46   6.886   9.235 -13.314
  373    HA   TYR  46           HA       TYR  46   5.798   7.127 -15.101
  374   1HB   TYR  46          2HB       TYR  46   4.123   9.000 -14.559
  375   2HB   TYR  46          3HB       TYR  46   5.149  10.053 -15.519
  376    HD1  TYR  46           HD1      TYR  46   2.440   7.781 -15.560
  377    HD2  TYR  46           HD2      TYR  46   5.755   9.115 -17.974
  378    HE1  TYR  46           HE1      TYR  46   1.328   6.869 -17.592
  379    HE2  TYR  46           HE2      TYR  46   4.660   8.151 -20.002
  380    HH   TYR  46           HH       TYR  46   1.503   6.500 -19.853
  381    H    THR  47           H        THR  47   7.451   6.507 -16.251
  382    HA   THR  47           HA       THR  47   9.393   8.477 -17.391
  383    HB   THR  47           HB       THR  47  10.688   7.757 -15.620
  384    HG1  THR  47           1HG      THR  47  11.069   5.893 -17.694
  385   1HG2  THR  47          1HG2      THR  47   9.368   6.012 -14.579
  386   2HG2  THR  47          2HG2      THR  47   9.632   4.915 -15.953
  387   3HG2  THR  47          3HG2      THR  47  10.988   5.390 -14.905
  388    H    ASP  48           H        ASP  48   8.092   8.278 -19.233
  389    HA   ASP  48           HA       ASP  48   7.320   7.544 -21.192
  390   1HB   ASP  48          2HB       ASP  48   9.762   6.794 -21.440
  391   2HB   ASP  48          3HB       ASP  48   9.173   5.157 -21.140
  392    H    GLU  49           H        GLU  49   7.479   5.093 -18.690
  393    HA   GLU  49           HA       GLU  49   4.637   4.401 -19.203
  394   1HB   GLU  49          2HB       GLU  49   6.123   2.563 -19.943
  395   2HB   GLU  49          3HB       GLU  49   6.868   2.505 -18.339
  396   1HG   GLU  49          2HG       GLU  49   4.794   1.742 -17.336
  397   2HG   GLU  49          3HG       GLU  49   3.891   2.076 -18.817
  398    H    LEU  50           H        LEU  50   3.545   3.673 -17.185
  399    HA   LEU  50           HA       LEU  50   4.227   5.413 -14.897
  400   1HB   LEU  50          2HB       LEU  50   1.944   5.332 -15.801
  401   2HB   LEU  50          3HB       LEU  50   1.870   3.601 -15.611
  402    HG   LEU  50           HG       LEU  50   0.538   5.003 -14.027
  403   1HD1  LEU  50          1HD1      LEU  50   1.095   2.612 -13.565
  404   2HD1  LEU  50          2HD1      LEU  50   2.435   3.163 -12.540
  405   3HD1  LEU  50          3HD1      LEU  50   0.774   3.598 -12.129
  406   1HD2  LEU  50          1HD2      LEU  50   3.138   5.529 -12.554
  407   2HD2  LEU  50          2HD2      LEU  50   2.267   6.738 -13.518
  408   3HD2  LEU  50          3HD2      LEU  50   1.507   6.022 -12.089
  409    H    LYS  51           H        LYS  51   5.242   4.661 -13.124
  410    HA   LYS  51           HA       LYS  51   5.130   1.746 -12.499
  411   1HB   LYS  51          2HB       LYS  51   7.448   1.727 -11.828
  412   2HB   LYS  51          3HB       LYS  51   7.312   2.163 -13.531
  413   1HG   LYS  51          2HG       LYS  51   7.718   4.512 -13.040
  414   2HG   LYS  51          3HG       LYS  51   7.669   4.216 -11.301
  415   1HD   LYS  51          2HD       LYS  51   9.752   3.064 -13.191
  416   2HD   LYS  51          3HD       LYS  51   9.971   4.516 -12.218
  417   1HE   LYS  51          2HE       LYS  51   9.486   1.711 -11.114
  418   2HE   LYS  51          3HE       LYS  51  11.044   2.541 -11.206
  419   1HZ   LYS  51          1HZ       LYS  51  10.121   4.289  -9.760
  420   2HZ   LYS  51          2HZ       LYS  51   8.733   3.452  -9.598
  421   3HZ   LYS  51          3HZ       LYS  51  10.140   2.820  -9.009
  422    H    VAL  52           H        VAL  52   5.264   1.186 -10.360
  423    HA   VAL  52           HA       VAL  52   5.182   3.283  -8.299
  424    HB   VAL  52           HB       VAL  52   2.834   2.785  -8.877
  425   1HG1  VAL  52          1HG1      VAL  52   3.073   0.425  -9.620
  426   2HG1  VAL  52          2HG1      VAL  52   3.390  -0.065  -7.939
  427   3HG1  VAL  52          3HG1      VAL  52   1.825   0.621  -8.389
  428   1HG2  VAL  52          1HG2      VAL  52   3.536   1.688  -6.123
  429   2HG2  VAL  52          2HG2      VAL  52   3.410   3.411  -6.549
  430   3HG2  VAL  52          3HG2      VAL  52   1.990   2.367  -6.654
  431    H    ASP  53           H        ASP  53   6.014   2.581  -6.311
  432    HA   ASP  53           HA       ASP  53   6.615  -0.257  -6.002
  433   1HB   ASP  53          2HB       ASP  53   8.701   0.924  -6.979
  434   2HB   ASP  53          3HB       ASP  53   8.845   1.687  -5.386
  435    H    ILE  54           H        ILE  54   6.989  -0.900  -3.870
  436    HA   ILE  54           HA       ILE  54   5.745   0.886  -1.824
  437    HB   ILE  54           HB       ILE  54   4.735  -1.910  -2.463
  438   1HG1  ILE  54          2HG1      ILE  54   3.497   0.787  -3.159
  439   2HG1  ILE  54          3HG1      ILE  54   4.017  -0.468  -4.284
  440   1HG2  ILE  54          1HG2      ILE  54   4.597  -1.096  -0.054
  441   2HG2  ILE  54          2HG2      ILE  54   3.557   0.221  -0.629
  442   3HG2  ILE  54          3HG2      ILE  54   3.068  -1.483  -0.831
  443   1HD1  ILE  54          1HD1      ILE  54   2.274  -2.004  -3.337
  444   2HD1  ILE  54          2HD1      ILE  54   1.671  -0.647  -2.358
  445   3HD1  ILE  54          3HD1      ILE  54   1.633  -0.553  -4.137
  446    H    SER  55           H        SER  55   7.308   0.970  -0.329
  447    HA   SER  55           HA       SER  55   8.606  -1.576   0.599
  448   1HB   SER  55          2HB       SER  55   9.310   1.354   1.028
  449   2HB   SER  55          3HB       SER  55  10.117  -0.007   1.834
  450    HG   SER  55           HG       SER  55  11.168   0.729  -0.118
  451    H    ALA  56           H        ALA  56   7.678  -2.467   2.405
  452    HA   ALA  56           HA       ALA  56   6.617  -0.637   4.470
  453   1HB   ALA  56          1HB       ALA  56   4.677  -1.548   3.242
  454   2HB   ALA  56          2HB       ALA  56   5.236  -3.198   3.630
  455   3HB   ALA  56          3HB       ALA  56   4.728  -2.093   4.928
  456    H    GLU  57           H        GLU  57   7.184  -1.134   6.512
  457    HA   GLU  57           HA       GLU  57   8.378  -3.774   7.162
  458   1HB   GLU  57          2HB       GLU  57   9.879  -1.353   6.817
  459   2HB   GLU  57          3HB       GLU  57   9.795  -1.632   8.548
  460   1HG   GLU  57          2HG       GLU  57  10.726  -3.683   6.491
  461   2HG   GLU  57          3HG       GLU  57  11.787  -2.623   7.415
  462    H    LEU  58           H        LEU  58   8.310  -4.325   9.338
  463    HA   LEU  58           HA       LEU  58   6.211  -2.929  10.946
  464   1HB   LEU  58          2HB       LEU  58   5.159  -4.716   9.649
  465   2HB   LEU  58          3HB       LEU  58   6.399  -5.858  10.173
  466    HG   LEU  58           HG       LEU  58   5.586  -5.699  12.512
  467   1HD1  LEU  58          1HD1      LEU  58   4.610  -3.454  12.531
  468   2HD1  LEU  58          2HD1      LEU  58   3.386  -3.953  11.337
  469   3HD1  LEU  58          3HD1      LEU  58   3.401  -4.664  12.965
  470   1HD2  LEU  58          1HD2      LEU  58   3.411  -6.362  10.496
  471   2HD2  LEU  58          2HD2      LEU  58   4.723  -7.447  11.026
  472   3HD2  LEU  58          3HD2      LEU  58   3.492  -6.924  12.183
  473    H    TYR  59           H        TYR  59   7.331  -2.192  12.690
  474    HA   TYR  59           HA       TYR  59   9.395  -3.964  13.882
  475   1HB   TYR  59          2HB       TYR  59   8.659  -1.128  14.644
  476   2HB   TYR  59          3HB       TYR  59  10.090  -2.037  15.108
  477    HD1  TYR  59           HD1      TYR  59   8.913   0.460  12.943
  478    HD2  TYR  59           HD2      TYR  59  11.409  -3.063  12.875
  479    HE1  TYR  59           HE1      TYR  59  10.109   1.353  11.006
  480    HE2  TYR  59           HE2      TYR  59  12.564  -2.190  10.856
  481    HH   TYR  59           HH       TYR  59  11.747   1.058   9.439
  482    H    LEU  60           H        LEU  60   8.436  -5.507  15.018
  483    HA   LEU  60           HA       LEU  60   6.119  -5.042  16.751
  484   1HB   LEU  60          2HB       LEU  60   7.865  -7.407  15.999
  485   2HB   LEU  60          3HB       LEU  60   6.757  -7.526  17.346
  486    HG   LEU  60           HG       LEU  60   5.880  -6.759  14.535
  487   1HD1  LEU  60          1HD1      LEU  60   6.796  -9.058  14.613
  488   2HD1  LEU  60          2HD1      LEU  60   5.701  -9.447  15.958
  489   3HD1  LEU  60          3HD1      LEU  60   5.046  -9.043  14.349
  490   1HD2  LEU  60          1HD2      LEU  60   4.266  -7.667  16.964
  491   2HD2  LEU  60          2HD2      LEU  60   4.309  -6.022  16.343
  492   3HD2  LEU  60          3HD2      LEU  60   3.615  -7.311  15.352
  493    H    ASP  61           H        ASP  61   6.073  -5.365  19.000
  494    HA   ASP  61           HA       ASP  61   8.397  -4.463  20.484
  495   1HB   ASP  61          2HB       ASP  61   6.093  -4.030  21.266
  496   2HB   ASP  61          3HB       ASP  61   5.861  -5.761  21.531
  497    H    GLU  62           H        GLU  62   9.591  -5.592  22.015
  498    HA   GLU  62           HA       GLU  62  10.777  -8.072  21.058
  499   1HB   GLU  62          2HB       GLU  62  11.173  -6.335  23.528
  500   2HB   GLU  62          3HB       GLU  62  12.184  -7.732  23.180
  501   1HG   GLU  62          2HG       GLU  62  11.930  -5.463  21.172
  502   2HG   GLU  62          3HG       GLU  62  13.043  -5.399  22.531
  503    H    LEU  63           H        LEU  63   7.944  -8.066  22.124
  504    HA   LEU  63           HA       LEU  63   8.009 -10.518  23.789
  505   1HB   LEU  63          2HB       LEU  63   6.423  -7.963  24.288
  506   2HB   LEU  63          3HB       LEU  63   6.063  -9.484  25.094
  507    HG   LEU  63           HG       LEU  63   8.736  -8.032  25.367
  508   1HD1  LEU  63          1HD1      LEU  63   6.918  -6.686  26.289
  509   2HD1  LEU  63          2HD1      LEU  63   6.328  -8.079  27.227
  510   3HD1  LEU  63          3HD1      LEU  63   7.920  -7.361  27.584
  511   1HD2  LEU  63          1HD2      LEU  63   7.488 -10.348  26.921
  512   2HD2  LEU  63          2HD2      LEU  63   8.898 -10.447  25.840
  513   3HD2  LEU  63          3HD2      LEU  63   9.007  -9.520  27.338
  514    H    SER  64           H        SER  64   7.191  -9.282  20.886
  515    HA   SER  64           HA       SER  64   4.461 -10.482  20.719
  516   1HB   SER  64          2HB       SER  64   5.846  -8.484  18.913
  517   2HB   SER  64          3HB       SER  64   4.148  -8.982  18.831
  518    HG   SER  64           HG       SER  64   4.461  -6.931  19.853
  519    H    ASP  65           H        ASP  65   3.963 -11.933  19.083
  520    HA   ASP  65           HA       ASP  65   5.986 -12.707  17.061
  521   1HB   ASP  65          2HB       ASP  65   4.657 -14.570  19.067
  522   2HB   ASP  65          3HB       ASP  65   5.308 -15.117  17.523
  523    H    ALA  66           H        ALA  66   4.764 -11.709  15.554
  524    HA   ALA  66           HA       ALA  66   1.999 -12.535  14.979
  525   1HB   ALA  66          1HB       ALA  66   2.823 -10.173  14.689
  526   2HB   ALA  66          2HB       ALA  66   3.871 -10.760  13.367
  527   3HB   ALA  66          3HB       ALA  66   2.106 -10.877  13.239
  528    H    ASP  67           H        ASP  67   1.916 -12.757  12.228
  529    HA   ASP  67           HA       ASP  67   2.959 -15.459  11.928
  530   1HB   ASP  67          2HB       ASP  67   1.351 -13.749   9.991
  531   2HB   ASP  67          3HB       ASP  67   1.661 -15.474   9.834
  532    HA   PRO  68           HA       PRO  68   6.552 -14.299   9.523
  533   1HB   PRO  68          2HB       PRO  68   7.317 -16.697   8.488
  534   2HB   PRO  68          3HB       PRO  68   7.310 -16.365  10.241
  535   1HG   PRO  68          2HG       PRO  68   5.125 -17.723   8.623
  536   2HG   PRO  68          3HG       PRO  68   5.927 -18.322  10.114
  537   1HD   PRO  68          2HD       PRO  68   3.560 -16.985  10.206
  538   2HD   PRO  68          3HD       PRO  68   4.809 -16.745  11.464
  539    H    GLY  69           H        GLY  69   4.677 -13.163   8.351
  540   1HA   GLY  69          2HA       GLY  69   5.225 -12.823   5.631
  541   2HA   GLY  69          3HA       GLY  69   3.880 -13.967   5.683
  542    H    ILE  70           H        ILE  70   3.384 -12.039   8.384
  543    HA   ILE  70           HA       ILE  70   1.023 -11.046   7.411
  544    HB   ILE  70           HB       ILE  70   1.952 -11.525   9.758
  545   1HG1  ILE  70          2HG1      ILE  70   0.137  -9.105   9.606
  546   2HG1  ILE  70          3HG1      ILE  70  -0.368 -10.740   9.160
  547   1HG2  ILE  70          1HG2      ILE  70   3.795  -9.820   9.680
  548   2HG2  ILE  70          2HG2      ILE  70   2.548  -8.547   9.783
  549   3HG2  ILE  70          3HG2      ILE  70   2.769  -9.699  11.105
  550   1HD1  ILE  70          1HD1      ILE  70   0.383 -11.558  11.425
  551   2HD1  ILE  70          2HD1      ILE  70   0.668  -9.859  11.876
  552   3HD1  ILE  70          3HD1      ILE  70  -0.959 -10.411  11.500
  553    H    VAL  71           H        VAL  71   4.124  -9.457   7.160
  554    HA   VAL  71           HA       VAL  71   3.021  -6.824   6.470
  555    HB   VAL  71           HB       VAL  71   5.823  -7.578   5.711
  556   1HG1  VAL  71          1HG1      VAL  71   4.906  -5.317   5.323
  557   2HG1  VAL  71          2HG1      VAL  71   4.642  -5.126   7.074
  558   3HG1  VAL  71          3HG1      VAL  71   6.289  -5.293   6.425
  559   1HG2  VAL  71          1HG2      VAL  71   5.022  -7.254   8.610
  560   2HG2  VAL  71          2HG2      VAL  71   5.841  -8.641   7.836
  561   3HG2  VAL  71          3HG2      VAL  71   6.686  -7.100   7.991
  562    H    ASP  72           H        ASP  72   4.794  -9.481   4.847
  563    HA   ASP  72           HA       ASP  72   4.744  -8.662   2.208
  564   1HB   ASP  72          2HB       ASP  72   4.354 -11.541   3.111
  565   2HB   ASP  72          3HB       ASP  72   5.191 -10.953   1.682
  566    H    GLU  73           H        GLU  73   2.201 -10.448   3.980
  567    HA   GLU  73           HA       GLU  73   0.290 -10.714   1.865
  568   1HB   GLU  73          2HB       GLU  73  -0.070 -10.252   4.858
  569   2HB   GLU  73          3HB       GLU  73  -1.375 -10.656   3.738
  570   1HG   GLU  73          2HG       GLU  73  -0.608 -12.861   3.408
  571   2HG   GLU  73          3HG       GLU  73   0.918 -12.548   4.237
  572    H    ALA  74           H        ALA  74   1.030  -7.922   4.037
  573    HA   ALA  74           HA       ALA  74  -1.350  -6.428   3.264
  574   1HB   ALA  74          1HB       ALA  74  -0.068  -6.136   5.448
  575   2HB   ALA  74          2HB       ALA  74   1.225  -5.362   4.502
  576   3HB   ALA  74          3HB       ALA  74  -0.378  -4.638   4.544
  577    H    VAL  75           H        VAL  75   2.107  -6.457   2.284
  578    HA   VAL  75           HA       VAL  75   1.793  -4.283   0.417
  579    HB   VAL  75           HB       VAL  75   3.930  -6.380   0.016
  580   1HG1  VAL  75          1HG1      VAL  75   3.543  -4.260  -1.452
  581   2HG1  VAL  75          2HG1      VAL  75   4.069  -3.353  -0.031
  582   3HG1  VAL  75          3HG1      VAL  75   5.179  -4.496  -0.798
  583   1HG2  VAL  75          1HG2      VAL  75   3.744  -4.386   2.306
  584   2HG2  VAL  75          2HG2      VAL  75   4.297  -6.081   2.317
  585   3HG2  VAL  75          3HG2      VAL  75   5.324  -4.852   1.616
  586    H    ASP  76           H        ASP  76   1.783  -7.874  -0.098
  587    HA   ASP  76           HA       ASP  76   1.060  -7.922  -2.823
  588   1HB   ASP  76          2HB       ASP  76   1.736  -9.887  -1.546
  589   2HB   ASP  76          3HB       ASP  76   0.302  -9.758  -0.522
  590    H    ALA  77           H        ALA  77  -1.121  -7.682   0.065
  591    HA   ALA  77           HA       ALA  77  -3.532  -7.552  -1.447
  592   1HB   ALA  77          1HB       ALA  77  -3.485  -7.995   0.963
  593   2HB   ALA  77          2HB       ALA  77  -2.877  -6.355   1.279
  594   3HB   ALA  77          3HB       ALA  77  -4.505  -6.587   0.608
  595    H    ALA  78           H        ALA  78  -1.305  -4.883  -0.393
  596    HA   ALA  78           HA       ALA  78  -2.878  -2.799  -1.569
  597   1HB   ALA  78          1HB       ALA  78  -1.132  -2.446   0.112
  598   2HB   ALA  78          2HB       ALA  78   0.131  -2.891  -1.061
  599   3HB   ALA  78          3HB       ALA  78  -0.864  -1.444  -1.317
  600    H    TYR  79           H        TYR  79  -0.133  -4.711  -2.986
  601    HA   TYR  79           HA       TYR  79  -0.162  -3.433  -5.540
  602   1HB   TYR  79          2HB       TYR  79   0.510  -6.294  -4.720
  603   2HB   TYR  79          3HB       TYR  79   0.768  -5.666  -6.330
  604    HD1  TYR  79           HD1      TYR  79   2.464  -6.437  -3.383
  605    HD2  TYR  79           HD2      TYR  79   2.157  -3.311  -6.362
  606    HE1  TYR  79           HE1      TYR  79   4.852  -5.841  -3.040
  607    HE2  TYR  79           HE2      TYR  79   4.520  -2.665  -5.929
  608    HH   TYR  79           HH       TYR  79   6.508  -3.171  -4.727
  609    H    ARG  80           H        ARG  80  -2.007  -6.317  -4.395
  610    HA   ARG  80           HA       ARG  80  -3.395  -6.702  -6.911
  611   1HB   ARG  80          2HB       ARG  80  -3.864  -7.712  -4.081
  612   2HB   ARG  80          3HB       ARG  80  -4.853  -8.213  -5.460
  613   1HG   ARG  80          2HG       ARG  80  -3.036  -9.291  -6.560
  614   2HG   ARG  80          3HG       ARG  80  -1.823  -8.468  -5.578
  615   1HD   ARG  80          2HD       ARG  80  -1.949 -10.740  -4.842
  616   2HD   ARG  80          3HD       ARG  80  -2.560  -9.658  -3.581
  617    HE   ARG  80           HE       ARG  80  -4.671 -10.705  -5.269
  618   1HH1  ARG  80          1HH2      ARG  80  -2.625 -11.545  -2.477
  619   2HH1  ARG  80          2HH2      ARG  80  -3.828 -12.629  -1.829
  620   1HH2  ARG  80          1HH1      ARG  80  -6.143 -12.139  -4.370
  621   2HH2  ARG  80          2HH1      ARG  80  -5.756 -12.971  -2.890
  622    H    SER  81           H        SER  81  -4.322  -4.982  -3.910
  623    HA   SER  81           HA       SER  81  -6.959  -4.237  -4.725
  624   1HB   SER  81          2HB       SER  81  -6.120  -4.011  -2.419
  625   2HB   SER  81          3HB       SER  81  -4.933  -2.803  -2.953
  626    HG   SER  81           HG       SER  81  -6.694  -1.731  -2.137
  627    H    LEU  82           H        LEU  82  -3.758  -2.601  -5.208
  628    HA   LEU  82           HA       LEU  82  -4.781  -0.445  -6.735
  629   1HB   LEU  82          2HB       LEU  82  -2.480  -0.667  -5.759
  630   2HB   LEU  82          3HB       LEU  82  -2.083  -1.821  -7.025
  631    HG   LEU  82           HG       LEU  82  -2.643  -0.008  -8.734
  632   1HD1  LEU  82          1HD1      LEU  82  -3.996   1.503  -7.320
  633   2HD1  LEU  82          2HD1      LEU  82  -2.600   1.774  -6.255
  634   3HD1  LEU  82          3HD1      LEU  82  -2.572   2.341  -7.939
  635   1HD2  LEU  82          1HD2      LEU  82  -0.391   0.571  -6.778
  636   2HD2  LEU  82          2HD2      LEU  82  -0.343  -0.566  -8.141
  637   3HD2  LEU  82          3HD2      LEU  82  -0.520   1.171  -8.447
  638    H    GLU  83           H        GLU  83  -3.560  -3.696  -7.925
  639    HA   GLU  83           HA       GLU  83  -4.118  -3.024 -10.632
  640   1HB   GLU  83          2HB       GLU  83  -2.722  -4.972  -9.724
  641   2HB   GLU  83          3HB       GLU  83  -4.246  -5.841  -9.516
  642   1HG   GLU  83          2HG       GLU  83  -3.280  -6.479 -11.633
  643   2HG   GLU  83          3HG       GLU  83  -4.703  -5.504 -11.980
  644    H    SER  84           H        SER  84  -6.281  -4.627  -8.214
  645    HA   SER  84           HA       SER  84  -8.527  -4.846  -9.988
  646   1HB   SER  84          2HB       SER  84  -8.409  -4.586  -6.955
  647   2HB   SER  84          3HB       SER  84  -9.865  -4.994  -7.886
  648    HG   SER  84           HG       SER  84  -8.512  -6.749  -8.789
  649    H    PHE  85           H        PHE  85  -7.288  -2.013  -8.270
  650    HA   PHE  85           HA       PHE  85  -9.647  -0.389  -8.884
  651   1HB   PHE  85          2HB       PHE  85  -8.290   0.028  -6.914
  652   2HB   PHE  85          3HB       PHE  85  -6.846   0.222  -7.881
  653    HD1  PHE  85           HD1      PHE  85 -10.314   1.687  -7.701
  654    HD2  PHE  85           HD2      PHE  85  -6.107   2.383  -8.283
  655    HE1  PHE  85           HE1      PHE  85 -10.684   4.150  -7.495
  656    HE2  PHE  85           HE2      PHE  85  -6.492   4.830  -8.185
  657    HZ   PHE  85           HZ       PHE  85  -8.763   5.713  -7.710
  658    H    LEU  86           H        LEU  86  -6.363  -0.807 -10.248
  659    HA   LEU  86           HA       LEU  86  -6.597   1.057 -12.409
  660   1HB   LEU  86          2HB       LEU  86  -4.822  -1.277 -11.748
  661   2HB   LEU  86          3HB       LEU  86  -4.795  -0.656 -13.372
  662    HG   LEU  86           HG       LEU  86  -3.067   0.197 -11.597
  663   1HD1  LEU  86          1HD1      LEU  86  -3.218   1.010 -13.901
  664   2HD1  LEU  86          2HD1      LEU  86  -4.489   2.156 -13.427
  665   3HD1  LEU  86          3HD1      LEU  86  -2.847   2.325 -12.780
  666   1HD2  LEU  86          1HD2      LEU  86  -5.291   2.216 -11.015
  667   2HD2  LEU  86          2HD2      LEU  86  -4.645   1.033  -9.871
  668   3HD2  LEU  86          3HD2      LEU  86  -3.601   2.307 -10.494
  669    H    ASP  87           H        ASP  87  -8.105  -2.036 -12.026
  670    HA   ASP  87           HA       ASP  87  -8.839  -2.836 -14.567
  671   1HB   ASP  87          2HB       ASP  87  -9.729  -3.827 -12.529
  672   2HB   ASP  87          3HB       ASP  87 -10.505  -2.307 -12.078
  673    H    GLY  88           H        GLY  88 -10.079   0.090 -12.811
  674   1HA   GLY  88          2HA       GLY  88 -11.797   0.924 -14.986
  675   2HA   GLY  88          3HA       GLY  88 -11.339   1.874 -13.572
  676    H    PHE  89           H        PHE  89  -8.436   1.028 -14.874
  677    HA   PHE  89           HA       PHE  89  -8.252   3.406 -16.699
  678   1HB   PHE  89          2HB       PHE  89  -6.368   2.231 -14.638
  679   2HB   PHE  89          3HB       PHE  89  -5.739   3.164 -15.975
  680    HD1  PHE  89           HD1      PHE  89  -6.253   3.488 -12.662
  681    HD2  PHE  89           HD2      PHE  89  -7.281   5.487 -16.338
  682    HE1  PHE  89           HE1      PHE  89  -6.240   5.663 -11.478
  683    HE2  PHE  89           HE2      PHE  89  -7.322   7.655 -15.140
  684    HZ   PHE  89           HZ       PHE  89  -6.766   7.756 -12.718
  685    H    ARG  90           H        ARG  90  -7.467  -0.026 -16.267
  686    HA   ARG  90           HA       ARG  90  -6.179  -0.059 -18.978
  687   1HB   ARG  90          2HB       ARG  90  -5.357  -1.661 -16.518
  688   2HB   ARG  90          3HB       ARG  90  -4.581  -1.662 -18.106
  689   1HG   ARG  90          2HG       ARG  90  -4.255   0.896 -17.724
  690   2HG   ARG  90          3HG       ARG  90  -4.595   0.548 -16.023
  691   1HD   ARG  90          2HD       ARG  90  -2.400  -0.705 -17.730
  692   2HD   ARG  90          3HD       ARG  90  -2.175   0.608 -16.564
  693    HE   ARG  90           HE       ARG  90  -3.335  -1.600 -15.180
  694   1HH1  ARG  90          1HH2      ARG  90  -0.293  -0.881 -16.796
  695   2HH1  ARG  90          2HH2      ARG  90   0.611  -1.937 -15.741
  696   1HH2  ARG  90          1HH1      ARG  90  -2.118  -2.952 -13.855
  697   2HH2  ARG  90          2HH1      ARG  90  -0.440  -3.140 -14.136
  698    H    GLU  91           H        GLU  91  -8.574  -1.616 -17.013
  699    HA   GLU  91           HA       GLU  91  -9.731  -3.543 -17.161
  700   1HB   GLU  91          2HB       GLU  91 -10.479  -2.137 -19.151
  701   2HB   GLU  91          3HB       GLU  91  -9.553  -3.233 -20.175
  702   1HG   GLU  91          2HG       GLU  91 -10.960  -5.139 -19.339
  703   2HG   GLU  91          3HG       GLU  91 -11.830  -4.021 -18.292
  Start of MODEL   17
    1    H    MET   1           H1       MET   1 -14.654   3.103 -18.173
    2    HA   MET   1           HA       MET   1 -12.518   4.161 -18.124
    3   1HB   MET   1          2HB       MET   1 -13.888   6.384 -19.711
    4   2HB   MET   1          3HB       MET   1 -12.248   6.414 -19.065
    5   1HG   MET   1          2HG       MET   1 -11.614   4.577 -20.613
    6   2HG   MET   1          3HG       MET   1 -13.264   4.586 -21.269
    7   1HE   MET   1          1HE       MET   1 -10.923   4.845 -23.289
    8   2HE   MET   1          2HE       MET   1 -12.631   5.039 -23.762
    9   3HE   MET   1          3HE       MET   1 -11.426   6.243 -24.267
   10    H    SER   2           H        SER   2 -12.334   4.948 -16.064
   11    HA   SER   2           HA       SER   2 -13.921   7.341 -15.342
   12   1HB   SER   2          2HB       SER   2 -15.281   5.506 -14.495
   13   2HB   SER   2          3HB       SER   2 -13.876   4.807 -13.678
   14    HG   SER   2           HG       SER   2 -13.742   6.999 -12.668
   15    H    LEU   3           H        LEU   3 -10.949   6.402 -15.848
   16    HA   LEU   3           HA       LEU   3  -9.609   7.372 -13.431
   17   1HB   LEU   3          2HB       LEU   3  -8.664   6.734 -16.258
   18   2HB   LEU   3          3HB       LEU   3  -7.591   7.372 -15.026
   19    HG   LEU   3           HG       LEU   3  -9.010   4.699 -14.876
   20   1HD1  LEU   3          1HD1      LEU   3  -7.136   4.847 -16.494
   21   2HD1  LEU   3          2HD1      LEU   3  -6.071   5.443 -15.204
   22   3HD1  LEU   3          3HD1      LEU   3  -6.739   3.803 -15.110
   23   1HD2  LEU   3          1HD2      LEU   3  -7.010   5.992 -12.950
   24   2HD2  LEU   3          2HD2      LEU   3  -8.705   5.606 -12.583
   25   3HD2  LEU   3          3HD2      LEU   3  -7.558   4.305 -12.888
   26    H    ARG   4           H        ARG   4  -7.806   9.119 -14.201
   27    HA   ARG   4           HA       ARG   4  -9.253  11.582 -15.083
   28   1HB   ARG   4          2HB       ARG   4  -7.602  10.957 -12.580
   29   2HB   ARG   4          3HB       ARG   4  -7.816  12.606 -13.118
   30   1HG   ARG   4          2HG       ARG   4 -10.154  10.769 -12.427
   31   2HG   ARG   4          3HG       ARG   4  -9.357  11.878 -11.308
   32   1HD   ARG   4          2HD       ARG   4  -9.806  13.697 -13.176
   33   2HD   ARG   4          3HD       ARG   4 -10.980  12.528 -13.787
   34    HE   ARG   4           HE       ARG   4 -12.392  13.125 -12.075
   35   1HH1  ARG   4          1HH2      ARG   4  -9.140  13.974 -10.943
   36   2HH1  ARG   4          2HH2      ARG   4  -9.750  14.965  -9.662
   37   1HH2  ARG   4          1HH1      ARG   4 -13.096  14.376 -10.363
   38   2HH2  ARG   4          2HH1      ARG   4 -11.945  15.149  -9.315
   39    H    LYS   5           H        LYS   5  -7.702  13.399 -15.406
   40    HA   LYS   5           HA       LYS   5  -5.253  12.739 -16.899
   41   1HB   LYS   5          2HB       LYS   5  -6.413  15.297 -15.690
   42   2HB   LYS   5          3HB       LYS   5  -4.824  15.239 -16.442
   43   1HG   LYS   5          2HG       LYS   5  -7.329  14.417 -17.970
   44   2HG   LYS   5          3HG       LYS   5  -6.814  16.102 -17.829
   45   1HD   LYS   5          2HD       LYS   5  -4.581  15.493 -18.775
   46   2HD   LYS   5          3HD       LYS   5  -5.180  13.842 -19.060
   47   1HE   LYS   5          2HE       LYS   5  -6.943  14.704 -20.534
   48   2HE   LYS   5          3HE       LYS   5  -6.501  16.372 -20.141
   49   1HZ   LYS   5          1HZ       LYS   5  -4.354  15.997 -21.178
   50   2HZ   LYS   5          2HZ       LYS   5  -4.749  14.445 -21.548
   51   3HZ   LYS   5          3HZ       LYS   5  -5.557  15.692 -22.255
   52    H    LEU   6           H        LEU   6  -3.712  11.717 -15.688
   53    HA   LEU   6           HA       LEU   6  -3.787  11.848 -12.814
   54   1HB   LEU   6          2HB       LEU   6  -1.752  10.568 -14.679
   55   2HB   LEU   6          3HB       LEU   6  -1.818  10.342 -12.937
   56    HG   LEU   6           HG       LEU   6  -3.947   9.471 -14.927
   57   1HD1  LEU   6          1HD1      LEU   6  -1.891   8.107 -14.936
   58   2HD1  LEU   6          2HD1      LEU   6  -2.037   7.868 -13.180
   59   3HD1  LEU   6          3HD1      LEU   6  -3.267   7.205 -14.278
   60   1HD2  LEU   6          1HD2      LEU   6  -3.862   9.133 -11.892
   61   2HD2  LEU   6          2HD2      LEU   6  -5.075  10.044 -12.824
   62   3HD2  LEU   6          3HD2      LEU   6  -4.985   8.289 -12.978
   63    H    THR   7           H        THR   7  -3.280  13.647 -11.801
   64    HA   THR   7           HA       THR   7  -0.761  15.114 -12.435
   65    HB   THR   7           HB       THR   7  -1.688  16.906 -11.132
   66    HG1  THR   7           1HG      THR   7  -3.881  15.115 -10.540
   67   1HG2  THR   7          1HG2      THR   7  -2.518  16.705 -13.488
   68   2HG2  THR   7          2HG2      THR   7  -3.995  15.948 -12.845
   69   3HG2  THR   7          3HG2      THR   7  -3.579  17.607 -12.387
   70    H    GLU   8           H        GLU   8   0.208  16.116 -10.333
   71    HA   GLU   8           HA       GLU   8   1.236  14.254  -8.505
   72   1HB   GLU   8          2HB       GLU   8   0.600  17.213  -8.184
   73   2HB   GLU   8          3HB       GLU   8   1.626  16.285  -7.076
   74   1HG   GLU   8          2HG       GLU   8   3.302  15.920  -8.753
   75   2HG   GLU   8          3HG       GLU   8   2.257  16.477 -10.051
   76    H    GLY   9           H        GLY   9  -1.894  16.007  -8.378
   77   1HA   GLY   9          2HA       GLY   9  -2.603  15.274  -5.686
   78   2HA   GLY   9          3HA       GLY   9  -3.695  15.796  -6.989
   79    H    ASP  10           H        ASP  10  -3.425  13.805  -8.888
   80    HA   ASP  10           HA       ASP  10  -5.023  11.687  -7.789
   81   1HB   ASP  10          2HB       ASP  10  -3.551  11.655 -10.445
   82   2HB   ASP  10          3HB       ASP  10  -5.029  10.796 -10.017
   83    H    LEU  11           H        LEU  11  -1.564  11.940  -8.662
   84    HA   LEU  11           HA       LEU  11  -0.832   9.250  -7.903
   85   1HB   LEU  11          2HB       LEU  11   0.654  11.825  -8.372
   86   2HB   LEU  11          3HB       LEU  11   1.486  10.465  -7.663
   87    HG   LEU  11           HG       LEU  11   1.207   9.105  -9.566
   88   1HD1  LEU  11          1HD1      LEU  11  -1.070   9.581 -10.329
   89   2HD1  LEU  11          2HD1      LEU  11  -0.532  11.166 -10.939
   90   3HD1  LEU  11          3HD1      LEU  11   0.108   9.672 -11.643
   91   1HD2  LEU  11          1HD2      LEU  11   1.866  11.907 -10.540
   92   2HD2  LEU  11          2HD2      LEU  11   2.978  10.824  -9.673
   93   3HD2  LEU  11          3HD2      LEU  11   2.390  10.379 -11.283
   94    H    ASP  12           H        ASP  12  -0.893  12.311  -5.959
   95    HA   ASP  12           HA       ASP  12   0.023  11.063  -3.552
   96   1HB   ASP  12          2HB       ASP  12  -1.671  13.533  -4.092
   97   2HB   ASP  12          3HB       ASP  12  -1.265  13.003  -2.464
   98    H    GLU  13           H        GLU  13  -3.336  11.495  -4.837
   99    HA   GLU  13           HA       GLU  13  -4.665  10.217  -2.643
  100   1HB   GLU  13          2HB       GLU  13  -5.317  10.541  -5.593
  101   2HB   GLU  13          3HB       GLU  13  -6.400   9.678  -4.511
  102   1HG   GLU  13          2HG       GLU  13  -5.506  12.511  -3.868
  103   2HG   GLU  13          3HG       GLU  13  -6.836  12.182  -4.976
  104    H    ILE  14           H        ILE  14  -3.374   8.771  -5.709
  105    HA   ILE  14           HA       ILE  14  -4.069   6.071  -4.991
  106    HB   ILE  14           HB       ILE  14  -2.057   7.280  -6.898
  107   1HG1  ILE  14          2HG1      ILE  14  -4.578   5.619  -7.357
  108   2HG1  ILE  14          3HG1      ILE  14  -4.589   7.376  -7.293
  109   1HG2  ILE  14          1HG2      ILE  14  -1.048   5.136  -6.250
  110   2HG2  ILE  14          2HG2      ILE  14  -2.600   4.301  -6.484
  111   3HG2  ILE  14          3HG2      ILE  14  -1.712   4.987  -7.862
  112   1HD1  ILE  14          1HD1      ILE  14  -3.046   7.449  -9.260
  113   2HD1  ILE  14          2HD1      ILE  14  -3.200   5.677  -9.395
  114   3HD1  ILE  14          3HD1      ILE  14  -4.625   6.701  -9.591
  115    H    SER  15           H        SER  15  -1.025   7.925  -4.462
  116    HA   SER  15           HA       SER  15   0.373   5.784  -3.196
  117   1HB   SER  15          2HB       SER  15   0.754   8.758  -2.715
  118   2HB   SER  15          3HB       SER  15   1.933   7.461  -2.404
  119    HG   SER  15           HG       SER  15   0.895   8.414  -4.884
  120    H    SER  16           H        SER  16  -1.776   8.290  -1.858
  121    HA   SER  16           HA       SER  16  -1.573   7.529   0.904
  122   1HB   SER  16          2HB       SER  16  -3.926   8.817  -0.542
  123   2HB   SER  16          3HB       SER  16  -3.617   8.815   1.204
  124    HG   SER  16           HG       SER  16  -2.158  10.082  -0.885
  125    H    PHE  17           H        PHE  17  -3.903   6.547  -1.705
  126    HA   PHE  17           HA       PHE  17  -5.459   4.781  -0.103
  127   1HB   PHE  17          2HB       PHE  17  -6.175   5.544  -2.288
  128   2HB   PHE  17          3HB       PHE  17  -4.786   4.807  -3.067
  129    HD1  PHE  17           HD1      PHE  17  -4.852   2.554  -3.837
  130    HD2  PHE  17           HD2      PHE  17  -7.888   3.997  -1.134
  131    HE1  PHE  17           HE1      PHE  17  -6.141   0.459  -4.167
  132    HE2  PHE  17           HE2      PHE  17  -9.174   1.898  -1.465
  133    HZ   PHE  17           HZ       PHE  17  -8.311   0.136  -2.977
  134    H    LEU  18           H        LEU  18  -2.463   4.153  -1.979
  135    HA   LEU  18           HA       LEU  18  -2.253   1.378  -1.305
  136   1HB   LEU  18          2HB       LEU  18  -0.227   3.488  -2.110
  137   2HB   LEU  18          3HB       LEU  18   0.210   1.793  -1.890
  138    HG   LEU  18           HG       LEU  18  -1.942   2.721  -3.853
  139   1HD1  LEU  18          1HD1      LEU  18   0.216   3.656  -4.517
  140   2HD1  LEU  18          2HD1      LEU  18   0.984   2.060  -4.361
  141   3HD1  LEU  18          3HD1      LEU  18  -0.251   2.348  -5.609
  142   1HD2  LEU  18          1HD2      LEU  18  -0.515   0.066  -3.486
  143   2HD2  LEU  18          2HD2      LEU  18  -2.246   0.394  -3.253
  144   3HD2  LEU  18          3HD2      LEU  18  -1.536   0.501  -4.861
  145    H    HIS  19           H        HIS  19  -0.677   4.249   0.352
  146    HA   HIS  19           HA       HIS  19   0.459   2.753   2.470
  147   1HB   HIS  19          2HB       HIS  19   1.055   5.041   2.356
  148   2HB   HIS  19          3HB       HIS  19  -0.623   5.575   2.222
  149    HD1  HIS  19           HD1      HIS  19  -1.858   6.195   4.428
  150    HD2  HIS  19           HD2      HIS  19   1.334   3.564   4.973
  151    HE1  HIS  19           HE1      HIS  19  -1.583   5.935   6.920
  152    H    ASN  20           H        ASN  20  -2.814   4.270   2.323
  153    HA   ASN  20           HA       ASN  20  -3.576   3.426   4.921
  154   1HB   ASN  20          2HB       ASN  20  -5.279   4.069   2.477
  155   2HB   ASN  20          3HB       ASN  20  -5.900   3.874   4.114
  156   1HD2  ASN  20          2HD2      ASN  20  -6.600   6.181   3.149
  157   2HD2  ASN  20          1HD2      ASN  20  -5.551   7.476   3.723
  158    H    THR  21           H        THR  21  -3.925   1.764   1.768
  159    HA   THR  21           HA       THR  21  -5.417  -0.471   2.695
  160    HB   THR  21           HB       THR  21  -3.342  -0.404   0.461
  161    HG1  THR  21           1HG      THR  21  -4.910   1.131   0.078
  162   1HG2  THR  21          1HG2      THR  21  -3.952  -2.714   0.950
  163   2HG2  THR  21          2HG2      THR  21  -5.676  -2.277   1.035
  164   3HG2  THR  21          3HG2      THR  21  -4.813  -2.197  -0.511
  165    H    ILE  22           H        ILE  22  -1.802  -0.068   2.524
  166    HA   ILE  22           HA       ILE  22  -1.268  -2.668   3.681
  167    HB   ILE  22           HB       ILE  22   0.436  -0.153   3.720
  168   1HG1  ILE  22          2HG1      ILE  22   0.379  -2.482   1.762
  169   2HG1  ILE  22          3HG1      ILE  22  -0.107  -0.821   1.436
  170   1HG2  ILE  22          1HG2      ILE  22   1.121  -2.112   5.345
  171   2HG2  ILE  22          2HG2      ILE  22   1.528  -2.987   3.847
  172   3HG2  ILE  22          3HG2      ILE  22   2.340  -1.491   4.243
  173   1HD1  ILE  22          1HD1      ILE  22   2.348  -0.223   2.177
  174   2HD1  ILE  22          2HD1      ILE  22   2.635  -1.945   1.799
  175   3HD1  ILE  22          3HD1      ILE  22   1.964  -0.849   0.543
  176    H    SER  23           H        SER  23  -1.445   0.638   5.141
  177    HA   SER  23           HA       SER  23  -0.812  -0.151   7.766
  178   1HB   SER  23          2HB       SER  23  -2.294   2.215   6.634
  179   2HB   SER  23          3HB       SER  23  -2.039   2.011   8.388
  180    HG   SER  23           HG       SER  23  -0.279   3.115   6.996
  181    H    ASP  24           H        ASP  24  -4.093   0.164   6.236
  182    HA   ASP  24           HA       ASP  24  -5.518  -0.762   8.565
  183   1HB   ASP  24          2HB       ASP  24  -6.267  -0.675   5.616
  184   2HB   ASP  24          3HB       ASP  24  -7.362  -1.184   6.897
  185    H    PHE  25           H        PHE  25  -4.170  -2.541   5.680
  186    HA   PHE  25           HA       PHE  25  -5.197  -5.085   6.449
  187   1HB   PHE  25          2HB       PHE  25  -4.166  -4.568   4.251
  188   2HB   PHE  25          3HB       PHE  25  -2.586  -4.469   5.019
  189    HD1  PHE  25           HD1      PHE  25  -1.619  -6.576   6.130
  190    HD2  PHE  25           HD2      PHE  25  -5.101  -6.657   3.591
  191    HE1  PHE  25           HE1      PHE  25  -1.376  -9.020   5.874
  192    HE2  PHE  25           HE2      PHE  25  -4.886  -9.121   3.383
  193    HZ   PHE  25           HZ       PHE  25  -3.037 -10.310   4.548
  194    H    ILE  26           H        ILE  26  -2.124  -3.440   7.423
  195    HA   ILE  26           HA       ILE  26  -1.156  -5.509   9.116
  196    HB   ILE  26           HB       ILE  26  -0.735  -2.528   8.821
  197   1HG1  ILE  26          2HG1      ILE  26   1.125  -4.939   8.565
  198   2HG1  ILE  26          3HG1      ILE  26   0.256  -4.188   7.229
  199   1HG2  ILE  26          1HG2      ILE  26  -0.577  -2.807  11.205
  200   2HG2  ILE  26          2HG2      ILE  26   0.467  -4.238  11.020
  201   3HG2  ILE  26          3HG2      ILE  26   1.028  -2.606  10.554
  202   1HD1  ILE  26          1HD1      ILE  26   1.466  -2.025   7.734
  203   2HD1  ILE  26          2HD1      ILE  26   2.487  -2.936   8.870
  204   3HD1  ILE  26          3HD1      ILE  26   2.487  -3.358   7.154
  205    H    LEU  27           H        LEU  27  -3.149  -2.586   9.956
  206    HA   LEU  27           HA       LEU  27  -3.569  -3.365  12.662
  207   1HB   LEU  27          2HB       LEU  27  -4.776  -1.422  10.728
  208   2HB   LEU  27          3HB       LEU  27  -5.812  -1.886  12.052
  209    HG   LEU  27           HG       LEU  27  -4.564   0.184  12.477
  210   1HD1  LEU  27          1HD1      LEU  27  -5.380  -1.264  14.332
  211   2HD1  LEU  27          2HD1      LEU  27  -3.774  -2.021  14.420
  212   3HD1  LEU  27          3HD1      LEU  27  -3.970  -0.285  14.760
  213   1HD2  LEU  27          1HD2      LEU  27  -2.057  -1.536  12.676
  214   2HD2  LEU  27          2HD2      LEU  27  -2.410  -0.376  11.377
  215   3HD2  LEU  27          3HD2      LEU  27  -2.201   0.195  13.038
  216    H    LYS  28           H        LYS  28  -5.271  -4.468   9.763
  217    HA   LYS  28           HA       LYS  28  -7.263  -5.924  11.331
  218   1HB   LYS  28          2HB       LYS  28  -6.484  -5.903   8.388
  219   2HB   LYS  28          3HB       LYS  28  -7.738  -6.968   8.997
  220   1HG   LYS  28          2HG       LYS  28  -7.951  -3.991   9.544
  221   2HG   LYS  28          3HG       LYS  28  -8.328  -4.623   7.946
  222   1HD   LYS  28          2HD       LYS  28 -10.347  -4.395   9.260
  223   2HD   LYS  28          3HD       LYS  28 -10.052  -6.092   8.855
  224   1HE   LYS  28          2HE       LYS  28  -9.176  -6.512  11.113
  225   2HE   LYS  28          3HE       LYS  28  -9.351  -4.797  11.526
  226   1HZ   LYS  28          1HZ       LYS  28 -11.739  -5.045  11.218
  227   2HZ   LYS  28          2HZ       LYS  28 -11.565  -6.637  10.835
  228   3HZ   LYS  28          3HZ       LYS  28 -11.199  -6.111  12.351
  229    H    ARG  29           H        ARG  29  -4.017  -6.683  10.382
  230    HA   ARG  29           HA       ARG  29  -4.491  -9.585  10.934
  231   1HB   ARG  29          2HB       ARG  29  -2.349  -8.016   9.479
  232   2HB   ARG  29          3HB       ARG  29  -1.976  -9.600  10.116
  233   1HG   ARG  29          2HG       ARG  29  -4.306  -9.118   8.251
  234   2HG   ARG  29          3HG       ARG  29  -2.687  -9.540   7.707
  235   1HD   ARG  29          2HD       ARG  29  -4.040 -11.344   9.710
  236   2HD   ARG  29          3HD       ARG  29  -4.530 -11.392   8.020
  237    HE   ARG  29           HE       ARG  29  -2.183 -11.932   7.374
  238   1HH1  ARG  29          1HH2      ARG  29  -2.968 -12.721  10.797
  239   2HH1  ARG  29          2HH2      ARG  29  -1.695 -13.969  10.738
  240   1HH2  ARG  29          1HH1      ARG  29  -0.608 -13.529   7.631
  241   2HH2  ARG  29          2HH1      ARG  29  -0.589 -14.360   9.218
  242    H    VAL  30           H        VAL  30  -2.712  -6.809  12.292
  243    HA   VAL  30           HA       VAL  30  -2.290  -8.428  14.755
  244    HB   VAL  30           HB       VAL  30  -0.095  -6.702  13.529
  245   1HG1  VAL  30          1HG1      VAL  30   0.100  -6.794  15.948
  246   2HG1  VAL  30          2HG1      VAL  30  -0.210  -8.550  15.957
  247   3HG1  VAL  30          3HG1      VAL  30   1.292  -7.905  15.291
  248   1HG2  VAL  30          1HG2      VAL  30   1.163  -8.800  13.169
  249   2HG2  VAL  30          2HG2      VAL  30  -0.294  -9.732  13.596
  250   3HG2  VAL  30          3HG2      VAL  30  -0.266  -8.691  12.150
  251    H    SER  31           H        SER  31  -2.302  -7.190  16.671
  252    HA   SER  31           HA       SER  31  -3.735  -4.657  16.488
  253   1HB   SER  31          2HB       SER  31  -4.174  -6.309  18.299
  254   2HB   SER  31          3HB       SER  31  -2.522  -6.053  18.907
  255    HG   SER  31           HG       SER  31  -4.756  -4.451  19.107
  256    H    ALA  32           H        ALA  32  -2.907  -2.615  16.603
  257    HA   ALA  32           HA       ALA  32  -0.255  -1.845  16.710
  258   1HB   ALA  32          1HB       ALA  32  -2.046  -0.341  16.091
  259   2HB   ALA  32          2HB       ALA  32  -2.718  -0.392  17.743
  260   3HB   ALA  32          3HB       ALA  32  -1.129   0.349  17.435
  261    H    LYS  33           H        LYS  33  -2.226  -3.048  19.379
  262    HA   LYS  33           HA       LYS  33  -0.625  -1.974  21.520
  263   1HB   LYS  33          2HB       LYS  33  -3.053  -2.891  21.539
  264   2HB   LYS  33          3HB       LYS  33  -2.314  -4.496  21.670
  265   1HG   LYS  33          2HG       LYS  33  -1.150  -3.761  23.741
  266   2HG   LYS  33          3HG       LYS  33  -1.822  -2.131  23.552
  267   1HD   LYS  33          2HD       LYS  33  -4.119  -3.103  23.775
  268   2HD   LYS  33          3HD       LYS  33  -3.401  -4.698  24.057
  269   1HE   LYS  33          2HE       LYS  33  -2.976  -2.187  25.744
  270   2HE   LYS  33          3HE       LYS  33  -4.021  -3.547  26.174
  271   1HZ   LYS  33          1HZ       LYS  33  -2.056  -4.962  26.223
  272   2HZ   LYS  33          2HZ       LYS  33  -1.088  -3.710  25.796
  273   3HZ   LYS  33          3HZ       LYS  33  -1.851  -3.693  27.254
  274    H    GLU  34           H        GLU  34   0.158  -4.468  19.269
  275    HA   GLU  34           HA       GLU  34   2.524  -5.104  20.985
  276   1HB   GLU  34          2HB       GLU  34   2.594  -7.350  20.229
  277   2HB   GLU  34          3HB       GLU  34   0.981  -7.039  20.863
  278   1HG   GLU  34          2HG       GLU  34   0.172  -6.697  18.512
  279   2HG   GLU  34          3HG       GLU  34   1.773  -7.156  17.917
  280    H    ILE  35           H        ILE  35   1.749  -3.206  18.555
  281    HA   ILE  35           HA       ILE  35   4.200  -3.759  16.923
  282    HB   ILE  35           HB       ILE  35   1.739  -2.086  16.402
  283   1HG1  ILE  35          2HG1      ILE  35   2.850  -4.447  14.824
  284   2HG1  ILE  35          3HG1      ILE  35   1.594  -4.616  16.047
  285   1HG2  ILE  35          1HG2      ILE  35   3.663  -0.870  15.522
  286   2HG2  ILE  35          2HG2      ILE  35   4.201  -2.322  14.641
  287   3HG2  ILE  35          3HG2      ILE  35   2.679  -1.496  14.222
  288   1HD1  ILE  35          1HD1      ILE  35   0.133  -3.064  14.728
  289   2HD1  ILE  35          2HD1      ILE  35   1.357  -3.081  13.435
  290   3HD1  ILE  35          3HD1      ILE  35   0.540  -4.574  13.901
  291    H    VAL  36           H        VAL  36   5.902  -2.500  17.260
  292    HA   VAL  36           HA       VAL  36   5.909  -0.288  19.202
  293    HB   VAL  36           HB       VAL  36   8.017  -1.528  17.375
  294   1HG1  VAL  36          1HG1      VAL  36   8.608   0.793  17.550
  295   2HG1  VAL  36          2HG1      VAL  36   8.341   0.786  19.313
  296   3HG1  VAL  36          3HG1      VAL  36   9.679  -0.145  18.593
  297   1HG2  VAL  36          1HG2      VAL  36   7.732  -1.509  20.410
  298   2HG2  VAL  36          2HG2      VAL  36   7.350  -2.877  19.347
  299   3HG2  VAL  36          3HG2      VAL  36   9.016  -2.307  19.469
  300    H    ASP  37           H        ASP  37   6.461  -0.688  15.661
  301    HA   ASP  37           HA       ASP  37   5.033   1.742  15.056
  302   1HB   ASP  37          2HB       ASP  37   7.539   2.356  15.878
  303   2HB   ASP  37          3HB       ASP  37   7.917   1.977  14.208
  304    H    ILE  38           H        ILE  38   5.508   2.377  12.625
  305    HA   ILE  38           HA       ILE  38   6.269   0.078  10.919
  306    HB   ILE  38           HB       ILE  38   4.379   0.487   9.361
  307   1HG1  ILE  38          2HG1      ILE  38   3.137   2.081  11.650
  308   2HG1  ILE  38          3HG1      ILE  38   3.625   2.704  10.074
  309   1HG2  ILE  38          1HG2      ILE  38   4.464  -1.410  10.975
  310   2HG2  ILE  38          2HG2      ILE  38   3.419  -0.485  12.068
  311   3HG2  ILE  38          3HG2      ILE  38   2.844  -0.969  10.450
  312   1HD1  ILE  38          1HD1      ILE  38   1.925   1.163   9.009
  313   2HD1  ILE  38          2HD1      ILE  38   1.333   0.794  10.645
  314   3HD1  ILE  38          3HD1      ILE  38   1.255   2.450  10.030
  315    H    ASP  39           H        ASP  39   7.206   0.598   9.020
  316    HA   ASP  39           HA       ASP  39   7.427   3.495   8.244
  317   1HB   ASP  39          2HB       ASP  39   9.440   1.230   8.001
  318   2HB   ASP  39          3HB       ASP  39   9.475   2.622   6.932
  319    H    ILE  40           H        ILE  40   6.159   3.844   6.479
  320    HA   ILE  40           HA       ILE  40   6.166   1.776   4.336
  321    HB   ILE  40           HB       ILE  40   3.699   3.150   5.439
  322   1HG1  ILE  40          2HG1      ILE  40   4.152   0.229   4.721
  323   2HG1  ILE  40          3HG1      ILE  40   4.595   0.842   6.322
  324   1HG2  ILE  40          1HG2      ILE  40   3.595   3.377   2.989
  325   2HG2  ILE  40          2HG2      ILE  40   4.104   1.680   2.783
  326   3HG2  ILE  40          3HG2      ILE  40   2.517   2.072   3.460
  327   1HD1  ILE  40          1HD1      ILE  40   2.267   1.517   6.718
  328   2HD1  ILE  40          2HD1      ILE  40   1.815   0.803   5.147
  329   3HD1  ILE  40          3HD1      ILE  40   2.477  -0.225   6.435
  330    H    THR  41           H        THR  41   6.918   2.527   2.591
  331    HA   THR  41           HA       THR  41   6.761   5.436   1.898
  332    HB   THR  41           HB       THR  41   9.019   3.446   1.436
  333    HG1  THR  41           1HG      THR  41   8.777   4.536   3.482
  334   1HG2  THR  41          1HG2      THR  41   8.866   4.863  -0.547
  335   2HG2  THR  41          2HG2      THR  41   8.705   6.323   0.467
  336   3HG2  THR  41          3HG2      THR  41  10.223   5.400   0.450
  337    H    VAL  42           H        VAL  42   5.453   5.707   0.219
  338    HA   VAL  42           HA       VAL  42   5.357   3.633  -1.927
  339    HB   VAL  42           HB       VAL  42   3.122   5.550  -1.153
  340   1HG1  VAL  42          1HG1      VAL  42   3.135   5.150  -3.560
  341   2HG1  VAL  42          2HG1      VAL  42   3.384   3.407  -3.315
  342   3HG1  VAL  42          3HG1      VAL  42   1.857   4.169  -2.841
  343   1HG2  VAL  42          1HG2      VAL  42   3.335   2.525  -0.853
  344   2HG2  VAL  42          2HG2      VAL  42   3.286   3.704   0.475
  345   3HG2  VAL  42          3HG2      VAL  42   1.872   3.495  -0.559
  346    H    LEU  43           H        LEU  43   6.286   4.276  -3.708
  347    HA   LEU  43           HA       LEU  43   6.552   7.190  -4.331
  348   1HB   LEU  43          2HB       LEU  43   8.627   5.121  -4.027
  349   2HB   LEU  43          3HB       LEU  43   8.623   5.788  -5.650
  350    HG   LEU  43           HG       LEU  43   8.820   8.081  -4.749
  351   1HD1  LEU  43          1HD1      LEU  43   7.784   7.840  -2.526
  352   2HD1  LEU  43          2HD1      LEU  43   9.062   6.709  -2.041
  353   3HD1  LEU  43          3HD1      LEU  43   9.444   8.414  -2.361
  354   1HD2  LEU  43          1HD2      LEU  43  10.913   6.134  -3.686
  355   2HD2  LEU  43          2HD2      LEU  43  10.837   6.783  -5.338
  356   3HD2  LEU  43          3HD2      LEU  43  11.156   7.872  -3.978
  357    H    VAL  44           H        VAL  44   6.047   7.812  -6.398
  358    HA   VAL  44           HA       VAL  44   5.381   5.724  -8.385
  359    HB   VAL  44           HB       VAL  44   3.286   6.134  -7.347
  360   1HG1  VAL  44          1HG1      VAL  44   3.621   8.309  -6.275
  361   2HG1  VAL  44          2HG1      VAL  44   3.634   9.110  -7.867
  362   3HG1  VAL  44          3HG1      VAL  44   2.168   8.296  -7.255
  363   1HG2  VAL  44          1HG2      VAL  44   3.339   7.644  -9.986
  364   2HG2  VAL  44          2HG2      VAL  44   3.330   5.874  -9.806
  365   3HG2  VAL  44          3HG2      VAL  44   1.951   6.824  -9.236
  366    H    GLU  45           H        GLU  45   5.860   6.235 -10.443
  367    HA   GLU  45           HA       GLU  45   7.217   8.832 -10.995
  368   1HB   GLU  45          2HB       GLU  45   8.573   6.690  -9.931
  369   2HB   GLU  45          3HB       GLU  45   8.664   6.269 -11.629
  370   1HG   GLU  45          2HG       GLU  45   9.591   8.888 -10.359
  371   2HG   GLU  45          3HG       GLU  45  10.633   7.523 -10.771
  372    H    TYR  46           H        TYR  46   7.775   9.071 -13.318
  373    HA   TYR  46           HA       TYR  46   6.638   7.119 -15.176
  374   1HB   TYR  46          2HB       TYR  46   4.754   8.711 -14.431
  375   2HB   TYR  46          3HB       TYR  46   5.574   9.958 -15.341
  376    HD1  TYR  46           HD1      TYR  46   3.019   7.655 -15.433
  377    HD2  TYR  46           HD2      TYR  46   6.248   9.063 -17.918
  378    HE1  TYR  46           HE1      TYR  46   1.830   6.818 -17.434
  379    HE2  TYR  46           HE2      TYR  46   5.082   8.165 -19.929
  380    HH   TYR  46           HH       TYR  46   1.919   6.525 -19.714
  381    H    THR  47           H        THR  47   8.599   6.822 -16.110
  382    HA   THR  47           HA       THR  47   9.864   9.116 -17.547
  383    HB   THR  47           HB       THR  47  12.084   7.817 -17.085
  384    HG1  THR  47           1HG      THR  47  10.918   7.400 -14.514
  385   1HG2  THR  47          1HG2      THR  47  11.821  10.114 -16.500
  386   2HG2  THR  47          2HG2      THR  47  10.769   9.717 -15.128
  387   3HG2  THR  47          3HG2      THR  47  12.488   9.265 -15.090
  388    H    ASP  48           H        ASP  48   8.669   8.435 -19.280
  389    HA   ASP  48           HA       ASP  48   8.126   7.411 -21.186
  390   1HB   ASP  48          2HB       ASP  48  10.665   7.328 -21.463
  391   2HB   ASP  48          3HB       ASP  48  10.557   5.621 -21.022
  392    H    GLU  49           H        GLU  49   9.044   5.175 -18.616
  393    HA   GLU  49           HA       GLU  49   6.628   3.504 -19.172
  394   1HB   GLU  49          2HB       GLU  49   9.003   2.461 -18.936
  395   2HB   GLU  49          3HB       GLU  49   8.904   2.927 -17.232
  396   1HG   GLU  49          2HG       GLU  49   6.645   1.571 -17.276
  397   2HG   GLU  49          3HG       GLU  49   7.216   0.917 -18.793
  398    H    LEU  50           H        LEU  50   5.166   3.178 -17.418
  399    HA   LEU  50           HA       LEU  50   5.058   5.256 -15.306
  400   1HB   LEU  50          2HB       LEU  50   3.101   4.548 -16.746
  401   2HB   LEU  50          3HB       LEU  50   3.178   2.950 -16.028
  402    HG   LEU  50           HG       LEU  50   2.562   5.540 -14.530
  403   1HD1  LEU  50          1HD1      LEU  50   0.825   4.869 -16.176
  404   2HD1  LEU  50          2HD1      LEU  50   0.738   3.264 -15.418
  405   3HD1  LEU  50          3HD1      LEU  50   0.249   4.713 -14.512
  406   1HD2  LEU  50          1HD2      LEU  50   2.546   2.640 -13.594
  407   2HD2  LEU  50          2HD2      LEU  50   3.356   4.042 -12.846
  408   3HD2  LEU  50          3HD2      LEU  50   1.614   3.919 -12.786
  409    H    LYS  51           H        LYS  51   5.843   4.811 -13.264
  410    HA   LYS  51           HA       LYS  51   6.230   1.947 -12.495
  411   1HB   LYS  51          2HB       LYS  51   8.308   3.739 -13.167
  412   2HB   LYS  51          3HB       LYS  51   8.244   3.817 -11.417
  413   1HG   LYS  51          2HG       LYS  51   9.789   2.108 -11.939
  414   2HG   LYS  51          3HG       LYS  51   8.342   1.261 -11.388
  415   1HD   LYS  51          2HD       LYS  51   7.724   0.845 -13.788
  416   2HD   LYS  51          3HD       LYS  51   9.174   1.731 -14.309
  417   1HE   LYS  51          2HE       LYS  51  10.579   0.087 -13.051
  418   2HE   LYS  51          3HE       LYS  51   9.118  -0.818 -12.625
  419   1HZ   LYS  51          1HZ       LYS  51   8.695  -1.055 -15.077
  420   2HZ   LYS  51          2HZ       LYS  51  10.021  -0.317 -15.418
  421   3HZ   LYS  51          3HZ       LYS  51  10.154  -1.768 -14.633
  422    H    VAL  52           H        VAL  52   6.032   1.423 -10.371
  423    HA   VAL  52           HA       VAL  52   5.512   3.507  -8.388
  424    HB   VAL  52           HB       VAL  52   3.264   2.829  -9.153
  425   1HG1  VAL  52          1HG1      VAL  52   3.695   0.467  -9.768
  426   2HG1  VAL  52          2HG1      VAL  52   3.906   0.064  -8.049
  427   3HG1  VAL  52          3HG1      VAL  52   2.336   0.633  -8.645
  428   1HG2  VAL  52          1HG2      VAL  52   3.829   1.916  -6.304
  429   2HG2  VAL  52          2HG2      VAL  52   3.594   3.597  -6.832
  430   3HG2  VAL  52          3HG2      VAL  52   2.272   2.435  -6.971
  431    H    ASP  53           H        ASP  53   6.230   2.956  -6.382
  432    HA   ASP  53           HA       ASP  53   7.484   0.291  -5.959
  433   1HB   ASP  53          2HB       ASP  53   9.293   1.845  -6.513
  434   2HB   ASP  53          3HB       ASP  53   8.675   3.029  -5.353
  435    H    ILE  54           H        ILE  54   7.189  -0.492  -3.970
  436    HA   ILE  54           HA       ILE  54   5.729   1.077  -1.931
  437    HB   ILE  54           HB       ILE  54   4.814  -1.689  -2.816
  438   1HG1  ILE  54          2HG1      ILE  54   3.528   1.034  -3.288
  439   2HG1  ILE  54          3HG1      ILE  54   4.076  -0.115  -4.514
  440   1HG2  ILE  54          1HG2      ILE  54   4.627  -1.064  -0.345
  441   2HG2  ILE  54          2HG2      ILE  54   3.553   0.251  -0.838
  442   3HG2  ILE  54          3HG2      ILE  54   3.112  -1.446  -1.159
  443   1HD1  ILE  54          1HD1      ILE  54   2.344  -1.749  -3.673
  444   2HD1  ILE  54          2HD1      ILE  54   1.717  -0.462  -2.614
  445   3HD1  ILE  54          3HD1      ILE  54   1.690  -0.263  -4.388
  446    H    SER  55           H        SER  55   7.177   1.077  -0.365
  447    HA   SER  55           HA       SER  55   8.509  -1.511   0.393
  448   1HB   SER  55          2HB       SER  55  10.097   0.173  -0.460
  449   2HB   SER  55          3HB       SER  55   9.512   1.336   0.746
  450    HG   SER  55           HG       SER  55  11.376   0.178   1.447
  451    H    ALA  56           H        ALA  56   7.795  -2.289   2.283
  452    HA   ALA  56           HA       ALA  56   6.754  -0.438   4.349
  453   1HB   ALA  56          1HB       ALA  56   4.816  -1.382   3.124
  454   2HB   ALA  56          2HB       ALA  56   5.407  -3.025   3.486
  455   3HB   ALA  56          3HB       ALA  56   4.885  -1.951   4.803
  456    H    GLU  57           H        GLU  57   7.436  -0.883   6.353
  457    HA   GLU  57           HA       GLU  57   8.391  -3.594   7.026
  458   1HB   GLU  57          2HB       GLU  57  10.415  -2.315   6.393
  459   2HB   GLU  57          3HB       GLU  57   9.992  -1.053   7.555
  460   1HG   GLU  57          2HG       GLU  57  11.750  -2.509   8.427
  461   2HG   GLU  57          3HG       GLU  57  10.313  -2.615   9.423
  462    H    LEU  58           H        LEU  58   8.198  -4.120   9.173
  463    HA   LEU  58           HA       LEU  58   6.382  -2.378  10.796
  464   1HB   LEU  58          2HB       LEU  58   4.964  -3.844   9.571
  465   2HB   LEU  58          3HB       LEU  58   6.056  -5.193   9.802
  466    HG   LEU  58           HG       LEU  58   5.170  -4.356  12.432
  467   1HD1  LEU  58          1HD1      LEU  58   3.223  -3.379  11.360
  468   2HD1  LEU  58          2HD1      LEU  58   2.926  -4.889  10.457
  469   3HD1  LEU  58          3HD1      LEU  58   2.779  -4.851  12.230
  470   1HD2  LEU  58          1HD2      LEU  58   4.593  -6.808  10.706
  471   2HD2  LEU  58          2HD2      LEU  58   5.950  -6.598  11.836
  472   3HD2  LEU  58          3HD2      LEU  58   4.279  -6.683  12.442
  473    H    TYR  59           H        TYR  59   6.940  -2.192  12.836
  474    HA   TYR  59           HA       TYR  59   9.169  -3.915  13.843
  475   1HB   TYR  59          2HB       TYR  59   8.379  -1.129  14.736
  476   2HB   TYR  59          3HB       TYR  59   9.784  -2.053  15.241
  477    HD1  TYR  59           HD1      TYR  59   8.388   0.188  12.734
  478    HD2  TYR  59           HD2      TYR  59  11.617  -2.568  13.501
  479    HE1  TYR  59           HE1      TYR  59   9.693   1.253  10.963
  480    HE2  TYR  59           HE2      TYR  59  12.937  -1.493  11.669
  481    HH   TYR  59           HH       TYR  59  11.687   1.410   9.874
  482    H    LEU  60           H        LEU  60   8.233  -5.537  14.910
  483    HA   LEU  60           HA       LEU  60   5.845  -5.155  16.588
  484   1HB   LEU  60          2HB       LEU  60   7.515  -7.537  15.706
  485   2HB   LEU  60          3HB       LEU  60   6.288  -7.672  16.958
  486    HG   LEU  60           HG       LEU  60   5.635  -6.563  14.238
  487   1HD1  LEU  60          1HD1      LEU  60   6.478  -8.851  13.931
  488   2HD1  LEU  60          2HD1      LEU  60   5.409  -9.438  15.224
  489   3HD1  LEU  60          3HD1      LEU  60   4.720  -8.820  13.704
  490   1HD2  LEU  60          1HD2      LEU  60   3.858  -7.851  16.357
  491   2HD2  LEU  60          2HD2      LEU  60   4.015  -6.111  16.125
  492   3HD2  LEU  60          3HD2      LEU  60   3.339  -7.104  14.826
  493    H    ASP  61           H        ASP  61   5.708  -5.676  18.764
  494    HA   ASP  61           HA       ASP  61   7.920  -4.997  20.487
  495   1HB   ASP  61          2HB       ASP  61   5.553  -4.742  21.123
  496   2HB   ASP  61          3HB       ASP  61   5.320  -6.494  21.024
  497    H    GLU  62           H        GLU  62   9.231  -6.328  21.788
  498    HA   GLU  62           HA       GLU  62  10.201  -8.727  20.573
  499   1HB   GLU  62          2HB       GLU  62  10.740  -7.529  23.320
  500   2HB   GLU  62          3HB       GLU  62  11.655  -8.853  22.588
  501   1HG   GLU  62          2HG       GLU  62  12.237  -7.356  20.663
  502   2HG   GLU  62          3HG       GLU  62  11.446  -6.015  21.500
  503    H    LEU  63           H        LEU  63   7.475  -8.392  22.640
  504    HA   LEU  63           HA       LEU  63   7.471 -11.330  23.140
  505   1HB   LEU  63          2HB       LEU  63   7.342  -9.114  24.935
  506   2HB   LEU  63          3HB       LEU  63   5.720  -9.765  24.881
  507    HG   LEU  63           HG       LEU  63   8.244 -11.402  25.436
  508   1HD1  LEU  63          1HD1      LEU  63   7.817  -9.755  27.213
  509   2HD1  LEU  63          2HD1      LEU  63   6.144 -10.336  27.369
  510   3HD1  LEU  63          3HD1      LEU  63   7.507 -11.402  27.786
  511   1HD2  LEU  63          1HD2      LEU  63   5.296 -12.123  25.757
  512   2HD2  LEU  63          2HD2      LEU  63   6.406 -12.805  24.558
  513   3HD2  LEU  63          3HD2      LEU  63   6.671 -13.129  26.278
  514    H    SER  64           H        SER  64   6.353  -9.387  20.981
  515    HA   SER  64           HA       SER  64   3.522  -9.811  20.704
  516   1HB   SER  64          2HB       SER  64   3.965  -9.346  18.302
  517   2HB   SER  64          3HB       SER  64   4.745  -8.165  19.362
  518    HG   SER  64           HG       SER  64   6.691  -9.019  18.972
  519    H    ASP  65           H        ASP  65   2.562 -11.121  18.832
  520    HA   ASP  65           HA       ASP  65   3.963 -13.643  18.245
  521   1HB   ASP  65          2HB       ASP  65   2.564 -13.758  20.508
  522   2HB   ASP  65          3HB       ASP  65   1.204 -13.987  19.422
  523    H    ALA  66           H        ALA  66   3.969 -13.144  16.151
  524    HA   ALA  66           HA       ALA  66   1.434 -13.101  14.623
  525   1HB   ALA  66          1HB       ALA  66   2.083 -10.761  15.073
  526   2HB   ALA  66          2HB       ALA  66   3.697 -11.071  14.393
  527   3HB   ALA  66          3HB       ALA  66   2.267 -11.135  13.350
  528    H    ASP  67           H        ASP  67   1.914 -13.183  12.153
  529    HA   ASP  67           HA       ASP  67   3.385 -15.648  11.860
  530   1HB   ASP  67          2HB       ASP  67   1.796 -14.027   9.834
  531   2HB   ASP  67          3HB       ASP  67   2.425 -15.647   9.566
  532    HA   PRO  68           HA       PRO  68   7.117 -13.994  10.045
  533   1HB   PRO  68          2HB       PRO  68   8.313 -16.254   9.122
  534   2HB   PRO  68          3HB       PRO  68   7.979 -15.992  10.855
  535   1HG   PRO  68          2HG       PRO  68   6.255 -17.516   8.867
  536   2HG   PRO  68          3HG       PRO  68   6.875 -18.088  10.452
  537   1HD   PRO  68          2HD       PRO  68   4.386 -17.021  10.193
  538   2HD   PRO  68          3HD       PRO  68   5.385 -16.705  11.643
  539    H    GLY  69           H        GLY  69   5.300 -13.068   8.586
  540   1HA   GLY  69          2HA       GLY  69   6.190 -12.696   5.928
  541   2HA   GLY  69          3HA       GLY  69   4.950 -13.952   5.861
  542    H    ILE  70           H        ILE  70   3.877 -12.131   8.378
  543    HA   ILE  70           HA       ILE  70   1.619 -11.269   7.165
  544    HB   ILE  70           HB       ILE  70   2.386 -11.700   9.586
  545   1HG1  ILE  70          2HG1      ILE  70   0.372  -9.482   9.520
  546   2HG1  ILE  70          3HG1      ILE  70   0.035 -11.007   8.691
  547   1HG2  ILE  70          1HG2      ILE  70   4.028  -9.835   9.734
  548   2HG2  ILE  70          2HG2      ILE  70   2.678  -8.672   9.670
  549   3HG2  ILE  70          3HG2      ILE  70   2.824  -9.799  11.023
  550   1HD1  ILE  70          1HD1      ILE  70   0.457 -12.297  10.740
  551   2HD1  ILE  70          2HD1      ILE  70   0.890 -10.827  11.612
  552   3HD1  ILE  70          3HD1      ILE  70  -0.770 -11.074  11.069
  553    H    VAL  71           H        VAL  71   4.571  -9.527   7.046
  554    HA   VAL  71           HA       VAL  71   3.483  -6.877   6.435
  555    HB   VAL  71           HB       VAL  71   6.231  -8.079   5.986
  556   1HG1  VAL  71          1HG1      VAL  71   5.967  -6.103   4.616
  557   2HG1  VAL  71          2HG1      VAL  71   5.333  -5.169   5.997
  558   3HG1  VAL  71          3HG1      VAL  71   7.027  -5.711   5.967
  559   1HG2  VAL  71          1HG2      VAL  71   5.103  -6.516   8.322
  560   2HG2  VAL  71          2HG2      VAL  71   5.789  -8.156   8.355
  561   3HG2  VAL  71          3HG2      VAL  71   6.852  -6.774   8.074
  562    H    ASP  72           H        ASP  72   5.215  -9.413   4.593
  563    HA   ASP  72           HA       ASP  72   4.993  -8.367   1.993
  564   1HB   ASP  72          2HB       ASP  72   6.398 -10.304   2.742
  565   2HB   ASP  72          3HB       ASP  72   4.940 -11.298   2.810
  566    H    GLU  73           H        GLU  73   2.649 -10.311   3.861
  567    HA   GLU  73           HA       GLU  73   0.630 -10.579   1.857
  568   1HB   GLU  73          2HB       GLU  73   0.348 -10.117   4.854
  569   2HB   GLU  73          3HB       GLU  73  -0.944 -10.645   3.771
  570   1HG   GLU  73          2HG       GLU  73   0.087 -12.787   3.443
  571   2HG   GLU  73          3HG       GLU  73   1.532 -12.284   4.336
  572    H    ALA  74           H        ALA  74   1.485  -7.761   3.951
  573    HA   ALA  74           HA       ALA  74  -1.005  -6.334   3.362
  574   1HB   ALA  74          1HB       ALA  74   0.505  -6.000   5.426
  575   2HB   ALA  74          2HB       ALA  74   1.624  -5.148   4.340
  576   3HB   ALA  74          3HB       ALA  74  -0.018  -4.529   4.573
  577    H    VAL  75           H        VAL  75   2.340  -6.346   2.118
  578    HA   VAL  75           HA       VAL  75   1.905  -4.188   0.250
  579    HB   VAL  75           HB       VAL  75   4.017  -6.289  -0.251
  580   1HG1  VAL  75          1HG1      VAL  75   3.566  -4.149  -1.668
  581   2HG1  VAL  75          2HG1      VAL  75   4.175  -3.268  -0.264
  582   3HG1  VAL  75          3HG1      VAL  75   5.236  -4.408  -1.100
  583   1HG2  VAL  75          1HG2      VAL  75   4.011  -4.263   2.027
  584   2HG2  VAL  75          2HG2      VAL  75   4.419  -5.994   2.077
  585   3HG2  VAL  75          3HG2      VAL  75   5.520  -4.874   1.297
  586    H    ASP  76           H        ASP  76   1.905  -7.773  -0.165
  587    HA   ASP  76           HA       ASP  76   1.011  -7.967  -2.820
  588   1HB   ASP  76          2HB       ASP  76   1.853  -9.812  -1.469
  589   2HB   ASP  76          3HB       ASP  76   0.484  -9.674  -0.361
  590    H    ALA  77           H        ALA  77  -1.004  -7.618   0.185
  591    HA   ALA  77           HA       ALA  77  -3.503  -7.570  -1.185
  592   1HB   ALA  77          1HB       ALA  77  -3.301  -7.896   1.235
  593   2HB   ALA  77          2HB       ALA  77  -2.692  -6.242   1.438
  594   3HB   ALA  77          3HB       ALA  77  -4.355  -6.515   0.879
  595    H    ALA  78           H        ALA  78  -1.256  -4.833  -0.373
  596    HA   ALA  78           HA       ALA  78  -2.886  -2.813  -1.577
  597   1HB   ALA  78          1HB       ALA  78  -1.042  -2.331  -0.059
  598   2HB   ALA  78          2HB       ALA  78   0.152  -2.882  -1.260
  599   3HB   ALA  78          3HB       ALA  78  -0.852  -1.458  -1.583
  600    H    TYR  79           H        TYR  79  -0.308  -4.893  -3.058
  601    HA   TYR  79           HA       TYR  79  -0.529  -3.737  -5.665
  602   1HB   TYR  79          2HB       TYR  79   0.268  -6.533  -4.747
  603   2HB   TYR  79          3HB       TYR  79   0.374  -5.996  -6.411
  604    HD1  TYR  79           HD1      TYR  79   2.332  -6.461  -3.538
  605    HD2  TYR  79           HD2      TYR  79   1.598  -3.587  -6.692
  606    HE1  TYR  79           HE1      TYR  79   4.645  -5.604  -3.315
  607    HE2  TYR  79           HE2      TYR  79   3.891  -2.663  -6.372
  608    HH   TYR  79           HH       TYR  79   6.149  -3.944  -3.934
  609    H    ARG  80           H        ARG  80  -2.313  -6.578  -4.275
  610    HA   ARG  80           HA       ARG  80  -3.901  -7.005  -6.657
  611   1HB   ARG  80          2HB       ARG  80  -4.389  -7.720  -3.730
  612   2HB   ARG  80          3HB       ARG  80  -5.424  -8.256  -5.067
  613   1HG   ARG  80          2HG       ARG  80  -3.535  -9.415  -6.132
  614   2HG   ARG  80          3HG       ARG  80  -2.439  -8.829  -4.876
  615   1HD   ARG  80          2HD       ARG  80  -4.039  -9.993  -3.197
  616   2HD   ARG  80          3HD       ARG  80  -4.684 -10.861  -4.596
  617    HE   ARG  80           HE       ARG  80  -2.068 -11.114  -3.270
  618   1HH1  ARG  80          1HH2      ARG  80  -3.749 -11.971  -6.230
  619   2HH1  ARG  80          2HH2      ARG  80  -2.434 -12.976  -6.796
  620   1HH2  ARG  80          1HH1      ARG  80  -0.359 -12.071  -4.172
  621   2HH2  ARG  80          2HH1      ARG  80  -0.541 -13.141  -5.554
  622    H    SER  81           H        SER  81  -4.500  -5.025  -3.724
  623    HA   SER  81           HA       SER  81  -7.084  -4.138  -4.573
  624   1HB   SER  81          2HB       SER  81  -6.166  -3.892  -2.245
  625   2HB   SER  81          3HB       SER  81  -5.139  -2.568  -2.855
  626    HG   SER  81           HG       SER  81  -7.284  -1.811  -3.782
  627    H    LEU  82           H        LEU  82  -3.793  -2.940  -5.437
  628    HA   LEU  82           HA       LEU  82  -4.764  -0.634  -6.840
  629   1HB   LEU  82          2HB       LEU  82  -2.409  -1.030  -6.087
  630   2HB   LEU  82          3HB       LEU  82  -2.232  -2.253  -7.328
  631    HG   LEU  82           HG       LEU  82  -2.586  -0.574  -9.101
  632   1HD1  LEU  82          1HD1      LEU  82  -4.021   1.076  -8.015
  633   2HD1  LEU  82          2HD1      LEU  82  -2.761   1.438  -6.810
  634   3HD1  LEU  82          3HD1      LEU  82  -2.527   1.860  -8.520
  635   1HD2  LEU  82          1HD2      LEU  82  -0.465   0.242  -7.068
  636   2HD2  LEU  82          2HD2      LEU  82  -0.313  -1.049  -8.278
  637   3HD2  LEU  82          3HD2      LEU  82  -0.468   0.635  -8.802
  638    H    GLU  83           H        GLU  83  -4.019  -4.010  -7.955
  639    HA   GLU  83           HA       GLU  83  -4.802  -3.606 -10.682
  640   1HB   GLU  83          2HB       GLU  83  -5.058  -6.067  -8.900
  641   2HB   GLU  83          3HB       GLU  83  -5.297  -6.067 -10.649
  642   1HG   GLU  83          2HG       GLU  83  -2.987  -5.436 -11.045
  643   2HG   GLU  83          3HG       GLU  83  -2.678  -5.256  -9.325
  644    H    SER  84           H        SER  84  -6.785  -4.546  -7.813
  645    HA   SER  84           HA       SER  84  -9.259  -4.608  -9.265
  646   1HB   SER  84          2HB       SER  84  -8.882  -5.699  -7.056
  647   2HB   SER  84          3HB       SER  84  -8.857  -4.093  -6.296
  648    HG   SER  84           HG       SER  84 -10.995  -3.969  -7.659
  649    H    PHE  85           H        PHE  85  -7.586  -1.898  -7.630
  650    HA   PHE  85           HA       PHE  85  -9.739   0.002  -7.839
  651   1HB   PHE  85          2HB       PHE  85  -7.885   0.251  -6.313
  652   2HB   PHE  85          3HB       PHE  85  -6.716   0.187  -7.613
  653    HD1  PHE  85           HD1      PHE  85  -6.803   2.114  -9.388
  654    HD2  PHE  85           HD2      PHE  85  -8.451   2.329  -5.416
  655    HE1  PHE  85           HE1      PHE  85  -6.439   4.578  -9.368
  656    HE2  PHE  85           HE2      PHE  85  -8.090   4.782  -5.393
  657    HZ   PHE  85           HZ       PHE  85  -7.077   5.911  -7.364
  658    H    LEU  86           H        LEU  86  -6.980  -0.818 -10.050
  659    HA   LEU  86           HA       LEU  86  -7.847   1.144 -12.029
  660   1HB   LEU  86          2HB       LEU  86  -5.998  -1.266 -12.223
  661   2HB   LEU  86          3HB       LEU  86  -6.239  -0.077 -13.505
  662    HG   LEU  86           HG       LEU  86  -5.172   0.611 -10.713
  663   1HD1  LEU  86          1HD1      LEU  86  -3.616  -0.839 -11.952
  664   2HD1  LEU  86          2HD1      LEU  86  -3.652   0.295 -13.327
  665   3HD1  LEU  86          3HD1      LEU  86  -2.984   0.802 -11.759
  666   1HD2  LEU  86          1HD2      LEU  86  -5.343   2.247 -13.275
  667   2HD2  LEU  86          2HD2      LEU  86  -6.242   2.529 -11.765
  668   3HD2  LEU  86          3HD2      LEU  86  -4.491   2.738 -11.791
  669    H    ASP  87           H        ASP  87  -8.423  -2.387 -11.646
  670    HA   ASP  87           HA       ASP  87 -10.019  -2.741 -13.980
  671   1HB   ASP  87          2HB       ASP  87  -9.239  -4.538 -12.457
  672   2HB   ASP  87          3HB       ASP  87 -10.313  -3.932 -11.192
  673    H    GLY  88           H        GLY  88 -10.676  -1.159 -10.851
  674   1HA   GLY  88          2HA       GLY  88 -13.536  -0.922 -11.162
  675   2HA   GLY  88          3HA       GLY  88 -12.499  -0.033 -10.034
  676    H    PHE  89           H        PHE  89 -10.980   0.752 -12.732
  677    HA   PHE  89           HA       PHE  89 -12.802   3.009 -13.456
  678   1HB   PHE  89          2HB       PHE  89  -9.842   3.082 -12.839
  679   2HB   PHE  89          3HB       PHE  89 -10.798   4.463 -13.381
  680    HD1  PHE  89           HD1      PHE  89 -13.268   4.253 -11.692
  681    HD2  PHE  89           HD2      PHE  89  -9.102   3.732 -10.670
  682    HE1  PHE  89           HE1      PHE  89 -13.761   4.909  -9.375
  683    HE2  PHE  89           HE2      PHE  89  -9.633   4.358  -8.334
  684    HZ   PHE  89           HZ       PHE  89 -11.941   4.957  -7.677
  685    H    ARG  90           H        ARG  90 -11.215   0.435 -14.784
  686    HA   ARG  90           HA       ARG  90 -11.332   1.702 -17.497
  687   1HB   ARG  90          2HB       ARG  90  -9.063  -0.039 -16.453
  688   2HB   ARG  90          3HB       ARG  90  -9.318   0.383 -18.147
  689   1HG   ARG  90          2HG       ARG  90  -9.108   2.814 -17.545
  690   2HG   ARG  90          3HG       ARG  90  -8.664   2.329 -15.896
  691   1HD   ARG  90          2HD       ARG  90  -7.210   1.493 -18.446
  692   2HD   ARG  90          3HD       ARG  90  -6.687   2.785 -17.358
  693    HE   ARG  90           HE       ARG  90  -7.064   0.305 -15.933
  694   1HH1  ARG  90          1HH2      ARG  90  -4.767   1.882 -18.054
  695   2HH1  ARG  90          2HH2      ARG  90  -3.420   0.916 -17.514
  696   1HH2  ARG  90          1HH1      ARG  90  -5.317  -0.967 -15.311
  697   2HH2  ARG  90          2HH1      ARG  90  -3.737  -0.664 -15.966
  698    H    GLU  91           H        GLU  91 -11.121  -1.326 -15.647
  699    HA   GLU  91           HA       GLU  91 -11.709  -3.474 -16.115
  700   1HB   GLU  91          2HB       GLU  91 -13.987  -2.272 -16.324
  701   2HB   GLU  91          3HB       GLU  91 -13.810  -2.492 -18.064
  702   1HG   GLU  91          2HG       GLU  91 -13.589  -4.989 -17.634
  703   2HG   GLU  91          3HG       GLU  91 -13.897  -4.670 -15.929
  Start of MODEL   18
    1    H    MET   1           H1       MET   1 -15.876   3.960 -13.192
    2    HA   MET   1           HA       MET   1 -14.646   3.039 -11.394
    3   1HB   MET   1          2HB       MET   1 -12.263   3.318 -13.273
    4   2HB   MET   1          3HB       MET   1 -12.161   2.939 -11.549
    5   1HG   MET   1          2HG       MET   1 -11.919   0.910 -12.765
    6   2HG   MET   1          3HG       MET   1 -13.468   0.863 -11.928
    7   1HE   MET   1          1HE       MET   1 -12.380  -1.048 -14.275
    8   2HE   MET   1          2HE       MET   1 -13.953  -1.333 -13.513
    9   3HE   MET   1          3HE       MET   1 -13.818  -1.267 -15.286
   10    H    SER   2           H        SER   2 -13.732   4.459  -9.796
   11    HA   SER   2           HA       SER   2 -14.291   7.215 -10.182
   12   1HB   SER   2          2HB       SER   2 -12.849   5.847  -7.878
   13   2HB   SER   2          3HB       SER   2 -13.696   7.408  -7.840
   14    HG   SER   2           HG       SER   2 -15.003   5.723  -7.042
   15    H    LEU   3           H        LEU   3 -12.538   7.127 -12.121
   16    HA   LEU   3           HA       LEU   3  -9.848   7.874 -11.088
   17   1HB   LEU   3          2HB       LEU   3 -10.667   6.601 -13.722
   18   2HB   LEU   3          3HB       LEU   3  -9.015   6.954 -13.223
   19    HG   LEU   3           HG       LEU   3 -10.892   4.980 -11.839
   20   1HD1  LEU   3          1HD1      LEU   3 -10.157   4.240 -14.046
   21   2HD1  LEU   3          2HD1      LEU   3  -8.467   4.525 -13.603
   22   3HD1  LEU   3          3HD1      LEU   3  -9.399   3.268 -12.767
   23   1HD2  LEU   3          1HD2      LEU   3  -7.973   5.642 -11.316
   24   2HD2  LEU   3          2HD2      LEU   3  -9.327   5.869 -10.190
   25   3HD2  LEU   3          3HD2      LEU   3  -8.830   4.238 -10.650
   26    H    ARG   4           H        ARG   4  -8.565   9.365 -12.275
   27    HA   ARG   4           HA       ARG   4  -9.942  11.430 -13.866
   28   1HB   ARG   4          2HB       ARG   4 -10.405  11.661 -11.358
   29   2HB   ARG   4          3HB       ARG   4  -8.689  11.943 -11.132
   30   1HG   ARG   4          2HG       ARG   4  -8.858  14.048 -12.429
   31   2HG   ARG   4          3HG       ARG   4 -10.526  13.638 -12.879
   32   1HD   ARG   4          2HD       ARG   4 -10.732  15.200 -11.136
   33   2HD   ARG   4          3HD       ARG   4 -11.068  13.627 -10.384
   34    HE   ARG   4           HE       ARG   4  -8.359  13.937  -9.933
   35   1HH1  ARG   4          1HH2      ARG   4 -11.206  15.727  -8.957
   36   2HH1  ARG   4          2HH2      ARG   4 -10.362  16.540  -7.660
   37   1HH2  ARG   4          1HH1      ARG   4  -7.273  15.153  -8.460
   38   2HH2  ARG   4          2HH1      ARG   4  -8.167  16.156  -7.330
   39    H    LYS   5           H        LYS   5  -8.239  13.312 -14.180
   40    HA   LYS   5           HA       LYS   5  -5.853  12.281 -15.442
   41   1HB   LYS   5          2HB       LYS   5  -6.828  15.082 -14.738
   42   2HB   LYS   5          3HB       LYS   5  -5.197  14.797 -15.314
   43   1HG   LYS   5          2HG       LYS   5  -6.387  15.403 -17.225
   44   2HG   LYS   5          3HG       LYS   5  -6.085  13.679 -17.356
   45   1HD   LYS   5          2HD       LYS   5  -8.287  14.160 -18.167
   46   2HD   LYS   5          3HD       LYS   5  -8.465  13.244 -16.668
   47   1HE   LYS   5          2HE       LYS   5  -8.939  15.335 -15.428
   48   2HE   LYS   5          3HE       LYS   5  -8.607  16.290 -16.878
   49   1HZ   LYS   5          1HZ       LYS   5 -10.495  15.243 -17.948
   50   2HZ   LYS   5          2HZ       LYS   5 -10.815  14.331 -16.621
   51   3HZ   LYS   5          3HZ       LYS   5 -10.980  15.967 -16.556
   52    H    LEU   6           H        LEU   6  -4.127  11.495 -14.423
   53    HA   LEU   6           HA       LEU   6  -3.709  11.919 -11.612
   54   1HB   LEU   6          2HB       LEU   6  -1.964  10.570 -13.705
   55   2HB   LEU   6          3HB       LEU   6  -1.693  10.524 -11.966
   56    HG   LEU   6           HG       LEU   6  -4.067   9.312 -13.446
   57   1HD1  LEU   6          1HD1      LEU   6  -1.922   8.075 -13.608
   58   2HD1  LEU   6          2HD1      LEU   6  -1.815   8.043 -11.833
   59   3HD1  LEU   6          3HD1      LEU   6  -3.132   7.192 -12.666
   60   1HD2  LEU   6          1HD2      LEU   6  -3.507   9.474 -10.453
   61   2HD2  LEU   6          2HD2      LEU   6  -4.930  10.097 -11.331
   62   3HD2  LEU   6          3HD2      LEU   6  -4.674   8.365 -11.203
   63    H    THR   7           H        THR   7  -2.477  13.372 -10.559
   64    HA   THR   7           HA       THR   7  -0.250  14.797 -11.759
   65    HB   THR   7           HB       THR   7  -2.278  15.968 -12.647
   66    HG1  THR   7           1HG      THR   7  -0.254  17.013 -12.232
   67   1HG2  THR   7          1HG2      THR   7  -3.822  15.711 -10.728
   68   2HG2  THR   7          2HG2      THR   7  -2.808  16.815  -9.771
   69   3HG2  THR   7          3HG2      THR   7  -3.627  17.397 -11.228
   70    H    GLU   8           H        GLU   8  -0.047  16.813 -10.017
   71    HA   GLU   8           HA       GLU   8   1.024  15.660  -7.652
   72   1HB   GLU   8          2HB       GLU   8   0.607  18.628  -7.949
   73   2HB   GLU   8          3HB       GLU   8   1.973  17.742  -7.285
   74   1HG   GLU   8          2HG       GLU   8   1.269  18.383 -10.149
   75   2HG   GLU   8          3HG       GLU   8   2.744  18.753  -9.275
   76    H    GLY   9           H        GLY   9  -1.653  15.071  -7.677
   77   1HA   GLY   9          2HA       GLY   9  -2.328  15.651  -4.939
   78   2HA   GLY   9          3HA       GLY   9  -3.545  16.292  -6.080
   79    H    ASP  10           H        ASP  10  -3.732  14.452  -8.042
   80    HA   ASP  10           HA       ASP  10  -5.048  12.191  -6.971
   81   1HB   ASP  10          2HB       ASP  10  -3.950  12.807  -9.727
   82   2HB   ASP  10          3HB       ASP  10  -5.051  11.472  -9.374
   83    H    LEU  11           H        LEU  11  -1.638  12.509  -8.129
   84    HA   LEU  11           HA       LEU  11  -1.067   9.650  -7.913
   85   1HB   LEU  11          2HB       LEU  11   0.688  12.145  -7.898
   86   2HB   LEU  11          3HB       LEU  11   1.330  10.509  -7.867
   87    HG   LEU  11           HG       LEU  11  -0.448  11.564 -10.114
   88   1HD1  LEU  11          1HD1      LEU  11   1.671  12.822 -10.013
   89   2HD1  LEU  11          2HD1      LEU  11   2.585  11.298 -10.012
   90   3HD1  LEU  11          3HD1      LEU  11   1.616  11.763 -11.430
   91   1HD2  LEU  11          1HD2      LEU  11   1.315   9.083  -9.892
   92   2HD2  LEU  11          2HD2      LEU  11  -0.460   9.106  -9.967
   93   3HD2  LEU  11          3HD2      LEU  11   0.491   9.617 -11.367
   94    H    ASP  12           H        ASP  12  -0.594  12.486  -5.741
   95    HA   ASP  12           HA       ASP  12   0.311  11.113  -3.476
   96   1HB   ASP  12          2HB       ASP  12  -1.494  13.564  -3.512
   97   2HB   ASP  12          3HB       ASP  12  -0.342  13.096  -2.270
   98    H    GLU  13           H        GLU  13  -3.099  11.750  -4.510
   99    HA   GLU  13           HA       GLU  13  -4.389  10.428  -2.367
  100   1HB   GLU  13          2HB       GLU  13  -5.468  11.854  -4.083
  101   2HB   GLU  13          3HB       GLU  13  -5.298  10.574  -5.273
  102   1HG   GLU  13          2HG       GLU  13  -6.821  10.303  -2.644
  103   2HG   GLU  13          3HG       GLU  13  -7.561  10.845  -4.143
  104    H    ILE  14           H        ILE  14  -3.187   8.983  -5.480
  105    HA   ILE  14           HA       ILE  14  -3.973   6.327  -4.784
  106    HB   ILE  14           HB       ILE  14  -1.839   7.411  -6.636
  107   1HG1  ILE  14          2HG1      ILE  14  -4.477   5.965  -7.148
  108   2HG1  ILE  14          3HG1      ILE  14  -4.317   7.714  -7.127
  109   1HG2  ILE  14          1HG2      ILE  14  -1.016   5.190  -5.953
  110   2HG2  ILE  14          2HG2      ILE  14  -2.617   4.478  -6.259
  111   3HG2  ILE  14          3HG2      ILE  14  -1.620   5.102  -7.591
  112   1HD1  ILE  14          1HD1      ILE  14  -2.678   7.563  -9.025
  113   2HD1  ILE  14          2HD1      ILE  14  -3.046   5.821  -9.139
  114   3HD1  ILE  14          3HD1      ILE  14  -4.323   7.009  -9.402
  115    H    SER  15           H        SER  15  -0.756   7.949  -4.240
  116    HA   SER  15           HA       SER  15   0.328   5.698  -2.815
  117   1HB   SER  15          2HB       SER  15   1.083   8.560  -3.136
  118   2HB   SER  15          3HB       SER  15   1.660   7.755  -1.659
  119    HG   SER  15           HG       SER  15   3.175   7.113  -3.048
  120    H    SER  16           H        SER  16  -1.610   8.485  -1.600
  121    HA   SER  16           HA       SER  16  -1.598   7.729   1.151
  122   1HB   SER  16          2HB       SER  16  -2.363   9.913   0.250
  123   2HB   SER  16          3HB       SER  16  -3.801   9.117  -0.423
  124    HG   SER  16           HG       SER  16  -4.237  10.001   1.615
  125    H    PHE  17           H        PHE  17  -3.868   6.772  -1.496
  126    HA   PHE  17           HA       PHE  17  -5.559   5.101   0.068
  127   1HB   PHE  17          2HB       PHE  17  -6.251   5.865  -2.087
  128   2HB   PHE  17          3HB       PHE  17  -4.821   5.224  -2.869
  129    HD1  PHE  17           HD1      PHE  17  -4.948   3.187  -4.008
  130    HD2  PHE  17           HD2      PHE  17  -7.777   4.030  -0.864
  131    HE1  PHE  17           HE1      PHE  17  -6.146   1.071  -4.518
  132    HE2  PHE  17           HE2      PHE  17  -8.966   1.910  -1.371
  133    HZ   PHE  17           HZ       PHE  17  -8.161   0.436  -3.196
  134    H    LEU  18           H        LEU  18  -2.538   4.305  -1.734
  135    HA   LEU  18           HA       LEU  18  -2.525   1.516  -1.015
  136   1HB   LEU  18          2HB       LEU  18  -0.316   3.473  -1.765
  137   2HB   LEU  18          3HB       LEU  18  -0.038   1.747  -1.538
  138    HG   LEU  18           HG       LEU  18  -2.026   2.848  -3.575
  139   1HD1  LEU  18          1HD1      LEU  18   0.862   1.963  -3.986
  140   2HD1  LEU  18          2HD1      LEU  18  -0.296   2.419  -5.260
  141   3HD1  LEU  18          3HD1      LEU  18   0.255   3.629  -4.098
  142   1HD2  LEU  18          1HD2      LEU  18  -1.797   0.619  -4.566
  143   2HD2  LEU  18          2HD2      LEU  18  -0.753   0.104  -3.234
  144   3HD2  LEU  18          3HD2      LEU  18  -2.459   0.515  -2.943
  145    H    HIS  19           H        HIS  19  -0.927   4.349   0.557
  146    HA   HIS  19           HA       HIS  19   0.229   2.903   2.707
  147   1HB   HIS  19          2HB       HIS  19   0.777   5.219   2.034
  148   2HB   HIS  19          3HB       HIS  19  -0.793   5.770   2.606
  149    HD1  HIS  19           HD1      HIS  19   0.990   7.398   4.076
  150    HD2  HIS  19           HD2      HIS  19   0.659   3.347   5.111
  151    HE1  HIS  19           HE1      HIS  19   1.952   7.158   6.436
  152    H    ASN  20           H        ASN  20  -2.999   4.535   2.543
  153    HA   ASN  20           HA       ASN  20  -3.935   3.689   5.092
  154   1HB   ASN  20          2HB       ASN  20  -5.063   5.444   3.871
  155   2HB   ASN  20          3HB       ASN  20  -5.349   4.383   2.485
  156   1HD2  ASN  20          2HD2      ASN  20  -5.987   4.234   6.060
  157   2HD2  ASN  20          1HD2      ASN  20  -7.492   3.412   5.854
  158    H    THR  21           H        THR  21  -4.141   2.032   1.890
  159    HA   THR  21           HA       THR  21  -5.730  -0.147   2.748
  160    HB   THR  21           HB       THR  21  -3.568  -0.101   0.596
  161    HG1  THR  21           1HG      THR  21  -5.159   1.407   0.196
  162   1HG2  THR  21          1HG2      THR  21  -4.150  -2.429   1.048
  163   2HG2  THR  21          2HG2      THR  21  -5.886  -2.027   1.044
  164   3HG2  THR  21          3HG2      THR  21  -4.936  -1.911  -0.452
  165    H    ILE  22           H        ILE  22  -2.126   0.161   2.771
  166    HA   ILE  22           HA       ILE  22  -1.758  -2.440   4.001
  167    HB   ILE  22           HB       ILE  22   0.109  -0.058   3.937
  168   1HG1  ILE  22          2HG1      ILE  22   0.049  -2.491   2.103
  169   2HG1  ILE  22          3HG1      ILE  22  -0.557  -0.892   1.674
  170   1HG2  ILE  22          1HG2      ILE  22   1.327  -1.302   5.400
  171   2HG2  ILE  22          2HG2      ILE  22   0.335  -2.727   5.184
  172   3HG2  ILE  22          3HG2      ILE  22   1.663  -2.425   4.069
  173   1HD1  ILE  22          1HD1      ILE  22   1.878  -0.096   2.434
  174   2HD1  ILE  22          2HD1      ILE  22   2.259  -1.783   2.032
  175   3HD1  ILE  22          3HD1      ILE  22   1.524  -0.720   0.799
  176    H    SER  23           H        SER  23  -1.869   0.916   5.392
  177    HA   SER  23           HA       SER  23  -1.416   0.314   8.113
  178   1HB   SER  23          2HB       SER  23  -1.742   2.584   7.771
  179   2HB   SER  23          3HB       SER  23  -2.977   2.343   6.545
  180    HG   SER  23           HG       SER  23  -4.604   2.202   8.075
  181    H    ASP  24           H        ASP  24  -4.530   0.378   6.389
  182    HA   ASP  24           HA       ASP  24  -5.990  -0.566   8.616
  183   1HB   ASP  24          2HB       ASP  24  -6.787  -0.250   5.721
  184   2HB   ASP  24          3HB       ASP  24  -7.887  -0.539   7.072
  185    H    PHE  25           H        PHE  25  -4.644  -2.333   5.801
  186    HA   PHE  25           HA       PHE  25  -5.695  -4.903   6.510
  187   1HB   PHE  25          2HB       PHE  25  -4.544  -4.467   4.383
  188   2HB   PHE  25          3HB       PHE  25  -3.045  -4.103   5.226
  189    HD1  PHE  25           HD1      PHE  25  -1.812  -5.937   6.472
  190    HD2  PHE  25           HD2      PHE  25  -5.113  -6.742   3.818
  191    HE1  PHE  25           HE1      PHE  25  -1.262  -8.352   6.517
  192    HE2  PHE  25           HE2      PHE  25  -4.585  -9.165   3.911
  193    HZ   PHE  25           HZ       PHE  25  -2.715  -9.976   5.331
  194    H    ILE  26           H        ILE  26  -2.673  -3.188   7.654
  195    HA   ILE  26           HA       ILE  26  -1.811  -5.330   9.310
  196    HB   ILE  26           HB       ILE  26  -1.224  -2.369   9.089
  197   1HG1  ILE  26          2HG1      ILE  26   0.511  -4.854   8.706
  198   2HG1  ILE  26          3HG1      ILE  26  -0.406  -4.098   7.411
  199   1HG2  ILE  26          1HG2      ILE  26  -1.017  -2.770  11.450
  200   2HG2  ILE  26          2HG2      ILE  26  -0.080  -4.257  11.171
  201   3HG2  ILE  26          3HG2      ILE  26   0.588  -2.653  10.758
  202   1HD1  ILE  26          1HD1      ILE  26   0.864  -1.967   7.773
  203   2HD1  ILE  26          2HD1      ILE  26   1.906  -2.837   8.919
  204   3HD1  ILE  26          3HD1      ILE  26   1.851  -3.341   7.230
  205    H    LEU  27           H        LEU  27  -3.725  -2.381  10.142
  206    HA   LEU  27           HA       LEU  27  -4.243  -3.155  12.846
  207   1HB   LEU  27          2HB       LEU  27  -5.396  -1.195  10.869
  208   2HB   LEU  27          3HB       LEU  27  -6.382  -1.585  12.254
  209    HG   LEU  27           HG       LEU  27  -5.101   0.447  12.597
  210   1HD1  LEU  27          1HD1      LEU  27  -5.757  -0.980  14.530
  211   2HD1  LEU  27          2HD1      LEU  27  -4.143  -1.726  14.501
  212   3HD1  LEU  27          3HD1      LEU  27  -4.316   0.008  14.831
  213   1HD2  LEU  27          1HD2      LEU  27  -2.585  -1.267  12.578
  214   2HD2  LEU  27          2HD2      LEU  27  -3.042  -0.063  11.350
  215   3HD2  LEU  27          3HD2      LEU  27  -2.695   0.452  13.003
  216    H    LYS  28           H        LYS  28  -5.495  -4.595  10.007
  217    HA   LYS  28           HA       LYS  28  -7.623  -5.988  11.587
  218   1HB   LYS  28          2HB       LYS  28  -7.276  -5.393   8.634
  219   2HB   LYS  28          3HB       LYS  28  -8.411  -6.618   9.203
  220   1HG   LYS  28          2HG       LYS  28  -9.789  -5.101  10.311
  221   2HG   LYS  28          3HG       LYS  28  -8.547  -3.860  10.437
  222   1HD   LYS  28          2HD       LYS  28 -10.384  -3.318   8.836
  223   2HD   LYS  28          3HD       LYS  28  -8.758  -3.210   8.179
  224   1HE   LYS  28          2HE       LYS  28  -9.056  -5.511   7.187
  225   2HE   LYS  28          3HE       LYS  28 -10.748  -5.461   7.711
  226   1HZ   LYS  28          1HZ       LYS  28 -11.015  -3.458   6.354
  227   2HZ   LYS  28          2HZ       LYS  28  -9.442  -3.520   5.890
  228   3HZ   LYS  28          3HZ       LYS  28 -10.481  -4.704   5.417
  229    H    ARG  29           H        ARG  29  -4.465  -6.475  10.801
  230    HA   ARG  29           HA       ARG  29  -4.817  -9.455  10.835
  231   1HB   ARG  29          2HB       ARG  29  -3.764  -8.051   8.787
  232   2HB   ARG  29          3HB       ARG  29  -2.311  -8.183   9.758
  233   1HG   ARG  29          2HG       ARG  29  -4.018 -10.403   8.540
  234   2HG   ARG  29          3HG       ARG  29  -2.390  -9.904   8.074
  235   1HD   ARG  29          2HD       ARG  29  -1.694 -10.572  10.463
  236   2HD   ARG  29          3HD       ARG  29  -3.258 -11.408  10.544
  237    HE   ARG  29           HE       ARG  29  -1.707 -12.120   8.157
  238   1HH1  ARG  29          1HH2      ARG  29  -1.926 -12.796  11.650
  239   2HH1  ARG  29          2HH2      ARG  29  -0.875 -14.231  11.442
  240   1HH2  ARG  29          1HH1      ARG  29  -0.341 -13.970   8.151
  241   2HH2  ARG  29          2HH1      ARG  29  -0.157 -14.838   9.721
  242    H    VAL  30           H        VAL  30  -3.211  -6.719  12.402
  243    HA   VAL  30           HA       VAL  30  -2.249  -8.498  14.585
  244    HB   VAL  30           HB       VAL  30  -0.548  -6.332  13.277
  245   1HG1  VAL  30          1HG1      VAL  30   0.029  -6.612  15.639
  246   2HG1  VAL  30          2HG1      VAL  30   0.075  -8.381  15.460
  247   3HG1  VAL  30          3HG1      VAL  30   1.288  -7.358  14.670
  248   1HG2  VAL  30          1HG2      VAL  30  -0.252  -9.353  13.070
  249   2HG2  VAL  30          2HG2      VAL  30  -0.595  -8.221  11.738
  250   3HG2  VAL  30          3HG2      VAL  30   0.968  -8.169  12.544
  251    H    SER  31           H        SER  31  -1.963  -7.277  16.659
  252    HA   SER  31           HA       SER  31  -3.890  -5.037  16.779
  253   1HB   SER  31          2HB       SER  31  -4.169  -6.936  18.320
  254   2HB   SER  31          3HB       SER  31  -2.578  -6.592  19.032
  255    HG   SER  31           HG       SER  31  -4.466  -5.625  20.080
  256    H    ALA  32           H        ALA  32  -3.364  -2.999  17.189
  257    HA   ALA  32           HA       ALA  32  -0.858  -1.820  17.323
  258   1HB   ALA  32          1HB       ALA  32  -2.971  -0.611  16.994
  259   2HB   ALA  32          2HB       ALA  32  -3.439  -0.943  18.681
  260   3HB   ALA  32          3HB       ALA  32  -2.037   0.091  18.328
  261    H    LYS  33           H        LYS  33  -2.463  -3.646  19.862
  262    HA   LYS  33           HA       LYS  33  -1.011  -2.914  22.191
  263   1HB   LYS  33          2HB       LYS  33  -2.936  -4.506  22.020
  264   2HB   LYS  33          3HB       LYS  33  -1.890  -5.667  21.210
  265   1HG   LYS  33          2HG       LYS  33  -0.720  -4.827  23.777
  266   2HG   LYS  33          3HG       LYS  33  -2.387  -5.337  23.979
  267   1HD   LYS  33          2HD       LYS  33  -1.293  -7.330  24.315
  268   2HD   LYS  33          3HD       LYS  33  -1.702  -7.447  22.602
  269   1HE   LYS  33          2HE       LYS  33   0.707  -6.367  22.279
  270   2HE   LYS  33          3HE       LYS  33   0.983  -6.919  23.932
  271   1HZ   LYS  33          1HZ       LYS  33   0.287  -9.173  23.066
  272   2HZ   LYS  33          2HZ       LYS  33   0.217  -8.484  21.550
  273   3HZ   LYS  33          3HZ       LYS  33   1.663  -8.605  22.337
  274    H    GLU  34           H        GLU  34   0.104  -4.767  19.354
  275    HA   GLU  34           HA       GLU  34   2.777  -5.051  20.692
  276   1HB   GLU  34          2HB       GLU  34   3.140  -7.050  19.370
  277   2HB   GLU  34          3HB       GLU  34   1.888  -7.242  20.553
  278   1HG   GLU  34          2HG       GLU  34   1.101  -6.495  17.741
  279   2HG   GLU  34          3HG       GLU  34   1.742  -8.111  18.008
  280    H    ILE  35           H        ILE  35   1.164  -3.753  17.910
  281    HA   ILE  35           HA       ILE  35   3.584  -3.462  16.289
  282    HB   ILE  35           HB       ILE  35   0.996  -1.859  16.299
  283   1HG1  ILE  35          2HG1      ILE  35   0.536  -4.213  15.743
  284   2HG1  ILE  35          3HG1      ILE  35   0.262  -3.139  14.387
  285   1HG2  ILE  35          1HG2      ILE  35   2.701  -0.541  15.232
  286   2HG2  ILE  35          2HG2      ILE  35   3.252  -1.919  14.253
  287   3HG2  ILE  35          3HG2      ILE  35   1.645  -1.207  13.983
  288   1HD1  ILE  35          1HD1      ILE  35   2.463  -3.817  13.437
  289   2HD1  ILE  35          2HD1      ILE  35   2.676  -4.961  14.781
  290   3HD1  ILE  35          3HD1      ILE  35   1.348  -5.163  13.620
  291    H    VAL  36           H        VAL  36   5.294  -2.469  17.220
  292    HA   VAL  36           HA       VAL  36   5.055  -0.213  19.098
  293    HB   VAL  36           HB       VAL  36   7.369  -1.556  17.644
  294   1HG1  VAL  36          1HG1      VAL  36   8.005   0.768  17.653
  295   2HG1  VAL  36          2HG1      VAL  36   7.514   0.951  19.356
  296   3HG1  VAL  36          3HG1      VAL  36   8.906  -0.071  18.919
  297   1HG2  VAL  36          1HG2      VAL  36   6.749  -1.164  20.606
  298   2HG2  VAL  36          2HG2      VAL  36   6.378  -2.626  19.676
  299   3HG2  VAL  36          3HG2      VAL  36   8.066  -2.135  19.908
  300    H    ASP  37           H        ASP  37   5.993  -0.675  15.655
  301    HA   ASP  37           HA       ASP  37   4.530   1.689  14.943
  302   1HB   ASP  37          2HB       ASP  37   7.008   2.406  15.817
  303   2HB   ASP  37          3HB       ASP  37   7.412   2.037  14.149
  304    H    ILE  38           H        ILE  38   5.064   2.299  12.555
  305    HA   ILE  38           HA       ILE  38   5.949   0.009  10.925
  306    HB   ILE  38           HB       ILE  38   4.094   0.419   9.263
  307   1HG1  ILE  38          2HG1      ILE  38   1.858   1.007  10.167
  308   2HG1  ILE  38          3HG1      ILE  38   2.595   1.648  11.627
  309   1HG2  ILE  38          1HG2      ILE  38   4.274  -1.581  10.658
  310   2HG2  ILE  38          2HG2      ILE  38   3.308  -0.806  11.929
  311   3HG2  ILE  38          3HG2      ILE  38   2.591  -1.157  10.342
  312   1HD1  ILE  38          1HD1      ILE  38   3.459   3.530  10.449
  313   2HD1  ILE  38          2HD1      ILE  38   3.257   2.735   8.859
  314   3HD1  ILE  38          3HD1      ILE  38   1.846   3.280   9.787
  315    H    ASP  39           H        ASP  39   6.937   0.524   9.016
  316    HA   ASP  39           HA       ASP  39   7.107   3.441   8.296
  317   1HB   ASP  39          2HB       ASP  39   9.267   1.322   7.967
  318   2HB   ASP  39          3HB       ASP  39   9.172   2.758   6.971
  319    H    ILE  40           H        ILE  40   6.179   3.809   6.336
  320    HA   ILE  40           HA       ILE  40   5.939   1.565   4.418
  321    HB   ILE  40           HB       ILE  40   3.652   3.355   5.305
  322   1HG1  ILE  40          2HG1      ILE  40   3.709   0.333   4.972
  323   2HG1  ILE  40          3HG1      ILE  40   4.203   1.087   6.492
  324   1HG2  ILE  40          1HG2      ILE  40   3.613   3.300   2.846
  325   2HG2  ILE  40          2HG2      ILE  40   3.861   1.535   2.852
  326   3HG2  ILE  40          3HG2      ILE  40   2.346   2.239   3.448
  327   1HD1  ILE  40          1HD1      ILE  40   1.960   2.121   6.696
  328   2HD1  ILE  40          2HD1      ILE  40   1.458   1.174   5.264
  329   3HD1  ILE  40          3HD1      ILE  40   1.993   0.350   6.744
  330    H    THR  41           H        THR  41   6.801   2.116   2.548
  331    HA   THR  41           HA       THR  41   6.676   4.984   1.742
  332    HB   THR  41           HB       THR  41   8.995   4.392   2.381
  333    HG1  THR  41           1HG      THR  41   8.890   6.067   1.122
  334   1HG2  THR  41          1HG2      THR  41   9.128   2.103   1.401
  335   2HG2  THR  41          2HG2      THR  41   9.089   2.828  -0.225
  336   3HG2  THR  41          3HG2      THR  41  10.427   3.190   0.881
  337    H    VAL  42           H        VAL  42   5.433   5.280   0.126
  338    HA   VAL  42           HA       VAL  42   5.001   3.160  -1.928
  339    HB   VAL  42           HB       VAL  42   2.786   4.503  -2.172
  340   1HG1  VAL  42          1HG1      VAL  42   2.805   2.212  -1.392
  341   2HG1  VAL  42          2HG1      VAL  42   3.296   2.716   0.239
  342   3HG1  VAL  42          3HG1      VAL  42   1.689   3.141  -0.380
  343   1HG2  VAL  42          1HG2      VAL  42   3.325   5.209   0.756
  344   2HG2  VAL  42          2HG2      VAL  42   3.389   6.384  -0.578
  345   3HG2  VAL  42          3HG2      VAL  42   1.888   5.557  -0.186
  346    H    LEU  43           H        LEU  43   5.926   3.650  -3.731
  347    HA   LEU  43           HA       LEU  43   6.504   6.496  -4.443
  348   1HB   LEU  43          2HB       LEU  43   8.046   3.951  -5.058
  349   2HB   LEU  43          3HB       LEU  43   8.505   5.570  -5.578
  350    HG   LEU  43           HG       LEU  43   8.310   4.666  -2.672
  351   1HD1  LEU  43          1HD1      LEU  43  10.132   3.524  -3.878
  352   2HD1  LEU  43          2HD1      LEU  43  10.762   5.093  -4.428
  353   3HD1  LEU  43          3HD1      LEU  43  10.765   4.680  -2.697
  354   1HD2  LEU  43          1HD2      LEU  43   9.441   7.224  -3.885
  355   2HD2  LEU  43          2HD2      LEU  43   7.986   7.090  -2.863
  356   3HD2  LEU  43          3HD2      LEU  43   9.573   6.736  -2.179
  357    H    VAL  44           H        VAL  44   6.071   7.192  -6.468
  358    HA   VAL  44           HA       VAL  44   5.090   5.288  -8.494
  359    HB   VAL  44           HB       VAL  44   3.090   5.913  -7.295
  360   1HG1  VAL  44          1HG1      VAL  44   2.165   8.170  -7.267
  361   2HG1  VAL  44          2HG1      VAL  44   3.685   8.115  -6.382
  362   3HG1  VAL  44          3HG1      VAL  44   3.643   8.818  -8.017
  363   1HG2  VAL  44          1HG2      VAL  44   3.148   7.262 -10.019
  364   2HG2  VAL  44          2HG2      VAL  44   2.996   5.513  -9.733
  365   3HG2  VAL  44          3HG2      VAL  44   1.732   6.617  -9.165
  366    H    GLU  45           H        GLU  45   5.596   5.790 -10.527
  367    HA   GLU  45           HA       GLU  45   6.818   8.402 -11.244
  368   1HB   GLU  45          2HB       GLU  45   8.517   6.688 -10.231
  369   2HB   GLU  45          3HB       GLU  45   8.196   5.724 -11.670
  370   1HG   GLU  45          2HG       GLU  45   8.867   7.959 -12.956
  371   2HG   GLU  45          3HG       GLU  45   9.569   8.412 -11.412
  372    H    TYR  46           H        TYR  46   7.121   8.516 -13.686
  373    HA   TYR  46           HA       TYR  46   5.855   6.330 -15.210
  374   1HB   TYR  46          2HB       TYR  46   4.130   8.125 -14.554
  375   2HB   TYR  46          3HB       TYR  46   4.948   9.180 -15.688
  376    HD1  TYR  46           HD1      TYR  46   2.100   7.576 -15.385
  377    HD2  TYR  46           HD2      TYR  46   5.481   7.389 -18.065
  378    HE1  TYR  46           HE1      TYR  46   0.667   6.547 -17.108
  379    HE2  TYR  46           HE2      TYR  46   4.050   6.312 -19.782
  380    HH   TYR  46           HH       TYR  46   0.583   5.655 -19.233
  381    H    THR  47           H        THR  47   7.542   5.753 -16.363
  382    HA   THR  47           HA       THR  47   9.203   7.755 -17.826
  383    HB   THR  47           HB       THR  47  11.146   6.125 -17.305
  384    HG1  THR  47           1HG      THR  47  10.276   5.659 -14.736
  385   1HG2  THR  47          1HG2      THR  47  11.081   8.446 -16.571
  386   2HG2  THR  47          2HG2      THR  47  10.055   8.013 -15.188
  387   3HG2  THR  47          3HG2      THR  47  11.726   7.411 -15.286
  388    H    ASP  48           H        ASP  48   7.896   7.295 -19.572
  389    HA   ASP  48           HA       ASP  48   7.160   6.354 -21.465
  390   1HB   ASP  48          2HB       ASP  48   9.610   5.733 -21.732
  391   2HB   ASP  48          3HB       ASP  48   9.171   4.108 -21.194
  392    H    GLU  49           H        GLU  49   7.542   4.104 -18.801
  393    HA   GLU  49           HA       GLU  49   4.756   3.121 -19.213
  394   1HB   GLU  49          2HB       GLU  49   6.580   1.371 -19.538
  395   2HB   GLU  49          3HB       GLU  49   7.046   1.637 -17.853
  396   1HG   GLU  49          2HG       GLU  49   4.720   0.930 -17.161
  397   2HG   GLU  49          3HG       GLU  49   4.325   0.668 -18.855
  398    H    LEU  50           H        LEU  50   3.646   2.685 -17.123
  399    HA   LEU  50           HA       LEU  50   4.215   4.734 -15.062
  400   1HB   LEU  50          2HB       LEU  50   1.882   4.397 -15.756
  401   2HB   LEU  50          3HB       LEU  50   2.033   2.656 -15.555
  402    HG   LEU  50           HG       LEU  50   2.318   2.994 -13.067
  403   1HD1  LEU  50          1HD1      LEU  50   3.024   5.376 -13.069
  404   2HD1  LEU  50          2HD1      LEU  50   1.420   5.842 -13.673
  405   3HD1  LEU  50          3HD1      LEU  50   1.601   5.099 -12.067
  406   1HD2  LEU  50          1HD2      LEU  50  -0.038   3.375 -12.642
  407   2HD2  LEU  50          2HD2      LEU  50  -0.257   4.049 -14.279
  408   3HD2  LEU  50          3HD2      LEU  50   0.188   2.337 -14.056
  409    H    LYS  51           H        LYS  51   5.294   4.242 -13.226
  410    HA   LYS  51           HA       LYS  51   5.704   1.378 -12.500
  411   1HB   LYS  51          2HB       LYS  51   7.693   2.921 -13.586
  412   2HB   LYS  51          3HB       LYS  51   7.856   3.383 -11.901
  413   1HG   LYS  51          2HG       LYS  51   9.327   1.551 -12.182
  414   2HG   LYS  51          3HG       LYS  51   7.943   0.892 -11.329
  415   1HD   LYS  51          2HD       LYS  51   8.611  -0.686 -13.015
  416   2HD   LYS  51          3HD       LYS  51   7.066   0.005 -13.549
  417   1HE   LYS  51          2HE       LYS  51   8.275   1.548 -15.071
  418   2HE   LYS  51          3HE       LYS  51   9.819   0.937 -14.474
  419   1HZ   LYS  51          1HZ       LYS  51   9.082  -1.288 -15.340
  420   2HZ   LYS  51          2HZ       LYS  51   7.806  -0.566 -16.089
  421   3HZ   LYS  51          3HZ       LYS  51   9.308  -0.154 -16.517
  422    H    VAL  52           H        VAL  52   5.534   0.866 -10.418
  423    HA   VAL  52           HA       VAL  52   5.167   2.957  -8.384
  424    HB   VAL  52           HB       VAL  52   2.930   2.492  -9.205
  425   1HG1  VAL  52          1HG1      VAL  52   1.849   0.341  -9.079
  426   2HG1  VAL  52          2HG1      VAL  52   3.278   0.186 -10.081
  427   3HG1  VAL  52          3HG1      VAL  52   3.307  -0.421  -8.408
  428   1HG2  VAL  52          1HG2      VAL  52   3.309   1.236  -6.457
  429   2HG2  VAL  52          2HG2      VAL  52   3.193   2.977  -6.811
  430   3HG2  VAL  52          3HG2      VAL  52   1.816   1.926  -7.123
  431    H    ASP  53           H        ASP  53   5.912   2.335  -6.362
  432    HA   ASP  53           HA       ASP  53   6.720  -0.489  -5.993
  433   1HB   ASP  53          2HB       ASP  53   8.710   0.805  -6.909
  434   2HB   ASP  53          3HB       ASP  53   8.654   1.779  -5.428
  435    H    ILE  54           H        ILE  54   6.888  -1.133  -3.873
  436    HA   ILE  54           HA       ILE  54   5.748   0.678  -1.824
  437    HB   ILE  54           HB       ILE  54   4.507  -2.018  -2.468
  438   1HG1  ILE  54          2HG1      ILE  54   3.464   0.781  -3.070
  439   2HG1  ILE  54          3HG1      ILE  54   3.877  -0.474  -4.234
  440   1HG2  ILE  54          1HG2      ILE  54   4.443  -1.405  -0.058
  441   2HG2  ILE  54          2HG2      ILE  54   3.707   0.157  -0.473
  442   3HG2  ILE  54          3HG2      ILE  54   2.846  -1.373  -0.769
  443   1HD1  ILE  54          1HD1      ILE  54   2.036  -1.907  -3.295
  444   2HD1  ILE  54          2HD1      ILE  54   1.517  -0.499  -2.330
  445   3HD1  ILE  54          3HD1      ILE  54   1.516  -0.416  -4.105
  446    H    SER  55           H        SER  55   6.849   0.472   0.053
  447    HA   SER  55           HA       SER  55   7.613  -2.306   0.854
  448   1HB   SER  55          2HB       SER  55   9.697  -0.916   0.298
  449   2HB   SER  55          3HB       SER  55   9.310   0.029   1.754
  450    HG   SER  55           HG       SER  55   9.650  -1.747   3.079
  451    H    ALA  56           H        ALA  56   7.004  -2.818   2.879
  452    HA   ALA  56           HA       ALA  56   6.097  -0.707   4.699
  453   1HB   ALA  56          1HB       ALA  56   4.028  -1.527   3.628
  454   2HB   ALA  56          2HB       ALA  56   4.438  -3.195   4.102
  455   3HB   ALA  56          3HB       ALA  56   4.090  -1.966   5.344
  456    H    GLU  57           H        GLU  57   6.806  -1.037   6.682
  457    HA   GLU  57           HA       GLU  57   8.216  -3.594   7.351
  458   1HB   GLU  57          2HB       GLU  57   8.815  -0.707   8.075
  459   2HB   GLU  57          3HB       GLU  57   9.640  -2.097   8.742
  460   1HG   GLU  57          2HG       GLU  57  11.073  -1.237   7.164
  461   2HG   GLU  57          3HG       GLU  57  10.438  -2.727   6.480
  462    H    LEU  58           H        LEU  58   7.786  -4.489   9.286
  463    HA   LEU  58           HA       LEU  58   5.671  -3.263  10.998
  464   1HB   LEU  58          2HB       LEU  58   6.130  -6.011   9.838
  465   2HB   LEU  58          3HB       LEU  58   5.411  -5.921  11.436
  466    HG   LEU  58           HG       LEU  58   4.258  -4.313   9.124
  467   1HD1  LEU  58          1HD1      LEU  58   4.232  -6.684   8.448
  468   2HD1  LEU  58          2HD1      LEU  58   3.494  -7.136  10.001
  469   3HD1  LEU  58          3HD1      LEU  58   2.608  -6.120   8.838
  470   1HD2  LEU  58          1HD2      LEU  58   3.120  -5.398  11.746
  471   2HD2  LEU  58          2HD2      LEU  58   3.549  -3.701  11.448
  472   3HD2  LEU  58          3HD2      LEU  58   2.224  -4.454  10.550
  473    H    TYR  59           H        TYR  59   6.679  -2.406  12.737
  474    HA   TYR  59           HA       TYR  59   8.931  -3.931  13.947
  475   1HB   TYR  59          2HB       TYR  59   7.961  -1.113  14.492
  476   2HB   TYR  59          3HB       TYR  59   9.372  -1.889  15.173
  477    HD1  TYR  59           HD1      TYR  59   7.917  -0.442  12.051
  478    HD2  TYR  59           HD2      TYR  59  11.450  -2.135  13.859
  479    HE1  TYR  59           HE1      TYR  59   9.307   0.705  10.389
  480    HE2  TYR  59           HE2      TYR  59  12.849  -1.014  12.126
  481    HH   TYR  59           HH       TYR  59  11.427   1.469   9.935
  482    H    LEU  60           H        LEU  60   8.108  -5.489  15.144
  483    HA   LEU  60           HA       LEU  60   5.774  -5.139  16.891
  484   1HB   LEU  60          2HB       LEU  60   7.582  -7.460  16.145
  485   2HB   LEU  60          3HB       LEU  60   6.529  -7.575  17.530
  486    HG   LEU  60           HG       LEU  60   5.601  -8.655  15.544
  487   1HD1  LEU  60          1HD1      LEU  60   4.171  -7.761  17.360
  488   2HD1  LEU  60          2HD1      LEU  60   3.933  -6.272  16.431
  489   3HD1  LEU  60          3HD1      LEU  60   3.345  -7.820  15.792
  490   1HD2  LEU  60          1HD2      LEU  60   5.217  -5.891  14.330
  491   2HD2  LEU  60          2HD2      LEU  60   6.403  -7.095  13.772
  492   3HD2  LEU  60          3HD2      LEU  60   4.666  -7.443  13.675
  493    H    ASP  61           H        ASP  61   5.787  -5.358  19.108
  494    HA   ASP  61           HA       ASP  61   8.028  -4.376  20.615
  495   1HB   ASP  61          2HB       ASP  61   5.627  -4.257  21.312
  496   2HB   ASP  61          3HB       ASP  61   5.630  -6.008  21.546
  497    H    GLU  62           H        GLU  62   9.390  -5.461  22.093
  498    HA   GLU  62           HA       GLU  62  10.522  -7.967  21.068
  499   1HB   GLU  62          2HB       GLU  62  11.330  -6.204  23.421
  500   2HB   GLU  62          3HB       GLU  62  12.247  -7.594  22.815
  501   1HG   GLU  62          2HG       GLU  62  12.394  -6.466  20.570
  502   2HG   GLU  62          3HG       GLU  62  11.667  -5.027  21.287
  503    H    LEU  63           H        LEU  63   7.871  -7.922  22.342
  504    HA   LEU  63           HA       LEU  63   8.004 -10.213  24.202
  505   1HB   LEU  63          2HB       LEU  63   7.027  -7.410  24.723
  506   2HB   LEU  63          3HB       LEU  63   6.144  -8.712  25.487
  507    HG   LEU  63           HG       LEU  63   9.151  -8.381  25.843
  508   1HD1  LEU  63          1HD1      LEU  63   8.008  -6.392  26.699
  509   2HD1  LEU  63          2HD1      LEU  63   6.879  -7.408  27.621
  510   3HD1  LEU  63          3HD1      LEU  63   8.613  -7.391  28.033
  511   1HD2  LEU  63          1HD2      LEU  63   7.028  -9.939  27.398
  512   2HD2  LEU  63          2HD2      LEU  63   8.270 -10.650  26.344
  513   3HD2  LEU  63          3HD2      LEU  63   8.750  -9.819  27.827
  514    H    SER  64           H        SER  64   7.019  -9.371  21.328
  515    HA   SER  64           HA       SER  64   4.758 -11.234  21.444
  516   1HB   SER  64          2HB       SER  64   4.419  -8.334  20.617
  517   2HB   SER  64          3HB       SER  64   3.297  -9.614  20.085
  518    HG   SER  64           HG       SER  64   3.988  -9.550  22.790
  519    H    ASP  65           H        ASP  65   4.307 -12.253  19.478
  520    HA   ASP  65           HA       ASP  65   6.308 -11.868  17.316
  521   1HB   ASP  65          2HB       ASP  65   5.684 -14.429  18.845
  522   2HB   ASP  65          3HB       ASP  65   6.701 -14.305  17.410
  523    H    ALA  66           H        ALA  66   4.754 -11.123  16.000
  524    HA   ALA  66           HA       ALA  66   2.438 -12.690  15.159
  525   1HB   ALA  66          1HB       ALA  66   2.618 -10.169  15.085
  526   2HB   ALA  66          2HB       ALA  66   3.782 -10.347  13.749
  527   3HB   ALA  66          3HB       ALA  66   2.101 -10.920  13.582
  528    H    ASP  67           H        ASP  67   2.441 -12.900  12.442
  529    HA   ASP  67           HA       ASP  67   4.197 -15.191  12.209
  530   1HB   ASP  67          2HB       ASP  67   2.140 -14.061  10.277
  531   2HB   ASP  67          3HB       ASP  67   2.993 -15.579  10.053
  532    HA   PRO  68           HA       PRO  68   7.369 -13.291   9.750
  533   1HB   PRO  68          2HB       PRO  68   8.736 -15.459   8.838
  534   2HB   PRO  68          3HB       PRO  68   8.596 -15.081  10.576
  535   1HG   PRO  68          2HG       PRO  68   6.858 -16.992   8.971
  536   2HG   PRO  68          3HG       PRO  68   7.750 -17.328  10.493
  537   1HD   PRO  68          2HD       PRO  68   5.126 -16.615  10.507
  538   2HD   PRO  68          3HD       PRO  68   6.251 -16.034  11.770
  539    H    GLY  69           H        GLY  69   5.247 -12.700   8.440
  540   1HA   GLY  69          2HA       GLY  69   5.957 -12.659   5.649
  541   2HA   GLY  69          3HA       GLY  69   4.724 -13.890   5.912
  542    H    ILE  70           H        ILE  70   3.830 -11.566   8.171
  543    HA   ILE  70           HA       ILE  70   1.576 -10.792   6.779
  544    HB   ILE  70           HB       ILE  70   2.966  -9.566   9.190
  545   1HG1  ILE  70          2HG1      ILE  70   0.750 -11.651   8.914
  546   2HG1  ILE  70          3HG1      ILE  70   2.408 -12.013   9.348
  547   1HG2  ILE  70          1HG2      ILE  70   1.268  -8.017   8.247
  548   2HG2  ILE  70          2HG2      ILE  70   0.074  -9.335   8.283
  549   3HG2  ILE  70          3HG2      ILE  70   0.758  -8.665   9.790
  550   1HD1  ILE  70          1HD1      ILE  70   2.179 -10.588  11.378
  551   2HD1  ILE  70          2HD1      ILE  70   0.434 -10.483  11.039
  552   3HD1  ILE  70          3HD1      ILE  70   1.163 -12.052  11.359
  553    H    VAL  71           H        VAL  71   4.734  -9.250   6.661
  554    HA   VAL  71           HA       VAL  71   3.977  -6.751   5.415
  555    HB   VAL  71           HB       VAL  71   6.384  -8.543   5.183
  556   1HG1  VAL  71          1HG1      VAL  71   6.463  -7.257   3.173
  557   2HG1  VAL  71          2HG1      VAL  71   5.994  -5.767   4.022
  558   3HG1  VAL  71          3HG1      VAL  71   7.599  -6.484   4.278
  559   1HG2  VAL  71          1HG2      VAL  71   5.995  -5.936   6.722
  560   2HG2  VAL  71          2HG2      VAL  71   6.145  -7.567   7.430
  561   3HG2  VAL  71          3HG2      VAL  71   7.522  -6.829   6.608
  562    H    ASP  72           H        ASP  72   4.941  -9.942   4.034
  563    HA   ASP  72           HA       ASP  72   4.562  -9.242   1.293
  564   1HB   ASP  72          2HB       ASP  72   5.877 -11.193   2.190
  565   2HB   ASP  72          3HB       ASP  72   4.356 -11.991   2.592
  566    H    GLU  73           H        GLU  73   2.365 -10.726   3.733
  567    HA   GLU  73           HA       GLU  73   0.071 -10.932   2.028
  568   1HB   GLU  73          2HB       GLU  73   0.075 -10.239   4.996
  569   2HB   GLU  73          3HB       GLU  73  -1.263 -10.890   4.048
  570   1HG   GLU  73          2HG       GLU  73  -0.256 -13.046   3.894
  571   2HG   GLU  73          3HG       GLU  73   1.263 -12.462   4.575
  572    H    ALA  74           H        ALA  74   1.282  -8.141   4.022
  573    HA   ALA  74           HA       ALA  74  -1.086  -6.537   3.560
  574   1HB   ALA  74          1HB       ALA  74   0.468  -6.111   5.448
  575   2HB   ALA  74          2HB       ALA  74   1.766  -5.702   4.299
  576   3HB   ALA  74          3HB       ALA  74   0.327  -4.690   4.380
  577    H    VAL  75           H        VAL  75   2.122  -6.673   1.998
  578    HA   VAL  75           HA       VAL  75   1.442  -4.495   0.203
  579    HB   VAL  75           HB       VAL  75   3.864  -6.322   0.134
  580   1HG1  VAL  75          1HG1      VAL  75   3.410  -5.037  -1.961
  581   2HG1  VAL  75          2HG1      VAL  75   3.313  -3.557  -1.037
  582   3HG1  VAL  75          3HG1      VAL  75   4.859  -4.437  -1.142
  583   1HG2  VAL  75          1HG2      VAL  75   3.398  -3.571   1.430
  584   2HG2  VAL  75          2HG2      VAL  75   3.732  -5.056   2.302
  585   3HG2  VAL  75          3HG2      VAL  75   4.980  -4.365   1.267
  586    H    ASP  76           H        ASP  76   1.432  -8.115  -0.183
  587    HA   ASP  76           HA       ASP  76   0.493  -8.231  -2.858
  588   1HB   ASP  76          2HB       ASP  76   1.071 -10.235  -1.694
  589   2HB   ASP  76          3HB       ASP  76  -0.047  -9.869  -0.372
  590    H    ALA  77           H        ALA  77  -1.390  -7.680   0.184
  591    HA   ALA  77           HA       ALA  77  -3.919  -7.505  -1.136
  592   1HB   ALA  77          1HB       ALA  77  -3.661  -7.828   1.298
  593   2HB   ALA  77          2HB       ALA  77  -3.011  -6.185   1.463
  594   3HB   ALA  77          3HB       ALA  77  -4.689  -6.425   0.936
  595    H    ALA  78           H        ALA  78  -1.501  -4.939  -0.356
  596    HA   ALA  78           HA       ALA  78  -2.960  -2.813  -1.605
  597   1HB   ALA  78          1HB       ALA  78  -1.077  -2.501  -0.030
  598   2HB   ALA  78          2HB       ALA  78   0.058  -3.115  -1.249
  599   3HB   ALA  78          3HB       ALA  78  -0.832  -1.612  -1.541
  600    H    TYR  79           H        TYR  79  -0.452  -5.043  -3.026
  601    HA   TYR  79           HA       TYR  79  -0.440  -3.836  -5.605
  602   1HB   TYR  79          2HB       TYR  79   0.017  -6.716  -4.702
  603   2HB   TYR  79          3HB       TYR  79   0.255  -6.188  -6.349
  604    HD1  TYR  79           HD1      TYR  79   1.762  -3.800  -6.371
  605    HD2  TYR  79           HD2      TYR  79   2.072  -7.128  -3.622
  606    HE1  TYR  79           HE1      TYR  79   4.187  -3.341  -6.088
  607    HE2  TYR  79           HE2      TYR  79   4.532  -6.770  -3.500
  608    HH   TYR  79           HH       TYR  79   6.167  -4.018  -5.066
  609    H    ARG  80           H        ARG  80  -2.468  -6.594  -4.380
  610    HA   ARG  80           HA       ARG  80  -3.885  -6.790  -6.905
  611   1HB   ARG  80          2HB       ARG  80  -4.438  -7.979  -4.155
  612   2HB   ARG  80          3HB       ARG  80  -5.451  -8.261  -5.585
  613   1HG   ARG  80          2HG       ARG  80  -3.341  -8.957  -6.827
  614   2HG   ARG  80          3HG       ARG  80  -2.488  -8.970  -5.286
  615   1HD   ARG  80          2HD       ARG  80  -5.037 -10.557  -5.765
  616   2HD   ARG  80          3HD       ARG  80  -3.462 -11.158  -6.297
  617    HE   ARG  80           HE       ARG  80  -2.754 -10.785  -3.823
  618   1HH1  ARG  80          1HH2      ARG  80  -5.721 -12.266  -4.978
  619   2HH1  ARG  80          2HH2      ARG  80  -5.877 -13.294  -3.572
  620   1HH2  ARG  80          1HH1      ARG  80  -3.066 -12.001  -2.003
  621   2HH2  ARG  80          2HH1      ARG  80  -4.376 -13.168  -1.914
  622    H    SER  81           H        SER  81  -4.584  -4.956  -3.902
  623    HA   SER  81           HA       SER  81  -7.103  -3.958  -4.888
  624   1HB   SER  81          2HB       SER  81  -6.364  -3.768  -2.506
  625   2HB   SER  81          3HB       SER  81  -5.181  -2.535  -3.015
  626    HG   SER  81           HG       SER  81  -7.155  -1.575  -4.097
  627    H    LEU  82           H        LEU  82  -3.734  -3.015  -5.611
  628    HA   LEU  82           HA       LEU  82  -4.551  -0.610  -7.009
  629   1HB   LEU  82          2HB       LEU  82  -2.324  -1.003  -5.895
  630   2HB   LEU  82          3HB       LEU  82  -1.926  -2.138  -7.174
  631    HG   LEU  82           HG       LEU  82  -2.088  -0.338  -8.861
  632   1HD1  LEU  82          1HD1      LEU  82  -3.713   1.209  -7.869
  633   2HD1  LEU  82          2HD1      LEU  82  -2.633   1.518  -6.496
  634   3HD1  LEU  82          3HD1      LEU  82  -2.190   2.048  -8.130
  635   1HD2  LEU  82          1HD2      LEU  82  -0.315   0.316  -6.475
  636   2HD2  LEU  82          2HD2      LEU  82   0.057  -0.804  -7.801
  637   3HD2  LEU  82          3HD2      LEU  82  -0.108   0.934  -8.127
  638    H    GLU  83           H        GLU  83  -3.692  -3.983  -8.070
  639    HA   GLU  83           HA       GLU  83  -4.119  -3.538 -10.868
  640   1HB   GLU  83          2HB       GLU  83  -4.681  -5.958  -9.112
  641   2HB   GLU  83          3HB       GLU  83  -4.835  -5.970 -10.871
  642   1HG   GLU  83          2HG       GLU  83  -2.476  -5.419 -11.155
  643   2HG   GLU  83          3HG       GLU  83  -2.247  -5.287  -9.413
  644    H    SER  84           H        SER  84  -6.479  -4.293  -8.271
  645    HA   SER  84           HA       SER  84  -8.842  -4.194  -9.849
  646   1HB   SER  84          2HB       SER  84  -8.567  -5.041  -7.499
  647   2HB   SER  84          3HB       SER  84  -8.489  -3.358  -6.943
  648    HG   SER  84           HG       SER  84 -10.600  -4.238  -6.810
  649    H    PHE  85           H        PHE  85  -6.869  -1.530  -8.618
  650    HA   PHE  85           HA       PHE  85  -8.853   0.544  -9.210
  651   1HB   PHE  85          2HB       PHE  85  -7.162   0.538  -7.339
  652   2HB   PHE  85          3HB       PHE  85  -5.896   0.709  -8.531
  653    HD1  PHE  85           HD1      PHE  85  -8.000   2.443  -6.292
  654    HD2  PHE  85           HD2      PHE  85  -6.086   2.805 -10.140
  655    HE1  PHE  85           HE1      PHE  85  -7.964   4.915  -6.042
  656    HE2  PHE  85           HE2      PHE  85  -5.969   5.255  -9.837
  657    HZ   PHE  85           HZ       PHE  85  -6.945   6.326  -7.804
  658    H    LEU  86           H        LEU  86  -5.803  -0.663 -10.691
  659    HA   LEU  86           HA       LEU  86  -5.811   1.137 -12.930
  660   1HB   LEU  86          2HB       LEU  86  -4.320  -1.349 -12.117
  661   2HB   LEU  86          3HB       LEU  86  -4.229  -0.852 -13.790
  662    HG   LEU  86           HG       LEU  86  -2.363  -0.071 -12.247
  663   1HD1  LEU  86          1HD1      LEU  86  -2.720   0.844 -14.493
  664   2HD1  LEU  86          2HD1      LEU  86  -3.848   2.049 -13.836
  665   3HD1  LEU  86          3HD1      LEU  86  -2.144   2.090 -13.375
  666   1HD2  LEU  86          1HD2      LEU  86  -4.326   2.106 -11.405
  667   2HD2  LEU  86          2HD2      LEU  86  -3.767   0.791 -10.353
  668   3HD2  LEU  86          3HD2      LEU  86  -2.613   1.970 -10.980
  669    H    ASP  87           H        ASP  87  -7.545  -1.801 -12.397
  670    HA   ASP  87           HA       ASP  87  -8.338  -2.730 -14.847
  671   1HB   ASP  87          2HB       ASP  87  -8.980  -3.486 -12.532
  672   2HB   ASP  87          3HB       ASP  87 -10.102  -2.130 -12.441
  673    H    GLY  88           H        GLY  88  -8.895   0.555 -13.825
  674   1HA   GLY  88          2HA       GLY  88 -10.709   0.940 -16.202
  675   2HA   GLY  88          3HA       GLY  88 -10.815   1.918 -14.739
  676    H    PHE  89           H        PHE  89  -7.598   1.131 -15.698
  677    HA   PHE  89           HA       PHE  89  -7.222   3.777 -17.061
  678   1HB   PHE  89          2HB       PHE  89  -5.854   2.536 -14.702
  679   2HB   PHE  89          3HB       PHE  89  -4.804   3.322 -15.856
  680    HD1  PHE  89           HD1      PHE  89  -6.553   5.733 -16.613
  681    HD2  PHE  89           HD2      PHE  89  -5.444   3.925 -12.848
  682    HE1  PHE  89           HE1      PHE  89  -6.744   7.933 -15.499
  683    HE2  PHE  89           HE2      PHE  89  -5.550   6.162 -11.773
  684    HZ   PHE  89           HZ       PHE  89  -6.241   8.150 -13.080
  685    H    ARG  90           H        ARG  90  -6.052   0.404 -16.758
  686    HA   ARG  90           HA       ARG  90  -4.593   0.760 -19.371
  687   1HB   ARG  90          2HB       ARG  90  -4.394  -1.299 -17.144
  688   2HB   ARG  90          3HB       ARG  90  -3.657  -1.505 -18.740
  689   1HG   ARG  90          2HG       ARG  90  -2.257   0.475 -18.405
  690   2HG   ARG  90          3HG       ARG  90  -3.041   0.802 -16.849
  691   1HD   ARG  90          2HD       ARG  90  -0.885  -0.338 -16.498
  692   2HD   ARG  90          3HD       ARG  90  -2.230  -1.334 -15.949
  693    HE   ARG  90           HE       ARG  90  -2.045  -2.728 -17.883
  694   1HH1  ARG  90          1HH2      ARG  90   0.721  -0.560 -17.602
  695   2HH1  ARG  90          2HH2      ARG  90   1.718  -1.520 -18.658
  696   1HH2  ARG  90          1HH1      ARG  90  -0.761  -3.867 -19.279
  697   2HH2  ARG  90          2HH1      ARG  90   0.866  -3.339 -19.626
  698    H    GLU  91           H        GLU  91  -7.387  -0.629 -17.961
  699    HA   GLU  91           HA       GLU  91  -8.065  -2.135 -20.438
  700   1HB   GLU  91          2HB       GLU  91  -8.580  -2.899 -17.526
  701   2HB   GLU  91          3HB       GLU  91  -9.265  -3.703 -18.929
  702   1HG   GLU  91          2HG       GLU  91  -7.490  -5.079 -18.281
  703   2HG   GLU  91          3HG       GLU  91  -6.939  -4.250 -19.725
  Start of MODEL   19
    1    H    MET   1           H1       MET   1 -14.462   9.002 -17.362
    2    HA   MET   1           HA       MET   1 -14.118   6.844 -18.249
    3   1HB   MET   1          2HB       MET   1 -13.453   6.491 -20.548
    4   2HB   MET   1          3HB       MET   1 -15.012   7.315 -20.506
    5   1HG   MET   1          2HG       MET   1 -13.814   9.490 -20.952
    6   2HG   MET   1          3HG       MET   1 -12.307   8.578 -21.112
    7   1HE   MET   1          1HE       MET   1 -13.299  10.586 -23.324
    8   2HE   MET   1          2HE       MET   1 -11.819   9.605 -23.462
    9   3HE   MET   1          3HE       MET   1 -12.995   9.635 -24.795
   10    H    SER   2           H        SER   2 -12.016   5.945 -18.051
   11    HA   SER   2           HA       SER   2  -9.877   5.873 -17.407
   12   1HB   SER   2          2HB       SER   2  -9.477   8.443 -18.965
   13   2HB   SER   2          3HB       SER   2  -8.212   7.352 -18.384
   14    HG   SER   2           HG       SER   2  -8.828   6.972 -20.580
   15    H    LEU   3           H        LEU   3  -8.066   7.047 -16.203
   16    HA   LEU   3           HA       LEU   3  -9.018   8.438 -13.868
   17   1HB   LEU   3          2HB       LEU   3  -6.180   8.069 -14.960
   18   2HB   LEU   3          3HB       LEU   3  -6.626   8.625 -13.355
   19    HG   LEU   3           HG       LEU   3  -7.977   6.314 -13.309
   20   1HD1  LEU   3          1HD1      LEU   3  -7.352   5.456 -15.523
   21   2HD1  LEU   3          2HD1      LEU   3  -5.628   5.687 -15.145
   22   3HD1  LEU   3          3HD1      LEU   3  -6.597   4.483 -14.274
   23   1HD2  LEU   3          1HD2      LEU   3  -4.980   6.470 -12.811
   24   2HD2  LEU   3          2HD2      LEU   3  -6.246   7.028 -11.689
   25   3HD2  LEU   3          3HD2      LEU   3  -6.116   5.312 -12.087
   26    H    ARG   4           H        ARG   4  -7.939  10.569 -13.232
   27    HA   ARG   4           HA       ARG   4  -8.361  12.633 -15.298
   28   1HB   ARG   4          2HB       ARG   4  -7.168  12.996 -12.526
   29   2HB   ARG   4          3HB       ARG   4  -7.850  14.227 -13.564
   30   1HG   ARG   4          2HG       ARG   4  -9.461  14.065 -12.004
   31   2HG   ARG   4          3HG       ARG   4 -10.127  12.999 -13.244
   32   1HD   ARG   4          2HD       ARG   4  -9.607  11.049 -11.971
   33   2HD   ARG   4          3HD       ARG   4  -8.421  11.887 -10.975
   34    HE   ARG   4           HE       ARG   4 -11.336  11.861 -10.642
   35   1HH1  ARG   4          1HH2      ARG   4  -8.317  13.457  -9.544
   36   2HH1  ARG   4          2HH2      ARG   4  -9.081  13.960  -8.063
   37   1HH2  ARG   4          1HH1      ARG   4 -12.183  12.608  -8.714
   38   2HH2  ARG   4          2HH1      ARG   4 -11.183  13.520  -7.625
   39    H    LYS   5           H        LYS   5  -6.567  14.390 -15.273
   40    HA   LYS   5           HA       LYS   5  -4.047  13.565 -16.261
   41   1HB   LYS   5          2HB       LYS   5  -3.356  15.905 -15.802
   42   2HB   LYS   5          3HB       LYS   5  -4.879  15.764 -16.646
   43   1HG   LYS   5          2HG       LYS   5  -5.463  17.411 -15.233
   44   2HG   LYS   5          3HG       LYS   5  -5.974  16.068 -14.241
   45   1HD   LYS   5          2HD       LYS   5  -3.192  16.707 -13.650
   46   2HD   LYS   5          3HD       LYS   5  -4.120  18.196 -13.655
   47   1HE   LYS   5          2HE       LYS   5  -4.685  15.711 -11.982
   48   2HE   LYS   5          3HE       LYS   5  -3.942  17.183 -11.405
   49   1HZ   LYS   5          1HZ       LYS   5  -5.998  18.315 -11.691
   50   2HZ   LYS   5          2HZ       LYS   5  -6.691  17.002 -12.428
   51   3HZ   LYS   5          3HZ       LYS   5  -6.240  16.900 -10.851
   52    H    LEU   6           H        LEU   6  -2.493  12.392 -15.237
   53    HA   LEU   6           HA       LEU   6  -2.685  12.050 -12.348
   54   1HB   LEU   6          2HB       LEU   6  -0.848  10.850 -14.452
   55   2HB   LEU   6          3HB       LEU   6  -0.826  10.415 -12.756
   56    HG   LEU   6           HG       LEU   6  -3.150  10.008 -14.681
   57   1HD1  LEU   6          1HD1      LEU   6  -2.711   7.634 -14.338
   58   2HD1  LEU   6          2HD1      LEU   6  -1.247   8.436 -14.925
   59   3HD1  LEU   6          3HD1      LEU   6  -1.392   8.001 -13.207
   60   1HD2  LEU   6          1HD2      LEU   6  -2.971   9.392 -11.690
   61   2HD2  LEU   6          2HD2      LEU   6  -4.149  10.452 -12.510
   62   3HD2  LEU   6          3HD2      LEU   6  -4.195   8.720 -12.786
   63    H    THR   7           H        THR   7  -1.782  13.364 -10.902
   64    HA   THR   7           HA       THR   7   0.982  14.284 -11.185
   65    HB   THR   7           HB       THR   7  -0.407  15.970 -12.427
   66    HG1  THR   7           1HG      THR   7   0.654  17.673 -11.430
   67   1HG2  THR   7          1HG2      THR   7  -2.402  15.889 -10.845
   68   2HG2  THR   7          2HG2      THR   7  -1.440  16.829  -9.690
   69   3HG2  THR   7          3HG2      THR   7  -1.819  17.514 -11.279
   70    H    GLU   8           H        GLU   8   1.040  16.068  -9.208
   71    HA   GLU   8           HA       GLU   8   1.311  14.627  -6.804
   72   1HB   GLU   8          2HB       GLU   8   1.223  17.628  -7.325
   73   2HB   GLU   8          3HB       GLU   8   1.909  16.863  -5.886
   74   1HG   GLU   8          2HG       GLU   8   3.637  15.765  -7.211
   75   2HG   GLU   8          3HG       GLU   8   2.966  16.419  -8.708
   76    H    GLY   9           H        GLY   9  -1.525  14.661  -7.700
   77   1HA   GLY   9          2HA       GLY   9  -2.733  15.073  -5.041
   78   2HA   GLY   9          3HA       GLY   9  -3.527  15.867  -6.429
   79    H    ASP  10           H        ASP  10  -3.620  14.258  -8.452
   80    HA   ASP  10           HA       ASP  10  -5.322  12.097  -7.785
   81   1HB   ASP  10          2HB       ASP  10  -3.771  12.656 -10.350
   82   2HB   ASP  10          3HB       ASP  10  -5.210  11.644 -10.203
   83    H    LEU  11           H        LEU  11  -1.805  12.067  -8.605
   84    HA   LEU  11           HA       LEU  11  -1.544   9.164  -8.333
   85   1HB   LEU  11          2HB       LEU  11   0.490  11.441  -8.241
   86   2HB   LEU  11          3HB       LEU  11   0.913   9.753  -8.132
   87    HG   LEU  11           HG       LEU  11  -0.513  10.962 -10.524
   88   1HD1  LEU  11          1HD1      LEU  11   1.765  11.883 -10.258
   89   2HD1  LEU  11          2HD1      LEU  11   2.426  10.236 -10.181
   90   3HD1  LEU  11          3HD1      LEU  11   1.654  10.822 -11.671
   91   1HD2  LEU  11          1HD2      LEU  11   0.780   8.240 -10.022
   92   2HD2  LEU  11          2HD2      LEU  11  -0.925   8.555 -10.400
   93   3HD2  LEU  11          3HD2      LEU  11   0.325   8.810 -11.629
   94    H    ASP  12           H        ASP  12  -1.380  11.967  -6.117
   95    HA   ASP  12           HA       ASP  12  -0.323  10.319  -4.015
   96   1HB   ASP  12          2HB       ASP  12  -0.042  12.859  -4.170
   97   2HB   ASP  12          3HB       ASP  12  -1.665  12.955  -3.463
   98    H    GLU  13           H        GLU  13  -3.657  11.262  -4.920
   99    HA   GLU  13           HA       GLU  13  -5.022   9.947  -2.814
  100   1HB   GLU  13          2HB       GLU  13  -6.005  11.287  -4.763
  101   2HB   GLU  13          3HB       GLU  13  -5.747   9.868  -5.772
  102   1HG   GLU  13          2HG       GLU  13  -7.988   9.722  -5.177
  103   2HG   GLU  13          3HG       GLU  13  -7.223   8.576  -4.088
  104    H    ILE  14           H        ILE  14  -3.503   8.556  -5.776
  105    HA   ILE  14           HA       ILE  14  -4.126   5.812  -5.052
  106    HB   ILE  14           HB       ILE  14  -2.128   6.992  -6.989
  107   1HG1  ILE  14          2HG1      ILE  14  -4.792   5.553  -7.354
  108   2HG1  ILE  14          3HG1      ILE  14  -4.561   7.291  -7.487
  109   1HG2  ILE  14          1HG2      ILE  14  -1.247   4.826  -6.243
  110   2HG2  ILE  14          2HG2      ILE  14  -2.826   4.060  -6.527
  111   3HG2  ILE  14          3HG2      ILE  14  -1.852   4.681  -7.882
  112   1HD1  ILE  14          1HD1      ILE  14  -3.028   6.920  -9.432
  113   2HD1  ILE  14          2HD1      ILE  14  -3.465   5.189  -9.383
  114   3HD1  ILE  14          3HD1      ILE  14  -4.708   6.404  -9.692
  115    H    SER  15           H        SER  15  -1.131   7.810  -4.503
  116    HA   SER  15           HA       SER  15   0.328   5.821  -3.148
  117   1HB   SER  15          2HB       SER  15   1.838   7.440  -2.842
  118   2HB   SER  15          3HB       SER  15   0.756   8.500  -3.741
  119    HG   SER  15           HG       SER  15   0.707   9.711  -1.888
  120    H    SER  16           H        SER  16  -2.021   8.096  -1.844
  121    HA   SER  16           HA       SER  16  -1.997   7.301   0.892
  122   1HB   SER  16          2HB       SER  16  -2.878   9.443   0.037
  123   2HB   SER  16          3HB       SER  16  -4.180   8.583  -0.806
  124    HG   SER  16           HG       SER  16  -4.932   9.324   1.156
  125    H    PHE  17           H        PHE  17  -4.167   6.284  -1.857
  126    HA   PHE  17           HA       PHE  17  -5.720   4.435  -0.358
  127   1HB   PHE  17          2HB       PHE  17  -6.410   5.078  -2.557
  128   2HB   PHE  17          3HB       PHE  17  -4.885   4.579  -3.270
  129    HD1  PHE  17           HD1      PHE  17  -4.584   2.402  -4.148
  130    HD2  PHE  17           HD2      PHE  17  -7.916   3.210  -1.534
  131    HE1  PHE  17           HE1      PHE  17  -5.488   0.135  -4.602
  132    HE2  PHE  17           HE2      PHE  17  -8.821   0.942  -1.994
  133    HZ   PHE  17           HZ       PHE  17  -7.617  -0.590  -3.532
  134    H    LEU  18           H        LEU  18  -2.583   3.927  -2.052
  135    HA   LEU  18           HA       LEU  18  -2.411   1.128  -1.395
  136   1HB   LEU  18          2HB       LEU  18  -0.354   3.232  -2.170
  137   2HB   LEU  18          3HB       LEU  18   0.057   1.528  -1.966
  138    HG   LEU  18           HG       LEU  18  -2.081   2.495  -3.920
  139   1HD1  LEU  18          1HD1      LEU  18   0.060   3.448  -4.584
  140   2HD1  LEU  18          2HD1      LEU  18   0.848   1.860  -4.443
  141   3HD1  LEU  18          3HD1      LEU  18  -0.393   2.146  -5.686
  142   1HD2  LEU  18          1HD2      LEU  18  -0.613  -0.155  -3.649
  143   2HD2  LEU  18          2HD2      LEU  18  -2.336   0.138  -3.317
  144   3HD2  LEU  18          3HD2      LEU  18  -1.716   0.313  -4.953
  145    H    HIS  19           H        HIS  19  -0.853   3.993   0.180
  146    HA   HIS  19           HA       HIS  19   0.364   2.541   2.291
  147   1HB   HIS  19          2HB       HIS  19   0.897   4.854   1.687
  148   2HB   HIS  19          3HB       HIS  19  -0.709   5.386   2.173
  149    HD1  HIS  19           HD1      HIS  19   0.849   7.082   3.737
  150    HD2  HIS  19           HD2      HIS  19   0.762   3.012   4.765
  151    HE1  HIS  19           HE1      HIS  19   1.693   6.908   6.147
  152    H    ASN  20           H        ASN  20  -2.905   4.128   2.224
  153    HA   ASN  20           HA       ASN  20  -3.670   3.265   4.822
  154   1HB   ASN  20          2HB       ASN  20  -4.809   5.050   3.508
  155   2HB   ASN  20          3HB       ASN  20  -5.457   3.820   2.409
  156   1HD2  ASN  20          2HD2      ASN  20  -7.047   2.318   3.257
  157   2HD2  ASN  20          1HD2      ASN  20  -7.570   2.371   4.923
  158    H    THR  21           H        THR  21  -3.965   1.582   1.635
  159    HA   THR  21           HA       THR  21  -5.560  -0.585   2.579
  160    HB   THR  21           HB       THR  21  -3.470  -0.586   0.357
  161    HG1  THR  21           1HG      THR  21  -5.078   0.881  -0.061
  162   1HG2  THR  21          1HG2      THR  21  -4.014  -2.905   0.915
  163   2HG2  THR  21          2HG2      THR  21  -5.754  -2.518   0.965
  164   3HG2  THR  21          3HG2      THR  21  -4.864  -2.450  -0.569
  165    H    ILE  22           H        ILE  22  -1.944  -0.305   2.427
  166    HA   ILE  22           HA       ILE  22  -1.483  -2.846   3.715
  167    HB   ILE  22           HB       ILE  22   0.244  -0.351   3.723
  168   1HG1  ILE  22          2HG1      ILE  22   0.150  -2.722   1.835
  169   2HG1  ILE  22          3HG1      ILE  22  -0.170  -1.026   1.456
  170   1HG2  ILE  22          1HG2      ILE  22   0.847  -2.148   5.471
  171   2HG2  ILE  22          2HG2      ILE  22   1.168  -3.239   4.101
  172   3HG2  ILE  22          3HG2      ILE  22   2.118  -1.777   4.325
  173   1HD1  ILE  22          1HD1      ILE  22   2.287  -0.608   2.212
  174   2HD1  ILE  22          2HD1      ILE  22   2.451  -2.375   2.003
  175   3HD1  ILE  22          3HD1      ILE  22   1.942  -1.357   0.618
  176    H    SER  23           H        SER  23  -1.825   0.488   5.057
  177    HA   SER  23           HA       SER  23  -1.347  -0.183   7.759
  178   1HB   SER  23          2HB       SER  23  -1.476   2.127   6.767
  179   2HB   SER  23          3HB       SER  23  -3.244   1.970   6.751
  180    HG   SER  23           HG       SER  23  -1.482   2.009   8.968
  181    H    ASP  24           H        ASP  24  -4.614   0.024   6.129
  182    HA   ASP  24           HA       ASP  24  -6.044  -1.109   8.331
  183   1HB   ASP  24          2HB       ASP  24  -6.614  -0.975   5.366
  184   2HB   ASP  24          3HB       ASP  24  -7.636  -1.923   6.432
  185    H    PHE  25           H        PHE  25  -4.305  -2.785   5.620
  186    HA   PHE  25           HA       PHE  25  -5.435  -5.309   6.389
  187   1HB   PHE  25          2HB       PHE  25  -4.360  -4.613   4.156
  188   2HB   PHE  25          3HB       PHE  25  -2.813  -4.963   4.911
  189    HD1  PHE  25           HD1      PHE  25  -2.182  -7.387   5.303
  190    HD2  PHE  25           HD2      PHE  25  -6.032  -6.269   3.716
  191    HE1  PHE  25           HE1      PHE  25  -2.610  -9.740   4.602
  192    HE2  PHE  25           HE2      PHE  25  -6.449  -8.623   3.054
  193    HZ   PHE  25           HZ       PHE  25  -4.719 -10.360   3.502
  194    H    ILE  26           H        ILE  26  -2.328  -3.677   7.325
  195    HA   ILE  26           HA       ILE  26  -1.384  -5.721   9.069
  196    HB   ILE  26           HB       ILE  26  -0.986  -2.727   8.801
  197   1HG1  ILE  26          2HG1      ILE  26   0.863  -5.138   8.421
  198   2HG1  ILE  26          3HG1      ILE  26   0.011  -4.300   7.130
  199   1HG2  ILE  26          1HG2      ILE  26  -0.787  -3.145  11.187
  200   2HG2  ILE  26          2HG2      ILE  26   0.318  -4.512  10.882
  201   3HG2  ILE  26          3HG2      ILE  26   0.793  -2.837  10.502
  202   1HD1  ILE  26          1HD1      ILE  26   1.264  -2.187   7.763
  203   2HD1  ILE  26          2HD1      ILE  26   2.267  -3.188   8.833
  204   3HD1  ILE  26          3HD1      ILE  26   2.252  -3.508   7.096
  205    H    LEU  27           H        LEU  27  -3.500  -2.830   9.773
  206    HA   LEU  27           HA       LEU  27  -3.960  -3.549  12.498
  207   1HB   LEU  27          2HB       LEU  27  -5.224  -1.737  10.472
  208   2HB   LEU  27          3HB       LEU  27  -6.260  -2.218  11.788
  209    HG   LEU  27           HG       LEU  27  -5.115  -0.060  12.149
  210   1HD1  LEU  27          1HD1      LEU  27  -5.980  -1.401  14.030
  211   2HD1  LEU  27          2HD1      LEU  27  -4.400  -2.189  14.204
  212   3HD1  LEU  27          3HD1      LEU  27  -4.565  -0.442  14.486
  213   1HD2  LEU  27          1HD2      LEU  27  -2.559  -1.680  12.522
  214   2HD2  LEU  27          2HD2      LEU  27  -2.897  -0.573  11.173
  215   3HD2  LEU  27          3HD2      LEU  27  -2.780   0.054  12.823
  216    H    LYS  28           H        LYS  28  -5.470  -4.835   9.594
  217    HA   LYS  28           HA       LYS  28  -7.334  -6.496  11.194
  218   1HB   LYS  28          2HB       LYS  28  -6.956  -6.012   8.214
  219   2HB   LYS  28          3HB       LYS  28  -8.161  -7.126   8.874
  220   1HG   LYS  28          2HG       LYS  28  -9.390  -5.418   9.940
  221   2HG   LYS  28          3HG       LYS  28  -8.065  -4.266   9.883
  222   1HD   LYS  28          2HD       LYS  28  -8.318  -4.100   7.394
  223   2HD   LYS  28          3HD       LYS  28  -9.696  -5.200   7.496
  224   1HE   LYS  28          2HE       LYS  28 -10.515  -2.901   7.433
  225   2HE   LYS  28          3HE       LYS  28 -10.849  -3.640   9.009
  226   1HZ   LYS  28          1HZ       LYS  28  -8.656  -2.470   9.675
  227   2HZ   LYS  28          2HZ       LYS  28  -8.911  -1.484   8.385
  228   3HZ   LYS  28          3HZ       LYS  28 -10.021  -1.549   9.540
  229    H    ARG  29           H        ARG  29  -4.164  -6.797  10.586
  230    HA   ARG  29           HA       ARG  29  -4.269  -9.801  10.584
  231   1HB   ARG  29          2HB       ARG  29  -2.188  -7.799   9.634
  232   2HB   ARG  29          3HB       ARG  29  -1.839  -9.504   9.833
  233   1HG   ARG  29          2HG       ARG  29  -4.177  -8.755   8.067
  234   2HG   ARG  29          3HG       ARG  29  -2.527  -8.466   7.503
  235   1HD   ARG  29          2HD       ARG  29  -3.188 -10.582   6.689
  236   2HD   ARG  29          3HD       ARG  29  -1.959 -10.816   7.947
  237    HE   ARG  29           HE       ARG  29  -4.742 -11.007   8.841
  238   1HH1  ARG  29          1HH2      ARG  29  -2.007 -12.899   7.499
  239   2HH1  ARG  29          2HH2      ARG  29  -2.657 -14.384   8.126
  240   1HH2  ARG  29          1HH1      ARG  29  -5.464 -12.975   9.596
  241   2HH2  ARG  29          2HH1      ARG  29  -4.564 -14.430   9.265
  242    H    VAL  30           H        VAL  30  -2.706  -6.993  12.207
  243    HA   VAL  30           HA       VAL  30  -2.113  -8.770  14.513
  244    HB   VAL  30           HB       VAL  30  -0.155  -8.834  13.112
  245   1HG1  VAL  30          1HG1      VAL  30  -0.327  -6.722  11.876
  246   2HG1  VAL  30          2HG1      VAL  30   0.044  -5.808  13.356
  247   3HG1  VAL  30          3HG1      VAL  30   1.254  -6.897  12.638
  248   1HG2  VAL  30          1HG2      VAL  30   0.466  -7.099  15.528
  249   2HG2  VAL  30          2HG2      VAL  30   0.132  -8.850  15.579
  250   3HG2  VAL  30          3HG2      VAL  30   1.535  -8.241  14.697
  251    H    SER  31           H        SER  31  -1.943  -7.786  16.491
  252    HA   SER  31           HA       SER  31  -3.618  -5.491  16.882
  253   1HB   SER  31          2HB       SER  31  -3.470  -7.373  18.466
  254   2HB   SER  31          3HB       SER  31  -1.777  -6.959  18.796
  255    HG   SER  31           HG       SER  31  -3.098  -6.069  20.338
  256    H    ALA  32           H        ALA  32  -2.909  -3.494  16.286
  257    HA   ALA  32           HA       ALA  32  -0.444  -2.328  16.371
  258   1HB   ALA  32          1HB       ALA  32  -2.392  -1.287  15.389
  259   2HB   ALA  32          2HB       ALA  32  -3.138  -1.069  16.995
  260   3HB   ALA  32          3HB       ALA  32  -1.655  -0.186  16.562
  261    H    LYS  33           H        LYS  33  -2.338  -3.186  19.223
  262    HA   LYS  33           HA       LYS  33  -0.870  -1.518  21.104
  263   1HB   LYS  33          2HB       LYS  33  -2.434  -4.106  21.527
  264   2HB   LYS  33          3HB       LYS  33  -1.761  -3.101  22.798
  265   1HG   LYS  33          2HG       LYS  33  -3.169  -1.154  21.829
  266   2HG   LYS  33          3HG       LYS  33  -3.955  -2.376  20.826
  267   1HD   LYS  33          2HD       LYS  33  -5.422  -2.285  22.574
  268   2HD   LYS  33          3HD       LYS  33  -4.406  -3.610  23.125
  269   1HE   LYS  33          2HE       LYS  33  -4.182  -0.672  23.960
  270   2HE   LYS  33          3HE       LYS  33  -4.991  -1.932  24.895
  271   1HZ   LYS  33          1HZ       LYS  33  -2.852  -3.064  25.099
  272   2HZ   LYS  33          2HZ       LYS  33  -2.102  -1.872  24.256
  273   3HZ   LYS  33          3HZ       LYS  33  -2.767  -1.543  25.720
  274    H    GLU  34           H        GLU  34   0.130  -4.175  19.262
  275    HA   GLU  34           HA       GLU  34   2.479  -4.687  21.036
  276   1HB   GLU  34          2HB       GLU  34   1.391  -6.435  18.795
  277   2HB   GLU  34          3HB       GLU  34   2.619  -6.840  19.997
  278   1HG   GLU  34          2HG       GLU  34   0.882  -6.732  21.787
  279   2HG   GLU  34          3HG       GLU  34  -0.341  -6.328  20.569
  280    H    ILE  35           H        ILE  35   1.624  -2.781  18.497
  281    HA   ILE  35           HA       ILE  35   4.131  -3.182  16.925
  282    HB   ILE  35           HB       ILE  35   1.572  -1.650  16.360
  283   1HG1  ILE  35          2HG1      ILE  35   1.171  -4.012  16.065
  284   2HG1  ILE  35          3HG1      ILE  35   1.284  -3.276  14.480
  285   1HG2  ILE  35          1HG2      ILE  35   3.336  -0.410  15.335
  286   2HG2  ILE  35          2HG2      ILE  35   4.033  -1.876  14.608
  287   3HG2  ILE  35          3HG2      ILE  35   2.433  -1.278  14.095
  288   1HD1  ILE  35          1HD1      ILE  35   3.665  -4.136  14.332
  289   2HD1  ILE  35          2HD1      ILE  35   3.402  -4.957  15.878
  290   3HD1  ILE  35          3HD1      ILE  35   2.435  -5.413  14.476
  291    H    VAL  36           H        VAL  36   5.753  -1.951  17.335
  292    HA   VAL  36           HA       VAL  36   5.686   0.381  19.123
  293    HB   VAL  36           HB       VAL  36   7.821  -0.997  17.438
  294   1HG1  VAL  36          1HG1      VAL  36   8.428   1.329  17.375
  295   2HG1  VAL  36          2HG1      VAL  36   8.142   1.506  19.126
  296   3HG1  VAL  36          3HG1      VAL  36   9.482   0.498  18.524
  297   1HG2  VAL  36          1HG2      VAL  36   7.528  -0.652  20.452
  298   2HG2  VAL  36          2HG2      VAL  36   7.111  -2.118  19.543
  299   3HG2  VAL  36          3HG2      VAL  36   8.791  -1.575  19.604
  300    H    ASP  37           H        ASP  37   6.259  -0.248  15.621
  301    HA   ASP  37           HA       ASP  37   4.767   2.081  14.861
  302   1HB   ASP  37          2HB       ASP  37   7.248   2.868  15.622
  303   2HB   ASP  37          3HB       ASP  37   7.635   2.391  13.982
  304    H    ILE  38           H        ILE  38   5.210   2.564  12.395
  305    HA   ILE  38           HA       ILE  38   6.079   0.175  10.866
  306    HB   ILE  38           HB       ILE  38   4.194   0.494   9.237
  307   1HG1  ILE  38          2HG1      ILE  38   2.854   2.043  11.501
  308   2HG1  ILE  38          3HG1      ILE  38   3.339   2.687   9.932
  309   1HG2  ILE  38          1HG2      ILE  38   4.381  -1.371  10.832
  310   2HG2  ILE  38          2HG2      ILE  38   3.327  -0.501  11.965
  311   3HG2  ILE  38          3HG2      ILE  38   2.720  -1.021  10.368
  312   1HD1  ILE  38          1HD1      ILE  38   0.986   2.319   9.847
  313   2HD1  ILE  38          2HD1      ILE  38   1.734   1.059   8.844
  314   3HD1  ILE  38          3HD1      ILE  38   1.133   0.670  10.473
  315    H    ASP  39           H        ASP  39   7.094   0.601   9.000
  316    HA   ASP  39           HA       ASP  39   7.239   3.463   8.068
  317   1HB   ASP  39          2HB       ASP  39   9.290   1.235   7.861
  318   2HB   ASP  39          3HB       ASP  39   9.260   2.584   6.739
  319    H    ILE  40           H        ILE  40   5.998   3.743   6.295
  320    HA   ILE  40           HA       ILE  40   5.964   1.585   4.262
  321    HB   ILE  40           HB       ILE  40   3.513   3.066   5.250
  322   1HG1  ILE  40          2HG1      ILE  40   3.949   0.091   4.787
  323   2HG1  ILE  40          3HG1      ILE  40   4.314   0.842   6.350
  324   1HG2  ILE  40          1HG2      ILE  40   2.349   1.856   3.326
  325   2HG2  ILE  40          2HG2      ILE  40   3.455   3.111   2.790
  326   3HG2  ILE  40          3HG2      ILE  40   3.945   1.397   2.716
  327   1HD1  ILE  40          1HD1      ILE  40   1.952   1.556   6.546
  328   2HD1  ILE  40          2HD1      ILE  40   1.604   0.671   5.040
  329   3HD1  ILE  40          3HD1      ILE  40   2.188  -0.209   6.462
  330    H    THR  41           H        THR  41   6.722   2.263   2.466
  331    HA   THR  41           HA       THR  41   6.602   5.163   1.707
  332    HB   THR  41           HB       THR  41   8.845   3.158   1.254
  333    HG1  THR  41           1HG      THR  41   8.591   4.302   3.295
  334   1HG2  THR  41          1HG2      THR  41   8.667   4.568  -0.741
  335   2HG2  THR  41          2HG2      THR  41   8.533   6.031   0.270
  336   3HG2  THR  41          3HG2      THR  41  10.045   5.099   0.236
  337    H    VAL  42           H        VAL  42   5.349   5.439  -0.002
  338    HA   VAL  42           HA       VAL  42   5.212   3.336  -2.116
  339    HB   VAL  42           HB       VAL  42   3.042   5.330  -1.345
  340   1HG1  VAL  42          1HG1      VAL  42   3.049   4.970  -3.764
  341   2HG1  VAL  42          2HG1      VAL  42   3.189   3.212  -3.542
  342   3HG1  VAL  42          3HG1      VAL  42   1.713   4.064  -3.051
  343   1HG2  VAL  42          1HG2      VAL  42   3.103   2.288  -1.124
  344   2HG2  VAL  42          2HG2      VAL  42   3.150   3.425   0.240
  345   3HG2  VAL  42          3HG2      VAL  42   1.710   3.336  -0.773
  346    H    LEU  43           H        LEU  43   6.164   3.941  -3.926
  347    HA   LEU  43           HA       LEU  43   6.449   6.841  -4.597
  348   1HB   LEU  43          2HB       LEU  43   8.486   4.707  -4.406
  349   2HB   LEU  43          3HB       LEU  43   8.414   5.409  -6.014
  350    HG   LEU  43           HG       LEU  43   8.663   7.691  -5.045
  351   1HD1  LEU  43          1HD1      LEU  43   7.837   7.308  -2.746
  352   2HD1  LEU  43          2HD1      LEU  43   9.192   6.200  -2.441
  353   3HD1  LEU  43          3HD1      LEU  43   9.491   7.928  -2.722
  354   1HD2  LEU  43          1HD2      LEU  43  10.850   5.703  -4.299
  355   2HD2  LEU  43          2HD2      LEU  43  10.610   6.450  -5.897
  356   3HD2  LEU  43          3HD2      LEU  43  11.061   7.457  -4.513
  357    H    VAL  44           H        VAL  44   5.870   7.448  -6.638
  358    HA   VAL  44           HA       VAL  44   5.241   5.391  -8.627
  359    HB   VAL  44           HB       VAL  44   3.112   5.713  -7.445
  360   1HG1  VAL  44          1HG1      VAL  44   3.379   8.057  -6.689
  361   2HG1  VAL  44          2HG1      VAL  44   3.154   8.607  -8.363
  362   3HG1  VAL  44          3HG1      VAL  44   1.848   7.746  -7.512
  363   1HG2  VAL  44          1HG2      VAL  44   3.051   6.909 -10.245
  364   2HG2  VAL  44          2HG2      VAL  44   3.169   5.178  -9.869
  365   3HG2  VAL  44          3HG2      VAL  44   1.726   6.083  -9.393
  366    H    GLU  45           H        GLU  45   5.864   5.959 -10.608
  367    HA   GLU  45           HA       GLU  45   6.605   8.774 -11.236
  368   1HB   GLU  45          2HB       GLU  45   8.517   6.394 -11.172
  369   2HB   GLU  45          3HB       GLU  45   8.830   7.887 -12.060
  370   1HG   GLU  45          2HG       GLU  45   8.601   9.173  -9.909
  371   2HG   GLU  45          3HG       GLU  45   8.487   7.632  -9.047
  372    H    TYR  46           H        TYR  46   7.151   9.060 -13.541
  373    HA   TYR  46           HA       TYR  46   6.277   6.862 -15.321
  374   1HB   TYR  46          2HB       TYR  46   4.334   8.422 -14.666
  375   2HB   TYR  46          3HB       TYR  46   5.118   9.645 -15.650
  376    HD1  TYR  46           HD1      TYR  46   2.568   7.392 -15.668
  377    HD2  TYR  46           HD2      TYR  46   5.944   8.467 -18.127
  378    HE1  TYR  46           HE1      TYR  46   1.533   6.224 -17.596
  379    HE2  TYR  46           HE2      TYR  46   4.930   7.273 -20.039
  380    HH   TYR  46           HH       TYR  46   3.287   5.867 -20.706
  381    H    THR  47           H        THR  47   8.054   6.564 -16.483
  382    HA   THR  47           HA       THR  47   9.378   8.872 -17.806
  383    HB   THR  47           HB       THR  47  10.727   8.555 -15.888
  384    HG1  THR  47           1HG      THR  47  12.671   7.990 -17.034
  385   1HG2  THR  47          1HG2      THR  47  10.297   6.142 -15.360
  386   2HG2  THR  47          2HG2      THR  47  11.368   5.699 -16.707
  387   3HG2  THR  47          3HG2      THR  47  11.999   6.615 -15.326
  388    H    ASP  48           H        ASP  48   8.136   8.288 -19.522
  389    HA   ASP  48           HA       ASP  48   7.417   7.304 -21.397
  390   1HB   ASP  48          2HB       ASP  48   9.883   7.122 -21.895
  391   2HB   ASP  48          3HB       ASP  48   9.806   5.441 -21.353
  392    H    GLU  49           H        GLU  49   8.548   4.866 -19.082
  393    HA   GLU  49           HA       GLU  49   6.037   3.291 -19.373
  394   1HB   GLU  49          2HB       GLU  49   8.474   2.278 -19.313
  395   2HB   GLU  49          3HB       GLU  49   8.413   2.687 -17.595
  396   1HG   GLU  49          2HG       GLU  49   6.107   1.315 -17.713
  397   2HG   GLU  49          3HG       GLU  49   6.806   0.662 -19.187
  398    H    LEU  50           H        LEU  50   4.806   2.865 -17.455
  399    HA   LEU  50           HA       LEU  50   4.838   4.886 -15.296
  400   1HB   LEU  50          2HB       LEU  50   2.683   4.295 -16.300
  401   2HB   LEU  50          3HB       LEU  50   3.000   2.580 -16.067
  402    HG   LEU  50           HG       LEU  50   2.878   2.870 -13.602
  403   1HD1  LEU  50          1HD1      LEU  50   1.974   5.716 -14.212
  404   2HD1  LEU  50          2HD1      LEU  50   1.971   4.921 -12.626
  405   3HD1  LEU  50          3HD1      LEU  50   3.503   5.278 -13.419
  406   1HD2  LEU  50          1HD2      LEU  50   0.462   3.931 -15.120
  407   2HD2  LEU  50          2HD2      LEU  50   0.893   2.220 -14.897
  408   3HD2  LEU  50          3HD2      LEU  50   0.451   3.207 -13.496
  409    H    LYS  51           H        LYS  51   5.795   4.470 -13.341
  410    HA   LYS  51           HA       LYS  51   6.245   1.619 -12.561
  411   1HB   LYS  51          2HB       LYS  51   8.333   3.137 -13.329
  412   2HB   LYS  51          3HB       LYS  51   8.154   3.794 -11.712
  413   1HG   LYS  51          2HG       LYS  51   9.632   2.115 -11.253
  414   2HG   LYS  51          3HG       LYS  51   8.147   1.195 -11.017
  415   1HD   LYS  51          2HD       LYS  51   9.891   1.255 -13.522
  416   2HD   LYS  51          3HD       LYS  51   9.817  -0.049 -12.331
  417   1HE   LYS  51          2HE       LYS  51   7.458  -0.489 -12.926
  418   2HE   LYS  51          3HE       LYS  51   7.489   0.859 -14.081
  419   1HZ   LYS  51          1HZ       LYS  51   9.125  -0.291 -15.386
  420   2HZ   LYS  51          2HZ       LYS  51   9.148  -1.593 -14.335
  421   3HZ   LYS  51          3HZ       LYS  51   7.838  -1.141 -15.294
  422    H    VAL  52           H        VAL  52   5.754   1.074 -10.527
  423    HA   VAL  52           HA       VAL  52   5.189   3.117  -8.517
  424    HB   VAL  52           HB       VAL  52   2.983   2.748  -9.426
  425   1HG1  VAL  52          1HG1      VAL  52   3.268   0.473 -10.396
  426   2HG1  VAL  52          2HG1      VAL  52   3.245  -0.211  -8.755
  427   3HG1  VAL  52          3HG1      VAL  52   1.821   0.627  -9.399
  428   1HG2  VAL  52          1HG2      VAL  52   3.203   1.306  -6.744
  429   2HG2  VAL  52          2HG2      VAL  52   3.238   3.069  -6.969
  430   3HG2  VAL  52          3HG2      VAL  52   1.791   2.146  -7.404
  431    H    ASP  53           H        ASP  53   5.991   2.570  -6.624
  432    HA   ASP  53           HA       ASP  53   7.071  -0.186  -6.212
  433   1HB   ASP  53          2HB       ASP  53   8.524   2.489  -6.057
  434   2HB   ASP  53          3HB       ASP  53   9.163   0.965  -5.432
  435    H    ILE  54           H        ILE  54   6.988  -0.896  -4.150
  436    HA   ILE  54           HA       ILE  54   5.856   0.895  -2.055
  437    HB   ILE  54           HB       ILE  54   4.854  -1.882  -2.810
  438   1HG1  ILE  54          2HG1      ILE  54   3.577   0.866  -3.174
  439   2HG1  ILE  54          3HG1      ILE  54   4.067  -0.249  -4.450
  440   1HG2  ILE  54          1HG2      ILE  54   4.759  -1.368  -0.344
  441   2HG2  ILE  54          2HG2      ILE  54   3.768   0.055  -0.714
  442   3HG2  ILE  54          3HG2      ILE  54   3.182  -1.585  -1.093
  443   1HD1  ILE  54          1HD1      ILE  54   2.355  -1.892  -3.617
  444   2HD1  ILE  54          2HD1      ILE  54   1.763  -0.636  -2.499
  445   3HD1  ILE  54          3HD1      ILE  54   1.704  -0.373  -4.266
  446    H    SER  55           H        SER  55   6.918   0.717  -0.178
  447    HA   SER  55           HA       SER  55   8.129  -1.914   0.543
  448   1HB   SER  55          2HB       SER  55   9.485   0.793   0.785
  449   2HB   SER  55          3HB       SER  55  10.029  -0.683   1.623
  450    HG   SER  55           HG       SER  55   9.474  -1.032  -1.048
  451    H    ALA  56           H        ALA  56   7.496  -2.608   2.504
  452    HA   ALA  56           HA       ALA  56   6.467  -0.646   4.463
  453   1HB   ALA  56          1HB       ALA  56   4.528  -1.658   3.296
  454   2HB   ALA  56          2HB       ALA  56   5.114  -3.275   3.769
  455   3HB   ALA  56          3HB       ALA  56   4.597  -2.115   5.010
  456    H    GLU  57           H        GLU  57   7.071  -1.043   6.534
  457    HA   GLU  57           HA       GLU  57   8.233  -3.679   7.260
  458   1HB   GLU  57          2HB       GLU  57  10.092  -2.171   6.622
  459   2HB   GLU  57          3HB       GLU  57   9.536  -0.984   7.798
  460   1HG   GLU  57          2HG       GLU  57  11.465  -2.240   8.627
  461   2HG   GLU  57          3HG       GLU  57  10.059  -2.494   9.650
  462    H    LEU  58           H        LEU  58   8.155  -4.185   9.438
  463    HA   LEU  58           HA       LEU  58   5.954  -2.816  10.952
  464   1HB   LEU  58          2HB       LEU  58   5.289  -4.864   9.640
  465   2HB   LEU  58          3HB       LEU  58   6.501  -5.777  10.523
  466    HG   LEU  58           HG       LEU  58   5.189  -5.018  12.679
  467   1HD1  LEU  58          1HD1      LEU  58   3.705  -3.382  11.636
  468   2HD1  LEU  58          2HD1      LEU  58   3.114  -4.599  10.477
  469   3HD1  LEU  58          3HD1      LEU  58   2.727  -4.744  12.193
  470   1HD2  LEU  58          1HD2      LEU  58   3.920  -6.987  10.746
  471   2HD2  LEU  58          2HD2      LEU  58   5.298  -7.339  11.816
  472   3HD2  LEU  58          3HD2      LEU  58   3.720  -6.949  12.513
  473    H    TYR  59           H        TYR  59   6.963  -1.904  12.734
  474    HA   TYR  59           HA       TYR  59   9.110  -3.474  14.070
  475   1HB   TYR  59          2HB       TYR  59   8.106  -0.691  14.711
  476   2HB   TYR  59          3HB       TYR  59   9.526  -1.490  15.358
  477    HD1  TYR  59           HD1      TYR  59  11.436  -2.116  13.699
  478    HD2  TYR  59           HD2      TYR  59   8.207   0.555  12.683
  479    HE1  TYR  59           HE1      TYR  59  12.795  -1.147  11.837
  480    HE2  TYR  59           HE2      TYR  59   9.551   1.525  10.884
  481    HH   TYR  59           HH       TYR  59  11.552   1.586   9.788
  482    H    LEU  60           H        LEU  60   8.207  -5.080  15.145
  483    HA   LEU  60           HA       LEU  60   5.818  -4.851  16.844
  484   1HB   LEU  60          2HB       LEU  60   7.845  -7.002  16.145
  485   2HB   LEU  60          3HB       LEU  60   6.741  -7.249  17.480
  486    HG   LEU  60           HG       LEU  60   5.553  -6.416  14.832
  487   1HD1  LEU  60          1HD1      LEU  60   7.095  -8.233  14.211
  488   2HD1  LEU  60          2HD1      LEU  60   6.434  -9.257  15.507
  489   3HD1  LEU  60          3HD1      LEU  60   5.411  -8.769  14.131
  490   1HD2  LEU  60          1HD2      LEU  60   4.645  -8.422  16.956
  491   2HD2  LEU  60          2HD2      LEU  60   4.228  -6.710  16.999
  492   3HD2  LEU  60          3HD2      LEU  60   3.674  -7.718  15.646
  493    H    ASP  61           H        ASP  61   5.772  -5.071  19.054
  494    HA   ASP  61           HA       ASP  61   7.945  -4.116  20.722
  495   1HB   ASP  61          2HB       ASP  61   5.530  -3.983  21.296
  496   2HB   ASP  61          3HB       ASP  61   5.424  -5.744  21.319
  497    H    GLU  62           H        GLU  62   9.619  -5.268  21.650
  498    HA   GLU  62           HA       GLU  62  10.328  -7.776  20.505
  499   1HB   GLU  62          2HB       GLU  62  12.250  -7.686  22.042
  500   2HB   GLU  62          3HB       GLU  62  12.031  -6.215  21.122
  501   1HG   GLU  62          2HG       GLU  62  10.818  -6.316  23.889
  502   2HG   GLU  62          3HG       GLU  62  12.570  -6.254  23.751
  503    H    LEU  63           H        LEU  63   8.083  -7.353  23.037
  504    HA   LEU  63           HA       LEU  63   8.571 -10.080  24.100
  505   1HB   LEU  63          2HB       LEU  63   8.038  -8.091  25.529
  506   2HB   LEU  63          3HB       LEU  63   6.442  -8.025  24.810
  507    HG   LEU  63           HG       LEU  63   7.145 -10.707  25.912
  508   1HD1  LEU  63          1HD1      LEU  63   8.332  -9.326  27.553
  509   2HD1  LEU  63          2HD1      LEU  63   6.879  -8.331  27.795
  510   3HD1  LEU  63          3HD1      LEU  63   6.880 -10.048  28.266
  511   1HD2  LEU  63          1HD2      LEU  63   4.816  -8.805  26.473
  512   2HD2  LEU  63          2HD2      LEU  63   4.827 -10.043  25.205
  513   3HD2  LEU  63          3HD2      LEU  63   4.905 -10.530  26.904
  514    H    SER  64           H        SER  64   7.009  -8.799  21.352
  515    HA   SER  64           HA       SER  64   4.941 -10.968  21.360
  516   1HB   SER  64          2HB       SER  64   4.117  -8.636  21.130
  517   2HB   SER  64          3HB       SER  64   5.012  -8.504  19.601
  518    HG   SER  64           HG       SER  64   2.533  -9.518  19.996
  519    H    ASP  65           H        ASP  65   4.408 -11.710  19.072
  520    HA   ASP  65           HA       ASP  65   6.688 -12.376  17.375
  521   1HB   ASP  65          2HB       ASP  65   7.101 -13.771  19.401
  522   2HB   ASP  65          3HB       ASP  65   5.520 -14.523  19.202
  523    H    ALA  66           H        ALA  66   5.438 -11.749  15.664
  524    HA   ALA  66           HA       ALA  66   2.789 -12.964  15.170
  525   1HB   ALA  66          1HB       ALA  66   3.126 -10.484  15.026
  526   2HB   ALA  66          2HB       ALA  66   4.234 -10.758  13.657
  527   3HB   ALA  66          3HB       ALA  66   2.519 -11.207  13.530
  528    H    ASP  67           H        ASP  67   2.494 -13.215  12.531
  529    HA   ASP  67           HA       ASP  67   3.951 -15.592  12.070
  530   1HB   ASP  67          2HB       ASP  67   2.021 -14.086  10.250
  531   2HB   ASP  67          3HB       ASP  67   2.498 -15.769  10.071
  532    HA   PRO  68           HA       PRO  68   7.343 -14.215   9.666
  533   1HB   PRO  68          2HB       PRO  68   8.240 -16.523   8.514
  534   2HB   PRO  68          3HB       PRO  68   8.161 -16.281  10.279
  535   1HG   PRO  68          2HG       PRO  68   6.069 -17.613   8.520
  536   2HG   PRO  68          3HG       PRO  68   6.865 -18.285   9.985
  537   1HD   PRO  68          2HD       PRO  68   4.462 -17.055  10.150
  538   2HD   PRO  68          3HD       PRO  68   5.705 -16.803  11.411
  539    H    GLY  69           H        GLY  69   5.146 -13.354   8.422
  540   1HA   GLY  69          2HA       GLY  69   6.062 -12.552   5.865
  541   2HA   GLY  69          3HA       GLY  69   4.864 -13.827   5.610
  542    H    ILE  70           H        ILE  70   4.129 -11.986   8.470
  543    HA   ILE  70           HA       ILE  70   1.651 -11.326   7.392
  544    HB   ILE  70           HB       ILE  70   2.428 -11.869   9.771
  545   1HG1  ILE  70          2HG1      ILE  70   0.454  -9.581   9.602
  546   2HG1  ILE  70          3HG1      ILE  70   0.101 -11.229   9.056
  547   1HG2  ILE  70          1HG2      ILE  70   4.127 -10.000   9.930
  548   2HG2  ILE  70          2HG2      ILE  70   2.759  -8.859  10.048
  549   3HG2  ILE  70          3HG2      ILE  70   3.010 -10.091  11.290
  550   1HD1  ILE  70          1HD1      ILE  70   0.652 -12.101  11.319
  551   2HD1  ILE  70          2HD1      ILE  70   0.848 -10.434  11.893
  552   3HD1  ILE  70          3HD1      ILE  70  -0.731 -10.996  11.312
  553    H    VAL  71           H        VAL  71   4.545  -9.445   7.291
  554    HA   VAL  71           HA       VAL  71   3.199  -6.903   6.676
  555    HB   VAL  71           HB       VAL  71   6.053  -7.353   5.903
  556   1HG1  VAL  71          1HG1      VAL  71   4.939  -5.188   5.581
  557   2HG1  VAL  71          2HG1      VAL  71   4.619  -5.079   7.327
  558   3HG1  VAL  71          3HG1      VAL  71   6.289  -5.057   6.715
  559   1HG2  VAL  71          1HG2      VAL  71   5.253  -7.233   8.814
  560   2HG2  VAL  71          2HG2      VAL  71   6.202  -8.490   7.976
  561   3HG2  VAL  71          3HG2      VAL  71   6.885  -6.876   8.195
  562    H    ASP  72           H        ASP  72   5.170  -9.358   4.989
  563    HA   ASP  72           HA       ASP  72   5.112  -8.317   2.381
  564   1HB   ASP  72          2HB       ASP  72   6.557 -10.160   3.233
  565   2HB   ASP  72          3HB       ASP  72   5.161 -11.238   3.243
  566    H    GLU  73           H        GLU  73   2.768 -10.553   3.949
  567    HA   GLU  73           HA       GLU  73   1.036 -10.752   1.696
  568   1HB   GLU  73          2HB       GLU  73  -0.523 -11.720   3.119
  569   2HB   GLU  73          3HB       GLU  73   1.062 -12.202   3.762
  570   1HG   GLU  73          2HG       GLU  73   0.908 -10.748   5.577
  571   2HG   GLU  73          3HG       GLU  73  -0.533  -9.953   4.990
  572    H    ALA  74           H        ALA  74   1.357  -8.156   4.053
  573    HA   ALA  74           HA       ALA  74  -1.136  -6.811   3.280
  574   1HB   ALA  74          1HB       ALA  74   0.111  -6.418   5.489
  575   2HB   ALA  74          2HB       ALA  74   1.303  -5.491   4.534
  576   3HB   ALA  74          3HB       ALA  74  -0.373  -4.962   4.585
  577    H    VAL  75           H        VAL  75   2.264  -6.728   2.222
  578    HA   VAL  75           HA       VAL  75   1.851  -4.499   0.409
  579    HB   VAL  75           HB       VAL  75   4.074  -6.536   0.076
  580   1HG1  VAL  75          1HG1      VAL  75   3.638  -4.611  -1.576
  581   2HG1  VAL  75          2HG1      VAL  75   3.995  -3.519  -0.237
  582   3HG1  VAL  75          3HG1      VAL  75   5.251  -4.624  -0.832
  583   1HG2  VAL  75          1HG2      VAL  75   3.795  -4.339   2.176
  584   2HG2  VAL  75          2HG2      VAL  75   4.343  -6.015   2.381
  585   3HG2  VAL  75          3HG2      VAL  75   5.393  -4.867   1.575
  586    H    ASP  76           H        ASP  76   1.978  -8.092  -0.115
  587    HA   ASP  76           HA       ASP  76   1.076  -8.103  -2.800
  588   1HB   ASP  76          2HB       ASP  76   1.865 -10.104  -1.607
  589   2HB   ASP  76          3HB       ASP  76   0.412 -10.082  -0.599
  590    H    ALA  77           H        ALA  77  -0.913  -7.886   0.230
  591    HA   ALA  77           HA       ALA  77  -3.405  -7.837  -1.133
  592   1HB   ALA  77          1HB       ALA  77  -3.199  -8.143   1.305
  593   2HB   ALA  77          2HB       ALA  77  -2.669  -6.458   1.486
  594   3HB   ALA  77          3HB       ALA  77  -4.305  -6.815   0.910
  595    H    ALA  78           H        ALA  78  -1.222  -5.044  -0.283
  596    HA   ALA  78           HA       ALA  78  -2.827  -3.075  -1.586
  597   1HB   ALA  78          1HB       ALA  78  -0.999  -2.494  -0.099
  598   2HB   ALA  78          2HB       ALA  78   0.219  -3.131  -1.229
  599   3HB   ALA  78          3HB       ALA  78  -0.759  -1.725  -1.670
  600    H    TYR  79           H        TYR  79  -0.258  -5.205  -2.996
  601    HA   TYR  79           HA       TYR  79  -0.473  -4.090  -5.628
  602   1HB   TYR  79          2HB       TYR  79   0.387  -6.839  -4.638
  603   2HB   TYR  79          3HB       TYR  79   0.462  -6.361  -6.318
  604    HD1  TYR  79           HD1      TYR  79   2.456  -6.654  -3.433
  605    HD2  TYR  79           HD2      TYR  79   1.640  -3.976  -6.737
  606    HE1  TYR  79           HE1      TYR  79   4.780  -5.769  -3.325
  607    HE2  TYR  79           HE2      TYR  79   3.930  -3.041  -6.552
  608    HH   TYR  79           HH       TYR  79   5.960  -3.207  -5.512
  609    H    ARG  80           H        ARG  80  -2.236  -6.920  -4.194
  610    HA   ARG  80           HA       ARG  80  -3.743  -7.394  -6.624
  611   1HB   ARG  80          2HB       ARG  80  -4.333  -8.381  -3.818
  612   2HB   ARG  80          3HB       ARG  80  -5.010  -8.996  -5.330
  613   1HG   ARG  80          2HG       ARG  80  -2.180  -9.094  -5.712
  614   2HG   ARG  80          3HG       ARG  80  -2.442  -9.586  -4.042
  615   1HD   ARG  80          2HD       ARG  80  -2.397 -11.540  -5.294
  616   2HD   ARG  80          3HD       ARG  80  -4.099 -11.290  -4.872
  617    HE   ARG  80           HE       ARG  80  -3.665 -10.066  -7.422
  618   1HH1  ARG  80          1HH2      ARG  80  -3.463 -13.320  -6.166
  619   2HH1  ARG  80          2HH2      ARG  80  -3.822 -14.053  -7.715
  620   1HH2  ARG  80          1HH1      ARG  80  -4.121 -10.999  -9.381
  621   2HH2  ARG  80          2HH1      ARG  80  -4.196 -12.739  -9.510
  622    H    SER  81           H        SER  81  -4.394  -5.380  -3.763
  623    HA   SER  81           HA       SER  81  -7.037  -4.582  -4.602
  624   1HB   SER  81          2HB       SER  81  -4.917  -3.228  -2.893
  625   2HB   SER  81          3HB       SER  81  -6.497  -2.503  -3.234
  626    HG   SER  81           HG       SER  81  -7.455  -4.422  -2.356
  627    H    LEU  82           H        LEU  82  -3.743  -3.177  -5.302
  628    HA   LEU  82           HA       LEU  82  -4.690  -1.118  -6.995
  629   1HB   LEU  82          2HB       LEU  82  -2.395  -1.366  -6.028
  630   2HB   LEU  82          3HB       LEU  82  -2.064  -2.647  -7.173
  631    HG   LEU  82           HG       LEU  82  -2.336  -1.090  -9.069
  632   1HD1  LEU  82          1HD1      LEU  82  -3.921   0.554  -8.209
  633   2HD1  LEU  82          2HD1      LEU  82  -2.782   1.049  -6.934
  634   3HD1  LEU  82          3HD1      LEU  82  -2.425   1.372  -8.643
  635   1HD2  LEU  82          1HD2      LEU  82  -0.420  -0.083  -6.925
  636   2HD2  LEU  82          2HD2      LEU  82  -0.124  -1.413  -8.064
  637   3HD2  LEU  82          3HD2      LEU  82  -0.316   0.240  -8.668
  638    H    GLU  83           H        GLU  83  -3.741  -4.470  -7.787
  639    HA   GLU  83           HA       GLU  83  -4.061  -4.489 -10.581
  640   1HB   GLU  83          2HB       GLU  83  -3.108  -6.275  -9.159
  641   2HB   GLU  83          3HB       GLU  83  -4.696  -6.536  -8.433
  642   1HG   GLU  83          2HG       GLU  83  -5.533  -7.346 -10.647
  643   2HG   GLU  83          3HG       GLU  83  -3.883  -7.214 -11.267
  644    H    SER  84           H        SER  84  -6.514  -4.754  -8.025
  645    HA   SER  84           HA       SER  84  -8.764  -5.094  -9.884
  646   1HB   SER  84          2HB       SER  84  -8.841  -4.399  -6.921
  647   2HB   SER  84          3HB       SER  84 -10.109  -5.153  -7.903
  648    HG   SER  84           HG       SER  84  -7.600  -6.308  -7.079
  649    H    PHE  85           H        PHE  85  -7.326  -2.434  -7.981
  650    HA   PHE  85           HA       PHE  85  -9.365  -0.548  -8.077
  651   1HB   PHE  85          2HB       PHE  85  -7.357  -0.423  -6.683
  652   2HB   PHE  85          3HB       PHE  85  -6.352  -0.201  -8.104
  653    HD1  PHE  85           HD1      PHE  85  -6.430   1.935  -9.405
  654    HD2  PHE  85           HD2      PHE  85  -8.458   1.446  -5.638
  655    HE1  PHE  85           HE1      PHE  85  -6.386   4.393  -9.064
  656    HE2  PHE  85           HE2      PHE  85  -8.413   3.902  -5.292
  657    HZ   PHE  85           HZ       PHE  85  -7.362   5.380  -6.995
  658    H    LEU  86           H        LEU  86  -6.861  -1.114 -10.604
  659    HA   LEU  86           HA       LEU  86  -7.529   1.182 -12.180
  660   1HB   LEU  86          2HB       LEU  86  -6.230  -1.492 -12.807
  661   2HB   LEU  86          3HB       LEU  86  -6.686  -0.419 -14.103
  662    HG   LEU  86           HG       LEU  86  -4.389  -0.082 -13.697
  663   1HD1  LEU  86          1HD1      LEU  86  -5.753   1.981 -14.149
  664   2HD1  LEU  86          2HD1      LEU  86  -5.713   2.333 -12.404
  665   3HD1  LEU  86          3HD1      LEU  86  -4.209   2.273 -13.330
  666   1HD2  LEU  86          1HD2      LEU  86  -4.991   0.539 -10.782
  667   2HD2  LEU  86          2HD2      LEU  86  -4.178  -0.907 -11.418
  668   3HD2  LEU  86          3HD2      LEU  86  -3.414   0.678 -11.583
  669    H    ASP  87           H        ASP  87  -9.197  -1.957 -11.976
  670    HA   ASP  87           HA       ASP  87 -10.741  -1.650 -14.356
  671   1HB   ASP  87          2HB       ASP  87 -11.558  -3.002 -11.760
  672   2HB   ASP  87          3HB       ASP  87 -12.326  -3.196 -13.331
  673    H    GLY  88           H        GLY  88 -11.018  -0.204 -11.127
  674   1HA   GLY  88          2HA       GLY  88 -13.679   0.846 -11.300
  675   2HA   GLY  88          3HA       GLY  88 -12.372   1.405 -10.246
  676    H    PHE  89           H        PHE  89 -10.955   1.730 -13.138
  677    HA   PHE  89           HA       PHE  89 -12.171   4.384 -13.825
  678   1HB   PHE  89          2HB       PHE  89  -9.244   3.585 -13.608
  679   2HB   PHE  89          3HB       PHE  89  -9.816   5.116 -14.263
  680    HD1  PHE  89           HD1      PHE  89  -9.269   3.180 -11.173
  681    HD2  PHE  89           HD2      PHE  89 -10.863   6.830 -12.827
  682    HE1  PHE  89           HE1      PHE  89  -9.469   4.127  -8.897
  683    HE2  PHE  89           HE2      PHE  89 -10.983   7.806 -10.542
  684    HZ   PHE  89           HZ       PHE  89 -10.292   6.451  -8.574
  685    H    ARG  90           H        ARG  90 -11.681   1.317 -15.013
  686    HA   ARG  90           HA       ARG  90 -11.331   2.235 -17.858
  687   1HB   ARG  90          2HB       ARG  90  -9.677   0.161 -16.354
  688   2HB   ARG  90          3HB       ARG  90  -9.704   0.327 -18.105
  689   1HG   ARG  90          2HG       ARG  90  -8.578   2.425 -18.051
  690   2HG   ARG  90          3HG       ARG  90  -8.783   2.595 -16.297
  691   1HD   ARG  90          2HD       ARG  90  -6.465   1.816 -17.036
  692   2HD   ARG  90          3HD       ARG  90  -7.279   0.867 -15.798
  693    HE   ARG  90           HE       ARG  90  -7.582  -0.922 -17.238
  694   1HH1  ARG  90          1HH2      ARG  90  -6.092   1.654 -19.077
  695   2HH1  ARG  90          2HH2      ARG  90  -5.976   0.692 -20.528
  696   1HH2  ARG  90          1HH1      ARG  90  -7.564  -2.056 -19.129
  697   2HH2  ARG  90          2HH1      ARG  90  -6.752  -1.419 -20.526
  698    H    GLU  91           H        GLU  91 -11.777  -0.594 -15.761
  699    HA   GLU  91           HA       GLU  91 -12.491  -2.707 -16.159
  700   1HB   GLU  91          2HB       GLU  91 -14.636  -1.243 -16.155
  701   2HB   GLU  91          3HB       GLU  91 -14.722  -1.599 -17.880
  702   1HG   GLU  91          2HG       GLU  91 -14.810  -4.038 -17.345
  703   2HG   GLU  91          3HG       GLU  91 -14.596  -3.673 -15.635
  Start of MODEL   20
    1    H    MET   1           H1       MET   1 -17.020   6.247  -6.736
    2    HA   MET   1           HA       MET   1 -14.676   6.117  -6.990
    3   1HB   MET   1          2HB       MET   1 -13.656   4.750  -8.726
    4   2HB   MET   1          3HB       MET   1 -14.548   3.739  -7.589
    5   1HG   MET   1          2HG       MET   1 -16.439   3.611  -9.221
    6   2HG   MET   1          3HG       MET   1 -15.495   4.576 -10.365
    7   1HE   MET   1          1HE       MET   1 -16.846   1.749 -11.013
    8   2HE   MET   1          2HE       MET   1 -15.931   2.707 -12.204
    9   3HE   MET   1          3HE       MET   1 -15.550   0.987 -11.961
   10    H    SER   2           H        SER   2 -13.571   7.510  -8.501
   11    HA   SER   2           HA       SER   2 -14.820   8.202 -11.031
   12   1HB   SER   2          2HB       SER   2 -16.064   9.679  -9.442
   13   2HB   SER   2          3HB       SER   2 -14.516  10.386  -8.925
   14    HG   SER   2           HG       SER   2 -15.566  11.565 -10.623
   15    H    LEU   3           H        LEU   3 -13.039   8.031 -12.287
   16    HA   LEU   3           HA       LEU   3 -10.371   8.549 -11.162
   17   1HB   LEU   3          2HB       LEU   3 -11.321   7.293 -13.759
   18   2HB   LEU   3          3HB       LEU   3  -9.622   7.522 -13.353
   19    HG   LEU   3           HG       LEU   3 -11.559   5.876 -11.653
   20   1HD1  LEU   3          1HD1      LEU   3 -11.258   4.831 -13.821
   21   2HD1  LEU   3          2HD1      LEU   3  -9.501   5.019 -13.709
   22   3HD1  LEU   3          3HD1      LEU   3 -10.342   3.924 -12.599
   23   1HD2  LEU   3          1HD2      LEU   3  -9.662   6.658 -10.305
   24   2HD2  LEU   3          2HD2      LEU   3  -9.442   4.946 -10.679
   25   3HD2  LEU   3          3HD2      LEU   3  -8.524   6.161 -11.576
   26    H    ARG   4           H        ARG   4  -8.743   9.614 -12.640
   27    HA   ARG   4           HA       ARG   4  -9.818  12.175 -13.743
   28   1HB   ARG   4          2HB       ARG   4  -7.823  11.780 -11.462
   29   2HB   ARG   4          3HB       ARG   4  -8.194  13.339 -12.172
   30   1HG   ARG   4          2HG       ARG   4 -10.185  11.592 -10.644
   31   2HG   ARG   4          3HG       ARG   4  -9.284  12.935  -9.970
   32   1HD   ARG   4          2HD       ARG   4 -11.213  13.214 -12.312
   33   2HD   ARG   4          3HD       ARG   4 -11.646  13.475 -10.615
   34    HE   ARG   4           HE       ARG   4  -9.381  15.043 -11.052
   35   1HH1  ARG   4          1HH2      ARG   4 -12.658  15.003 -12.274
   36   2HH1  ARG   4          2HH2      ARG   4 -12.713  16.728 -12.531
   37   1HH2  ARG   4          1HH1      ARG   4  -9.477  17.254 -11.392
   38   2HH2  ARG   4          2HH1      ARG   4 -10.919  17.980 -12.035
   39    H    LYS   5           H        LYS   5  -8.042  13.582 -14.539
   40    HA   LYS   5           HA       LYS   5  -5.964  12.215 -16.131
   41   1HB   LYS   5          2HB       LYS   5  -6.730  15.113 -15.552
   42   2HB   LYS   5          3HB       LYS   5  -5.119  14.733 -16.135
   43   1HG   LYS   5          2HG       LYS   5  -6.431  15.370 -17.998
   44   2HG   LYS   5          3HG       LYS   5  -6.026  13.659 -18.146
   45   1HD   LYS   5          2HD       LYS   5  -8.306  13.029 -17.462
   46   2HD   LYS   5          3HD       LYS   5  -8.710  14.743 -17.176
   47   1HE   LYS   5          2HE       LYS   5  -8.230  15.248 -19.559
   48   2HE   LYS   5          3HE       LYS   5  -7.821  13.552 -19.844
   49   1HZ   LYS   5          1HZ       LYS   5 -10.099  12.969 -19.270
   50   2HZ   LYS   5          2HZ       LYS   5 -10.480  14.548 -19.002
   51   3HZ   LYS   5          3HZ       LYS   5 -10.086  14.042 -20.515
   52    H    LEU   6           H        LEU   6  -4.207  11.379 -15.095
   53    HA   LEU   6           HA       LEU   6  -3.918  11.815 -12.282
   54   1HB   LEU   6          2HB       LEU   6  -2.173  10.332 -14.290
   55   2HB   LEU   6          3HB       LEU   6  -1.951  10.277 -12.547
   56    HG   LEU   6           HG       LEU   6  -4.428   9.287 -14.019
   57   1HD1  LEU   6          1HD1      LEU   6  -2.418   7.895 -14.392
   58   2HD1  LEU   6          2HD1      LEU   6  -2.183   7.761 -12.635
   59   3HD1  LEU   6          3HD1      LEU   6  -3.621   7.053 -13.404
   60   1HD2  LEU   6          1HD2      LEU   6  -3.670   9.159 -11.066
   61   2HD2  LEU   6          2HD2      LEU   6  -5.072  10.001 -11.776
   62   3HD2  LEU   6          3HD2      LEU   6  -4.993   8.242 -11.807
   63    H    THR   7           H        THR   7  -2.900  13.300 -11.224
   64    HA   THR   7           HA       THR   7  -0.482  14.674 -12.313
   65    HB   THR   7           HB       THR   7  -1.175  16.620 -11.094
   66    HG1  THR   7           1HG      THR   7  -3.389  15.029 -10.143
   67   1HG2  THR   7          1HG2      THR   7  -2.284  16.310 -13.317
   68   2HG2  THR   7          2HG2      THR   7  -3.705  15.665 -12.463
   69   3HG2  THR   7          3HG2      THR   7  -3.182  17.332 -12.173
   70    H    GLU   8           H        GLU   8   0.707  15.759 -10.315
   71    HA   GLU   8           HA       GLU   8   1.800  13.903  -8.521
   72   1HB   GLU   8          2HB       GLU   8   1.348  16.898  -8.229
   73   2HB   GLU   8          3HB       GLU   8   2.419  15.942  -7.197
   74   1HG   GLU   8          2HG       GLU   8   3.885  15.416  -9.046
   75   2HG   GLU   8          3HG       GLU   8   2.766  16.105 -10.224
   76    H    GLY   9           H        GLY   9  -1.235  15.776  -8.177
   77   1HA   GLY   9          2HA       GLY   9  -1.661  15.145  -5.376
   78   2HA   GLY   9          3HA       GLY   9  -2.847  15.770  -6.538
   79    H    ASP  10           H        ASP  10  -2.833  13.710  -8.472
   80    HA   ASP  10           HA       ASP  10  -4.503  11.732  -7.205
   81   1HB   ASP  10          2HB       ASP  10  -3.271  11.568  -9.973
   82   2HB   ASP  10          3HB       ASP  10  -4.758  10.814  -9.395
   83    H    LEU  11           H        LEU  11  -1.123  11.713  -8.411
   84    HA   LEU  11           HA       LEU  11  -0.564   8.977  -7.664
   85   1HB   LEU  11          2HB       LEU  11   1.116  11.383  -8.328
   86   2HB   LEU  11          3HB       LEU  11   1.864   9.958  -7.648
   87    HG   LEU  11           HG       LEU  11   1.183   8.580  -9.485
   88   1HD1  LEU  11          1HD1      LEU  11  -1.000   9.483 -10.138
   89   2HD1  LEU  11          2HD1      LEU  11  -0.202  10.932 -10.798
   90   3HD1  LEU  11          3HD1      LEU  11   0.096   9.339 -11.513
   91   1HD2  LEU  11          1HD2      LEU  11   2.311  11.202 -10.532
   92   2HD2  LEU  11          2HD2      LEU  11   3.240   9.922  -9.722
   93   3HD2  LEU  11          3HD2      LEU  11   2.483   9.602 -11.290
   94    H    ASP  12           H        ASP  12  -0.220  12.067  -5.787
   95    HA   ASP  12           HA       ASP  12   0.747  10.772  -3.427
   96   1HB   ASP  12          2HB       ASP  12   0.792  13.217  -3.832
   97   2HB   ASP  12          3HB       ASP  12  -0.965  13.275  -3.663
   98    H    GLU  13           H        GLU  13  -2.678  11.516  -4.429
   99    HA   GLU  13           HA       GLU  13  -3.884  10.226  -2.204
  100   1HB   GLU  13          2HB       GLU  13  -4.811  10.869  -5.008
  101   2HB   GLU  13          3HB       GLU  13  -5.843   9.928  -3.940
  102   1HG   GLU  13          2HG       GLU  13  -4.697  12.606  -3.062
  103   2HG   GLU  13          3HG       GLU  13  -6.190  12.470  -3.989
  104    H    ILE  14           H        ILE  14  -2.918   8.734  -5.359
  105    HA   ILE  14           HA       ILE  14  -3.844   6.096  -4.641
  106    HB   ILE  14           HB       ILE  14  -1.754   7.136  -6.563
  107   1HG1  ILE  14          2HG1      ILE  14  -4.396   5.659  -7.000
  108   2HG1  ILE  14          3HG1      ILE  14  -4.243   7.410  -7.004
  109   1HG2  ILE  14          1HG2      ILE  14  -0.874   4.951  -5.899
  110   2HG2  ILE  14          2HG2      ILE  14  -2.474   4.204  -6.116
  111   3HG2  ILE  14          3HG2      ILE  14  -1.551   4.819  -7.505
  112   1HD1  ILE  14          1HD1      ILE  14  -4.286   6.721  -9.283
  113   2HD1  ILE  14          2HD1      ILE  14  -2.616   7.208  -8.939
  114   3HD1  ILE  14          3HD1      ILE  14  -3.056   5.481  -9.034
  115    H    SER  15           H        SER  15  -0.679   7.729  -4.122
  116    HA   SER  15           HA       SER  15   0.598   5.490  -2.885
  117   1HB   SER  15          2HB       SER  15   1.173   8.444  -2.426
  118   2HB   SER  15          3HB       SER  15   2.271   7.074  -2.145
  119    HG   SER  15           HG       SER  15   1.265   8.090  -4.604
  120    H    SER  16           H        SER  16  -1.257   8.194  -1.504
  121    HA   SER  16           HA       SER  16  -1.197   7.476   1.253
  122   1HB   SER  16          2HB       SER  16  -1.874   9.673   0.385
  123   2HB   SER  16          3HB       SER  16  -3.257   8.941  -0.443
  124    HG   SER  16           HG       SER  16  -3.980   9.781   1.439
  125    H    PHE  17           H        PHE  17  -3.593   6.624  -1.343
  126    HA   PHE  17           HA       PHE  17  -5.287   5.008   0.263
  127   1HB   PHE  17          2HB       PHE  17  -6.068   5.700  -1.852
  128   2HB   PHE  17          3HB       PHE  17  -4.618   5.173  -2.675
  129    HD1  PHE  17           HD1      PHE  17  -4.778   3.322  -4.052
  130    HD2  PHE  17           HD2      PHE  17  -7.350   3.598  -0.599
  131    HE1  PHE  17           HE1      PHE  17  -5.857   1.174  -4.682
  132    HE2  PHE  17           HE2      PHE  17  -8.426   1.452  -1.235
  133    HZ   PHE  17           HZ       PHE  17  -7.694   0.252  -3.284
  134    H    LEU  18           H        LEU  18  -2.357   4.085  -1.609
  135    HA   LEU  18           HA       LEU  18  -2.470   1.304  -0.878
  136   1HB   LEU  18          2HB       LEU  18  -0.214   3.116  -1.814
  137   2HB   LEU  18          3HB       LEU  18  -0.029   1.369  -1.623
  138    HG   LEU  18           HG       LEU  18  -2.172   2.590  -3.420
  139   1HD1  LEU  18          1HD1      LEU  18   0.011   3.355  -4.208
  140   2HD1  LEU  18          2HD1      LEU  18   0.633   1.688  -4.183
  141   3HD1  LEU  18          3HD1      LEU  18  -0.664   2.157  -5.308
  142   1HD2  LEU  18          1HD2      LEU  18  -0.922  -0.172  -3.499
  143   2HD2  LEU  18          2HD2      LEU  18  -2.475   0.197  -2.714
  144   3HD2  LEU  18          3HD2      LEU  18  -2.295   0.462  -4.434
  145    H    HIS  19           H        HIS  19  -0.579   4.035   0.568
  146    HA   HIS  19           HA       HIS  19   0.586   2.553   2.678
  147   1HB   HIS  19          2HB       HIS  19   1.278   4.804   2.112
  148   2HB   HIS  19          3HB       HIS  19  -0.320   5.447   2.475
  149    HD1  HIS  19           HD1      HIS  19   0.909   7.134   4.203
  150    HD2  HIS  19           HD2      HIS  19   1.107   3.044   5.121
  151    HE1  HIS  19           HE1      HIS  19   1.650   6.962   6.646
  152    H    ASN  20           H        ASN  20  -2.574   4.320   2.665
  153    HA   ASN  20           HA       ASN  20  -3.368   3.509   5.269
  154   1HB   ASN  20          2HB       ASN  20  -4.444   5.327   3.982
  155   2HB   ASN  20          3HB       ASN  20  -5.093   4.149   2.829
  156   1HD2  ASN  20          2HD2      ASN  20  -6.779   2.718   3.542
  157   2HD2  ASN  20          1HD2      ASN  20  -7.331   2.689   5.198
  158    H    THR  21           H        THR  21  -3.844   1.857   2.105
  159    HA   THR  21           HA       THR  21  -5.522  -0.235   3.052
  160    HB   THR  21           HB       THR  21  -3.514  -0.270   0.748
  161    HG1  THR  21           1HG      THR  21  -5.023   1.325   0.457
  162   1HG2  THR  21          1HG2      THR  21  -4.207  -2.568   1.221
  163   2HG2  THR  21          2HG2      THR  21  -5.912  -2.069   1.334
  164   3HG2  THR  21          3HG2      THR  21  -5.047  -1.986  -0.217
  165    H    ILE  22           H        ILE  22  -1.916  -0.155   2.782
  166    HA   ILE  22           HA       ILE  22  -1.521  -2.767   3.955
  167    HB   ILE  22           HB       ILE  22   0.282  -0.327   3.888
  168   1HG1  ILE  22          2HG1      ILE  22   0.131  -2.747   2.048
  169   2HG1  ILE  22          3HG1      ILE  22  -0.332  -1.096   1.646
  170   1HG2  ILE  22          1HG2      ILE  22   0.954  -2.127   5.620
  171   2HG2  ILE  22          2HG2      ILE  22   1.216  -3.205   4.235
  172   3HG2  ILE  22          3HG2      ILE  22   2.161  -1.737   4.410
  173   1HD1  ILE  22          1HD1      ILE  22   2.114  -0.459   2.246
  174   2HD1  ILE  22          2HD1      ILE  22   2.420  -2.204   2.095
  175   3HD1  ILE  22          3HD1      ILE  22   1.764  -1.297   0.700
  176    H    SER  23           H        SER  23  -1.635   0.540   5.411
  177    HA   SER  23           HA       SER  23  -1.075  -0.221   8.080
  178   1HB   SER  23          2HB       SER  23  -1.070   2.092   7.252
  179   2HB   SER  23          3HB       SER  23  -2.836   2.044   7.068
  180    HG   SER  23           HG       SER  23  -2.106   2.970   9.068
  181    H    ASP  24           H        ASP  24  -4.352   0.176   6.552
  182    HA   ASP  24           HA       ASP  24  -5.824  -0.897   8.761
  183   1HB   ASP  24          2HB       ASP  24  -6.356  -0.723   5.767
  184   2HB   ASP  24          3HB       ASP  24  -7.470  -1.557   6.830
  185    H    PHE  25           H        PHE  25  -4.256  -2.636   5.971
  186    HA   PHE  25           HA       PHE  25  -5.390  -5.165   6.652
  187   1HB   PHE  25          2HB       PHE  25  -4.221  -4.540   4.508
  188   2HB   PHE  25          3HB       PHE  25  -2.684  -4.646   5.353
  189    HD1  PHE  25           HD1      PHE  25  -5.285  -6.456   3.611
  190    HD2  PHE  25           HD2      PHE  25  -1.987  -6.922   6.350
  191    HE1  PHE  25           HE1      PHE  25  -5.302  -8.905   3.221
  192    HE2  PHE  25           HE2      PHE  25  -1.947  -9.352   5.877
  193    HZ   PHE  25           HZ       PHE  25  -3.656 -10.361   4.381
  194    H    ILE  26           H        ILE  26  -2.256  -3.655   7.708
  195    HA   ILE  26           HA       ILE  26  -1.454  -5.811   9.387
  196    HB   ILE  26           HB       ILE  26  -0.814  -2.839   9.271
  197   1HG1  ILE  26          2HG1      ILE  26   0.867  -5.297   8.554
  198   2HG1  ILE  26          3HG1      ILE  26  -0.089  -4.404   7.381
  199   1HG2  ILE  26          1HG2      ILE  26  -0.485  -3.565  11.577
  200   2HG2  ILE  26          2HG2      ILE  26   0.441  -4.983  11.028
  201   3HG2  ILE  26          3HG2      ILE  26   1.069  -3.330  10.807
  202   1HD1  ILE  26          1HD1      ILE  26   1.223  -2.327   7.936
  203   2HD1  ILE  26          2HD1      ILE  26   2.306  -3.340   8.911
  204   3HD1  ILE  26          3HD1      ILE  26   2.155  -3.640   7.179
  205    H    LEU  27           H        LEU  27  -3.212  -2.729  10.190
  206    HA   LEU  27           HA       LEU  27  -3.622  -3.425  12.929
  207   1HB   LEU  27          2HB       LEU  27  -4.674  -1.336  11.033
  208   2HB   LEU  27          3HB       LEU  27  -5.629  -1.660  12.463
  209    HG   LEU  27           HG       LEU  27  -3.731  -1.269  13.926
  210   1HD1  LEU  27          1HD1      LEU  27  -1.809  -1.803  12.499
  211   2HD1  LEU  27          2HD1      LEU  27  -2.192  -0.426  11.437
  212   3HD1  LEU  27          3HD1      LEU  27  -1.677  -0.156  13.117
  213   1HD2  LEU  27          1HD2      LEU  27  -4.205   1.036  12.007
  214   2HD2  LEU  27          2HD2      LEU  27  -5.274   0.563  13.352
  215   3HD2  LEU  27          3HD2      LEU  27  -3.639   1.150  13.693
  216    H    LYS  28           H        LYS  28  -5.192  -4.811  10.238
  217    HA   LYS  28           HA       LYS  28  -7.347  -5.881  12.025
  218   1HB   LYS  28          2HB       LYS  28  -7.294  -5.510   9.012
  219   2HB   LYS  28          3HB       LYS  28  -8.598  -6.313   9.898
  220   1HG   LYS  28          2HG       LYS  28  -9.179  -4.319  11.110
  221   2HG   LYS  28          3HG       LYS  28  -7.712  -3.492  10.606
  222   1HD   LYS  28          2HD       LYS  28  -8.591  -3.673   8.194
  223   2HD   LYS  28          3HD       LYS  28 -10.171  -4.044   8.937
  224   1HE   LYS  28          2HE       LYS  28 -10.010  -1.949  10.287
  225   2HE   LYS  28          3HE       LYS  28  -8.378  -1.682   9.663
  226   1HZ   LYS  28          1HZ       LYS  28  -9.588  -1.706   7.398
  227   2HZ   LYS  28          2HZ       LYS  28 -10.889  -1.193   8.294
  228   3HZ   LYS  28          3HZ       LYS  28  -9.428  -0.369   8.306
  229    H    ARG  29           H        ARG  29  -4.385  -6.785  10.887
  230    HA   ARG  29           HA       ARG  29  -5.129  -9.661  11.327
  231   1HB   ARG  29          2HB       ARG  29  -4.198  -8.825   9.010
  232   2HB   ARG  29          3HB       ARG  29  -2.647  -8.787   9.850
  233   1HG   ARG  29          2HG       ARG  29  -3.110 -11.246  10.479
  234   2HG   ARG  29          3HG       ARG  29  -4.495 -11.175   9.366
  235   1HD   ARG  29          2HD       ARG  29  -2.942 -10.383   7.574
  236   2HD   ARG  29          3HD       ARG  29  -1.584 -10.596   8.669
  237    HE   ARG  29           HE       ARG  29  -2.488 -12.473   6.904
  238   1HH1  ARG  29          1HH2      ARG  29  -2.124 -12.720  10.419
  239   2HH1  ARG  29          2HH2      ARG  29  -1.495 -14.336  10.308
  240   1HH2  ARG  29          1HH1      ARG  29  -1.483 -14.394   6.846
  241   2HH2  ARG  29          2HH1      ARG  29  -1.309 -15.331   8.316
  242    H    VAL  30           H        VAL  30  -3.245  -7.011  12.534
  243    HA   VAL  30           HA       VAL  30  -2.272  -8.662  14.802
  244    HB   VAL  30           HB       VAL  30  -0.588  -6.563  13.356
  245   1HG1  VAL  30          1HG1      VAL  30  -0.029  -6.711  15.744
  246   2HG1  VAL  30          2HG1      VAL  30   0.073  -8.483  15.640
  247   3HG1  VAL  30          3HG1      VAL  30   1.254  -7.458  14.801
  248   1HG2  VAL  30          1HG2      VAL  30  -0.282  -9.593  13.323
  249   2HG2  VAL  30          2HG2      VAL  30  -0.651  -8.540  11.936
  250   3HG2  VAL  30          3HG2      VAL  30   0.925  -8.434  12.718
  251    H    SER  31           H        SER  31  -2.083  -7.307  16.799
  252    HA   SER  31           HA       SER  31  -4.069  -5.094  16.633
  253   1HB   SER  31          2HB       SER  31  -4.501  -7.049  18.111
  254   2HB   SER  31          3HB       SER  31  -3.055  -6.630  19.041
  255    HG   SER  31           HG       SER  31  -5.472  -5.198  18.755
  256    H    ALA  32           H        ALA  32  -3.613  -3.069  17.102
  257    HA   ALA  32           HA       ALA  32  -1.157  -1.903  17.209
  258   1HB   ALA  32          1HB       ALA  32  -3.218  -0.721  16.702
  259   2HB   ALA  32          2HB       ALA  32  -3.753  -0.874  18.398
  260   3HB   ALA  32          3HB       ALA  32  -2.332   0.111  17.990
  261    H    LYS  33           H        LYS  33  -2.672  -3.450  19.981
  262    HA   LYS  33           HA       LYS  33  -1.092  -2.197  22.042
  263   1HB   LYS  33          2HB       LYS  33  -1.813  -3.973  23.448
  264   2HB   LYS  33          3HB       LYS  33  -3.176  -3.505  22.414
  265   1HG   LYS  33          2HG       LYS  33  -2.625  -5.467  20.935
  266   2HG   LYS  33          3HG       LYS  33  -1.379  -5.938  22.106
  267   1HD   LYS  33          2HD       LYS  33  -3.039  -6.294  23.840
  268   2HD   LYS  33          3HD       LYS  33  -4.321  -5.639  22.810
  269   1HE   LYS  33          2HE       LYS  33  -4.410  -8.094  22.875
  270   2HE   LYS  33          3HE       LYS  33  -4.111  -7.477  21.240
  271   1HZ   LYS  33          1HZ       LYS  33  -1.827  -8.022  21.422
  272   2HZ   LYS  33          2HZ       LYS  33  -1.946  -8.466  23.002
  273   3HZ   LYS  33          3HZ       LYS  33  -2.664  -9.363  21.805
  274    H    GLU  34           H        GLU  34  -0.272  -4.697  19.741
  275    HA   GLU  34           HA       GLU  34   2.401  -4.985  21.089
  276   1HB   GLU  34          2HB       GLU  34   2.752  -7.015  19.898
  277   2HB   GLU  34          3HB       GLU  34   1.340  -7.134  20.904
  278   1HG   GLU  34          2HG       GLU  34   0.970  -6.402  17.976
  279   2HG   GLU  34          3HG       GLU  34   1.513  -8.028  18.353
  280    H    ILE  35           H        ILE  35   0.946  -3.612  18.295
  281    HA   ILE  35           HA       ILE  35   3.405  -3.412  16.708
  282    HB   ILE  35           HB       ILE  35   0.848  -1.771  16.635
  283   1HG1  ILE  35          2HG1      ILE  35   0.371  -4.144  16.107
  284   2HG1  ILE  35          3HG1      ILE  35   0.107  -3.070  14.748
  285   1HG2  ILE  35          1HG2      ILE  35   2.561  -0.485  15.586
  286   2HG2  ILE  35          2HG2      ILE  35   3.162  -1.884  14.669
  287   3HG2  ILE  35          3HG2      ILE  35   1.565  -1.183  14.310
  288   1HD1  ILE  35          1HD1      ILE  35   2.277  -3.764  13.777
  289   2HD1  ILE  35          2HD1      ILE  35   2.524  -4.889  15.135
  290   3HD1  ILE  35          3HD1      ILE  35   1.177  -5.119  14.002
  291    H    VAL  36           H        VAL  36   5.101  -2.250  17.404
  292    HA   VAL  36           HA       VAL  36   4.841   0.035  19.270
  293    HB   VAL  36           HB       VAL  36   7.150  -1.299  17.808
  294   1HG1  VAL  36          1HG1      VAL  36   7.704   1.050  17.645
  295   2HG1  VAL  36          2HG1      VAL  36   7.267   1.322  19.351
  296   3HG1  VAL  36          3HG1      VAL  36   8.678   0.322  18.925
  297   1HG2  VAL  36          1HG2      VAL  36   6.639  -0.715  20.760
  298   2HG2  VAL  36          2HG2      VAL  36   6.256  -2.245  19.954
  299   3HG2  VAL  36          3HG2      VAL  36   7.944  -1.710  20.072
  300    H    ASP  37           H        ASP  37   5.677  -0.530  15.807
  301    HA   ASP  37           HA       ASP  37   4.090   1.710  15.020
  302   1HB   ASP  37          2HB       ASP  37   6.541   2.610  15.848
  303   2HB   ASP  37          3HB       ASP  37   6.921   2.247  14.174
  304    H    ILE  38           H        ILE  38   4.589   2.270  12.603
  305    HA   ILE  38           HA       ILE  38   5.619  -0.011  11.024
  306    HB   ILE  38           HB       ILE  38   3.712   0.264   9.384
  307   1HG1  ILE  38          2HG1      ILE  38   2.223   1.488  11.753
  308   2HG1  ILE  38          3HG1      ILE  38   2.726   2.356  10.303
  309   1HG2  ILE  38          1HG2      ILE  38   4.034  -1.702  10.825
  310   2HG2  ILE  38          2HG2      ILE  38   2.980  -0.976  12.058
  311   3HG2  ILE  38          3HG2      ILE  38   2.340  -1.408  10.452
  312   1HD1  ILE  38          1HD1      ILE  38   1.282   0.819   8.930
  313   2HD1  ILE  38          2HD1      ILE  38   0.661   0.129  10.450
  314   3HD1  ILE  38          3HD1      ILE  38   0.405   1.840  10.086
  315    H    ASP  39           H        ASP  39   6.587   0.575   9.147
  316    HA   ASP  39           HA       ASP  39   6.522   3.474   8.375
  317   1HB   ASP  39          2HB       ASP  39   8.948   1.716   8.800
  318   2HB   ASP  39          3HB       ASP  39   8.969   3.068   7.668
  319    H    ILE  40           H        ILE  40   5.776   3.700   6.405
  320    HA   ILE  40           HA       ILE  40   6.123   1.502   4.421
  321    HB   ILE  40           HB       ILE  40   3.588   2.929   5.245
  322   1HG1  ILE  40          2HG1      ILE  40   3.973  -0.036   4.784
  323   2HG1  ILE  40          3HG1      ILE  40   4.480   0.664   6.322
  324   1HG2  ILE  40          1HG2      ILE  40   3.580   2.962   2.797
  325   2HG2  ILE  40          2HG2      ILE  40   4.117   1.261   2.733
  326   3HG2  ILE  40          3HG2      ILE  40   2.501   1.675   3.324
  327   1HD1  ILE  40          1HD1      ILE  40   2.188   1.471   6.725
  328   2HD1  ILE  40          2HD1      ILE  40   1.678   0.702   5.199
  329   3HD1  ILE  40          3HD1      ILE  40   2.299  -0.295   6.532
  330    H    THR  41           H        THR  41   6.875   2.117   2.594
  331    HA   THR  41           HA       THR  41   6.782   4.988   1.747
  332    HB   THR  41           HB       THR  41   9.047   2.985   1.401
  333    HG1  THR  41           1HG      THR  41   8.727   4.127   3.432
  334   1HG2  THR  41          1HG2      THR  41   8.919   4.396  -0.596
  335   2HG2  THR  41          2HG2      THR  41   8.756   5.859   0.408
  336   3HG2  THR  41          3HG2      THR  41  10.270   4.928   0.415
  337    H    VAL  42           H        VAL  42   5.580   5.194   0.000
  338    HA   VAL  42           HA       VAL  42   5.456   2.990  -2.012
  339    HB   VAL  42           HB       VAL  42   3.299   5.031  -1.332
  340   1HG1  VAL  42          1HG1      VAL  42   3.287   4.619  -3.729
  341   2HG1  VAL  42          2HG1      VAL  42   3.456   2.867  -3.480
  342   3HG1  VAL  42          3HG1      VAL  42   1.966   3.701  -3.005
  343   1HG2  VAL  42          1HG2      VAL  42   3.345   1.997  -1.006
  344   2HG2  VAL  42          2HG2      VAL  42   3.383   3.187   0.312
  345   3HG2  VAL  42          3HG2      VAL  42   1.950   3.061  -0.704
  346    H    LEU  43           H        LEU  43   6.323   3.516  -3.902
  347    HA   LEU  43           HA       LEU  43   6.810   6.405  -4.554
  348   1HB   LEU  43          2HB       LEU  43   8.530   3.980  -5.211
  349   2HB   LEU  43          3HB       LEU  43   8.831   5.625  -5.772
  350    HG   LEU  43           HG       LEU  43   8.814   4.757  -2.856
  351   1HD1  LEU  43          1HD1      LEU  43  10.685   3.759  -4.101
  352   2HD1  LEU  43          2HD1      LEU  43  11.158   5.367  -4.699
  353   3HD1  LEU  43          3HD1      LEU  43  11.259   4.988  -2.962
  354   1HD2  LEU  43          1HD2      LEU  43   9.659   7.390  -4.134
  355   2HD2  LEU  43          2HD2      LEU  43   8.276   7.135  -3.041
  356   3HD2  LEU  43          3HD2      LEU  43   9.920   6.942  -2.433
  357    H    VAL  44           H        VAL  44   6.150   7.066  -6.503
  358    HA   VAL  44           HA       VAL  44   5.266   5.099  -8.515
  359    HB   VAL  44           HB       VAL  44   3.291   5.441  -7.180
  360   1HG1  VAL  44          1HG1      VAL  44   3.688   7.614  -6.163
  361   2HG1  VAL  44          2HG1      VAL  44   3.545   8.413  -7.742
  362   3HG1  VAL  44          3HG1      VAL  44   2.141   7.599  -7.005
  363   1HG2  VAL  44          1HG2      VAL  44   3.026   6.924  -9.824
  364   2HG2  VAL  44          2HG2      VAL  44   3.072   5.157  -9.632
  365   3HG2  VAL  44          3HG2      VAL  44   1.741   6.091  -8.925
  366    H    GLU  45           H        GLU  45   5.716   5.650 -10.526
  367    HA   GLU  45           HA       GLU  45   6.510   8.428 -11.237
  368   1HB   GLU  45          2HB       GLU  45   8.228   5.917 -11.502
  369   2HB   GLU  45          3HB       GLU  45   8.558   7.450 -12.313
  370   1HG   GLU  45          2HG       GLU  45   8.687   8.573 -10.069
  371   2HG   GLU  45          3HG       GLU  45   8.549   6.981  -9.307
  372    H    TYR  46           H        TYR  46   6.773   8.721 -13.556
  373    HA   TYR  46           HA       TYR  46   5.640   6.611 -15.290
  374   1HB   TYR  46          2HB       TYR  46   3.859   8.300 -14.538
  375   2HB   TYR  46          3HB       TYR  46   4.685   9.477 -15.541
  376    HD1  TYR  46           HD1      TYR  46   2.138   7.068 -15.435
  377    HD2  TYR  46           HD2      TYR  46   5.177   8.600 -18.081
  378    HE1  TYR  46           HE1      TYR  46   0.888   6.173 -17.375
  379    HE2  TYR  46           HE2      TYR  46   3.953   7.643 -20.031
  380    HH   TYR  46           HH       TYR  46   0.877   5.879 -19.659
  381    H    THR  47           H        THR  47   7.482   6.168 -16.348
  382    HA   THR  47           HA       THR  47   8.852   8.375 -17.849
  383    HB   THR  47           HB       THR  47  11.031   7.392 -17.413
  384    HG1  THR  47           1HG      THR  47  10.140   5.309 -17.014
  385   1HG2  THR  47          1HG2      THR  47  10.228   9.163 -15.835
  386   2HG2  THR  47          2HG2      THR  47   9.651   7.884 -14.741
  387   3HG2  THR  47          3HG2      THR  47  11.379   8.028 -15.099
  388    H    ASP  48           H        ASP  48   7.481   7.661 -19.529
  389    HA   ASP  48           HA       ASP  48   6.746   6.540 -21.322
  390   1HB   ASP  48          2HB       ASP  48   9.216   6.362 -21.839
  391   2HB   ASP  48          3HB       ASP  48   9.164   4.719 -21.193
  392    H    GLU  49           H        GLU  49   7.927   4.339 -18.826
  393    HA   GLU  49           HA       GLU  49   5.530   2.591 -18.967
  394   1HB   GLU  49          2HB       GLU  49   7.935   1.714 -18.786
  395   2HB   GLU  49          3HB       GLU  49   8.038   2.529 -17.224
  396   1HG   GLU  49          2HG       GLU  49   5.964   1.067 -16.584
  397   2HG   GLU  49          3HG       GLU  49   6.365   0.123 -18.012
  398    H    LEU  50           H        LEU  50   4.072   2.538 -17.213
  399    HA   LEU  50           HA       LEU  50   4.172   4.662 -15.126
  400   1HB   LEU  50          2HB       LEU  50   1.967   4.304 -16.055
  401   2HB   LEU  50          3HB       LEU  50   2.149   2.554 -15.992
  402    HG   LEU  50           HG       LEU  50   2.033   2.577 -13.529
  403   1HD1  LEU  50          1HD1      LEU  50   2.926   4.855 -13.059
  404   2HD1  LEU  50          2HD1      LEU  50   1.442   5.556 -13.743
  405   3HD1  LEU  50          3HD1      LEU  50   1.379   4.551 -12.278
  406   1HD2  LEU  50          1HD2      LEU  50  -0.271   4.055 -14.843
  407   2HD2  LEU  50          2HD2      LEU  50  -0.005   2.291 -14.844
  408   3HD2  LEU  50          3HD2      LEU  50  -0.325   3.131 -13.322
  409    H    LYS  51           H        LYS  51   5.313   4.177 -13.299
  410    HA   LYS  51           HA       LYS  51   5.702   1.289 -12.625
  411   1HB   LYS  51          2HB       LYS  51   7.574   2.663 -13.926
  412   2HB   LYS  51          3HB       LYS  51   7.961   3.267 -12.308
  413   1HG   LYS  51          2HG       LYS  51   8.258   0.929 -11.518
  414   2HG   LYS  51          3HG       LYS  51   7.700   0.324 -13.084
  415   1HD   LYS  51          2HD       LYS  51   9.686   1.637 -14.126
  416   2HD   LYS  51          3HD       LYS  51  10.270   1.819 -12.466
  417   1HE   LYS  51          2HE       LYS  51  11.386  -0.090 -13.311
  418   2HE   LYS  51          3HE       LYS  51  10.108  -0.733 -12.266
  419   1HZ   LYS  51          1HZ       LYS  51   8.752  -1.030 -14.369
  420   2HZ   LYS  51          2HZ       LYS  51   9.894  -0.481 -15.246
  421   3HZ   LYS  51          3HZ       LYS  51  10.166  -1.908 -14.427
  422    H    VAL  52           H        VAL  52   5.569   0.742 -10.557
  423    HA   VAL  52           HA       VAL  52   5.417   2.809  -8.460
  424    HB   VAL  52           HB       VAL  52   3.144   2.558  -9.132
  425   1HG1  VAL  52          1HG1      VAL  52   3.215   0.404 -10.308
  426   2HG1  VAL  52          2HG1      VAL  52   3.397  -0.451  -8.754
  427   3HG1  VAL  52          3HG1      VAL  52   1.916   0.448  -9.137
  428   1HG2  VAL  52          1HG2      VAL  52   3.453   0.921  -6.579
  429   2HG2  VAL  52          2HG2      VAL  52   3.562   2.695  -6.682
  430   3HG2  VAL  52          3HG2      VAL  52   2.053   1.875  -7.093
  431    H    ASP  53           H        ASP  53   6.149   2.164  -6.489
  432    HA   ASP  53           HA       ASP  53   6.825  -0.691  -6.079
  433   1HB   ASP  53          2HB       ASP  53   8.874   0.434  -6.938
  434   2HB   ASP  53          3HB       ASP  53   8.788   1.582  -5.593
  435    H    ILE  54           H        ILE  54   7.014  -1.292  -3.928
  436    HA   ILE  54           HA       ILE  54   5.672   0.462  -1.934
  437    HB   ILE  54           HB       ILE  54   4.659  -2.286  -2.782
  438   1HG1  ILE  54          2HG1      ILE  54   3.445   0.508  -2.972
  439   2HG1  ILE  54          3HG1      ILE  54   3.909  -0.539  -4.311
  440   1HG2  ILE  54          1HG2      ILE  54   4.591  -1.969  -0.302
  441   2HG2  ILE  54          2HG2      ILE  54   3.658  -0.476  -0.539
  442   3HG2  ILE  54          3HG2      ILE  54   2.993  -2.063  -1.016
  443   1HD1  ILE  54          1HD1      ILE  54   2.133  -2.170  -3.590
  444   2HD1  ILE  54          2HD1      ILE  54   1.576  -0.948  -2.413
  445   3HD1  ILE  54          3HD1      ILE  54   1.550  -0.592  -4.161
  446    H    SER  55           H        SER  55   6.905   0.448  -0.176
  447    HA   SER  55           HA       SER  55   8.168  -2.131   0.696
  448   1HB   SER  55          2HB       SER  55   9.871  -0.604  -0.229
  449   2HB   SER  55          3HB       SER  55   9.341   0.667   0.896
  450    HG   SER  55           HG       SER  55  11.124  -0.566   1.697
  451    H    ALA  56           H        ALA  56   7.611  -2.713   2.721
  452    HA   ALA  56           HA       ALA  56   6.511  -0.696   4.597
  453   1HB   ALA  56          1HB       ALA  56   4.608  -1.797   3.475
  454   2HB   ALA  56          2HB       ALA  56   5.243  -3.388   3.946
  455   3HB   ALA  56          3HB       ALA  56   4.691  -2.240   5.192
  456    H    GLU  57           H        GLU  57   7.195  -0.905   6.634
  457    HA   GLU  57           HA       GLU  57   8.567  -3.400   7.501
  458   1HB   GLU  57          2HB       GLU  57  10.207  -1.647   7.000
  459   2HB   GLU  57          3HB       GLU  57   9.341  -0.505   8.025
  460   1HG   GLU  57          2HG       GLU  57  11.324  -1.339   9.140
  461   2HG   GLU  57          3HG       GLU  57   9.882  -1.827  10.024
  462    H    LEU  58           H        LEU  58   8.328  -3.965   9.618
  463    HA   LEU  58           HA       LEU  58   5.847  -2.930  10.946
  464   1HB   LEU  58          2HB       LEU  58   5.376  -4.788   9.423
  465   2HB   LEU  58          3HB       LEU  58   6.656  -5.754  10.153
  466    HG   LEU  58           HG       LEU  58   5.383  -5.835  12.274
  467   1HD1  LEU  58          1HD1      LEU  58   3.294  -4.328  10.671
  468   2HD1  LEU  58          2HD1      LEU  58   2.942  -5.213  12.161
  469   3HD1  LEU  58          3HD1      LEU  58   4.045  -3.825  12.205
  470   1HD2  LEU  58          1HD2      LEU  58   3.787  -6.748   9.848
  471   2HD2  LEU  58          2HD2      LEU  58   5.148  -7.625  10.589
  472   3HD2  LEU  58          3HD2      LEU  58   3.651  -7.389  11.501
  473    H    TYR  59           H        TYR  59   6.599  -2.087  12.886
  474    HA   TYR  59           HA       TYR  59   8.716  -3.608  14.311
  475   1HB   TYR  59          2HB       TYR  59   7.678  -0.790  14.704
  476   2HB   TYR  59          3HB       TYR  59   8.892  -1.575  15.701
  477    HD1  TYR  59           HD1      TYR  59   8.489   0.596  12.948
  478    HD2  TYR  59           HD2      TYR  59  10.894  -2.726  14.306
  479    HE1  TYR  59           HE1      TYR  59  10.313   1.267  11.401
  480    HE2  TYR  59           HE2      TYR  59  12.691  -2.074  12.727
  481    HH   TYR  59           HH       TYR  59  13.316  -0.627  11.065
  482    H    LEU  60           H        LEU  60   7.896  -5.202  15.412
  483    HA   LEU  60           HA       LEU  60   5.553  -4.931  17.172
  484   1HB   LEU  60          2HB       LEU  60   7.481  -7.185  16.520
  485   2HB   LEU  60          3HB       LEU  60   6.459  -7.277  17.928
  486    HG   LEU  60           HG       LEU  60   5.559  -8.531  16.046
  487   1HD1  LEU  60          1HD1      LEU  60   4.071  -7.565  17.801
  488   2HD1  LEU  60          2HD1      LEU  60   3.764  -6.177  16.751
  489   3HD1  LEU  60          3HD1      LEU  60   3.261  -7.798  16.243
  490   1HD2  LEU  60          1HD2      LEU  60   5.059  -5.868  14.665
  491   2HD2  LEU  60          2HD2      LEU  60   6.282  -7.067  14.175
  492   3HD2  LEU  60          3HD2      LEU  60   4.555  -7.469  14.108
  493    H    ASP  61           H        ASP  61   5.603  -5.055  19.366
  494    HA   ASP  61           HA       ASP  61   7.707  -3.892  20.898
  495   1HB   ASP  61          2HB       ASP  61   5.441  -3.966  21.723
  496   2HB   ASP  61          3HB       ASP  61   5.381  -5.728  21.581
  497    H    GLU  62           H        GLU  62   9.188  -4.779  22.335
  498    HA   GLU  62           HA       GLU  62  10.829  -6.900  21.281
  499   1HB   GLU  62          2HB       GLU  62  10.878  -5.225  23.820
  500   2HB   GLU  62          3HB       GLU  62  12.148  -6.380  23.443
  501   1HG   GLU  62          2HG       GLU  62  11.439  -4.170  21.479
  502   2HG   GLU  62          3HG       GLU  62  12.506  -3.896  22.850
  503    H    LEU  63           H        LEU  63   8.029  -7.346  22.844
  504    HA   LEU  63           HA       LEU  63   8.835  -9.946  24.048
  505   1HB   LEU  63          2HB       LEU  63   7.605  -7.708  25.273
  506   2HB   LEU  63          3HB       LEU  63   6.310  -8.843  25.011
  507    HG   LEU  63           HG       LEU  63   7.271  -9.102  27.198
  508   1HD1  LEU  63          1HD1      LEU  63   6.492 -11.172  26.095
  509   2HD1  LEU  63          2HD1      LEU  63   8.151 -11.503  25.560
  510   3HD1  LEU  63          3HD1      LEU  63   7.768 -11.466  27.294
  511   1HD2  LEU  63          1HD2      LEU  63   9.958  -9.743  25.931
  512   2HD2  LEU  63          2HD2      LEU  63   9.530  -8.219  26.726
  513   3HD2  LEU  63          3HD2      LEU  63   9.564  -9.726  27.662
  514    H    SER  64           H        SER  64   7.602  -8.791  21.298
  515    HA   SER  64           HA       SER  64   5.511 -10.915  20.969
  516   1HB   SER  64          2HB       SER  64   5.462  -8.033  19.983
  517   2HB   SER  64          3HB       SER  64   4.270  -9.284  19.577
  518    HG   SER  64           HG       SER  64   4.873  -8.283  22.161
  519    H    ASP  65           H        ASP  65   5.138 -11.614  18.746
  520    HA   ASP  65           HA       ASP  65   7.235 -11.156  16.751
  521   1HB   ASP  65          2HB       ASP  65   8.240 -12.749  18.388
  522   2HB   ASP  65          3HB       ASP  65   6.898 -13.860  18.122
  523    H    ALA  66           H        ALA  66   5.667 -10.572  15.337
  524    HA   ALA  66           HA       ALA  66   3.252 -12.086  14.755
  525   1HB   ALA  66          1HB       ALA  66   3.409  -9.640  14.460
  526   2HB   ALA  66          2HB       ALA  66   4.687  -9.859  13.236
  527   3HB   ALA  66          3HB       ALA  66   3.039 -10.430  12.921
  528    H    ASP  67           H        ASP  67   2.783 -12.935  12.467
  529    HA   ASP  67           HA       ASP  67   4.732 -14.926  12.003
  530   1HB   ASP  67          2HB       ASP  67   2.309 -14.359  10.259
  531   2HB   ASP  67          3HB       ASP  67   3.133 -15.888  10.491
  532    HA   PRO  68           HA       PRO  68   7.055 -13.100   8.646
  533   1HB   PRO  68          2HB       PRO  68   8.453 -15.250   7.726
  534   2HB   PRO  68          3HB       PRO  68   8.699 -14.554   9.353
  535   1HG   PRO  68          2HG       PRO  68   6.949 -16.923   8.610
  536   2HG   PRO  68          3HG       PRO  68   8.205 -16.835   9.889
  537   1HD   PRO  68          2HD       PRO  68   5.574 -16.443  10.445
  538   2HD   PRO  68          3HD       PRO  68   6.845 -15.488  11.266
  539    H    GLY  69           H        GLY  69   4.881 -12.747   7.776
  540   1HA   GLY  69          2HA       GLY  69   4.789 -13.138   4.953
  541   2HA   GLY  69          3HA       GLY  69   3.648 -14.253   5.713
  542    H    ILE  70           H        ILE  70   3.288 -11.946   7.949
  543    HA   ILE  70           HA       ILE  70   0.872 -10.963   6.921
  544    HB   ILE  70           HB       ILE  70   2.705 -10.209   9.232
  545   1HG1  ILE  70          2HG1      ILE  70   0.202 -11.875   8.849
  546   2HG1  ILE  70          3HG1      ILE  70   1.772 -12.383   9.420
  547   1HG2  ILE  70          1HG2      ILE  70   1.526  -8.177   8.720
  548   2HG2  ILE  70          2HG2      ILE  70  -0.028  -9.035   8.636
  549   3HG2  ILE  70          3HG2      ILE  70   0.866  -8.876  10.176
  550   1HD1  ILE  70          1HD1      ILE  70   1.393 -11.056  11.520
  551   2HD1  ILE  70          2HD1      ILE  70  -0.271 -10.744  10.950
  552   3HD1  ILE  70          3HD1      ILE  70   0.258 -12.393  11.270
  553    H    VAL  71           H        VAL  71   4.093  -9.469   6.844
  554    HA   VAL  71           HA       VAL  71   3.244  -6.876   5.847
  555    HB   VAL  71           HB       VAL  71   5.837  -8.412   5.624
  556   1HG1  VAL  71          1HG1      VAL  71   5.852  -6.699   3.912
  557   2HG1  VAL  71          2HG1      VAL  71   5.294  -5.468   5.078
  558   3HG1  VAL  71          3HG1      VAL  71   6.916  -6.180   5.219
  559   1HG2  VAL  71          1HG2      VAL  71   4.991  -6.223   7.570
  560   2HG2  VAL  71          2HG2      VAL  71   5.281  -7.932   7.973
  561   3HG2  VAL  71          3HG2      VAL  71   6.628  -6.908   7.468
  562    H    ASP  72           H        ASP  72   4.717  -9.755   4.280
  563    HA   ASP  72           HA       ASP  72   4.535  -9.058   1.620
  564   1HB   ASP  72          2HB       ASP  72   4.006 -11.858   2.687
  565   2HB   ASP  72          3HB       ASP  72   4.775 -11.398   1.175
  566    H    GLU  73           H        GLU  73   2.005 -10.720   3.584
  567    HA   GLU  73           HA       GLU  73  -0.047 -10.729   1.582
  568   1HB   GLU  73          2HB       GLU  73  -0.130 -10.671   4.626
  569   2HB   GLU  73          3HB       GLU  73  -1.570 -10.697   3.612
  570   1HG   GLU  73          2HG       GLU  73  -0.997 -12.855   2.682
  571   2HG   GLU  73          3HG       GLU  73   0.514 -12.889   3.597
  572    H    ALA  74           H        ALA  74   0.899  -8.140   3.982
  573    HA   ALA  74           HA       ALA  74  -1.437  -6.533   3.385
  574   1HB   ALA  74          1HB       ALA  74   0.075  -6.312   5.429
  575   2HB   ALA  74          2HB       ALA  74   1.277  -5.543   4.369
  576   3HB   ALA  74          3HB       ALA  74  -0.312  -4.793   4.601
  577    H    VAL  75           H        VAL  75   1.872  -6.581   2.145
  578    HA   VAL  75           HA       VAL  75   1.618  -4.408   0.273
  579    HB   VAL  75           HB       VAL  75   3.567  -6.707   0.655
  580   1HG1  VAL  75          1HG1      VAL  75   3.737  -6.239  -1.649
  581   2HG1  VAL  75          2HG1      VAL  75   3.691  -4.472  -1.400
  582   3HG1  VAL  75          3HG1      VAL  75   5.100  -5.426  -0.875
  583   1HG2  VAL  75          1HG2      VAL  75   3.861  -3.700   1.084
  584   2HG2  VAL  75          2HG2      VAL  75   3.512  -4.856   2.377
  585   3HG2  VAL  75          3HG2      VAL  75   5.044  -4.955   1.499
  586    H    ASP  76           H        ASP  76   1.426  -8.009  -0.254
  587    HA   ASP  76           HA       ASP  76   0.539  -7.986  -2.923
  588   1HB   ASP  76          2HB       ASP  76   1.273  -9.952  -1.654
  589   2HB   ASP  76          3HB       ASP  76  -0.167  -9.848  -0.634
  590    H    ALA  77           H        ALA  77  -1.464  -7.622   0.077
  591    HA   ALA  77           HA       ALA  77  -3.965  -7.480  -1.320
  592   1HB   ALA  77          1HB       ALA  77  -3.794  -7.923   1.089
  593   2HB   ALA  77          2HB       ALA  77  -3.156  -6.290   1.369
  594   3HB   ALA  77          3HB       ALA  77  -4.818  -6.507   0.779
  595    H    ALA  78           H        ALA  78  -1.619  -4.900  -0.390
  596    HA   ALA  78           HA       ALA  78  -3.100  -2.738  -1.553
  597   1HB   ALA  78          1HB       ALA  78  -1.243  -2.464   0.031
  598   2HB   ALA  78          2HB       ALA  78  -0.084  -3.030  -1.190
  599   3HB   ALA  78          3HB       ALA  78  -0.985  -1.527  -1.449
  600    H    TYR  79           H        TYR  79  -0.600  -4.939  -3.021
  601    HA   TYR  79           HA       TYR  79  -0.684  -3.749  -5.612
  602   1HB   TYR  79          2HB       TYR  79  -0.065  -6.574  -4.666
  603   2HB   TYR  79          3HB       TYR  79   0.017  -6.115  -6.350
  604    HD1  TYR  79           HD1      TYR  79   1.357  -3.777  -6.755
  605    HD2  TYR  79           HD2      TYR  79   2.054  -6.639  -3.578
  606    HE1  TYR  79           HE1      TYR  79   3.741  -3.087  -6.672
  607    HE2  TYR  79           HE2      TYR  79   4.496  -6.052  -3.655
  608    HH   TYR  79           HH       TYR  79   5.824  -3.493  -5.717
  609    H    ARG  80           H        ARG  80  -2.690  -6.489  -4.328
  610    HA   ARG  80           HA       ARG  80  -4.241  -6.824  -6.736
  611   1HB   ARG  80          2HB       ARG  80  -4.916  -7.344  -3.806
  612   2HB   ARG  80          3HB       ARG  80  -5.952  -7.835  -5.155
  613   1HG   ARG  80          2HG       ARG  80  -4.213  -9.297  -6.055
  614   2HG   ARG  80          3HG       ARG  80  -3.060  -8.741  -4.840
  615   1HD   ARG  80          2HD       ARG  80  -4.789  -9.552  -3.083
  616   2HD   ARG  80          3HD       ARG  80  -5.546 -10.439  -4.413
  617    HE   ARG  80           HE       ARG  80  -2.935 -10.935  -3.090
  618   1HH1  ARG  80          1HH2      ARG  80  -4.756 -11.829  -5.968
  619   2HH1  ARG  80          2HH2      ARG  80  -3.652 -13.142  -6.314
  620   1HH2  ARG  80          1HH1      ARG  80  -1.640 -12.328  -3.584
  621   2HH2  ARG  80          2HH1      ARG  80  -1.809 -13.445  -4.949
  622    H    SER  81           H        SER  81  -4.734  -4.728  -3.916
  623    HA   SER  81           HA       SER  81  -7.211  -3.563  -4.749
  624   1HB   SER  81          2HB       SER  81  -5.011  -2.273  -3.080
  625   2HB   SER  81          3HB       SER  81  -6.715  -1.801  -3.154
  626    HG   SER  81           HG       SER  81  -5.573  -4.190  -2.096
  627    H    LEU  82           H        LEU  82  -3.803  -2.666  -5.480
  628    HA   LEU  82           HA       LEU  82  -4.497  -0.357  -7.011
  629   1HB   LEU  82          2HB       LEU  82  -2.230  -0.977  -5.992
  630   2HB   LEU  82          3HB       LEU  82  -2.015  -2.100  -7.314
  631    HG   LEU  82           HG       LEU  82  -2.065  -0.287  -8.955
  632   1HD1  LEU  82          1HD1      LEU  82  -3.607   1.336  -8.037
  633   2HD1  LEU  82          2HD1      LEU  82  -2.604   1.554  -6.584
  634   3HD1  LEU  82          3HD1      LEU  82  -2.038   2.115  -8.173
  635   1HD2  LEU  82          1HD2      LEU  82  -0.253   0.244  -6.565
  636   2HD2  LEU  82          2HD2      LEU  82   0.070  -0.824  -7.945
  637   3HD2  LEU  82          3HD2      LEU  82  -0.032   0.932  -8.187
  638    H    GLU  83           H        GLU  83  -3.776  -3.777  -8.068
  639    HA   GLU  83           HA       GLU  83  -4.110  -3.235 -10.838
  640   1HB   GLU  83          2HB       GLU  83  -4.705  -5.754  -9.239
  641   2HB   GLU  83          3HB       GLU  83  -4.759  -5.684 -11.000
  642   1HG   GLU  83          2HG       GLU  83  -2.274  -5.047  -9.349
  643   2HG   GLU  83          3HG       GLU  83  -2.631  -6.612 -10.062
  644    H    SER  84           H        SER  84  -6.677  -4.109  -8.416
  645    HA   SER  84           HA       SER  84  -8.665  -3.616 -10.443
  646   1HB   SER  84          2HB       SER  84  -8.953  -4.228  -7.529
  647   2HB   SER  84          3HB       SER  84 -10.338  -3.740  -8.536
  648    HG   SER  84           HG       SER  84  -9.630  -5.422 -10.106
  649    H    PHE  85           H        PHE  85  -6.985  -1.341  -8.548
  650    HA   PHE  85           HA       PHE  85  -8.943   0.784  -8.926
  651   1HB   PHE  85          2HB       PHE  85  -6.952   0.799  -7.351
  652   2HB   PHE  85          3HB       PHE  85  -5.912   0.979  -8.749
  653    HD1  PHE  85           HD1      PHE  85  -7.561   2.733  -6.206
  654    HD2  PHE  85           HD2      PHE  85  -6.484   3.004 -10.371
  655    HE1  PHE  85           HE1      PHE  85  -7.582   5.209  -6.049
  656    HE2  PHE  85           HE2      PHE  85  -6.471   5.475 -10.203
  657    HZ   PHE  85           HZ       PHE  85  -7.024   6.586  -8.040
  658    H    LEU  86           H        LEU  86  -6.228  -0.614 -10.872
  659    HA   LEU  86           HA       LEU  86  -6.829   1.130 -13.123
  660   1HB   LEU  86          2HB       LEU  86  -4.968  -1.254 -12.916
  661   2HB   LEU  86          3HB       LEU  86  -5.269  -0.362 -14.391
  662    HG   LEU  86           HG       LEU  86  -3.263   0.512 -13.616
  663   1HD1  LEU  86          1HD1      LEU  86  -4.906   2.327 -14.214
  664   2HD1  LEU  86          2HD1      LEU  86  -5.217   2.545 -12.472
  665   3HD1  LEU  86          3HD1      LEU  86  -3.605   2.846 -13.125
  666   1HD2  LEU  86          1HD2      LEU  86  -4.371   0.973 -10.826
  667   2HD2  LEU  86          2HD2      LEU  86  -3.309  -0.372 -11.305
  668   3HD2  LEU  86          3HD2      LEU  86  -2.727   1.298 -11.397
  669    H    ASP  87           H        ASP  87  -7.955  -2.167 -12.285
  670    HA   ASP  87           HA       ASP  87  -9.206  -2.848 -14.670
  671   1HB   ASP  87          2HB       ASP  87 -10.563  -2.900 -11.944
  672   2HB   ASP  87          3HB       ASP  87 -11.147  -3.711 -13.380
  673    H    GLY  88           H        GLY  88 -10.015  -0.049 -12.607
  674   1HA   GLY  88          2HA       GLY  88 -12.484   0.552 -14.111
  675   2HA   GLY  88          3HA       GLY  88 -11.773   1.494 -12.790
  676    H    PHE  89           H        PHE  89  -9.129   1.192 -14.577
  677    HA   PHE  89           HA       PHE  89  -9.555   3.737 -16.058
  678   1HB   PHE  89          2HB       PHE  89  -7.292   2.377 -14.748
  679   2HB   PHE  89          3HB       PHE  89  -6.881   2.859 -16.365
  680    HD1  PHE  89           HD1      PHE  89  -7.710   5.348 -17.026
  681    HD2  PHE  89           HD2      PHE  89  -6.823   3.927 -13.055
  682    HE1  PHE  89           HE1      PHE  89  -7.213   7.679 -16.302
  683    HE2  PHE  89           HE2      PHE  89  -6.229   6.245 -12.367
  684    HZ   PHE  89           HZ       PHE  89  -6.471   8.122 -13.976
  685    H    ARG  90           H        ARG  90  -9.352   0.320 -16.677
  686    HA   ARG  90           HA       ARG  90  -9.019   0.834 -19.611
  687   1HB   ARG  90          2HB       ARG  90  -7.536  -1.340 -18.056
  688   2HB   ARG  90          3HB       ARG  90  -7.417  -0.979 -19.783
  689   1HG   ARG  90          2HG       ARG  90  -6.506   1.304 -19.143
  690   2HG   ARG  90          3HG       ARG  90  -6.497   0.753 -17.453
  691   1HD   ARG  90          2HD       ARG  90  -5.057  -1.187 -18.156
  692   2HD   ARG  90          3HD       ARG  90  -4.905  -0.448 -19.752
  693    HE   ARG  90           HE       ARG  90  -3.546   0.286 -17.308
  694   1HH1  ARG  90          1HH2      ARG  90  -4.697   1.729 -20.283
  695   2HH1  ARG  90          2HH2      ARG  90  -3.585   3.069 -20.202
  696   1HH2  ARG  90          1HH1      ARG  90  -2.148   2.030 -17.223
  697   2HH2  ARG  90          2HH1      ARG  90  -2.170   3.226 -18.483
  698    H    GLU  91           H        GLU  91  -9.378  -2.036 -17.501
  699    HA   GLU  91           HA       GLU  91 -11.972  -2.868 -18.023
  700   1HB   GLU  91          2HB       GLU  91 -10.255  -3.257 -20.385
  701   2HB   GLU  91          3HB       GLU  91 -10.705  -4.810 -19.698
  702   1HG   GLU  91          2HG       GLU  91 -13.075  -4.271 -19.806
  703   2HG   GLU  91          3HG       GLU  91 -12.728  -2.619 -20.305
  Start of MODEL   21
    1    H    MET   1           H1       MET   1 -15.879   6.609 -10.700
    2    HA   MET   1           HA       MET   1 -16.365   4.761 -12.105
    3   1HB   MET   1          2HB       MET   1 -18.804   6.074 -12.534
    4   2HB   MET   1          3HB       MET   1 -17.960   6.284 -14.071
    5   1HG   MET   1          2HG       MET   1 -18.490   3.678 -12.593
    6   2HG   MET   1          3HG       MET   1 -19.272   4.227 -14.076
    7   1HE   MET   1          1HE       MET   1 -17.999   1.332 -13.632
    8   2HE   MET   1          2HE       MET   1 -18.812   1.840 -15.133
    9   3HE   MET   1          3HE       MET   1 -17.202   1.085 -15.203
   10    H    SER   2           H        SER   2 -14.771   4.515 -13.686
   11    HA   SER   2           HA       SER   2 -12.768   5.061 -14.546
   12   1HB   SER   2          2HB       SER   2 -14.380   5.915 -16.326
   13   2HB   SER   2          3HB       SER   2 -14.008   7.545 -15.731
   14    HG   SER   2           HG       SER   2 -12.127   5.584 -16.655
   15    H    LEU   3           H        LEU   3 -11.493   7.614 -15.008
   16    HA   LEU   3           HA       LEU   3 -10.952   8.434 -12.209
   17   1HB   LEU   3          2HB       LEU   3  -8.633   8.125 -12.524
   18   2HB   LEU   3          3HB       LEU   3  -9.426   6.638 -12.972
   19    HG   LEU   3           HG       LEU   3  -8.709   8.642 -15.141
   20   1HD1  LEU   3          1HD1      LEU   3  -6.657   8.366 -13.814
   21   2HD1  LEU   3          2HD1      LEU   3  -6.818   6.595 -13.899
   22   3HD1  LEU   3          3HD1      LEU   3  -6.503   7.548 -15.371
   23   1HD2  LEU   3          1HD2      LEU   3  -8.825   5.610 -15.091
   24   2HD2  LEU   3          2HD2      LEU   3 -10.016   6.681 -15.837
   25   3HD2  LEU   3          3HD2      LEU   3  -8.391   6.615 -16.497
   26    H    ARG   4           H        ARG   4  -8.849  10.075 -12.626
   27    HA   ARG   4           HA       ARG   4  -9.877  12.369 -14.225
   28   1HB   ARG   4          2HB       ARG   4 -10.424  12.547 -11.809
   29   2HB   ARG   4          3HB       ARG   4  -8.724  12.327 -11.392
   30   1HG   ARG   4          2HG       ARG   4  -8.141  14.463 -12.390
   31   2HG   ARG   4          3HG       ARG   4  -9.788  14.667 -13.031
   32   1HD   ARG   4          2HD       ARG   4 -10.693  14.782 -10.762
   33   2HD   ARG   4          3HD       ARG   4  -9.114  14.427 -10.062
   34    HE   ARG   4           HE       ARG   4 -10.070  16.989 -11.056
   35   1HH1  ARG   4          1HH2      ARG   4  -7.104  15.138 -10.319
   36   2HH1  ARG   4          2HH2      ARG   4  -6.114  16.514 -10.299
   37   1HH2  ARG   4          1HH1      ARG   4  -8.720  18.800 -10.926
   38   2HH2  ARG   4          2HH1      ARG   4  -7.025  18.570 -10.586
   39    H    LYS   5           H        LYS   5  -8.082  13.964 -14.631
   40    HA   LYS   5           HA       LYS   5  -5.714  12.949 -15.820
   41   1HB   LYS   5          2HB       LYS   5  -6.554  15.643 -14.695
   42   2HB   LYS   5          3HB       LYS   5  -4.895  15.398 -15.210
   43   1HG   LYS   5          2HG       LYS   5  -7.245  14.872 -17.071
   44   2HG   LYS   5          3HG       LYS   5  -6.457  16.449 -16.904
   45   1HD   LYS   5          2HD       LYS   5  -4.257  15.392 -17.484
   46   2HD   LYS   5          3HD       LYS   5  -5.107  13.867 -17.811
   47   1HE   LYS   5          2HE       LYS   5  -6.465  14.981 -19.545
   48   2HE   LYS   5          3HE       LYS   5  -5.692  16.531 -19.175
   49   1HZ   LYS   5          1HZ       LYS   5  -3.578  15.576 -19.863
   50   2HZ   LYS   5          2HZ       LYS   5  -4.290  14.138 -20.215
   51   3HZ   LYS   5          3HZ       LYS   5  -4.667  15.478 -21.091
   52    H    LEU   6           H        LEU   6  -4.186  11.792 -14.847
   53    HA   LEU   6           HA       LEU   6  -3.704  11.938 -11.998
   54   1HB   LEU   6          2HB       LEU   6  -2.177  10.497 -14.201
   55   2HB   LEU   6          3HB       LEU   6  -1.903  10.311 -12.471
   56    HG   LEU   6           HG       LEU   6  -4.430   9.545 -13.990
   57   1HD1  LEU   6          1HD1      LEU   6  -2.500   8.028 -14.291
   58   2HD1  LEU   6          2HD1      LEU   6  -2.364   7.853 -12.526
   59   3HD1  LEU   6          3HD1      LEU   6  -3.808   7.259 -13.375
   60   1HD2  LEU   6          1HD2      LEU   6  -3.825   9.383 -11.003
   61   2HD2  LEU   6          2HD2      LEU   6  -5.158  10.267 -11.793
   62   3HD2  LEU   6          3HD2      LEU   6  -5.145   8.505 -11.805
   63    H    THR   7           H        THR   7  -2.889  13.716 -11.187
   64    HA   THR   7           HA       THR   7  -0.160  14.530 -11.990
   65    HB   THR   7           HB       THR   7  -1.463  16.269 -12.939
   66    HG1  THR   7           1HG      THR   7   0.302  17.044 -11.337
   67   1HG2  THR   7          1HG2      THR   7  -3.651  15.945 -11.898
   68   2HG2  THR   7          2HG2      THR   7  -3.005  16.469 -10.326
   69   3HG2  THR   7          3HG2      THR   7  -3.119  17.615 -11.678
   70    H    GLU   8           H        GLU   8   0.695  15.833 -10.076
   71    HA   GLU   8           HA       GLU   8   1.345  14.195  -8.062
   72   1HB   GLU   8          2HB       GLU   8   1.129  17.222  -7.798
   73   2HB   GLU   8          3HB       GLU   8   2.183  16.138  -6.892
   74   1HG   GLU   8          2HG       GLU   8   3.677  16.918  -8.437
   75   2HG   GLU   8          3HG       GLU   8   3.134  15.469  -9.265
   76    H    GLY   9           H        GLY   9  -1.570  16.252  -7.934
   77   1HA   GLY   9          2HA       GLY   9  -2.278  15.736  -5.185
   78   2HA   GLY   9          3HA       GLY   9  -3.355  16.249  -6.504
   79    H    ASP  10           H        ASP  10  -3.673  14.341  -8.222
   80    HA   ASP  10           HA       ASP  10  -5.212  12.310  -7.001
   81   1HB   ASP  10          2HB       ASP  10  -3.947  12.182  -9.765
   82   2HB   ASP  10          3HB       ASP  10  -5.479  11.483  -9.244
   83    H    LEU  11           H        LEU  11  -1.865  12.323  -8.200
   84    HA   LEU  11           HA       LEU  11  -1.354   9.505  -7.758
   85   1HB   LEU  11          2HB       LEU  11   0.436  11.935  -8.144
   86   2HB   LEU  11          3HB       LEU  11   1.057  10.297  -8.020
   87    HG   LEU  11           HG       LEU  11  -0.912  11.209 -10.175
   88   1HD1  LEU  11          1HD1      LEU  11   1.286  12.319 -10.397
   89   2HD1  LEU  11          2HD1      LEU  11   2.090  10.733 -10.357
   90   3HD1  LEU  11          3HD1      LEU  11   1.002  11.154 -11.700
   91   1HD2  LEU  11          1HD2      LEU  11   0.695   8.639  -9.853
   92   2HD2  LEU  11          2HD2      LEU  11  -1.078   8.795  -9.829
   93   3HD2  LEU  11          3HD2      LEU  11  -0.181   9.098 -11.321
   94    H    ASP  12           H        ASP  12  -0.714  12.455  -5.711
   95    HA   ASP  12           HA       ASP  12   0.377  11.028  -3.505
   96   1HB   ASP  12          2HB       ASP  12   0.476  13.455  -3.684
   97   2HB   ASP  12          3HB       ASP  12  -1.284  13.575  -3.566
   98    H    GLU  13           H        GLU  13  -3.096  11.841  -4.257
   99    HA   GLU  13           HA       GLU  13  -4.121  10.467  -2.011
  100   1HB   GLU  13          2HB       GLU  13  -5.408  12.066  -3.404
  101   2HB   GLU  13          3HB       GLU  13  -5.527  10.836  -4.665
  102   1HG   GLU  13          2HG       GLU  13  -7.572  10.863  -3.373
  103   2HG   GLU  13          3HG       GLU  13  -6.754   9.342  -3.081
  104    H    ILE  14           H        ILE  14  -3.372   9.115  -5.288
  105    HA   ILE  14           HA       ILE  14  -4.249   6.450  -4.605
  106    HB   ILE  14           HB       ILE  14  -2.326   7.539  -6.664
  107   1HG1  ILE  14          2HG1      ILE  14  -5.030   6.116  -6.864
  108   2HG1  ILE  14          3HG1      ILE  14  -4.832   7.861  -6.869
  109   1HG2  ILE  14          1HG2      ILE  14  -1.435   5.314  -6.098
  110   2HG2  ILE  14          2HG2      ILE  14  -3.057   4.602  -6.244
  111   3HG2  ILE  14          3HG2      ILE  14  -2.211   5.253  -7.667
  112   1HD1  ILE  14          1HD1      ILE  14  -3.453   7.669  -8.964
  113   2HD1  ILE  14          2HD1      ILE  14  -3.872   5.935  -9.017
  114   3HD1  ILE  14          3HD1      ILE  14  -5.145   7.154  -9.130
  115    H    SER  15           H        SER  15  -1.064   8.081  -4.113
  116    HA   SER  15           HA       SER  15   0.195   5.846  -2.851
  117   1HB   SER  15          2HB       SER  15   1.862   7.292  -2.240
  118   2HB   SER  15          3HB       SER  15   1.166   8.150  -3.608
  119    HG   SER  15           HG       SER  15  -0.093   9.373  -1.979
  120    H    SER  16           H        SER  16  -1.946   8.358  -1.501
  121    HA   SER  16           HA       SER  16  -1.926   7.495   1.225
  122   1HB   SER  16          2HB       SER  16  -2.916   9.513   1.216
  123   2HB   SER  16          3HB       SER  16  -3.391   9.375  -0.466
  124    HG   SER  16           HG       SER  16  -5.347   9.229   0.228
  125    H    PHE  17           H        PHE  17  -4.123   6.608  -1.505
  126    HA   PHE  17           HA       PHE  17  -5.707   4.738  -0.094
  127   1HB   PHE  17          2HB       PHE  17  -6.365   5.451  -2.268
  128   2HB   PHE  17          3HB       PHE  17  -4.846   4.963  -2.990
  129    HD1  PHE  17           HD1      PHE  17  -7.895   3.573  -1.327
  130    HD2  PHE  17           HD2      PHE  17  -4.550   2.809  -3.948
  131    HE1  PHE  17           HE1      PHE  17  -8.822   1.332  -1.867
  132    HE2  PHE  17           HE2      PHE  17  -5.481   0.566  -4.471
  133    HZ   PHE  17           HZ       PHE  17  -7.617  -0.164  -3.438
  134    H    LEU  18           H        LEU  18  -2.544   4.174  -1.749
  135    HA   LEU  18           HA       LEU  18  -2.437   1.371  -1.076
  136   1HB   LEU  18          2HB       LEU  18  -0.276   3.409  -1.751
  137   2HB   LEU  18          3HB       LEU  18   0.039   1.684  -1.563
  138    HG   LEU  18           HG       LEU  18  -1.924   2.818  -3.608
  139   1HD1  LEU  18          1HD1      LEU  18   0.364   3.582  -4.087
  140   2HD1  LEU  18          2HD1      LEU  18   0.959   1.909  -3.979
  141   3HD1  LEU  18          3HD1      LEU  18  -0.175   2.380  -5.267
  142   1HD2  LEU  18          1HD2      LEU  18  -0.690   0.052  -3.290
  143   2HD2  LEU  18          2HD2      LEU  18  -2.404   0.478  -3.060
  144   3HD2  LEU  18          3HD2      LEU  18  -1.674   0.608  -4.655
  145    H    HIS  19           H        HIS  19  -0.969   4.228   0.571
  146    HA   HIS  19           HA       HIS  19   0.236   2.760   2.681
  147   1HB   HIS  19          2HB       HIS  19   0.730   5.100   2.050
  148   2HB   HIS  19          3HB       HIS  19  -0.848   5.603   2.645
  149    HD1  HIS  19           HD1      HIS  19   0.782   7.256   4.180
  150    HD2  HIS  19           HD2      HIS  19   0.833   3.144   5.041
  151    HE1  HIS  19           HE1      HIS  19   1.820   6.999   6.504
  152    H    ASN  20           H        ASN  20  -3.061   4.247   2.527
  153    HA   ASN  20           HA       ASN  20  -3.902   3.274   5.108
  154   1HB   ASN  20          2HB       ASN  20  -5.422   4.162   2.628
  155   2HB   ASN  20          3HB       ASN  20  -6.223   3.560   4.080
  156   1HD2  ASN  20          2HD2      ASN  20  -4.461   6.292   2.738
  157   2HD2  ASN  20          1HD2      ASN  20  -4.797   7.335   4.128
  158    H    THR  21           H        THR  21  -4.072   1.762   1.814
  159    HA   THR  21           HA       THR  21  -5.621  -0.476   2.597
  160    HB   THR  21           HB       THR  21  -3.482  -0.304   0.437
  161    HG1  THR  21           1HG      THR  21  -5.113   1.146   0.081
  162   1HG2  THR  21          1HG2      THR  21  -3.967  -2.667   0.812
  163   2HG2  THR  21          2HG2      THR  21  -5.716  -2.333   0.844
  164   3HG2  THR  21          3HG2      THR  21  -4.794  -2.126  -0.658
  165    H    ILE  22           H        ILE  22  -2.011  -0.190   2.578
  166    HA   ILE  22           HA       ILE  22  -1.591  -2.803   3.749
  167    HB   ILE  22           HB       ILE  22   0.157  -0.316   3.863
  168   1HG1  ILE  22          2HG1      ILE  22   0.047  -2.671   1.941
  169   2HG1  ILE  22          3HG1      ILE  22  -0.246  -0.970   1.569
  170   1HG2  ILE  22          1HG2      ILE  22   0.738  -2.123   5.593
  171   2HG2  ILE  22          2HG2      ILE  22   1.053  -3.210   4.219
  172   3HG2  ILE  22          3HG2      ILE  22   2.019  -1.764   4.449
  173   1HD1  ILE  22          1HD1      ILE  22   2.214  -0.580   2.314
  174   2HD1  ILE  22          2HD1      ILE  22   2.362  -2.352   2.143
  175   3HD1  ILE  22          3HD1      ILE  22   1.862  -1.362   0.741
  176    H    SER  23           H        SER  23  -1.968   0.458   5.201
  177    HA   SER  23           HA       SER  23  -1.494  -0.258   7.894
  178   1HB   SER  23          2HB       SER  23  -3.380   1.904   6.877
  179   2HB   SER  23          3HB       SER  23  -2.662   1.789   8.492
  180    HG   SER  23           HG       SER  23  -1.379   2.287   5.998
  181    H    ASP  24           H        ASP  24  -4.692  -0.041   6.196
  182    HA   ASP  24           HA       ASP  24  -6.232  -1.166   8.302
  183   1HB   ASP  24          2HB       ASP  24  -6.623  -0.914   5.314
  184   2HB   ASP  24          3HB       ASP  24  -7.753  -1.851   6.278
  185    H    PHE  25           H        PHE  25  -4.432  -2.862   5.651
  186    HA   PHE  25           HA       PHE  25  -5.512  -5.424   6.357
  187   1HB   PHE  25          2HB       PHE  25  -4.277  -4.802   4.236
  188   2HB   PHE  25          3HB       PHE  25  -2.780  -4.855   5.152
  189    HD1  PHE  25           HD1      PHE  25  -2.125  -7.098   6.288
  190    HD2  PHE  25           HD2      PHE  25  -5.248  -6.765   3.334
  191    HE1  PHE  25           HE1      PHE  25  -2.038  -9.540   5.913
  192    HE2  PHE  25           HE2      PHE  25  -5.200  -9.224   3.011
  193    HZ   PHE  25           HZ       PHE  25  -3.597 -10.617   4.313
  194    H    ILE  26           H        ILE  26  -2.496  -3.721   7.474
  195    HA   ILE  26           HA       ILE  26  -1.623  -5.742   9.264
  196    HB   ILE  26           HB       ILE  26  -1.216  -2.741   9.024
  197   1HG1  ILE  26          2HG1      ILE  26   0.639  -5.134   8.575
  198   2HG1  ILE  26          3HG1      ILE  26  -0.225  -4.279   7.304
  199   1HG2  ILE  26          1HG2      ILE  26  -0.999  -3.293  11.414
  200   2HG2  ILE  26          2HG2      ILE  26   0.172  -4.571  11.005
  201   3HG2  ILE  26          3HG2      ILE  26   0.541  -2.856  10.707
  202   1HD1  ILE  26          1HD1      ILE  26   1.009  -2.169   7.952
  203   2HD1  ILE  26          2HD1      ILE  26   2.012  -3.163   9.031
  204   3HD1  ILE  26          3HD1      ILE  26   2.020  -3.475   7.294
  205    H    LEU  27           H        LEU  27  -3.662  -2.808   9.919
  206    HA   LEU  27           HA       LEU  27  -4.199  -3.533  12.626
  207   1HB   LEU  27          2HB       LEU  27  -5.310  -1.564  10.643
  208   2HB   LEU  27          3HB       LEU  27  -6.311  -1.930  12.020
  209    HG   LEU  27           HG       LEU  27  -4.940   0.076  12.339
  210   1HD1  LEU  27          1HD1      LEU  27  -5.763  -1.252  14.269
  211   2HD1  LEU  27          2HD1      LEU  27  -4.217  -2.125  14.316
  212   3HD1  LEU  27          3HD1      LEU  27  -4.264  -0.376  14.616
  213   1HD2  LEU  27          1HD2      LEU  27  -2.525  -1.770  12.508
  214   2HD2  LEU  27          2HD2      LEU  27  -2.855  -0.625  11.188
  215   3HD2  LEU  27          3HD2      LEU  27  -2.564  -0.027  12.826
  216    H    LYS  28           H        LYS  28  -5.436  -5.082   9.854
  217    HA   LYS  28           HA       LYS  28  -7.504  -6.413  11.568
  218   1HB   LYS  28          2HB       LYS  28  -7.432  -5.831   8.596
  219   2HB   LYS  28          3HB       LYS  28  -8.441  -7.128   9.246
  220   1HG   LYS  28          2HG       LYS  28  -9.668  -5.689  10.660
  221   2HG   LYS  28          3HG       LYS  28  -8.571  -4.340  10.450
  222   1HD   LYS  28          2HD       LYS  28 -10.161  -5.473   8.117
  223   2HD   LYS  28          3HD       LYS  28 -10.873  -4.321   9.242
  224   1HE   LYS  28          2HE       LYS  28  -8.428  -3.818   7.498
  225   2HE   LYS  28          3HE       LYS  28 -10.058  -3.187   7.237
  226   1HZ   LYS  28          1HZ       LYS  28  -9.799  -2.094   9.477
  227   2HZ   LYS  28          2HZ       LYS  28  -8.196  -2.506   9.408
  228   3HZ   LYS  28          3HZ       LYS  28  -8.843  -1.465   8.315
  229    H    ARG  29           H        ARG  29  -4.403  -6.863  10.740
  230    HA   ARG  29           HA       ARG  29  -4.675  -9.852  11.027
  231   1HB   ARG  29          2HB       ARG  29  -3.114  -8.246   9.179
  232   2HB   ARG  29          3HB       ARG  29  -2.018  -8.955  10.324
  233   1HG   ARG  29          2HG       ARG  29  -2.091 -10.498   8.595
  234   2HG   ARG  29          3HG       ARG  29  -3.161 -11.231   9.795
  235   1HD   ARG  29          2HD       ARG  29  -3.966  -9.599   7.361
  236   2HD   ARG  29          3HD       ARG  29  -3.983 -11.359   7.448
  237    HE   ARG  29           HE       ARG  29  -5.631 -10.042   9.476
  238   1HH1  ARG  29          1HH2      ARG  29  -5.654 -10.934   6.096
  239   2HH1  ARG  29          2HH2      ARG  29  -7.393 -10.836   5.973
  240   1HH2  ARG  29          1HH1      ARG  29  -7.718  -9.808   9.300
  241   2HH2  ARG  29          2HH1      ARG  29  -8.610 -10.312   7.863
  242    H    VAL  30           H        VAL  30  -3.058  -6.982  12.390
  243    HA   VAL  30           HA       VAL  30  -2.419  -8.557  14.830
  244    HB   VAL  30           HB       VAL  30  -0.503  -8.709  13.333
  245   1HG1  VAL  30          1HG1      VAL  30  -0.720  -6.661  12.010
  246   2HG1  VAL  30          2HG1      VAL  30  -0.298  -5.681  13.433
  247   3HG1  VAL  30          3HG1      VAL  30   0.887  -6.801  12.723
  248   1HG2  VAL  30          1HG2      VAL  30   0.132  -6.915  15.690
  249   2HG2  VAL  30          2HG2      VAL  30  -0.080  -8.684  15.728
  250   3HG2  VAL  30          3HG2      VAL  30   1.259  -7.978  14.825
  251    H    SER  31           H        SER  31  -2.194  -7.260  16.752
  252    HA   SER  31           HA       SER  31  -3.796  -4.783  16.589
  253   1HB   SER  31          2HB       SER  31  -4.221  -6.402  18.382
  254   2HB   SER  31          3HB       SER  31  -2.542  -6.246  18.947
  255    HG   SER  31           HG       SER  31  -4.184  -4.918  20.020
  256    H    ALA  32           H        ALA  32  -2.956  -2.749  16.660
  257    HA   ALA  32           HA       ALA  32  -0.325  -1.965  16.617
  258   1HB   ALA  32          1HB       ALA  32  -2.227  -0.512  16.110
  259   2HB   ALA  32          2HB       ALA  32  -2.717  -0.517  17.822
  260   3HB   ALA  32          3HB       ALA  32  -1.182   0.235  17.331
  261    H    LYS  33           H        LYS  33  -2.078  -3.141  19.458
  262    HA   LYS  33           HA       LYS  33  -0.204  -2.109  21.438
  263   1HB   LYS  33          2HB       LYS  33  -2.107  -4.500  21.518
  264   2HB   LYS  33          3HB       LYS  33  -1.221  -3.886  22.900
  265   1HG   LYS  33          2HG       LYS  33  -3.444  -2.485  21.371
  266   2HG   LYS  33          3HG       LYS  33  -3.469  -3.061  23.034
  267   1HD   LYS  33          2HD       LYS  33  -1.912  -0.696  21.919
  268   2HD   LYS  33          3HD       LYS  33  -3.272  -0.655  23.042
  269   1HE   LYS  33          2HE       LYS  33  -1.935  -1.750  24.787
  270   2HE   LYS  33          3HE       LYS  33  -0.582  -1.958  23.667
  271   1HZ   LYS  33          1HZ       LYS  33  -0.390   0.436  23.514
  272   2HZ   LYS  33          2HZ       LYS  33  -1.646   0.653  24.556
  273   3HZ   LYS  33          3HZ       LYS  33  -0.247  -0.043  25.078
  274    H    GLU  34           H        GLU  34   0.151  -4.595  19.101
  275    HA   GLU  34           HA       GLU  34   2.438  -5.861  20.531
  276   1HB   GLU  34          2HB       GLU  34   1.189  -6.482  17.824
  277   2HB   GLU  34          3HB       GLU  34   2.317  -7.490  18.717
  278   1HG   GLU  34          2HG       GLU  34   0.656  -8.016  20.397
  279   2HG   GLU  34          3HG       GLU  34  -0.473  -6.814  19.773
  280    H    ILE  35           H        ILE  35   1.787  -3.304  18.378
  281    HA   ILE  35           HA       ILE  35   4.258  -3.568  16.755
  282    HB   ILE  35           HB       ILE  35   1.819  -1.760  16.579
  283   1HG1  ILE  35          2HG1      ILE  35   1.099  -3.949  15.974
  284   2HG1  ILE  35          3HG1      ILE  35   1.282  -3.049  14.488
  285   1HG2  ILE  35          1HG2      ILE  35   3.643  -0.567  15.596
  286   2HG2  ILE  35          2HG2      ILE  35   4.107  -1.973  14.605
  287   3HG2  ILE  35          3HG2      ILE  35   2.554  -1.137  14.339
  288   1HD1  ILE  35          1HD1      ILE  35   2.137  -5.272  14.150
  289   2HD1  ILE  35          2HD1      ILE  35   3.550  -4.194  14.196
  290   3HD1  ILE  35          3HD1      ILE  35   3.128  -5.188  15.606
  291    H    VAL  36           H        VAL  36   5.983  -2.380  17.132
  292    HA   VAL  36           HA       VAL  36   6.045  -0.239  19.177
  293    HB   VAL  36           HB       VAL  36   8.126  -1.504  17.343
  294   1HG1  VAL  36          1HG1      VAL  36   8.755   0.822  17.475
  295   2HG1  VAL  36          2HG1      VAL  36   8.499   0.842  19.239
  296   3HG1  VAL  36          3HG1      VAL  36   9.818  -0.119  18.526
  297   1HG2  VAL  36          1HG2      VAL  36   7.893  -1.394  20.382
  298   2HG2  VAL  36          2HG2      VAL  36   7.414  -2.770  19.372
  299   3HG2  VAL  36          3HG2      VAL  36   9.112  -2.281  19.434
  300    H    ASP  37           H        ASP  37   6.572  -0.597  15.627
  301    HA   ASP  37           HA       ASP  37   4.987   1.699  15.048
  302   1HB   ASP  37          2HB       ASP  37   7.416   2.592  15.841
  303   2HB   ASP  37          3HB       ASP  37   7.820   2.249  14.173
  304    H    ILE  38           H        ILE  38   5.383   2.355  12.594
  305    HA   ILE  38           HA       ILE  38   6.290   0.066  10.929
  306    HB   ILE  38           HB       ILE  38   4.355   0.380   9.376
  307   1HG1  ILE  38          2HG1      ILE  38   3.043   1.837  11.715
  308   2HG1  ILE  38          3HG1      ILE  38   3.473   2.531  10.149
  309   1HG2  ILE  38          1HG2      ILE  38   4.622  -1.527  10.920
  310   2HG2  ILE  38          2HG2      ILE  38   3.566  -0.714  12.091
  311   3HG2  ILE  38          3HG2      ILE  38   2.947  -1.204  10.488
  312   1HD1  ILE  38          1HD1      ILE  38   1.871   0.906   9.061
  313   2HD1  ILE  38          2HD1      ILE  38   1.326   0.450  10.692
  314   3HD1  ILE  38          3HD1      ILE  38   1.123   2.113  10.125
  315    H    ASP  39           H        ASP  39   7.160   0.591   9.007
  316    HA   ASP  39           HA       ASP  39   7.241   3.492   8.209
  317   1HB   ASP  39          2HB       ASP  39   9.351   1.325   7.938
  318   2HB   ASP  39          3HB       ASP  39   9.302   2.709   6.864
  319    H    ILE  40           H        ILE  40   5.956   3.793   6.450
  320    HA   ILE  40           HA       ILE  40   5.993   1.716   4.330
  321    HB   ILE  40           HB       ILE  40   3.494   3.010   5.440
  322   1HG1  ILE  40          2HG1      ILE  40   4.039   0.091   4.787
  323   2HG1  ILE  40          3HG1      ILE  40   4.473   0.759   6.366
  324   1HG2  ILE  40          1HG2      ILE  40   3.365   3.174   2.981
  325   2HG2  ILE  40          2HG2      ILE  40   3.925   1.489   2.814
  326   3HG2  ILE  40          3HG2      ILE  40   2.330   1.850   3.498
  327   1HD1  ILE  40          1HD1      ILE  40   2.120   1.353   6.773
  328   2HD1  ILE  40          2HD1      ILE  40   1.688   0.579   5.227
  329   3HD1  ILE  40          3HD1      ILE  40   2.409  -0.389   6.529
  330    H    THR  41           H        THR  41   6.951   2.552   2.700
  331    HA   THR  41           HA       THR  41   6.568   5.444   2.017
  332    HB   THR  41           HB       THR  41   9.080   3.804   1.537
  333    HG1  THR  41           1HG      THR  41   9.929   5.062   3.190
  334   1HG2  THR  41          1HG2      THR  41   8.701   5.702  -0.063
  335   2HG2  THR  41          2HG2      THR  41   8.526   6.802   1.317
  336   3HG2  THR  41          3HG2      THR  41  10.079   5.994   1.007
  337    H    VAL  42           H        VAL  42   5.424   5.633   0.246
  338    HA   VAL  42           HA       VAL  42   5.422   3.522  -1.843
  339    HB   VAL  42           HB       VAL  42   3.131   4.613  -2.318
  340   1HG1  VAL  42          1HG1      VAL  42   3.435   2.327  -1.492
  341   2HG1  VAL  42          2HG1      VAL  42   3.561   2.918   0.177
  342   3HG1  VAL  42          3HG1      VAL  42   2.034   3.081  -0.714
  343   1HG2  VAL  42          1HG2      VAL  42   3.285   5.363   0.638
  344   2HG2  VAL  42          2HG2      VAL  42   3.356   6.539  -0.695
  345   3HG2  VAL  42          3HG2      VAL  42   1.915   5.544  -0.456
  346    H    LEU  43           H        LEU  43   6.209   4.057  -3.741
  347    HA   LEU  43           HA       LEU  43   6.557   6.948  -4.449
  348   1HB   LEU  43          2HB       LEU  43   8.379   4.656  -5.265
  349   2HB   LEU  43          3HB       LEU  43   8.534   6.334  -5.701
  350    HG   LEU  43           HG       LEU  43  10.186   6.003  -4.174
  351   1HD1  LEU  43          1HD1      LEU  43   8.894   8.050  -3.678
  352   2HD1  LEU  43          2HD1      LEU  43   7.987   7.164  -2.433
  353   3HD1  LEU  43          3HD1      LEU  43   9.733   7.401  -2.258
  354   1HD2  LEU  43          1HD2      LEU  43   8.330   4.640  -2.193
  355   2HD2  LEU  43          2HD2      LEU  43   9.467   3.818  -3.277
  356   3HD2  LEU  43          3HD2      LEU  43  10.073   4.914  -2.026
  357    H    VAL  44           H        VAL  44   5.995   7.538  -6.540
  358    HA   VAL  44           HA       VAL  44   5.089   5.416  -8.393
  359    HB   VAL  44           HB       VAL  44   3.089   6.159  -7.191
  360   1HG1  VAL  44          1HG1      VAL  44   3.721   8.516  -6.706
  361   2HG1  VAL  44          2HG1      VAL  44   3.521   8.907  -8.427
  362   3HG1  VAL  44          3HG1      VAL  44   2.133   8.356  -7.459
  363   1HG2  VAL  44          1HG2      VAL  44   3.067   7.062 -10.096
  364   2HG2  VAL  44          2HG2      VAL  44   2.961   5.377  -9.539
  365   3HG2  VAL  44          3HG2      VAL  44   1.683   6.526  -9.118
  366    H    GLU  45           H        GLU  45   5.473   5.806 -10.513
  367    HA   GLU  45           HA       GLU  45   6.900   8.306 -11.273
  368   1HB   GLU  45          2HB       GLU  45   8.250   6.089 -10.289
  369   2HB   GLU  45          3HB       GLU  45   8.201   5.705 -12.000
  370   1HG   GLU  45          2HG       GLU  45   9.343   8.220 -10.705
  371   2HG   GLU  45          3HG       GLU  45  10.267   6.871 -11.364
  372    H    TYR  46           H        TYR  46   7.156   8.538 -13.587
  373    HA   TYR  46           HA       TYR  46   5.861   6.551 -15.319
  374   1HB   TYR  46          2HB       TYR  46   4.082   8.203 -14.471
  375   2HB   TYR  46          3HB       TYR  46   4.863   9.413 -15.463
  376    HD1  TYR  46           HD1      TYR  46   5.276   8.589 -18.057
  377    HD2  TYR  46           HD2      TYR  46   2.337   7.008 -15.326
  378    HE1  TYR  46           HE1      TYR  46   3.975   7.668 -19.975
  379    HE2  TYR  46           HE2      TYR  46   1.011   6.153 -17.227
  380    HH   TYR  46           HH       TYR  46   0.963   5.820 -19.517
  381    H    THR  47           H        THR  47   7.697   6.171 -16.402
  382    HA   THR  47           HA       THR  47   8.953   8.394 -17.965
  383    HB   THR  47           HB       THR  47  10.479   6.285 -16.391
  384    HG1  THR  47           1HG      THR  47  10.268   7.961 -15.049
  385   1HG2  THR  47          1HG2      THR  47  11.576   6.551 -18.586
  386   2HG2  THR  47          2HG2      THR  47  11.459   8.323 -18.448
  387   3HG2  THR  47          3HG2      THR  47  12.502   7.403 -17.344
  388    H    ASP  48           H        ASP  48   7.867   7.826 -19.767
  389    HA   ASP  48           HA       ASP  48   7.148   6.783 -21.600
  390   1HB   ASP  48          2HB       ASP  48   9.656   6.280 -21.783
  391   2HB   ASP  48          3HB       ASP  48   9.252   4.636 -21.283
  392    H    GLU  49           H        GLU  49   7.492   4.712 -18.800
  393    HA   GLU  49           HA       GLU  49   4.762   3.680 -19.243
  394   1HB   GLU  49          2HB       GLU  49   7.159   2.074 -19.396
  395   2HB   GLU  49          3HB       GLU  49   6.342   1.646 -17.905
  396   1HG   GLU  49          2HG       GLU  49   4.979   1.718 -20.634
  397   2HG   GLU  49          3HG       GLU  49   5.732   0.288 -19.938
  398    H    LEU  50           H        LEU  50   3.801   2.872 -17.280
  399    HA   LEU  50           HA       LEU  50   4.209   4.715 -15.013
  400   1HB   LEU  50          2HB       LEU  50   1.954   4.345 -15.862
  401   2HB   LEU  50          3HB       LEU  50   2.164   2.602 -15.812
  402    HG   LEU  50           HG       LEU  50   2.180   2.640 -13.332
  403   1HD1  LEU  50          1HD1      LEU  50   2.993   4.962 -12.934
  404   2HD1  LEU  50          2HD1      LEU  50   1.465   5.593 -13.585
  405   3HD1  LEU  50          3HD1      LEU  50   1.482   4.623 -12.095
  406   1HD2  LEU  50          1HD2      LEU  50  -0.228   4.014 -14.578
  407   2HD2  LEU  50          2HD2      LEU  50   0.100   2.263 -14.574
  408   3HD2  LEU  50          3HD2      LEU  50  -0.197   3.106 -13.046
  409    H    LYS  51           H        LYS  51   5.242   4.179 -13.159
  410    HA   LYS  51           HA       LYS  51   5.261   1.315 -12.324
  411   1HB   LYS  51          2HB       LYS  51   7.481   1.986 -13.305
  412   2HB   LYS  51          3HB       LYS  51   7.639   3.186 -12.014
  413   1HG   LYS  51          2HG       LYS  51   7.596   1.363 -10.314
  414   2HG   LYS  51          3HG       LYS  51   7.270   0.177 -11.587
  415   1HD   LYS  51          2HD       LYS  51   9.587  -0.007 -11.067
  416   2HD   LYS  51          3HD       LYS  51   9.482   0.792 -12.636
  417   1HE   LYS  51          2HE       LYS  51  10.840   2.391 -11.778
  418   2HE   LYS  51          3HE       LYS  51   9.421   2.947 -10.878
  419   1HZ   LYS  51          1HZ       LYS  51  10.067   1.439  -9.069
  420   2HZ   LYS  51          2HZ       LYS  51  11.456   1.050  -9.852
  421   3HZ   LYS  51          3HZ       LYS  51  11.136   2.600  -9.313
  422    H    VAL  52           H        VAL  52   5.114   0.947 -10.151
  423    HA   VAL  52           HA       VAL  52   5.084   3.197  -8.281
  424    HB   VAL  52           HB       VAL  52   2.736   2.960  -8.812
  425   1HG1  VAL  52          1HG1      VAL  52   2.608   0.634  -9.579
  426   2HG1  VAL  52          2HG1      VAL  52   2.910   0.056  -7.920
  427   3HG1  VAL  52          3HG1      VAL  52   1.434   0.961  -8.300
  428   1HG2  VAL  52          1HG2      VAL  52   3.296   1.795  -6.056
  429   2HG2  VAL  52          2HG2      VAL  52   3.329   3.521  -6.494
  430   3HG2  VAL  52          3HG2      VAL  52   1.819   2.617  -6.592
  431    H    ASP  53           H        ASP  53   6.046   2.710  -6.421
  432    HA   ASP  53           HA       ASP  53   7.030  -0.082  -5.995
  433   1HB   ASP  53          2HB       ASP  53   8.530   2.472  -5.330
  434   2HB   ASP  53          3HB       ASP  53   9.113   0.822  -5.200
  435    H    ILE  54           H        ILE  54   6.905  -0.814  -3.923
  436    HA   ILE  54           HA       ILE  54   5.639   0.935  -1.861
  437    HB   ILE  54           HB       ILE  54   4.830  -1.911  -2.599
  438   1HG1  ILE  54          2HG1      ILE  54   3.437   0.743  -3.155
  439   2HG1  ILE  54          3HG1      ILE  54   3.994  -0.442  -4.332
  440   1HG2  ILE  54          1HG2      ILE  54   4.655  -1.285  -0.153
  441   2HG2  ILE  54          2HG2      ILE  54   3.554   0.027  -0.620
  442   3HG2  ILE  54          3HG2      ILE  54   3.127  -1.676  -0.930
  443   1HD1  ILE  54          1HD1      ILE  54   2.311  -2.077  -3.441
  444   2HD1  ILE  54          2HD1      ILE  54   1.676  -0.792  -2.382
  445   3HD1  ILE  54          3HD1      ILE  54   1.604  -0.609  -4.150
  446    H    SER  55           H        SER  55   7.123   1.089  -0.306
  447    HA   SER  55           HA       SER  55   8.642  -1.372   0.531
  448   1HB   SER  55          2HB       SER  55   9.253   1.578   0.991
  449   2HB   SER  55          3HB       SER  55  10.206   0.208   1.598
  450    HG   SER  55           HG       SER  55   9.626   0.667  -1.134
  451    H    ALA  56           H        ALA  56   7.841  -2.266   2.383
  452    HA   ALA  56           HA       ALA  56   6.684  -0.470   4.427
  453   1HB   ALA  56          1HB       ALA  56   4.799  -1.525   3.211
  454   2HB   ALA  56          2HB       ALA  56   5.467  -3.128   3.619
  455   3HB   ALA  56          3HB       ALA  56   4.889  -2.042   4.904
  456    H    GLU  57           H        GLU  57   7.277  -0.915   6.461
  457    HA   GLU  57           HA       GLU  57   8.680  -3.452   7.112
  458   1HB   GLU  57          2HB       GLU  57   9.924  -0.865   6.886
  459   2HB   GLU  57          3HB       GLU  57   9.835  -1.237   8.600
  460   1HG   GLU  57          2HG       GLU  57  11.008  -3.090   6.480
  461   2HG   GLU  57          3HG       GLU  57  11.941  -1.959   7.454
  462    H    LEU  58           H        LEU  58   8.562  -4.060   9.258
  463    HA   LEU  58           HA       LEU  58   6.210  -2.946  10.754
  464   1HB   LEU  58          2HB       LEU  58   5.565  -4.863   9.290
  465   2HB   LEU  58          3HB       LEU  58   6.826  -5.838  10.032
  466    HG   LEU  58           HG       LEU  58   5.606  -5.471  12.284
  467   1HD1  LEU  58          1HD1      LEU  58   4.149  -3.628  11.764
  468   2HD1  LEU  58          2HD1      LEU  58   3.477  -4.476  10.347
  469   3HD1  LEU  58          3HD1      LEU  58   3.121  -5.049  11.982
  470   1HD2  LEU  58          1HD2      LEU  58   4.124  -6.996  10.117
  471   2HD2  LEU  58          2HD2      LEU  58   5.546  -7.589  11.005
  472   3HD2  LEU  58          3HD2      LEU  58   4.035  -7.269  11.870
  473    H    TYR  59           H        TYR  59   7.210  -2.124  12.586
  474    HA   TYR  59           HA       TYR  59   9.336  -3.790  13.828
  475   1HB   TYR  59          2HB       TYR  59   8.434  -1.022  14.628
  476   2HB   TYR  59          3HB       TYR  59   9.899  -1.867  15.092
  477    HD1  TYR  59           HD1      TYR  59  11.353  -2.723  12.882
  478    HD2  TYR  59           HD2      TYR  59   8.609   0.607  12.939
  479    HE1  TYR  59           HE1      TYR  59  12.517  -1.706  10.935
  480    HE2  TYR  59           HE2      TYR  59   9.801   1.640  11.077
  481    HH   TYR  59           HH       TYR  59  11.527   1.529   9.591
  482    H    LEU  60           H        LEU  60   8.437  -5.398  14.828
  483    HA   LEU  60           HA       LEU  60   6.060  -5.246  16.551
  484   1HB   LEU  60          2HB       LEU  60   8.006  -7.373  15.595
  485   2HB   LEU  60          3HB       LEU  60   6.926  -7.726  16.921
  486    HG   LEU  60           HG       LEU  60   5.793  -6.610  14.340
  487   1HD1  LEU  60          1HD1      LEU  60   7.132  -8.560  13.669
  488   2HD1  LEU  60          2HD1      LEU  60   6.356  -9.546  14.931
  489   3HD1  LEU  60          3HD1      LEU  60   5.400  -8.918  13.566
  490   1HD2  LEU  60          1HD2      LEU  60   3.771  -7.722  15.088
  491   2HD2  LEU  60          2HD2      LEU  60   4.645  -8.556  16.392
  492   3HD2  LEU  60          3HD2      LEU  60   4.415  -6.814  16.476
  493    H    ASP  61           H        ASP  61   6.057  -5.658  18.801
  494    HA   ASP  61           HA       ASP  61   8.387  -4.720  20.272
  495   1HB   ASP  61          2HB       ASP  61   6.061  -4.439  21.086
  496   2HB   ASP  61          3HB       ASP  61   5.918  -6.194  21.268
  497    H    GLU  62           H        GLU  62   9.766  -5.827  21.564
  498    HA   GLU  62           HA       GLU  62  10.874  -8.309  20.508
  499   1HB   GLU  62          2HB       GLU  62  11.683  -6.344  22.686
  500   2HB   GLU  62          3HB       GLU  62  12.657  -7.757  22.287
  501   1HG   GLU  62          2HG       GLU  62  11.934  -5.735  20.141
  502   2HG   GLU  62          3HG       GLU  62  13.282  -5.491  21.243
  503    H    LEU  63           H        LEU  63   8.443  -8.734  21.598
  504    HA   LEU  63           HA       LEU  63   8.675 -10.780  23.658
  505   1HB   LEU  63          2HB       LEU  63   8.837  -8.715  24.967
  506   2HB   LEU  63          3HB       LEU  63   7.353  -8.093  24.281
  507    HG   LEU  63           HG       LEU  63   7.207 -10.738  25.729
  508   1HD1  LEU  63          1HD1      LEU  63   8.648  -9.408  27.204
  509   2HD1  LEU  63          2HD1      LEU  63   7.496  -8.055  27.141
  510   3HD1  LEU  63          3HD1      LEU  63   7.035  -9.593  27.912
  511   1HD2  LEU  63          1HD2      LEU  63   5.431  -8.243  25.732
  512   2HD2  LEU  63          2HD2      LEU  63   5.138  -9.700  24.768
  513   3HD2  LEU  63          3HD2      LEU  63   5.059  -9.791  26.529
  514    H    SER  64           H        SER  64   6.764  -8.892  21.367
  515    HA   SER  64           HA       SER  64   4.327 -10.389  21.444
  516   1HB   SER  64          2HB       SER  64   3.894  -9.261  19.337
  517   2HB   SER  64          3HB       SER  64   4.609  -8.109  20.472
  518    HG   SER  64           HG       SER  64   6.665  -8.454  19.384
  519    H    ASP  65           H        ASP  65   3.542 -11.648  19.520
  520    HA   ASP  65           HA       ASP  65   5.500 -13.304  18.082
  521   1HB   ASP  65          2HB       ASP  65   3.627 -14.340  20.228
  522   2HB   ASP  65          3HB       ASP  65   3.948 -15.318  18.800
  523    H    ALA  66           H        ALA  66   4.769 -12.356  16.230
  524    HA   ALA  66           HA       ALA  66   1.976 -12.896  15.369
  525   1HB   ALA  66          1HB       ALA  66   2.580 -10.502  15.496
  526   2HB   ALA  66          2HB       ALA  66   3.930 -10.787  14.371
  527   3HB   ALA  66          3HB       ALA  66   2.251 -11.009  13.831
  528    H    ASP  67           H        ASP  67   1.885 -13.127  12.827
  529    HA   ASP  67           HA       ASP  67   3.238 -15.569  12.389
  530   1HB   ASP  67          2HB       ASP  67   1.404 -13.951  10.576
  531   2HB   ASP  67          3HB       ASP  67   1.846 -15.638  10.326
  532    HA   PRO  68           HA       PRO  68   6.738 -14.413  10.016
  533   1HB   PRO  68          2HB       PRO  68   7.505 -16.783   8.906
  534   2HB   PRO  68          3HB       PRO  68   7.411 -16.529  10.669
  535   1HG   PRO  68          2HG       PRO  68   5.268 -17.735   8.878
  536   2HG   PRO  68          3HG       PRO  68   5.997 -18.450  10.356
  537   1HD   PRO  68          2HD       PRO  68   3.674 -17.066  10.476
  538   2HD   PRO  68          3HD       PRO  68   4.906 -16.902  11.762
  539    H    GLY  69           H        GLY  69   4.546 -13.478   8.740
  540   1HA   GLY  69          2HA       GLY  69   5.550 -12.719   6.227
  541   2HA   GLY  69          3HA       GLY  69   4.334 -13.958   5.909
  542    H    ILE  70           H        ILE  70   3.774 -11.924   8.730
  543    HA   ILE  70           HA       ILE  70   1.189 -11.390   7.791
  544    HB   ILE  70           HB       ILE  70   2.134 -11.764  10.134
  545   1HG1  ILE  70          2HG1      ILE  70   0.093  -9.557   9.868
  546   2HG1  ILE  70          3HG1      ILE  70  -0.218 -11.271   9.521
  547   1HG2  ILE  70          1HG2      ILE  70   3.800  -9.865  10.062
  548   2HG2  ILE  70          2HG2      ILE  70   2.421  -8.739  10.196
  549   3HG2  ILE  70          3HG2      ILE  70   2.776  -9.893  11.493
  550   1HD1  ILE  70          1HD1      ILE  70   0.384 -11.892  11.823
  551   2HD1  ILE  70          2HD1      ILE  70   0.656 -10.186  12.218
  552   3HD1  ILE  70          3HD1      ILE  70  -0.966 -10.750  11.776
  553    H    VAL  71           H        VAL  71   4.035  -9.333   7.572
  554    HA   VAL  71           HA       VAL  71   2.428  -7.070   6.566
  555    HB   VAL  71           HB       VAL  71   4.196  -6.455   7.960
  556   1HG1  VAL  71          1HG1      VAL  71   5.805  -8.314   7.699
  557   2HG1  VAL  71          2HG1      VAL  71   6.172  -7.778   6.046
  558   3HG1  VAL  71          3HG1      VAL  71   6.595  -6.759   7.432
  559   1HG2  VAL  71          1HG2      VAL  71   5.005  -5.682   5.141
  560   2HG2  VAL  71          2HG2      VAL  71   3.658  -4.967   6.055
  561   3HG2  VAL  71          3HG2      VAL  71   5.325  -4.786   6.634
  562    H    ASP  72           H        ASP  72   4.667  -9.604   5.294
  563    HA   ASP  72           HA       ASP  72   4.769  -8.808   2.635
  564   1HB   ASP  72          2HB       ASP  72   4.470 -11.676   3.606
  565   2HB   ASP  72          3HB       ASP  72   5.299 -11.104   2.166
  566    H    GLU  73           H        GLU  73   2.172 -10.657   4.299
  567    HA   GLU  73           HA       GLU  73   0.386 -10.865   2.060
  568   1HB   GLU  73          2HB       GLU  73  -0.171 -10.542   5.039
  569   2HB   GLU  73          3HB       GLU  73  -1.400 -10.824   3.796
  570   1HG   GLU  73          2HG       GLU  73  -0.290 -12.986   3.240
  571   2HG   GLU  73          3HG       GLU  73   0.706 -12.783   4.689
  572    H    ALA  74           H        ALA  74   0.952  -8.103   4.361
  573    HA   ALA  74           HA       ALA  74  -1.353  -6.609   3.448
  574   1HB   ALA  74          1HB       ALA  74  -0.061  -6.282   5.652
  575   2HB   ALA  74          2HB       ALA  74   1.187  -5.465   4.682
  576   3HB   ALA  74          3HB       ALA  74  -0.451  -4.811   4.734
  577    H    VAL  75           H        VAL  75   2.127  -6.627   2.556
  578    HA   VAL  75           HA       VAL  75   1.815  -4.502   0.629
  579    HB   VAL  75           HB       VAL  75   4.025  -6.552   0.367
  580   1HG1  VAL  75          1HG1      VAL  75   3.629  -4.597  -1.271
  581   2HG1  VAL  75          2HG1      VAL  75   3.999  -3.527   0.084
  582   3HG1  VAL  75          3HG1      VAL  75   5.233  -4.650  -0.513
  583   1HG2  VAL  75          1HG2      VAL  75   3.748  -4.391   2.496
  584   2HG2  VAL  75          2HG2      VAL  75   4.319  -6.069   2.660
  585   3HG2  VAL  75          3HG2      VAL  75   5.345  -4.893   1.876
  586    H    ASP  76           H        ASP  76   1.933  -8.140   0.150
  587    HA   ASP  76           HA       ASP  76   1.249  -7.986  -2.589
  588   1HB   ASP  76          2HB       ASP  76   2.018 -10.044  -1.305
  589   2HB   ASP  76          3HB       ASP  76   0.312 -10.261  -0.862
  590    H    ALA  77           H        ALA  77  -0.988  -7.888   0.253
  591    HA   ALA  77           HA       ALA  77  -3.365  -7.907  -1.325
  592   1HB   ALA  77          1HB       ALA  77  -3.375  -8.243   1.101
  593   2HB   ALA  77          2HB       ALA  77  -2.824  -6.574   1.363
  594   3HB   ALA  77          3HB       ALA  77  -4.425  -6.883   0.657
  595    H    ALA  78           H        ALA  78  -1.272  -5.128  -0.297
  596    HA   ALA  78           HA       ALA  78  -2.790  -3.144  -1.707
  597   1HB   ALA  78          1HB       ALA  78  -1.114  -2.574  -0.031
  598   2HB   ALA  78          2HB       ALA  78   0.199  -3.194  -1.061
  599   3HB   ALA  78          3HB       ALA  78  -0.744  -1.785  -1.571
  600    H    TYR  79           H        TYR  79  -0.090  -5.289  -2.849
  601    HA   TYR  79           HA       TYR  79  -0.050  -4.195  -5.496
  602   1HB   TYR  79          2HB       TYR  79   0.735  -6.928  -4.419
  603   2HB   TYR  79          3HB       TYR  79   0.908  -6.489  -6.097
  604    HD1  TYR  79           HD1      TYR  79   2.104  -4.141  -6.537
  605    HD2  TYR  79           HD2      TYR  79   2.728  -6.672  -3.080
  606    HE1  TYR  79           HE1      TYR  79   4.385  -3.205  -6.269
  607    HE2  TYR  79           HE2      TYR  79   5.046  -5.790  -2.884
  608    HH   TYR  79           HH       TYR  79   6.358  -3.342  -5.120
  609    H    ARG  80           H        ARG  80  -1.964  -7.029  -4.238
  610    HA   ARG  80           HA       ARG  80  -3.282  -7.538  -6.757
  611   1HB   ARG  80          2HB       ARG  80  -4.398  -8.003  -3.948
  612   2HB   ARG  80          3HB       ARG  80  -5.023  -8.680  -5.443
  613   1HG   ARG  80          2HG       ARG  80  -2.505  -9.433  -3.975
  614   2HG   ARG  80          3HG       ARG  80  -3.903 -10.408  -4.312
  615   1HD   ARG  80          2HD       ARG  80  -2.949 -11.217  -6.152
  616   2HD   ARG  80          3HD       ARG  80  -2.875  -9.607  -6.859
  617    HE   ARG  80           HE       ARG  80  -0.784 -10.478  -4.891
  618   1HH1  ARG  80          1HH2      ARG  80  -1.489  -9.565  -8.316
  619   2HH1  ARG  80          2HH2      ARG  80   0.164  -9.457  -8.703
  620   1HH2  ARG  80          1HH1      ARG  80   1.318 -10.190  -5.446
  621   2HH2  ARG  80          2HH1      ARG  80   1.764  -9.858  -7.121
  622    H    SER  81           H        SER  81  -4.154  -5.420  -4.011
  623    HA   SER  81           HA       SER  81  -6.650  -4.571  -5.087
  624   1HB   SER  81          2HB       SER  81  -5.861  -4.223  -2.727
  625   2HB   SER  81          3HB       SER  81  -4.750  -2.969  -3.319
  626    HG   SER  81           HG       SER  81  -7.587  -3.022  -3.473
  627    H    LEU  82           H        LEU  82  -3.369  -3.049  -5.384
  628    HA   LEU  82           HA       LEU  82  -4.146  -0.966  -7.124
  629   1HB   LEU  82          2HB       LEU  82  -2.056  -1.256  -5.761
  630   2HB   LEU  82          3HB       LEU  82  -1.462  -2.411  -6.925
  631    HG   LEU  82           HG       LEU  82  -0.542  -0.055  -6.984
  632   1HD1  LEU  82          1HD1      LEU  82  -0.427   0.091  -9.438
  633   2HD1  LEU  82          2HD1      LEU  82  -0.160  -1.557  -8.841
  634   3HD1  LEU  82          3HD1      LEU  82  -1.707  -1.116  -9.578
  635   1HD2  LEU  82          1HD2      LEU  82  -3.163   0.674  -8.334
  636   2HD2  LEU  82          2HD2      LEU  82  -2.691   1.169  -6.698
  637   3HD2  LEU  82          3HD2      LEU  82  -1.749   1.716  -8.096
  638    H    GLU  83           H        GLU  83  -2.949  -4.260  -7.887
  639    HA   GLU  83           HA       GLU  83  -2.905  -4.118 -10.704
  640   1HB   GLU  83          2HB       GLU  83  -1.872  -5.816  -9.323
  641   2HB   GLU  83          3HB       GLU  83  -3.439  -6.367  -8.737
  642   1HG   GLU  83          2HG       GLU  83  -3.968  -7.295 -10.934
  643   2HG   GLU  83          3HG       GLU  83  -2.444  -6.653 -11.586
  644    H    SER  84           H        SER  84  -5.695  -5.022  -8.552
  645    HA   SER  84           HA       SER  84  -7.531  -5.118 -10.839
  646   1HB   SER  84          2HB       SER  84  -8.092  -4.961  -7.850
  647   2HB   SER  84          3HB       SER  84  -9.284  -5.288  -9.125
  648    HG   SER  84           HG       SER  84  -7.528  -7.019  -9.645
  649    H    PHE  85           H        PHE  85  -6.502  -2.519  -8.617
  650    HA   PHE  85           HA       PHE  85  -8.727  -0.816  -8.967
  651   1HB   PHE  85          2HB       PHE  85  -7.007  -0.624  -7.228
  652   2HB   PHE  85          3HB       PHE  85  -5.805  -0.181  -8.426
  653    HD1  PHE  85           HD1      PHE  85  -8.015   1.026  -5.977
  654    HD2  PHE  85           HD2      PHE  85  -6.348   2.019  -9.816
  655    HE1  PHE  85           HE1      PHE  85  -8.228   3.437  -5.435
  656    HE2  PHE  85           HE2      PHE  85  -6.555   4.445  -9.276
  657    HZ   PHE  85           HZ       PHE  85  -7.488   5.152  -7.081
  658    H    LEU  86           H        LEU  86  -5.688  -0.955 -10.980
  659    HA   LEU  86           HA       LEU  86  -6.633   1.273 -12.629
  660   1HB   LEU  86          2HB       LEU  86  -4.456  -0.813 -13.082
  661   2HB   LEU  86          3HB       LEU  86  -4.883   0.414 -14.246
  662    HG   LEU  86           HG       LEU  86  -2.966   1.211 -13.211
  663   1HD1  LEU  86          1HD1      LEU  86  -4.749   2.951 -13.459
  664   2HD1  LEU  86          2HD1      LEU  86  -5.166   2.719 -11.749
  665   3HD1  LEU  86          3HD1      LEU  86  -3.559   3.308 -12.195
  666   1HD2  LEU  86          1HD2      LEU  86  -4.204   0.821 -10.468
  667   2HD2  LEU  86          2HD2      LEU  86  -2.993  -0.233 -11.225
  668   3HD2  LEU  86          3HD2      LEU  86  -2.584   1.446 -10.837
  669    H    ASP  87           H        ASP  87  -6.909  -2.266 -12.885
  670    HA   ASP  87           HA       ASP  87  -8.224  -2.379 -15.427
  671   1HB   ASP  87          2HB       ASP  87  -7.345  -4.346 -14.299
  672   2HB   ASP  87          3HB       ASP  87  -8.403  -4.096 -12.917
  673    H    GLY  88           H        GLY  88  -9.390  -1.710 -12.087
  674   1HA   GLY  88          2HA       GLY  88 -12.168  -1.553 -12.728
  675   2HA   GLY  88          3HA       GLY  88 -11.365  -0.909 -11.290
  676    H    PHE  89           H        PHE  89  -9.747   0.668 -13.666
  677    HA   PHE  89           HA       PHE  89 -11.817   2.807 -13.968
  678   1HB   PHE  89          2HB       PHE  89  -8.969   3.160 -12.991
  679   2HB   PHE  89          3HB       PHE  89 -10.034   4.478 -13.468
  680    HD1  PHE  89           HD1      PHE  89  -8.777   3.003 -10.640
  681    HD2  PHE  89           HD2      PHE  89 -12.562   4.164 -12.322
  682    HE1  PHE  89           HE1      PHE  89  -9.761   3.125  -8.368
  683    HE2  PHE  89           HE2      PHE  89 -13.523   4.347 -10.052
  684    HZ   PHE  89           HZ       PHE  89 -12.125   3.817  -8.063
  685    H    ARG  90           H        ARG  90  -9.142   1.169 -15.589
  686    HA   ARG  90           HA       ARG  90 -10.037   2.669 -18.029
  687   1HB   ARG  90          2HB       ARG  90  -7.219   1.652 -17.868
  688   2HB   ARG  90          3HB       ARG  90  -7.919   2.811 -18.959
  689   1HG   ARG  90          2HG       ARG  90  -6.714   4.273 -17.719
  690   2HG   ARG  90          3HG       ARG  90  -8.188   4.263 -16.767
  691   1HD   ARG  90          2HD       ARG  90  -6.603   3.981 -15.108
  692   2HD   ARG  90          3HD       ARG  90  -6.977   2.300 -15.436
  693    HE   ARG  90           HE       ARG  90  -4.518   3.783 -16.053
  694   1HH1  ARG  90          1HH2      ARG  90  -6.132   0.662 -16.699
  695   2HH1  ARG  90          2HH2      ARG  90  -4.669  -0.066 -17.216
  696   1HH2  ARG  90          1HH1      ARG  90  -2.670   2.718 -16.585
  697   2HH2  ARG  90          2HH1      ARG  90  -2.729   1.050 -17.059
  698    H    GLU  91           H        GLU  91  -9.612  -0.452 -16.626
  699    HA   GLU  91           HA       GLU  91  -9.522  -2.557 -17.443
  700   1HB   GLU  91          2HB       GLU  91 -11.603  -1.582 -18.661
  701   2HB   GLU  91          3HB       GLU  91 -10.612  -1.636 -20.114
  702   1HG   GLU  91          2HG       GLU  91 -10.349  -4.089 -19.829
  703   2HG   GLU  91          3HG       GLU  91 -11.240  -4.014 -18.307
  Start of MODEL   22
    1    H    MET   1           H1       MET   1 -15.189   5.480 -13.270
    2    HA   MET   1           HA       MET   1 -14.516   4.330 -15.233
    3   1HB   MET   1          2HB       MET   1 -16.947   5.723 -16.450
    4   2HB   MET   1          3HB       MET   1 -15.636   5.012 -17.402
    5   1HG   MET   1          2HG       MET   1 -17.474   3.529 -15.491
    6   2HG   MET   1          3HG       MET   1 -17.446   3.425 -17.254
    7   1HE   MET   1          1HE       MET   1 -17.425   0.800 -15.535
    8   2HE   MET   1          2HE       MET   1 -17.285   0.823 -17.311
    9   3HE   MET   1          3HE       MET   1 -16.137  -0.125 -16.341
   10    H    SER   2           H        SER   2 -12.867   5.252 -16.347
   11    HA   SER   2           HA       SER   2 -11.214   6.703 -16.725
   12   1HB   SER   2          2HB       SER   2 -13.387   8.802 -17.001
   13   2HB   SER   2          3HB       SER   2 -11.697   8.978 -17.500
   14    HG   SER   2           HG       SER   2 -13.054   8.292 -19.221
   15    H    LEU   3           H        LEU   3 -10.017   8.659 -16.000
   16    HA   LEU   3           HA       LEU   3 -10.355   9.173 -13.110
   17   1HB   LEU   3          2HB       LEU   3  -7.996   8.708 -12.818
   18   2HB   LEU   3          3HB       LEU   3  -8.830   7.306 -13.453
   19    HG   LEU   3           HG       LEU   3  -7.587   9.063 -15.540
   20   1HD1  LEU   3          1HD1      LEU   3  -5.881   9.194 -13.806
   21   2HD1  LEU   3          2HD1      LEU   3  -5.876   7.422 -13.629
   22   3HD1  LEU   3          3HD1      LEU   3  -5.327   8.180 -15.145
   23   1HD2  LEU   3          1HD2      LEU   3  -7.415   6.072 -15.017
   24   2HD2  LEU   3          2HD2      LEU   3  -8.637   6.831 -16.055
   25   3HD2  LEU   3          3HD2      LEU   3  -6.925   6.914 -16.499
   26    H    ARG   4           H        ARG   4  -8.362  10.803 -12.533
   27    HA   ARG   4           HA       ARG   4  -8.979  13.246 -14.091
   28   1HB   ARG   4          2HB       ARG   4  -7.675  12.691 -11.389
   29   2HB   ARG   4          3HB       ARG   4  -7.751  14.314 -12.075
   30   1HG   ARG   4          2HG       ARG   4 -10.215  12.589 -11.559
   31   2HG   ARG   4          3HG       ARG   4  -9.562  13.727 -10.383
   32   1HD   ARG   4          2HD       ARG   4 -10.041  15.613 -11.713
   33   2HD   ARG   4          3HD       ARG   4 -10.278  14.651 -13.183
   34    HE   ARG   4           HE       ARG   4 -12.202  13.700 -11.452
   35   1HH1  ARG   4          1HH2      ARG   4 -11.501  16.883 -12.730
   36   2HH1  ARG   4          2HH2      ARG   4 -13.178  17.347 -12.817
   37   1HH2  ARG   4          1HH1      ARG   4 -14.357  14.324 -11.605
   38   2HH2  ARG   4          2HH1      ARG   4 -14.762  15.911 -12.182
   39    H    LYS   5           H        LYS   5  -7.126  14.801 -14.373
   40    HA   LYS   5           HA       LYS   5  -4.990  13.577 -15.933
   41   1HB   LYS   5          2HB       LYS   5  -5.323  16.441 -14.913
   42   2HB   LYS   5          3HB       LYS   5  -4.039  15.858 -15.975
   43   1HG   LYS   5          2HG       LYS   5  -6.152  15.015 -17.436
   44   2HG   LYS   5          3HG       LYS   5  -6.942  16.351 -16.585
   45   1HD   LYS   5          2HD       LYS   5  -4.403  16.462 -18.264
   46   2HD   LYS   5          3HD       LYS   5  -5.995  17.080 -18.745
   47   1HE   LYS   5          2HE       LYS   5  -5.917  18.770 -16.951
   48   2HE   LYS   5          3HE       LYS   5  -4.383  18.115 -16.365
   49   1HZ   LYS   5          1HZ       LYS   5  -3.379  18.710 -18.478
   50   2HZ   LYS   5          2HZ       LYS   5  -4.796  19.340 -19.025
   51   3HZ   LYS   5          3HZ       LYS   5  -4.016  20.040 -17.755
   52    H    LEU   6           H        LEU   6  -3.438  12.459 -14.978
   53    HA   LEU   6           HA       LEU   6  -3.086  12.545 -12.163
   54   1HB   LEU   6          2HB       LEU   6  -1.451  11.196 -14.356
   55   2HB   LEU   6          3HB       LEU   6  -1.196  10.928 -12.640
   56    HG   LEU   6           HG       LEU   6  -3.735  10.247 -14.168
   57   1HD1  LEU   6          1HD1      LEU   6  -1.808   8.794 -14.693
   58   2HD1  LEU   6          2HD1      LEU   6  -1.563   8.482 -12.959
   59   3HD1  LEU   6          3HD1      LEU   6  -3.039   7.917 -13.770
   60   1HD2  LEU   6          1HD2      LEU   6  -2.975   9.837 -11.240
   61   2HD2  LEU   6          2HD2      LEU   6  -4.368  10.750 -11.882
   62   3HD2  LEU   6          3HD2      LEU   6  -4.313   8.993 -12.033
   63    H    THR   7           H        THR   7  -2.049  14.012 -11.024
   64    HA   THR   7           HA       THR   7   0.767  14.660 -11.713
   65    HB   THR   7           HB       THR   7  -0.629  16.533 -12.483
   66    HG1  THR   7           1HG      THR   7   0.539  18.101 -11.340
   67   1HG2  THR   7          1HG2      THR   7  -2.512  16.482 -10.917
   68   2HG2  THR   7          2HG2      THR   7  -1.435  16.878  -9.563
   69   3HG2  THR   7          3HG2      THR   7  -1.705  18.053 -10.866
   70    H    GLU   8           H        GLU   8   1.310  16.196  -9.519
   71    HA   GLU   8           HA       GLU   8   2.116  14.369  -7.589
   72   1HB   GLU   8          2HB       GLU   8   1.439  17.315  -7.222
   73   2HB   GLU   8          3HB       GLU   8   2.414  16.353  -6.105
   74   1HG   GLU   8          2HG       GLU   8   4.134  16.009  -7.801
   75   2HG   GLU   8          3HG       GLU   8   3.156  16.814  -9.031
   76    H    GLY   9           H        GLY   9  -0.948  16.232  -7.527
   77   1HA   GLY   9          2HA       GLY   9  -1.805  15.410  -4.924
   78   2HA   GLY   9          3HA       GLY   9  -2.834  16.036  -6.224
   79    H    ASP  10           H        ASP  10  -2.715  14.078  -8.206
   80    HA   ASP  10           HA       ASP  10  -4.419  12.033  -7.189
   81   1HB   ASP  10          2HB       ASP  10  -2.792  11.790  -9.737
   82   2HB   ASP  10          3HB       ASP  10  -4.414  11.189  -9.400
   83    H    LEU  11           H        LEU  11  -0.942  12.092  -7.992
   84    HA   LEU  11           HA       LEU  11  -0.432   9.312  -7.402
   85   1HB   LEU  11          2HB       LEU  11   1.248  11.788  -7.766
   86   2HB   LEU  11          3HB       LEU  11   1.986  10.311  -7.185
   87    HG   LEU  11           HG       LEU  11   1.539   9.121  -9.145
   88   1HD1  LEU  11          1HD1      LEU  11  -0.743   9.690  -9.746
   89   2HD1  LEU  11          2HD1      LEU  11  -0.218  11.311 -10.270
   90   3HD1  LEU  11          3HD1      LEU  11   0.343   9.860 -11.125
   91   1HD2  LEU  11          1HD2      LEU  11   2.279  11.931 -10.023
   92   2HD2  LEU  11          2HD2      LEU  11   3.386  10.744  -9.292
   93   3HD2  LEU  11          3HD2      LEU  11   2.667  10.420 -10.878
   94    H    ASP  12           H        ASP  12  -0.119  12.278  -5.324
   95    HA   ASP  12           HA       ASP  12   0.634  10.827  -2.978
   96   1HB   ASP  12          2HB       ASP  12   0.865  13.274  -3.288
   97   2HB   ASP  12          3HB       ASP  12  -0.895  13.446  -3.227
   98    H    GLU  13           H        GLU  13  -2.641  11.626  -4.296
   99    HA   GLU  13           HA       GLU  13  -4.100  10.466  -2.134
  100   1HB   GLU  13          2HB       GLU  13  -5.041  11.989  -3.850
  101   2HB   GLU  13          3HB       GLU  13  -4.910  10.705  -5.061
  102   1HG   GLU  13          2HG       GLU  13  -6.473   9.300  -3.743
  103   2HG   GLU  13          3HG       GLU  13  -6.547  10.545  -2.492
  104    H    ILE  14           H        ILE  14  -2.970   8.935  -5.233
  105    HA   ILE  14           HA       ILE  14  -3.978   6.322  -4.562
  106    HB   ILE  14           HB       ILE  14  -1.794   7.263  -6.436
  107   1HG1  ILE  14          2HG1      ILE  14  -4.555   6.032  -6.925
  108   2HG1  ILE  14          3HG1      ILE  14  -4.211   7.753  -6.974
  109   1HG2  ILE  14          1HG2      ILE  14  -1.133   4.989  -5.739
  110   2HG2  ILE  14          2HG2      ILE  14  -2.778   4.394  -6.059
  111   3HG2  ILE  14          3HG2      ILE  14  -1.728   4.949  -7.381
  112   1HD1  ILE  14          1HD1      ILE  14  -2.614   7.347  -8.888
  113   2HD1  ILE  14          2HD1      ILE  14  -3.181   5.650  -8.930
  114   3HD1  ILE  14          3HD1      ILE  14  -4.313   6.963  -9.234
  115    H    SER  15           H        SER  15  -0.671   7.751  -4.045
  116    HA   SER  15           HA       SER  15   0.373   5.504  -2.642
  117   1HB   SER  15          2HB       SER  15   1.049   8.435  -2.790
  118   2HB   SER  15          3HB       SER  15   1.850   7.412  -1.586
  119    HG   SER  15           HG       SER  15   2.971   7.440  -3.568
  120    H    SER  16           H        SER  16  -1.534   8.280  -1.384
  121    HA   SER  16           HA       SER  16  -1.505   7.466   1.363
  122   1HB   SER  16          2HB       SER  16  -3.656   9.005  -0.148
  123   2HB   SER  16          3HB       SER  16  -3.471   8.899   1.612
  124    HG   SER  16           HG       SER  16  -1.732  10.099  -0.298
  125    H    PHE  17           H        PHE  17  -3.834   6.696  -1.308
  126    HA   PHE  17           HA       PHE  17  -5.583   5.053   0.226
  127   1HB   PHE  17          2HB       PHE  17  -6.265   5.777  -1.931
  128   2HB   PHE  17          3HB       PHE  17  -4.823   5.154  -2.704
  129    HD1  PHE  17           HD1      PHE  17  -7.851   3.990  -0.812
  130    HD2  PHE  17           HD2      PHE  17  -4.824   3.028  -3.736
  131    HE1  PHE  17           HE1      PHE  17  -8.993   1.838  -1.293
  132    HE2  PHE  17           HE2      PHE  17  -5.982   0.885  -4.221
  133    HZ   PHE  17           HZ       PHE  17  -8.062   0.289  -2.993
  134    H    LEU  18           H        LEU  18  -2.548   4.189  -1.498
  135    HA   LEU  18           HA       LEU  18  -2.617   1.403  -0.783
  136   1HB   LEU  18          2HB       LEU  18  -0.329   3.287  -1.468
  137   2HB   LEU  18          3HB       LEU  18  -0.139   1.539  -1.309
  138    HG   LEU  18           HG       LEU  18  -2.031   2.857  -3.308
  139   1HD1  LEU  18          1HD1      LEU  18   0.302   3.482  -3.793
  140   2HD1  LEU  18          2HD1      LEU  18   0.775   1.772  -3.755
  141   3HD1  LEU  18          3HD1      LEU  18  -0.342   2.370  -5.005
  142   1HD2  LEU  18          1HD2      LEU  18  -0.980   0.016  -3.200
  143   2HD2  LEU  18          2HD2      LEU  18  -2.626   0.522  -2.746
  144   3HD2  LEU  18          3HD2      LEU  18  -2.073   0.742  -4.395
  145    H    HIS  19           H        HIS  19  -0.922   4.172   0.827
  146    HA   HIS  19           HA       HIS  19   0.120   2.691   3.004
  147   1HB   HIS  19          2HB       HIS  19   0.776   4.977   2.426
  148   2HB   HIS  19          3HB       HIS  19  -0.830   5.575   2.830
  149    HD1  HIS  19           HD1      HIS  19   0.295   7.218   4.635
  150    HD2  HIS  19           HD2      HIS  19   0.772   3.105   5.337
  151    HE1  HIS  19           HE1      HIS  19   1.156   6.973   7.032
  152    H    ASN  20           H        ASN  20  -3.083   4.350   2.757
  153    HA   ASN  20           HA       ASN  20  -4.055   3.495   5.308
  154   1HB   ASN  20          2HB       ASN  20  -5.491   4.241   2.725
  155   2HB   ASN  20          3HB       ASN  20  -6.307   3.959   4.266
  156   1HD2  ASN  20          2HD2      ASN  20  -6.585   6.407   2.958
  157   2HD2  ASN  20          1HD2      ASN  20  -5.738   7.609   3.935
  158    H    THR  21           H        THR  21  -4.277   1.915   2.075
  159    HA   THR  21           HA       THR  21  -5.942  -0.251   2.850
  160    HB   THR  21           HB       THR  21  -3.770  -0.171   0.712
  161    HG1  THR  21           1HG      THR  21  -5.304   1.376   0.341
  162   1HG2  THR  21          1HG2      THR  21  -4.402  -2.505   1.078
  163   2HG2  THR  21          2HG2      THR  21  -6.128  -2.066   1.069
  164   3HG2  THR  21          3HG2      THR  21  -5.157  -1.915  -0.409
  165    H    ILE  22           H        ILE  22  -2.333  -0.073   2.807
  166    HA   ILE  22           HA       ILE  22  -1.981  -2.691   3.984
  167    HB   ILE  22           HB       ILE  22  -0.122  -0.272   3.954
  168   1HG1  ILE  22          2HG1      ILE  22  -0.453  -2.727   2.180
  169   2HG1  ILE  22          3HG1      ILE  22  -0.689  -1.039   1.727
  170   1HG2  ILE  22          1HG2      ILE  22   0.522  -1.871   5.744
  171   2HG2  ILE  22          2HG2      ILE  22   0.514  -3.197   4.552
  172   3HG2  ILE  22          3HG2      ILE  22   1.694  -1.908   4.435
  173   1HD1  ILE  22          1HD1      ILE  22   1.774  -0.684   2.211
  174   2HD1  ILE  22          2HD1      ILE  22   1.910  -2.463   2.255
  175   3HD1  ILE  22          3HD1      ILE  22   1.334  -1.665   0.774
  176    H    SER  23           H        SER  23  -2.290   0.578   5.420
  177    HA   SER  23           HA       SER  23  -1.840  -0.149   8.117
  178   1HB   SER  23          2HB       SER  23  -3.715   2.015   7.091
  179   2HB   SER  23          3HB       SER  23  -3.040   1.876   8.721
  180    HG   SER  23           HG       SER  23  -1.657   2.361   6.270
  181    H    ASP  24           H        ASP  24  -5.071   0.064   6.409
  182    HA   ASP  24           HA       ASP  24  -6.557  -1.197   8.486
  183   1HB   ASP  24          2HB       ASP  24  -6.922  -0.874   5.519
  184   2HB   ASP  24          3HB       ASP  24  -7.944  -2.004   6.356
  185    H    PHE  25           H        PHE  25  -4.693  -2.777   5.803
  186    HA   PHE  25           HA       PHE  25  -5.720  -5.371   6.455
  187   1HB   PHE  25          2HB       PHE  25  -4.525  -4.609   4.338
  188   2HB   PHE  25          3HB       PHE  25  -3.012  -4.788   5.209
  189    HD1  PHE  25           HD1      PHE  25  -5.858  -6.505   3.621
  190    HD2  PHE  25           HD2      PHE  25  -2.213  -7.063   5.841
  191    HE1  PHE  25           HE1      PHE  25  -5.821  -8.895   2.959
  192    HE2  PHE  25           HE2      PHE  25  -2.120  -9.412   5.098
  193    HZ   PHE  25           HZ       PHE  25  -3.917 -10.345   3.651
  194    H    ILE  26           H        ILE  26  -2.736  -3.663   7.581
  195    HA   ILE  26           HA       ILE  26  -1.806  -5.695   9.343
  196    HB   ILE  26           HB       ILE  26  -1.468  -2.692   9.072
  197   1HG1  ILE  26          2HG1      ILE  26   0.432  -5.061   8.680
  198   2HG1  ILE  26          3HG1      ILE  26  -0.454  -4.259   7.389
  199   1HG2  ILE  26          1HG2      ILE  26  -1.245  -3.172  11.474
  200   2HG2  ILE  26          2HG2      ILE  26  -0.030  -4.421  11.103
  201   3HG2  ILE  26          3HG2      ILE  26   0.281  -2.706  10.752
  202   1HD1  ILE  26          1HD1      ILE  26   1.757  -3.397   7.328
  203   2HD1  ILE  26          2HD1      ILE  26   0.736  -2.104   8.005
  204   3HD1  ILE  26          3HD1      ILE  26   1.776  -3.077   9.062
  205    H    LEU  27           H        LEU  27  -3.887  -2.783  10.045
  206    HA   LEU  27           HA       LEU  27  -4.336  -3.480  12.763
  207   1HB   LEU  27          2HB       LEU  27  -5.591  -1.619  10.763
  208   2HB   LEU  27          3HB       LEU  27  -6.565  -2.017  12.142
  209    HG   LEU  27           HG       LEU  27  -5.289   0.078  12.396
  210   1HD1  LEU  27          1HD1      LEU  27  -6.122  -1.193  14.348
  211   2HD1  LEU  27          2HD1      LEU  27  -4.564  -2.039  14.461
  212   3HD1  LEU  27          3HD1      LEU  27  -4.649  -0.281  14.707
  213   1HD2  LEU  27          1HD2      LEU  27  -2.810  -1.669  12.692
  214   2HD2  LEU  27          2HD2      LEU  27  -3.145  -0.575  11.331
  215   3HD2  LEU  27          3HD2      LEU  27  -2.925   0.080  12.958
  216    H    LYS  28           H        LYS  28  -5.715  -4.997   9.998
  217    HA   LYS  28           HA       LYS  28  -7.657  -6.429  11.776
  218   1HB   LYS  28          2HB       LYS  28  -7.758  -5.840   8.800
  219   2HB   LYS  28          3HB       LYS  28  -8.858  -6.959   9.611
  220   1HG   LYS  28          2HG       LYS  28  -9.712  -5.245  11.078
  221   2HG   LYS  28          3HG       LYS  28  -8.537  -4.063  10.519
  222   1HD   LYS  28          2HD       LYS  28 -10.739  -5.229   8.770
  223   2HD   LYS  28          3HD       LYS  28 -10.806  -3.681   9.641
  224   1HE   LYS  28          2HE       LYS  28  -8.590  -3.112   8.434
  225   2HE   LYS  28          3HE       LYS  28  -8.947  -4.473   7.374
  226   1HZ   LYS  28          1HZ       LYS  28 -11.220  -3.125   7.161
  227   2HZ   LYS  28          2HZ       LYS  28 -10.204  -1.842   7.564
  228   3HZ   LYS  28          3HZ       LYS  28  -9.887  -2.714   6.272
  229    H    ARG  29           H        ARG  29  -4.613  -6.881  10.781
  230    HA   ARG  29           HA       ARG  29  -4.972  -9.864  10.895
  231   1HB   ARG  29          2HB       ARG  29  -4.307  -9.015   8.687
  232   2HB   ARG  29          3HB       ARG  29  -2.870  -8.262   9.383
  233   1HG   ARG  29          2HG       ARG  29  -1.888 -10.384   9.920
  234   2HG   ARG  29          3HG       ARG  29  -3.395 -11.260   9.602
  235   1HD   ARG  29          2HD       ARG  29  -1.858  -9.699   7.485
  236   2HD   ARG  29          3HD       ARG  29  -1.630 -11.417   7.780
  237    HE   ARG  29           HE       ARG  29  -4.108 -10.112   6.755
  238   1HH1  ARG  29          1HH2      ARG  29  -2.145 -13.004   6.869
  239   2HH1  ARG  29          2HH2      ARG  29  -3.046 -13.775   5.777
  240   1HH2  ARG  29          1HH1      ARG  29  -5.521 -11.385   5.551
  241   2HH2  ARG  29          2HH1      ARG  29  -5.140 -13.080   5.326
  242    H    VAL  30           H        VAL  30  -3.187  -7.132  12.289
  243    HA   VAL  30           HA       VAL  30  -2.124  -8.928  14.382
  244    HB   VAL  30           HB       VAL  30  -0.440  -8.956  12.604
  245   1HG1  VAL  30          1HG1      VAL  30  -0.813  -6.794  11.532
  246   2HG1  VAL  30          2HG1      VAL  30  -0.208  -5.952  12.975
  247   3HG1  VAL  30          3HG1      VAL  30   0.874  -6.984  12.010
  248   1HG2  VAL  30          1HG2      VAL  30   0.513  -7.422  15.040
  249   2HG2  VAL  30          2HG2      VAL  30   0.294  -9.183  14.910
  250   3HG2  VAL  30          3HG2      VAL  30   1.509  -8.371  13.918
  251    H    SER  31           H        SER  31  -1.570  -7.730  16.387
  252    HA   SER  31           HA       SER  31  -3.531  -5.552  16.521
  253   1HB   SER  31          2HB       SER  31  -3.648  -7.368  18.083
  254   2HB   SER  31          3HB       SER  31  -2.026  -7.022  18.702
  255    HG   SER  31           HG       SER  31  -3.896  -6.126  19.874
  256    H    ALA  32           H        ALA  32  -3.251  -3.473  16.780
  257    HA   ALA  32           HA       ALA  32  -0.948  -1.950  16.992
  258   1HB   ALA  32          1HB       ALA  32  -3.676  -1.411  18.239
  259   2HB   ALA  32          2HB       ALA  32  -2.415  -0.201  17.915
  260   3HB   ALA  32          3HB       ALA  32  -3.188  -1.047  16.565
  261    H    LYS  33           H        LYS  33  -2.309  -3.958  19.553
  262    HA   LYS  33           HA       LYS  33  -0.846  -2.671  21.734
  263   1HB   LYS  33          2HB       LYS  33  -2.984  -4.050  21.931
  264   2HB   LYS  33          3HB       LYS  33  -1.994  -5.491  21.634
  265   1HG   LYS  33          2HG       LYS  33  -0.637  -4.949  23.658
  266   2HG   LYS  33          3HG       LYS  33  -1.611  -3.490  23.915
  267   1HD   LYS  33          2HD       LYS  33  -3.617  -4.909  24.257
  268   2HD   LYS  33          3HD       LYS  33  -2.633  -6.364  23.939
  269   1HE   LYS  33          2HE       LYS  33  -1.123  -5.698  25.832
  270   2HE   LYS  33          3HE       LYS  33  -2.198  -4.341  26.185
  271   1HZ   LYS  33          1HZ       LYS  33  -3.971  -5.950  26.593
  272   2HZ   LYS  33          2HZ       LYS  33  -2.954  -7.203  26.273
  273   3HZ   LYS  33          3HZ       LYS  33  -2.689  -6.246  27.583
  274    H    GLU  34           H        GLU  34   0.088  -4.949  19.255
  275    HA   GLU  34           HA       GLU  34   2.631  -5.568  20.729
  276   1HB   GLU  34          2HB       GLU  34   2.821  -7.571  19.311
  277   2HB   GLU  34          3HB       GLU  34   1.370  -7.592  20.323
  278   1HG   GLU  34          2HG       GLU  34   0.046  -6.797  18.421
  279   2HG   GLU  34          3HG       GLU  34   1.455  -6.886  17.351
  280    H    ILE  35           H        ILE  35   1.234  -4.303  17.728
  281    HA   ILE  35           HA       ILE  35   3.785  -3.743  16.441
  282    HB   ILE  35           HB       ILE  35   1.042  -2.464  16.044
  283   1HG1  ILE  35          2HG1      ILE  35   0.637  -4.678  15.372
  284   2HG1  ILE  35          3HG1      ILE  35   1.010  -3.843  13.892
  285   1HG2  ILE  35          1HG2      ILE  35   2.782  -1.017  15.170
  286   2HG2  ILE  35          2HG2      ILE  35   3.543  -2.370  14.307
  287   3HG2  ILE  35          3HG2      ILE  35   1.934  -1.775  13.834
  288   1HD1  ILE  35          1HD1      ILE  35   3.388  -4.749  14.118
  289   2HD1  ILE  35          2HD1      ILE  35   2.767  -5.734  15.473
  290   3HD1  ILE  35          3HD1      ILE  35   2.111  -5.956  13.855
  291    H    VAL  36           H        VAL  36   5.214  -2.378  17.254
  292    HA   VAL  36           HA       VAL  36   4.584  -0.148  19.069
  293    HB   VAL  36           HB       VAL  36   7.087  -1.149  17.653
  294   1HG1  VAL  36          1HG1      VAL  36   7.350   1.248  17.600
  295   2HG1  VAL  36          2HG1      VAL  36   6.834   1.395  19.300
  296   3HG1  VAL  36          3HG1      VAL  36   8.369   0.593  18.884
  297   1HG2  VAL  36          1HG2      VAL  36   6.417  -0.782  20.607
  298   2HG2  VAL  36          2HG2      VAL  36   6.277  -2.309  19.720
  299   3HG2  VAL  36          3HG2      VAL  36   7.867  -1.554  19.924
  300    H    ASP  37           H        ASP  37   5.623  -0.531  15.627
  301    HA   ASP  37           HA       ASP  37   3.901   1.617  14.800
  302   1HB   ASP  37          2HB       ASP  37   6.134   2.696  15.856
  303   2HB   ASP  37          3HB       ASP  37   6.784   2.338  14.270
  304    H    ILE  38           H        ILE  38   4.532   2.272  12.385
  305    HA   ILE  38           HA       ILE  38   5.681  -0.019  10.883
  306    HB   ILE  38           HB       ILE  38   3.903  -0.069   9.247
  307   1HG1  ILE  38          2HG1      ILE  38   2.311   1.808  11.049
  308   2HG1  ILE  38          3HG1      ILE  38   2.959   2.199   9.454
  309   1HG2  ILE  38          1HG2      ILE  38   3.959  -1.554  11.271
  310   2HG2  ILE  38          2HG2      ILE  38   2.700  -0.532  11.989
  311   3HG2  ILE  38          3HG2      ILE  38   2.382  -1.420  10.481
  312   1HD1  ILE  38          1HD1      ILE  38   1.526   0.416   8.444
  313   2HD1  ILE  38          2HD1      ILE  38   0.762   0.183  10.036
  314   3HD1  ILE  38          3HD1      ILE  38   0.623   1.739   9.206
  315    H    ASP  39           H        ASP  39   6.655   0.438   8.998
  316    HA   ASP  39           HA       ASP  39   6.596   3.277   8.014
  317   1HB   ASP  39          2HB       ASP  39   8.920   1.336   8.096
  318   2HB   ASP  39          3HB       ASP  39   8.833   2.627   6.910
  319    H    ILE  40           H        ILE  40   5.152   3.207   6.370
  320    HA   ILE  40           HA       ILE  40   5.523   1.055   4.313
  321    HB   ILE  40           HB       ILE  40   3.199   2.992   4.463
  322   1HG1  ILE  40          2HG1      ILE  40   2.619   1.695   6.297
  323   2HG1  ILE  40          3HG1      ILE  40   1.828   0.869   4.947
  324   1HG2  ILE  40          1HG2      ILE  40   3.761   2.134   2.227
  325   2HG2  ILE  40          2HG2      ILE  40   3.711   0.467   2.833
  326   3HG2  ILE  40          3HG2      ILE  40   2.234   1.469   2.778
  327   1HD1  ILE  40          1HD1      ILE  40   3.674  -0.798   4.932
  328   2HD1  ILE  40          2HD1      ILE  40   4.336  -0.049   6.405
  329   3HD1  ILE  40          3HD1      ILE  40   2.734  -0.774   6.441
  330    H    THR  41           H        THR  41   6.627   1.633   2.557
  331    HA   THR  41           HA       THR  41   6.866   4.549   1.876
  332    HB   THR  41           HB       THR  41   8.933   2.412   1.268
  333    HG1  THR  41           1HG      THR  41   8.594   3.011   3.541
  334   1HG2  THR  41          1HG2      THR  41   8.927   4.448  -0.216
  335   2HG2  THR  41          2HG2      THR  41   9.057   5.468   1.230
  336   3HG2  THR  41          3HG2      THR  41  10.372   4.353   0.806
  337    H    VAL  42           H        VAL  42   5.745   4.988   0.174
  338    HA   VAL  42           HA       VAL  42   5.161   2.987  -1.951
  339    HB   VAL  42           HB       VAL  42   3.177   4.665  -2.278
  340   1HG1  VAL  42          1HG1      VAL  42   2.812   2.375  -1.673
  341   2HG1  VAL  42          2HG1      VAL  42   3.286   2.686   0.017
  342   3HG1  VAL  42          3HG1      VAL  42   1.795   3.385  -0.637
  343   1HG2  VAL  42          1HG2      VAL  42   3.662   5.147   0.705
  344   2HG2  VAL  42          2HG2      VAL  42   3.879   6.367  -0.577
  345   3HG2  VAL  42          3HG2      VAL  42   2.284   5.679  -0.246
  346    H    LEU  43           H        LEU  43   6.160   3.353  -3.784
  347    HA   LEU  43           HA       LEU  43   6.889   6.156  -4.544
  348   1HB   LEU  43          2HB       LEU  43   8.215   3.548  -5.378
  349   2HB   LEU  43          3HB       LEU  43   8.639   5.150  -5.928
  350    HG   LEU  43           HG       LEU  43  10.305   4.619  -4.465
  351   1HD1  LEU  43          1HD1      LEU  43   9.387   6.869  -3.996
  352   2HD1  LEU  43          2HD1      LEU  43   8.424   6.186  -2.666
  353   3HD1  LEU  43          3HD1      LEU  43  10.194   6.142  -2.595
  354   1HD2  LEU  43          1HD2      LEU  43   8.358   3.649  -2.346
  355   2HD2  LEU  43          2HD2      LEU  43   9.294   2.617  -3.439
  356   3HD2  LEU  43          3HD2      LEU  43  10.130   3.647  -2.264
  357    H    VAL  44           H        VAL  44   6.295   6.854  -6.520
  358    HA   VAL  44           HA       VAL  44   4.976   5.040  -8.425
  359    HB   VAL  44           HB       VAL  44   3.100   5.754  -7.135
  360   1HG1  VAL  44          1HG1      VAL  44   3.972   7.750  -6.005
  361   2HG1  VAL  44          2HG1      VAL  44   3.902   8.655  -7.534
  362   3HG1  VAL  44          3HG1      VAL  44   2.414   8.040  -6.767
  363   1HG2  VAL  44          1HG2      VAL  44   3.145   7.504  -9.628
  364   2HG2  VAL  44          2HG2      VAL  44   2.948   5.751  -9.675
  365   3HG2  VAL  44          3HG2      VAL  44   1.738   6.747  -8.844
  366    H    GLU  45           H        GLU  45   5.515   5.483 -10.454
  367    HA   GLU  45           HA       GLU  45   6.849   8.035 -11.178
  368   1HB   GLU  45          2HB       GLU  45   8.208   5.526 -10.488
  369   2HB   GLU  45          3HB       GLU  45   8.508   5.921 -12.168
  370   1HG   GLU  45          2HG       GLU  45   8.913   7.918  -9.902
  371   2HG   GLU  45          3HG       GLU  45  10.162   6.811 -10.467
  372    H    TYR  46           H        TYR  46   7.358   8.155 -13.493
  373    HA   TYR  46           HA       TYR  46   5.817   6.291 -15.205
  374   1HB   TYR  46          2HB       TYR  46   4.299   8.177 -14.361
  375   2HB   TYR  46          3HB       TYR  46   5.211   9.248 -15.401
  376    HD1  TYR  46           HD1      TYR  46   5.533   7.929 -17.978
  377    HD2  TYR  46           HD2      TYR  46   2.275   7.605 -15.171
  378    HE1  TYR  46           HE1      TYR  46   4.031   7.145 -19.799
  379    HE2  TYR  46           HE2      TYR  46   0.764   6.892 -16.986
  380    HH   TYR  46           HH       TYR  46   0.584   6.408 -19.230
  381    H    THR  47           H        THR  47   7.503   5.643 -16.349
  382    HA   THR  47           HA       THR  47   9.202   7.604 -17.832
  383    HB   THR  47           HB       THR  47  10.693   7.149 -16.125
  384    HG1  THR  47           1HG      THR  47  11.047   5.146 -18.070
  385   1HG2  THR  47          1HG2      THR  47   9.621   5.399 -14.836
  386   2HG2  THR  47          2HG2      THR  47   9.861   4.214 -16.140
  387   3HG2  THR  47          3HG2      THR  47  11.254   4.881 -15.261
  388    H    ASP  48           H        ASP  48   7.765   7.137 -19.517
  389    HA   ASP  48           HA       ASP  48   6.903   6.171 -21.346
  390   1HB   ASP  48          2HB       ASP  48   9.307   5.539 -21.820
  391   2HB   ASP  48          3HB       ASP  48   8.938   3.932 -21.184
  392    H    GLU  49           H        GLU  49   7.643   3.748 -18.849
  393    HA   GLU  49           HA       GLU  49   4.885   2.594 -19.020
  394   1HB   GLU  49          2HB       GLU  49   7.372   1.917 -17.366
  395   2HB   GLU  49          3HB       GLU  49   5.795   1.193 -17.106
  396   1HG   GLU  49          2HG       GLU  49   5.894   0.277 -19.465
  397   2HG   GLU  49          3HG       GLU  49   7.607   0.771 -19.488
  398    H    LEU  50           H        LEU  50   3.582   2.598 -17.150
  399    HA   LEU  50           HA       LEU  50   4.028   4.647 -15.050
  400   1HB   LEU  50          2HB       LEU  50   1.754   4.451 -15.933
  401   2HB   LEU  50          3HB       LEU  50   1.784   2.698 -15.747
  402    HG   LEU  50           HG       LEU  50   1.842   2.946 -13.268
  403   1HD1  LEU  50          1HD1      LEU  50   2.838   5.223 -13.093
  404   2HD1  LEU  50          2HD1      LEU  50   1.361   5.907 -13.807
  405   3HD1  LEU  50          3HD1      LEU  50   1.307   5.097 -12.229
  406   1HD2  LEU  50          1HD2      LEU  50  -0.464   4.379 -14.644
  407   2HD2  LEU  50          2HD2      LEU  50  -0.279   2.617 -14.457
  408   3HD2  LEU  50          3HD2      LEU  50  -0.496   3.637 -13.028
  409    H    LYS  51           H        LYS  51   4.990   4.041 -13.129
  410    HA   LYS  51           HA       LYS  51   5.102   1.129 -12.451
  411   1HB   LYS  51          2HB       LYS  51   7.283   2.401 -13.440
  412   2HB   LYS  51          3HB       LYS  51   7.402   2.943 -11.773
  413   1HG   LYS  51          2HG       LYS  51   8.597   1.031 -11.530
  414   2HG   LYS  51          3HG       LYS  51   7.021   0.284 -11.310
  415   1HD   LYS  51          2HD       LYS  51   8.710   0.376 -13.848
  416   2HD   LYS  51          3HD       LYS  51   8.400  -1.026 -12.826
  417   1HE   LYS  51          2HE       LYS  51   5.961  -0.882 -13.456
  418   2HE   LYS  51          3HE       LYS  51   6.361   0.444 -14.558
  419   1HZ   LYS  51          1HZ       LYS  51   7.845  -1.099 -15.774
  420   2HZ   LYS  51          2HZ       LYS  51   7.399  -2.341 -14.766
  421   3HZ   LYS  51          3HZ       LYS  51   6.372  -1.588 -15.839
  422    H    VAL  52           H        VAL  52   4.777   0.614 -10.356
  423    HA   VAL  52           HA       VAL  52   4.682   2.711  -8.300
  424    HB   VAL  52           HB       VAL  52   2.400   0.718  -8.656
  425   1HG1  VAL  52          1HG1      VAL  52   2.823   1.148  -6.286
  426   2HG1  VAL  52          2HG1      VAL  52   2.948   2.898  -6.582
  427   3HG1  VAL  52          3HG1      VAL  52   1.396   2.072  -6.758
  428   1HG2  VAL  52          1HG2      VAL  52   2.399   3.741  -8.968
  429   2HG2  VAL  52          2HG2      VAL  52   2.170   2.568 -10.283
  430   3HG2  VAL  52          3HG2      VAL  52   0.961   2.706  -9.003
  431    H    ASP  53           H        ASP  53   5.677   2.035  -6.530
  432    HA   ASP  53           HA       ASP  53   6.330  -0.870  -6.198
  433   1HB   ASP  53          2HB       ASP  53   8.239   1.500  -6.176
  434   2HB   ASP  53          3HB       ASP  53   8.655  -0.140  -5.699
  435    H    ILE  54           H        ILE  54   6.184  -1.548  -4.146
  436    HA   ILE  54           HA       ILE  54   5.742   0.473  -1.995
  437    HB   ILE  54           HB       ILE  54   4.150  -2.086  -2.288
  438   1HG1  ILE  54          2HG1      ILE  54   3.228   0.653  -3.244
  439   2HG1  ILE  54          3HG1      ILE  54   3.607  -0.724  -4.278
  440   1HG2  ILE  54          1HG2      ILE  54   4.322  -1.036  -0.030
  441   2HG2  ILE  54          2HG2      ILE  54   3.709   0.479  -0.695
  442   3HG2  ILE  54          3HG2      ILE  54   2.680  -0.966  -0.662
  443   1HD1  ILE  54          1HD1      ILE  54   1.811  -2.059  -3.158
  444   2HD1  ILE  54          2HD1      ILE  54   1.310  -0.592  -2.290
  445   3HD1  ILE  54          3HD1      ILE  54   1.239  -0.644  -4.065
  446    H    SER  55           H        SER  55   6.891   0.155  -0.265
  447    HA   SER  55           HA       SER  55   7.945  -2.562   0.449
  448   1HB   SER  55          2HB       SER  55   9.316   0.153   0.642
  449   2HB   SER  55          3HB       SER  55   9.915  -1.334   1.405
  450    HG   SER  55           HG       SER  55  10.834  -0.877  -0.691
  451    H    ALA  56           H        ALA  56   7.743  -3.088   2.639
  452    HA   ALA  56           HA       ALA  56   6.608  -1.024   4.451
  453   1HB   ALA  56          1HB       ALA  56   4.756  -2.369   3.580
  454   2HB   ALA  56          2HB       ALA  56   5.590  -3.863   4.096
  455   3HB   ALA  56          3HB       ALA  56   5.027  -2.702   5.307
  456    H    GLU  57           H        GLU  57   7.188  -1.138   6.553
  457    HA   GLU  57           HA       GLU  57   8.625  -3.536   7.538
  458   1HB   GLU  57          2HB       GLU  57   9.775  -0.909   7.248
  459   2HB   GLU  57          3HB       GLU  57   9.538  -1.188   8.968
  460   1HG   GLU  57          2HG       GLU  57  10.969  -3.112   7.082
  461   2HG   GLU  57          3HG       GLU  57  11.769  -1.893   8.067
  462    H    LEU  58           H        LEU  58   8.242  -4.059   9.643
  463    HA   LEU  58           HA       LEU  58   5.731  -2.927  10.848
  464   1HB   LEU  58          2HB       LEU  58   5.267  -4.871   9.350
  465   2HB   LEU  58          3HB       LEU  58   6.442  -5.827  10.244
  466    HG   LEU  58           HG       LEU  58   4.926  -5.430  12.321
  467   1HD1  LEU  58          1HD1      LEU  58   3.483  -3.680  11.443
  468   2HD1  LEU  58          2HD1      LEU  58   3.014  -4.704  10.063
  469   3HD1  LEU  58          3HD1      LEU  58   2.504  -5.121  11.704
  470   1HD2  LEU  58          1HD2      LEU  58   3.832  -7.099  10.018
  471   2HD2  LEU  58          2HD2      LEU  58   5.131  -7.601  11.127
  472   3HD2  LEU  58          3HD2      LEU  58   3.498  -7.324  11.748
  473    H    TYR  59           H        TYR  59   6.563  -2.076  12.757
  474    HA   TYR  59           HA       TYR  59   8.813  -3.519  14.020
  475   1HB   TYR  59          2HB       TYR  59   7.643  -0.816  14.716
  476   2HB   TYR  59          3HB       TYR  59   9.152  -1.509  15.282
  477    HD1  TYR  59           HD1      TYR  59  10.753  -2.359  13.166
  478    HD2  TYR  59           HD2      TYR  59   7.815   0.796  13.023
  479    HE1  TYR  59           HE1      TYR  59  11.969  -1.291  11.284
  480    HE2  TYR  59           HE2      TYR  59   9.046   1.877  11.210
  481    HH   TYR  59           HH       TYR  59  10.863   1.853   9.830
  482    H    LEU  60           H        LEU  60   8.176  -5.147  15.222
  483    HA   LEU  60           HA       LEU  60   5.874  -5.049  17.047
  484   1HB   LEU  60          2HB       LEU  60   8.020  -7.096  16.374
  485   2HB   LEU  60          3HB       LEU  60   7.027  -7.294  17.793
  486    HG   LEU  60           HG       LEU  60   6.301  -8.631  15.836
  487   1HD1  LEU  60          1HD1      LEU  60   4.800  -8.129  17.696
  488   2HD1  LEU  60          2HD1      LEU  60   4.302  -6.619  16.925
  489   3HD1  LEU  60          3HD1      LEU  60   3.892  -8.174  16.179
  490   1HD2  LEU  60          1HD2      LEU  60   5.355  -5.995  14.654
  491   2HD2  LEU  60          2HD2      LEU  60   6.671  -7.001  14.011
  492   3HD2  LEU  60          3HD2      LEU  60   5.008  -7.615  14.033
  493    H    ASP  61           H        ASP  61   5.992  -5.147  19.268
  494    HA   ASP  61           HA       ASP  61   8.097  -3.810  20.683
  495   1HB   ASP  61          2HB       ASP  61   5.805  -4.080  21.567
  496   2HB   ASP  61          3HB       ASP  61   6.044  -5.830  21.675
  497    H    GLU  62           H        GLU  62   9.705  -4.649  22.074
  498    HA   GLU  62           HA       GLU  62  11.282  -6.831  20.957
  499   1HB   GLU  62          2HB       GLU  62  11.704  -5.099  23.429
  500   2HB   GLU  62          3HB       GLU  62  12.887  -6.229  22.755
  501   1HG   GLU  62          2HG       GLU  62  12.837  -4.949  20.597
  502   2HG   GLU  62          3HG       GLU  62  11.811  -3.740  21.377
  503    H    LEU  63           H        LEU  63   8.698  -7.527  22.108
  504    HA   LEU  63           HA       LEU  63   9.372  -9.795  23.844
  505   1HB   LEU  63          2HB       LEU  63   8.524  -7.319  24.897
  506   2HB   LEU  63          3HB       LEU  63   7.043  -8.238  24.822
  507    HG   LEU  63           HG       LEU  63   9.639  -9.118  26.189
  508   1HD1  LEU  63          1HD1      LEU  63   8.559  -7.208  27.309
  509   2HD1  LEU  63          2HD1      LEU  63   7.029  -8.106  27.389
  510   3HD1  LEU  63          3HD1      LEU  63   8.451  -8.676  28.298
  511   1HD2  LEU  63          1HD2      LEU  63   6.873 -10.396  26.269
  512   2HD2  LEU  63          2HD2      LEU  63   8.321 -11.087  25.515
  513   3HD2  LEU  63          3HD2      LEU  63   8.265 -10.877  27.271
  514    H    SER  64           H        SER  64   8.057  -8.949  21.049
  515    HA   SER  64           HA       SER  64   6.232 -11.250  21.048
  516   1HB   SER  64          2HB       SER  64   5.250  -8.423  20.501
  517   2HB   SER  64          3HB       SER  64   4.386  -9.877  19.946
  518    HG   SER  64           HG       SER  64   5.235  -9.903  22.594
  519    H    ASP  65           H        ASP  65   5.563 -11.926  18.905
  520    HA   ASP  65           HA       ASP  65   7.380 -11.125  16.708
  521   1HB   ASP  65          2HB       ASP  65   7.249 -13.884  18.005
  522   2HB   ASP  65          3HB       ASP  65   8.040 -13.519  16.474
  523    H    ALA  66           H        ALA  66   5.584 -10.491  15.562
  524    HA   ALA  66           HA       ALA  66   3.324 -12.117  14.867
  525   1HB   ALA  66          1HB       ALA  66   3.451  -9.679  14.481
  526   2HB   ALA  66          2HB       ALA  66   4.747  -9.928  13.283
  527   3HB   ALA  66          3HB       ALA  66   3.110 -10.536  12.973
  528    H    ASP  67           H        ASP  67   2.925 -13.107  12.685
  529    HA   ASP  67           HA       ASP  67   4.923 -15.048  12.283
  530   1HB   ASP  67          2HB       ASP  67   2.396 -14.535  10.662
  531   2HB   ASP  67          3HB       ASP  67   3.290 -16.047  10.744
  532    HA   PRO  68           HA       PRO  68   7.243 -13.400   8.897
  533   1HB   PRO  68          2HB       PRO  68   8.543 -15.604   7.961
  534   2HB   PRO  68          3HB       PRO  68   8.799 -14.952   9.604
  535   1HG   PRO  68          2HG       PRO  68   6.925 -17.203   8.792
  536   2HG   PRO  68          3HG       PRO  68   8.177 -17.220  10.080
  537   1HD   PRO  68          2HD       PRO  68   5.579 -16.685  10.644
  538   2HD   PRO  68          3HD       PRO  68   6.899 -15.807  11.472
  539    H    GLY  69           H        GLY  69   5.039 -12.973   8.039
  540   1HA   GLY  69          2HA       GLY  69   4.981 -13.226   5.211
  541   2HA   GLY  69          3HA       GLY  69   3.829 -14.386   5.891
  542    H    ILE  70           H        ILE  70   3.355 -12.307   8.264
  543    HA   ILE  70           HA       ILE  70   0.989 -11.217   7.238
  544    HB   ILE  70           HB       ILE  70   2.734 -10.757   9.672
  545   1HG1  ILE  70          2HG1      ILE  70  -0.050 -11.923   9.213
  546   2HG1  ILE  70          3HG1      ILE  70   1.428 -12.835   9.457
  547   1HG2  ILE  70          1HG2      ILE  70   1.799  -8.564   9.289
  548   2HG2  ILE  70          2HG2      ILE  70   0.166  -9.248   9.099
  549   3HG2  ILE  70          3HG2      ILE  70   1.020  -9.306  10.666
  550   1HD1  ILE  70          1HD1      ILE  70   1.601 -11.850  11.767
  551   2HD1  ILE  70          2HD1      ILE  70   0.002 -11.109  11.521
  552   3HD1  ILE  70          3HD1      ILE  70   0.172 -12.866  11.498
  553    H    VAL  71           H        VAL  71   4.232  -9.799   7.292
  554    HA   VAL  71           HA       VAL  71   3.511  -7.125   6.441
  555    HB   VAL  71           HB       VAL  71   6.044  -8.717   5.944
  556   1HG1  VAL  71          1HG1      VAL  71   5.962  -6.735   4.516
  557   2HG1  VAL  71          2HG1      VAL  71   5.564  -5.707   5.916
  558   3HG1  VAL  71          3HG1      VAL  71   7.155  -6.486   5.789
  559   1HG2  VAL  71          1HG2      VAL  71   5.373  -6.860   8.242
  560   2HG2  VAL  71          2HG2      VAL  71   5.665  -8.609   8.362
  561   3HG2  VAL  71          3HG2      VAL  71   6.988  -7.526   7.925
  562    H    ASP  72           H        ASP  72   4.953  -9.895   4.663
  563    HA   ASP  72           HA       ASP  72   4.811  -8.967   2.083
  564   1HB   ASP  72          2HB       ASP  72   4.324 -11.859   2.918
  565   2HB   ASP  72          3HB       ASP  72   5.076 -11.275   1.436
  566    H    GLU  73           H        GLU  73   2.273 -10.831   3.827
  567    HA   GLU  73           HA       GLU  73   0.315 -10.826   1.739
  568   1HB   GLU  73          2HB       GLU  73   0.054 -10.863   4.773
  569   2HB   GLU  73          3HB       GLU  73  -1.304 -11.061   3.667
  570   1HG   GLU  73          2HG       GLU  73  -0.339 -13.099   2.732
  571   2HG   GLU  73          3HG       GLU  73   1.049 -12.981   3.817
  572    H    ALA  74           H        ALA  74   1.185  -8.277   4.164
  573    HA   ALA  74           HA       ALA  74  -1.267  -6.772   3.627
  574   1HB   ALA  74          1HB       ALA  74   0.177  -6.635   5.759
  575   2HB   ALA  74          2HB       ALA  74   1.308  -5.650   4.795
  576   3HB   ALA  74          3HB       ALA  74  -0.367  -5.113   5.045
  577    H    VAL  75           H        VAL  75   2.108  -6.599   2.454
  578    HA   VAL  75           HA       VAL  75   1.474  -4.346   0.730
  579    HB   VAL  75           HB       VAL  75   3.848  -6.149   0.213
  580   1HG1  VAL  75          1HG1      VAL  75   3.187  -4.138  -1.249
  581   2HG1  VAL  75          2HG1      VAL  75   3.449  -3.131   0.173
  582   3HG1  VAL  75          3HG1      VAL  75   4.809  -4.034  -0.527
  583   1HG2  VAL  75          1HG2      VAL  75   3.498  -4.136   2.487
  584   2HG2  VAL  75          2HG2      VAL  75   4.141  -5.788   2.562
  585   3HG2  VAL  75          3HG2      VAL  75   5.094  -4.535   1.791
  586    H    ASP  76           H        ASP  76   1.710  -7.893   0.134
  587    HA   ASP  76           HA       ASP  76   0.967  -7.956  -2.584
  588   1HB   ASP  76          2HB       ASP  76   1.862  -9.806  -1.248
  589   2HB   ASP  76          3HB       ASP  76   0.375  -9.843  -0.286
  590    H    ALA  77           H        ALA  77  -1.177  -7.705   0.341
  591    HA   ALA  77           HA       ALA  77  -3.633  -7.692  -1.135
  592   1HB   ALA  77          1HB       ALA  77  -2.944  -6.359   1.520
  593   2HB   ALA  77          2HB       ALA  77  -4.572  -6.659   0.886
  594   3HB   ALA  77          3HB       ALA  77  -3.515  -8.022   1.292
  595    H    ALA  78           H        ALA  78  -1.419  -4.955  -0.223
  596    HA   ALA  78           HA       ALA  78  -3.013  -2.954  -1.525
  597   1HB   ALA  78          1HB       ALA  78  -1.315  -2.402   0.092
  598   2HB   ALA  78          2HB       ALA  78  -0.009  -2.968  -0.977
  599   3HB   ALA  78          3HB       ALA  78  -0.990  -1.567  -1.430
  600    H    TYR  79           H        TYR  79  -0.316  -5.007  -2.806
  601    HA   TYR  79           HA       TYR  79  -0.291  -3.829  -5.402
  602   1HB   TYR  79          2HB       TYR  79   0.448  -6.605  -4.403
  603   2HB   TYR  79          3HB       TYR  79   0.618  -6.140  -6.079
  604    HD1  TYR  79           HD1      TYR  79   2.418  -6.363  -3.046
  605    HD2  TYR  79           HD2      TYR  79   1.882  -3.839  -6.518
  606    HE1  TYR  79           HE1      TYR  79   4.689  -5.399  -2.718
  607    HE2  TYR  79           HE2      TYR  79   4.139  -2.855  -6.154
  608    HH   TYR  79           HH       TYR  79   6.146  -3.626  -3.312
  609    H    ARG  80           H        ARG  80  -2.268  -6.662  -4.226
  610    HA   ARG  80           HA       ARG  80  -3.654  -6.830  -6.789
  611   1HB   ARG  80          2HB       ARG  80  -4.433  -7.914  -4.048
  612   2HB   ARG  80          3HB       ARG  80  -5.368  -8.161  -5.538
  613   1HG   ARG  80          2HG       ARG  80  -3.191  -9.107  -6.573
  614   2HG   ARG  80          3HG       ARG  80  -2.581  -9.154  -4.917
  615   1HD   ARG  80          2HD       ARG  80  -4.888 -10.424  -4.441
  616   2HD   ARG  80          3HD       ARG  80  -4.880 -10.681  -6.189
  617    HE   ARG  80           HE       ARG  80  -3.063 -12.159  -5.963
  618   1HH1  ARG  80          1HH2      ARG  80  -3.524 -10.470  -2.880
  619   2HH1  ARG  80          2HH2      ARG  80  -2.117 -11.306  -2.204
  620   1HH2  ARG  80          1HH1      ARG  80  -1.234 -13.068  -4.858
  621   2HH2  ARG  80          2HH1      ARG  80  -0.955 -12.490  -3.223
  622    H    SER  81           H        SER  81  -4.460  -5.096  -3.738
  623    HA   SER  81           HA       SER  81  -6.988  -4.166  -4.703
  624   1HB   SER  81          2HB       SER  81  -6.295  -4.078  -2.307
  625   2HB   SER  81          3HB       SER  81  -5.158  -2.770  -2.723
  626    HG   SER  81           HG       SER  81  -7.195  -1.856  -3.784
  627    H    LEU  82           H        LEU  82  -3.694  -2.968  -5.329
  628    HA   LEU  82           HA       LEU  82  -4.576  -0.539  -6.629
  629   1HB   LEU  82          2HB       LEU  82  -2.309  -0.932  -5.648
  630   2HB   LEU  82          3HB       LEU  82  -1.995  -2.156  -6.855
  631    HG   LEU  82           HG       LEU  82  -2.101  -0.507  -8.657
  632   1HD1  LEU  82          1HD1      LEU  82  -3.694   1.147  -7.813
  633   2HD1  LEU  82          2HD1      LEU  82  -2.614   1.562  -6.464
  634   3HD1  LEU  82          3HD1      LEU  82  -2.154   1.938  -8.137
  635   1HD2  LEU  82          1HD2      LEU  82  -0.294   0.350  -6.369
  636   2HD2  LEU  82          2HD2      LEU  82   0.026  -0.958  -7.529
  637   3HD2  LEU  82          3HD2      LEU  82  -0.066   0.711  -8.100
  638    H    GLU  83           H        GLU  83  -3.472  -3.783  -7.860
  639    HA   GLU  83           HA       GLU  83  -3.915  -3.094 -10.590
  640   1HB   GLU  83          2HB       GLU  83  -2.574  -5.067  -9.544
  641   2HB   GLU  83          3HB       GLU  83  -4.122  -5.908  -9.460
  642   1HG   GLU  83          2HG       GLU  83  -3.109  -6.617 -11.477
  643   2HG   GLU  83          3HG       GLU  83  -4.341  -5.469 -11.989
  644    H    SER  84           H        SER  84  -6.098  -4.689  -8.208
  645    HA   SER  84           HA       SER  84  -8.318  -4.915 -10.033
  646   1HB   SER  84          2HB       SER  84  -8.116  -6.242  -7.942
  647   2HB   SER  84          3HB       SER  84  -8.346  -4.753  -6.996
  648    HG   SER  84           HG       SER  84 -10.301  -4.582  -8.536
  649    H    PHE  85           H        PHE  85  -7.039  -2.116  -8.369
  650    HA   PHE  85           HA       PHE  85  -9.517  -0.548  -8.712
  651   1HB   PHE  85          2HB       PHE  85  -8.246  -0.006  -6.802
  652   2HB   PHE  85          3HB       PHE  85  -6.730  -0.039  -7.664
  653    HD1  PHE  85           HD1      PHE  85  -6.175   1.759  -9.331
  654    HD2  PHE  85           HD2      PHE  85  -9.419   2.075  -6.534
  655    HE1  PHE  85           HE1      PHE  85  -5.957   4.243  -9.375
  656    HE2  PHE  85           HE2      PHE  85  -9.242   4.557  -6.604
  657    HZ   PHE  85           HZ       PHE  85  -7.491   5.641  -7.998
  658    H    LEU  86           H        LEU  86  -6.253  -0.873 -10.239
  659    HA   LEU  86           HA       LEU  86  -6.851   0.997 -12.354
  660   1HB   LEU  86          2HB       LEU  86  -4.671  -1.004 -11.810
  661   2HB   LEU  86          3HB       LEU  86  -4.845  -0.365 -13.447
  662    HG   LEU  86           HG       LEU  86  -4.899   1.607 -11.147
  663   1HD1  LEU  86          1HD1      LEU  86  -2.947   0.250 -10.624
  664   2HD1  LEU  86          2HD1      LEU  86  -2.310   0.488 -12.263
  665   3HD1  LEU  86          3HD1      LEU  86  -2.490   1.878 -11.153
  666   1HD2  LEU  86          1HD2      LEU  86  -3.677   1.781 -13.926
  667   2HD2  LEU  86          2HD2      LEU  86  -5.312   2.327 -13.508
  668   3HD2  LEU  86          3HD2      LEU  86  -3.906   3.111 -12.765
  669    H    ASP  87           H        ASP  87  -7.531  -2.454 -12.026
  670    HA   ASP  87           HA       ASP  87  -8.400  -3.122 -14.562
  671   1HB   ASP  87          2HB       ASP  87  -8.568  -4.553 -12.570
  672   2HB   ASP  87          3HB       ASP  87  -9.832  -3.515 -11.908
  673    H    GLY  88           H        GLY  88  -9.918  -0.707 -12.352
  674   1HA   GLY  88          2HA       GLY  88 -12.309  -0.332 -13.973
  675   2HA   GLY  88          3HA       GLY  88 -11.728   0.695 -12.654
  676    H    PHE  89           H        PHE  89  -9.130   0.524 -14.606
  677    HA   PHE  89           HA       PHE  89  -9.842   2.828 -16.369
  678   1HB   PHE  89          2HB       PHE  89  -7.413   2.530 -14.575
  679   2HB   PHE  89          3HB       PHE  89  -7.771   3.909 -15.604
  680    HD1  PHE  89           HD1      PHE  89  -7.444   3.307 -12.341
  681    HD2  PHE  89           HD2      PHE  89 -10.605   4.510 -15.021
  682    HE1  PHE  89           HE1      PHE  89  -8.674   4.329 -10.455
  683    HE2  PHE  89           HE2      PHE  89 -11.832   5.503 -13.110
  684    HZ   PHE  89           HZ       PHE  89 -10.859   5.435 -10.829
  685    H    ARG  90           H        ARG  90  -8.583  -0.247 -16.327
  686    HA   ARG  90           HA       ARG  90  -7.021   0.170 -18.845
  687   1HB   ARG  90          2HB       ARG  90  -6.200  -1.410 -16.354
  688   2HB   ARG  90          3HB       ARG  90  -5.473  -1.674 -17.925
  689   1HG   ARG  90          2HG       ARG  90  -5.355   0.940 -16.368
  690   2HG   ARG  90          3HG       ARG  90  -4.076  -0.265 -16.525
  691   1HD   ARG  90          2HD       ARG  90  -4.765   0.250 -19.196
  692   2HD   ARG  90          3HD       ARG  90  -4.965   1.820 -18.434
  693    HE   ARG  90           HE       ARG  90  -2.662   1.942 -18.056
  694   1HH1  ARG  90          1HH2      ARG  90  -3.406  -1.303 -19.182
  695   2HH1  ARG  90          2HH2      ARG  90  -1.741  -1.699 -19.493
  696   1HH2  ARG  90          1HH1      ARG  90  -0.521   1.377 -18.469
  697   2HH2  ARG  90          2HH1      ARG  90  -0.144  -0.202 -19.086
  698    H    GLU  91           H        GLU  91  -8.675  -2.165 -16.748
  699    HA   GLU  91           HA       GLU  91  -9.444  -4.275 -17.094
  700   1HB   GLU  91          2HB       GLU  91 -11.049  -2.723 -18.398
  701   2HB   GLU  91          3HB       GLU  91 -10.329  -3.396 -19.858
  702   1HG   GLU  91          2HG       GLU  91 -11.023  -5.693 -19.057
  703   2HG   GLU  91          3HG       GLU  91 -11.748  -4.945 -17.637
  Start of MODEL   23
    1    H    MET   1           H1       MET   1 -10.554   3.591  -8.675
    2    HA   MET   1           HA       MET   1 -11.287   2.838 -10.801
    3   1HB   MET   1          2HB       MET   1 -13.556   2.372 -11.311
    4   2HB   MET   1          3HB       MET   1 -13.182   1.449  -9.864
    5   1HG   MET   1          2HG       MET   1 -14.751   4.058 -10.013
    6   2HG   MET   1          3HG       MET   1 -15.417   2.449  -9.790
    7   1HE   MET   1          1HE       MET   1 -16.083   5.038  -8.025
    8   2HE   MET   1          2HE       MET   1 -16.861   3.450  -7.825
    9   3HE   MET   1          3HE       MET   1 -16.173   4.287  -6.416
   10    H    SER   2           H        SER   2 -12.216   4.306 -12.419
   11    HA   SER   2           HA       SER   2 -12.520   6.357 -13.330
   12   1HB   SER   2          2HB       SER   2 -14.756   5.737 -12.560
   13   2HB   SER   2          3HB       SER   2 -14.475   6.584 -11.022
   14    HG   SER   2           HG       SER   2 -13.980   8.439 -12.367
   15    H    LEU   3           H        LEU   3 -10.290   6.437 -11.411
   16    HA   LEU   3           HA       LEU   3 -10.158   9.063 -10.223
   17   1HB   LEU   3          2HB       LEU   3  -7.844   8.515  -9.839
   18   2HB   LEU   3          3HB       LEU   3  -8.865   7.143  -9.483
   19    HG   LEU   3           HG       LEU   3  -8.256   6.395 -11.981
   20   1HD1  LEU   3          1HD1      LEU   3  -6.937   8.226 -12.746
   21   2HD1  LEU   3          2HD1      LEU   3  -6.022   8.322 -11.222
   22   3HD1  LEU   3          3HD1      LEU   3  -5.780   6.972 -12.344
   23   1HD2  LEU   3          1HD2      LEU   3  -6.322   5.150 -11.049
   24   2HD2  LEU   3          2HD2      LEU   3  -6.392   6.196  -9.612
   25   3HD2  LEU   3          3HD2      LEU   3  -7.749   5.108 -10.008
   26    H    ARG   4           H        ARG   4  -8.067  10.494 -11.002
   27    HA   ARG   4           HA       ARG   4  -8.901  11.328 -13.749
   28   1HB   ARG   4          2HB       ARG   4  -8.791  12.656 -11.132
   29   2HB   ARG   4          3HB       ARG   4  -7.818  13.538 -12.294
   30   1HG   ARG   4          2HG       ARG   4  -9.703  13.676 -13.851
   31   2HG   ARG   4          3HG       ARG   4 -10.691  12.638 -12.799
   32   1HD   ARG   4          2HD       ARG   4 -10.607  14.304 -11.015
   33   2HD   ARG   4          3HD       ARG   4  -9.570  15.357 -11.998
   34    HE   ARG   4           HE       ARG   4 -11.660  15.071 -13.659
   35   1HH1  ARG   4          1HH2      ARG   4 -11.726  15.831 -10.238
   36   2HH1  ARG   4          2HH2      ARG   4 -13.232  16.700 -10.346
   37   1HH2  ARG   4          1HH1      ARG   4 -13.583  16.208 -13.760
   38   2HH2  ARG   4          2HH1      ARG   4 -14.252  16.914 -12.321
   39    H    LYS   5           H        LYS   5  -7.166  13.176 -14.392
   40    HA   LYS   5           HA       LYS   5  -4.949  11.784 -15.512
   41   1HB   LYS   5          2HB       LYS   5  -5.389  14.763 -14.990
   42   2HB   LYS   5          3HB       LYS   5  -4.054  14.119 -15.937
   43   1HG   LYS   5          2HG       LYS   5  -7.010  13.857 -16.642
   44   2HG   LYS   5          3HG       LYS   5  -5.844  14.971 -17.358
   45   1HD   LYS   5          2HD       LYS   5  -4.487  12.912 -18.088
   46   2HD   LYS   5          3HD       LYS   5  -5.859  11.930 -17.559
   47   1HE   LYS   5          2HE       LYS   5  -6.109  12.217 -19.900
   48   2HE   LYS   5          3HE       LYS   5  -7.342  13.217 -19.122
   49   1HZ   LYS   5          1HZ       LYS   5  -5.885  15.134 -19.466
   50   2HZ   LYS   5          2HZ       LYS   5  -4.751  14.191 -20.187
   51   3HZ   LYS   5          3HZ       LYS   5  -6.214  14.406 -20.905
   52    H    LEU   6           H        LEU   6  -3.042  11.200 -14.728
   53    HA   LEU   6           HA       LEU   6  -2.692  11.365 -11.898
   54   1HB   LEU   6          2HB       LEU   6  -0.892  10.251 -14.089
   55   2HB   LEU   6          3HB       LEU   6  -0.641  10.032 -12.362
   56    HG   LEU   6           HG       LEU   6  -3.002   8.995 -13.985
   57   1HD1  LEU   6          1HD1      LEU   6  -0.888   7.744 -14.243
   58   2HD1  LEU   6          2HD1      LEU   6  -0.786   7.555 -12.475
   59   3HD1  LEU   6          3HD1      LEU   6  -2.115   6.798 -13.379
   60   1HD2  LEU   6          1HD2      LEU   6  -2.494   8.901 -10.981
   61   2HD2  LEU   6          2HD2      LEU   6  -3.926   9.533 -11.837
   62   3HD2  LEU   6          3HD2      LEU   6  -3.603   7.801 -11.824
   63    H    THR   7           H        THR   7  -2.125  13.079 -10.913
   64    HA   THR   7           HA       THR   7   0.248  14.693 -11.615
   65    HB   THR   7           HB       THR   7  -1.834  15.548 -12.785
   66    HG1  THR   7           1HG      THR   7   0.004  17.074 -11.500
   67   1HG2  THR   7          1HG2      THR   7  -3.481  15.068 -10.949
   68   2HG2  THR   7          2HG2      THR   7  -2.759  16.398 -10.013
   69   3HG2  THR   7          3HG2      THR   7  -3.538  16.723 -11.569
   70    H    GLU   8           H        GLU   8   0.215  16.459  -9.828
   71    HA   GLU   8           HA       GLU   8   0.880  15.382  -7.341
   72   1HB   GLU   8          2HB       GLU   8   0.398  18.302  -8.080
   73   2HB   GLU   8          3HB       GLU   8   1.421  17.669  -6.791
   74   1HG   GLU   8          2HG       GLU   8   3.044  18.092  -8.314
   75   2HG   GLU   8          3HG       GLU   8   2.687  16.439  -8.784
   76    H    GLY   9           H        GLY   9  -1.877  14.840  -7.882
   77   1HA   GLY   9          2HA       GLY   9  -3.060  15.493  -5.275
   78   2HA   GLY   9          3HA       GLY   9  -4.029  15.863  -6.730
   79    H    ASP  10           H        ASP  10  -3.975  13.931  -8.441
   80    HA   ASP  10           HA       ASP  10  -5.150  11.626  -7.282
   81   1HB   ASP  10          2HB       ASP  10  -3.945  12.192 -10.008
   82   2HB   ASP  10          3HB       ASP  10  -4.542  10.588  -9.590
   83    H    LEU  11           H        LEU  11  -1.699  12.170  -8.188
   84    HA   LEU  11           HA       LEU  11  -0.880   9.448  -7.672
   85   1HB   LEU  11          2HB       LEU  11   0.626  12.099  -7.670
   86   2HB   LEU  11          3HB       LEU  11   1.413  10.537  -7.518
   87    HG   LEU  11           HG       LEU  11  -0.296  11.322  -9.929
   88   1HD1  LEU  11          1HD1      LEU  11   1.725  12.747  -9.732
   89   2HD1  LEU  11          2HD1      LEU  11   2.736  11.288  -9.632
   90   3HD1  LEU  11          3HD1      LEU  11   1.819  11.646 -11.114
   91   1HD2  LEU  11          1HD2      LEU  11   1.573   9.004  -9.362
   92   2HD2  LEU  11          2HD2      LEU  11  -0.166   8.908  -9.713
   93   3HD2  LEU  11          3HD2      LEU  11   0.980   9.392 -10.976
   94    H    ASP  12           H        ASP  12  -1.147  12.314  -5.563
   95    HA   ASP  12           HA       ASP  12   0.079  11.019  -3.269
   96   1HB   ASP  12          2HB       ASP  12  -0.012  13.513  -3.698
   97   2HB   ASP  12          3HB       ASP  12  -1.735  13.460  -3.311
   98    H    GLU  13           H        GLU  13  -3.320  11.643  -4.334
   99    HA   GLU  13           HA       GLU  13  -4.660  10.346  -2.201
  100   1HB   GLU  13          2HB       GLU  13  -5.295  10.603  -5.159
  101   2HB   GLU  13          3HB       GLU  13  -6.404   9.839  -4.034
  102   1HG   GLU  13          2HG       GLU  13  -5.399  12.649  -3.479
  103   2HG   GLU  13          3HG       GLU  13  -6.681  12.363  -4.651
  104    H    ILE  14           H        ILE  14  -3.343   8.906  -5.250
  105    HA   ILE  14           HA       ILE  14  -4.038   6.196  -4.630
  106    HB   ILE  14           HB       ILE  14  -1.949   7.442  -6.443
  107   1HG1  ILE  14          2HG1      ILE  14  -4.500   5.891  -7.065
  108   2HG1  ILE  14          3HG1      ILE  14  -4.469   7.631  -6.920
  109   1HG2  ILE  14          1HG2      ILE  14  -1.040   5.246  -5.839
  110   2HG2  ILE  14          2HG2      ILE  14  -2.610   4.474  -6.148
  111   3HG2  ILE  14          3HG2      ILE  14  -1.658   5.174  -7.476
  112   1HD1  ILE  14          1HD1      ILE  14  -2.710   7.690  -8.763
  113   2HD1  ILE  14          2HD1      ILE  14  -3.079   5.969  -9.049
  114   3HD1  ILE  14          3HD1      ILE  14  -4.340   7.197  -9.244
  115    H    SER  15           H        SER  15  -0.945   7.995  -4.010
  116    HA   SER  15           HA       SER  15   0.383   5.895  -2.664
  117   1HB   SER  15          2HB       SER  15   1.400   8.052  -3.347
  118   2HB   SER  15          3HB       SER  15   0.491   8.880  -2.065
  119    HG   SER  15           HG       SER  15   2.625   8.293  -1.433
  120    H    SER  16           H        SER  16  -1.881   8.338  -1.343
  121    HA   SER  16           HA       SER  16  -1.890   7.406   1.337
  122   1HB   SER  16          2HB       SER  16  -3.627   8.858   1.709
  123   2HB   SER  16          3HB       SER  16  -2.876   9.588   0.290
  124    HG   SER  16           HG       SER  16  -4.549   8.421  -0.974
  125    H    PHE  17           H        PHE  17  -3.979   6.411  -1.422
  126    HA   PHE  17           HA       PHE  17  -5.669   4.621  -0.004
  127   1HB   PHE  17          2HB       PHE  17  -6.338   5.296  -2.152
  128   2HB   PHE  17          3HB       PHE  17  -4.775   4.979  -2.863
  129    HD1  PHE  17           HD1      PHE  17  -4.527   3.142  -4.264
  130    HD2  PHE  17           HD2      PHE  17  -7.549   3.045  -1.184
  131    HE1  PHE  17           HE1      PHE  17  -5.337   0.963  -5.124
  132    HE2  PHE  17           HE2      PHE  17  -8.341   0.853  -2.041
  133    HZ   PHE  17           HZ       PHE  17  -7.250  -0.179  -4.023
  134    H    LEU  18           H        LEU  18  -2.521   4.027  -1.630
  135    HA   LEU  18           HA       LEU  18  -2.490   1.211  -0.974
  136   1HB   LEU  18          2HB       LEU  18  -0.298   3.173  -1.757
  137   2HB   LEU  18          3HB       LEU  18  -0.058   1.427  -1.634
  138    HG   LEU  18           HG       LEU  18  -2.106   2.721  -3.499
  139   1HD1  LEU  18          1HD1      LEU  18   0.092   3.426  -4.188
  140   2HD1  LEU  18          2HD1      LEU  18   0.721   1.766  -4.067
  141   3HD1  LEU  18          3HD1      LEU  18  -0.485   2.192  -5.303
  142   1HD2  LEU  18          1HD2      LEU  18  -0.987  -0.104  -3.515
  143   2HD2  LEU  18          2HD2      LEU  18  -2.596   0.345  -2.906
  144   3HD2  LEU  18          3HD2      LEU  18  -2.215   0.599  -4.592
  145    H    HIS  19           H        HIS  19  -0.936   4.055   0.636
  146    HA   HIS  19           HA       HIS  19   0.263   2.565   2.734
  147   1HB   HIS  19          2HB       HIS  19   0.697   4.939   2.097
  148   2HB   HIS  19          3HB       HIS  19  -0.849   5.398   2.799
  149    HD1  HIS  19           HD1      HIS  19   1.329   6.928   4.039
  150    HD2  HIS  19           HD2      HIS  19   0.537   2.989   5.262
  151    HE1  HIS  19           HE1      HIS  19   2.346   6.656   6.370
  152    H    ASN  20           H        ASN  20  -3.023   4.115   2.650
  153    HA   ASN  20           HA       ASN  20  -3.820   3.111   5.222
  154   1HB   ASN  20          2HB       ASN  20  -5.393   4.085   2.812
  155   2HB   ASN  20          3HB       ASN  20  -6.171   3.464   4.269
  156   1HD2  ASN  20          2HD2      ASN  20  -4.230   6.126   3.000
  157   2HD2  ASN  20          1HD2      ASN  20  -4.511   7.155   4.424
  158    H    THR  21           H        THR  21  -4.057   1.608   1.945
  159    HA   THR  21           HA       THR  21  -5.624  -0.624   2.744
  160    HB   THR  21           HB       THR  21  -3.465  -0.476   0.596
  161    HG1  THR  21           1HG      THR  21  -5.087   0.988   0.208
  162   1HG2  THR  21          1HG2      THR  21  -3.978  -2.830   1.002
  163   2HG2  THR  21          2HG2      THR  21  -5.725  -2.479   1.000
  164   3HG2  THR  21          3HG2      THR  21  -4.774  -2.301  -0.487
  165    H    ILE  22           H        ILE  22  -2.033  -0.248   2.794
  166    HA   ILE  22           HA       ILE  22  -1.545  -2.854   3.954
  167    HB   ILE  22           HB       ILE  22   0.110  -0.302   4.002
  168   1HG1  ILE  22          2HG1      ILE  22   0.127  -2.762   2.210
  169   2HG1  ILE  22          3HG1      ILE  22  -0.303  -1.117   1.750
  170   1HG2  ILE  22          1HG2      ILE  22   0.786  -1.933   5.815
  171   2HG2  ILE  22          2HG2      ILE  22   1.083  -3.146   4.547
  172   3HG2  ILE  22          3HG2      ILE  22   2.037  -1.670   4.621
  173   1HD1  ILE  22          1HD1      ILE  22   2.083  -0.443   2.350
  174   2HD1  ILE  22          2HD1      ILE  22   2.431  -2.187   2.422
  175   3HD1  ILE  22          3HD1      ILE  22   1.825  -1.491   0.906
  176    H    SER  23           H        SER  23  -1.967   0.410   5.441
  177    HA   SER  23           HA       SER  23  -1.592  -0.355   8.141
  178   1HB   SER  23          2HB       SER  23  -1.705   1.965   7.398
  179   2HB   SER  23          3HB       SER  23  -3.416   1.779   6.965
  180    HG   SER  23           HG       SER  23  -3.963   1.785   9.025
  181    H    ASP  24           H        ASP  24  -4.741  -0.187   6.336
  182    HA   ASP  24           HA       ASP  24  -6.300  -1.419   8.356
  183   1HB   ASP  24          2HB       ASP  24  -6.613  -1.050   5.380
  184   2HB   ASP  24          3HB       ASP  24  -7.746  -2.050   6.262
  185    H    PHE  25           H        PHE  25  -4.387  -3.051   5.728
  186    HA   PHE  25           HA       PHE  25  -5.404  -5.653   6.391
  187   1HB   PHE  25          2HB       PHE  25  -4.077  -4.992   4.336
  188   2HB   PHE  25          3HB       PHE  25  -2.631  -4.984   5.329
  189    HD1  PHE  25           HD1      PHE  25  -1.934  -7.207   6.496
  190    HD2  PHE  25           HD2      PHE  25  -4.929  -6.989   3.398
  191    HE1  PHE  25           HE1      PHE  25  -1.716  -9.642   6.113
  192    HE2  PHE  25           HE2      PHE  25  -4.727  -9.435   3.041
  193    HZ   PHE  25           HZ       PHE  25  -3.143 -10.770   4.408
  194    H    ILE  26           H        ILE  26  -2.506  -3.848   7.639
  195    HA   ILE  26           HA       ILE  26  -1.615  -5.876   9.415
  196    HB   ILE  26           HB       ILE  26  -1.295  -2.857   9.261
  197   1HG1  ILE  26          2HG1      ILE  26   0.701  -5.123   8.765
  198   2HG1  ILE  26          3HG1      ILE  26  -0.273  -4.401   7.493
  199   1HG2  ILE  26          1HG2      ILE  26  -1.049  -3.463  11.614
  200   2HG2  ILE  26          2HG2      ILE  26   0.086  -4.764  11.180
  201   3HG2  ILE  26          3HG2      ILE  26   0.513  -3.052  10.929
  202   1HD1  ILE  26          1HD1      ILE  26   0.718  -2.151   8.070
  203   2HD1  ILE  26          2HD1      ILE  26   1.856  -3.000   9.134
  204   3HD1  ILE  26          3HD1      ILE  26   1.845  -3.352   7.395
  205    H    LEU  27           H        LEU  27  -3.713  -2.984  10.070
  206    HA   LEU  27           HA       LEU  27  -4.229  -3.686  12.780
  207   1HB   LEU  27          2HB       LEU  27  -5.439  -1.821  10.746
  208   2HB   LEU  27          3HB       LEU  27  -6.415  -2.200  12.137
  209    HG   LEU  27           HG       LEU  27  -5.149  -0.114  12.385
  210   1HD1  LEU  27          1HD1      LEU  27  -5.917  -1.414  14.351
  211   2HD1  LEU  27          2HD1      LEU  27  -4.336  -2.219  14.428
  212   3HD1  LEU  27          3HD1      LEU  27  -4.460  -0.464  14.678
  213   1HD2  LEU  27          1HD2      LEU  27  -2.644  -1.834  12.589
  214   2HD2  LEU  27          2HD2      LEU  27  -3.032  -0.717  11.261
  215   3HD2  LEU  27          3HD2      LEU  27  -2.768  -0.088  12.888
  216    H    LYS  28           H        LYS  28  -5.689  -5.038   9.894
  217    HA   LYS  28           HA       LYS  28  -7.742  -6.423  11.552
  218   1HB   LYS  28          2HB       LYS  28  -7.292  -6.202   8.554
  219   2HB   LYS  28          3HB       LYS  28  -8.473  -7.304   9.271
  220   1HG   LYS  28          2HG       LYS  28  -9.646  -5.491  10.371
  221   2HG   LYS  28          3HG       LYS  28  -8.462  -4.310   9.825
  222   1HD   LYS  28          2HD       LYS  28  -9.637  -5.860   7.590
  223   2HD   LYS  28          3HD       LYS  28 -10.863  -5.024   8.537
  224   1HE   LYS  28          2HE       LYS  28  -8.381  -3.712   7.364
  225   2HE   LYS  28          3HE       LYS  28  -9.970  -3.696   6.593
  226   1HZ   LYS  28          1HZ       LYS  28 -10.831  -2.463   8.477
  227   2HZ   LYS  28          2HZ       LYS  28  -9.373  -2.542   9.250
  228   3HZ   LYS  28          3HZ       LYS  28  -9.522  -1.658   7.888
  229    H    ARG  29           H        ARG  29  -4.528  -7.010  10.825
  230    HA   ARG  29           HA       ARG  29  -4.945  -9.965  11.132
  231   1HB   ARG  29          2HB       ARG  29  -4.183  -9.136   8.905
  232   2HB   ARG  29          3HB       ARG  29  -2.752  -8.459   9.677
  233   1HG   ARG  29          2HG       ARG  29  -2.155 -10.482   8.610
  234   2HG   ARG  29          3HG       ARG  29  -2.080 -10.762  10.349
  235   1HD   ARG  29          2HD       ARG  29  -4.116 -12.048  10.324
  236   2HD   ARG  29          3HD       ARG  29  -4.363 -11.694   8.607
  237    HE   ARG  29           HE       ARG  29  -2.192 -13.432   9.783
  238   1HH1  ARG  29          1HH2      ARG  29  -3.601 -12.120   6.820
  239   2HH1  ARG  29          2HH2      ARG  29  -2.521 -13.074   5.806
  240   1HH2  ARG  29          1HH1      ARG  29  -0.908 -14.476   8.575
  241   2HH2  ARG  29          2HH1      ARG  29  -0.881 -14.272   6.771
  242    H    VAL  30           H        VAL  30  -3.010  -7.230  12.407
  243    HA   VAL  30           HA       VAL  30  -2.523  -8.892  14.814
  244    HB   VAL  30           HB       VAL  30  -0.484  -9.153  13.586
  245   1HG1  VAL  30          1HG1      VAL  30  -0.523  -7.220  12.071
  246   2HG1  VAL  30          2HG1      VAL  30  -0.316  -6.113  13.441
  247   3HG1  VAL  30          3HG1      VAL  30   0.990  -7.231  12.983
  248   1HG2  VAL  30          1HG2      VAL  30   0.131  -7.142  15.764
  249   2HG2  VAL  30          2HG2      VAL  30  -0.292  -8.852  16.040
  250   3HG2  VAL  30          3HG2      VAL  30   1.161  -8.431  15.131
  251    H    SER  31           H        SER  31  -2.114  -7.585  16.779
  252    HA   SER  31           HA       SER  31  -3.680  -5.105  16.689
  253   1HB   SER  31          2HB       SER  31  -3.952  -6.609  18.574
  254   2HB   SER  31          3HB       SER  31  -2.229  -6.486  18.963
  255    HG   SER  31           HG       SER  31  -3.556  -5.081  20.195
  256    H    ALA  32           H        ALA  32  -2.805  -3.209  16.145
  257    HA   ALA  32           HA       ALA  32  -0.199  -2.360  16.074
  258   1HB   ALA  32          1HB       ALA  32  -2.056  -1.125  15.120
  259   2HB   ALA  32          2HB       ALA  32  -2.698  -0.764  16.744
  260   3HB   ALA  32          3HB       ALA  32  -1.140  -0.085  16.220
  261    H    LYS  33           H        LYS  33  -2.064  -2.968  19.003
  262    HA   LYS  33           HA       LYS  33  -0.334  -1.341  20.718
  263   1HB   LYS  33          2HB       LYS  33  -2.773  -2.002  21.142
  264   2HB   LYS  33          3HB       LYS  33  -2.189  -3.607  21.560
  265   1HG   LYS  33          2HG       LYS  33  -1.218  -2.922  23.527
  266   2HG   LYS  33          3HG       LYS  33  -0.830  -1.304  22.950
  267   1HD   LYS  33          2HD       LYS  33  -3.742  -2.031  23.346
  268   2HD   LYS  33          3HD       LYS  33  -2.729  -1.720  24.752
  269   1HE   LYS  33          2HE       LYS  33  -3.871   0.328  24.103
  270   2HE   LYS  33          3HE       LYS  33  -2.119   0.490  23.962
  271   1HZ   LYS  33          1HZ       LYS  33  -2.337   0.155  21.579
  272   2HZ   LYS  33          2HZ       LYS  33  -3.971   0.017  21.703
  273   3HZ   LYS  33          3HZ       LYS  33  -3.233   1.445  22.057
  274    H    GLU  34           H        GLU  34   0.113  -4.367  19.166
  275    HA   GLU  34           HA       GLU  34   2.322  -5.174  21.001
  276   1HB   GLU  34          2HB       GLU  34   1.359  -6.416  18.391
  277   2HB   GLU  34          3HB       GLU  34   2.483  -7.115  19.549
  278   1HG   GLU  34          2HG       GLU  34   0.696  -7.316  21.225
  279   2HG   GLU  34          3HG       GLU  34  -0.455  -6.535  20.138
  280    H    ILE  35           H        ILE  35   1.786  -3.125  18.338
  281    HA   ILE  35           HA       ILE  35   4.431  -3.548  17.062
  282    HB   ILE  35           HB       ILE  35   1.869  -2.132  16.327
  283   1HG1  ILE  35          2HG1      ILE  35   3.508  -4.314  14.969
  284   2HG1  ILE  35          3HG1      ILE  35   2.070  -4.597  15.948
  285   1HG2  ILE  35          1HG2      ILE  35   2.770  -1.276  14.318
  286   2HG2  ILE  35          2HG2      ILE  35   3.697  -0.621  15.644
  287   3HG2  ILE  35          3HG2      ILE  35   4.385  -1.954  14.670
  288   1HD1  ILE  35          1HD1      ILE  35   0.687  -3.374  14.293
  289   2HD1  ILE  35          2HD1      ILE  35   2.129  -3.131  13.278
  290   3HD1  ILE  35          3HD1      ILE  35   1.543  -4.760  13.593
  291    H    VAL  36           H        VAL  36   6.073  -2.292  17.484
  292    HA   VAL  36           HA       VAL  36   5.977   0.002  19.322
  293    HB   VAL  36           HB       VAL  36   8.153  -1.339  17.661
  294   1HG1  VAL  36          1HG1      VAL  36   8.742   0.999  17.641
  295   2HG1  VAL  36          2HG1      VAL  36   8.420   1.148  19.387
  296   3HG1  VAL  36          3HG1      VAL  36   9.780   0.160  18.797
  297   1HG2  VAL  36          1HG2      VAL  36   7.812  -1.013  20.674
  298   2HG2  VAL  36          2HG2      VAL  36   7.395  -2.468  19.753
  299   3HG2  VAL  36          3HG2      VAL  36   9.080  -1.939  19.835
  300    H    ASP  37           H        ASP  37   6.640  -0.561  15.816
  301    HA   ASP  37           HA       ASP  37   4.999   1.672  15.135
  302   1HB   ASP  37          2HB       ASP  37   7.493   2.587  15.801
  303   2HB   ASP  37          3HB       ASP  37   7.759   2.239  14.103
  304    H    ILE  38           H        ILE  38   5.266   2.259  12.727
  305    HA   ILE  38           HA       ILE  38   6.171   0.008  11.029
  306    HB   ILE  38           HB       ILE  38   4.219   0.346   9.499
  307   1HG1  ILE  38          2HG1      ILE  38   2.891   1.702  11.888
  308   2HG1  ILE  38          3HG1      ILE  38   3.329   2.474  10.362
  309   1HG2  ILE  38          1HG2      ILE  38   4.542  -1.581  11.037
  310   2HG2  ILE  38          2HG2      ILE  38   3.425  -0.810  12.177
  311   3HG2  ILE  38          3HG2      ILE  38   2.871  -1.293  10.548
  312   1HD1  ILE  38          1HD1      ILE  38   1.759   0.917   9.166
  313   2HD1  ILE  38          2HD1      ILE  38   1.212   0.327  10.755
  314   3HD1  ILE  38          3HD1      ILE  38   0.977   2.024  10.312
  315    H    ASP  39           H        ASP  39   7.013   0.571   9.110
  316    HA   ASP  39           HA       ASP  39   6.922   3.457   8.301
  317   1HB   ASP  39          2HB       ASP  39   9.313   1.592   8.352
  318   2HB   ASP  39          3HB       ASP  39   9.202   2.931   7.210
  319    H    ILE  40           H        ILE  40   6.047   3.709   6.336
  320    HA   ILE  40           HA       ILE  40   6.016   1.412   4.437
  321    HB   ILE  40           HB       ILE  40   3.639   3.038   5.385
  322   1HG1  ILE  40          2HG1      ILE  40   3.914   0.045   4.961
  323   2HG1  ILE  40          3HG1      ILE  40   4.400   0.787   6.489
  324   1HG2  ILE  40          1HG2      ILE  40   2.355   1.873   3.540
  325   2HG2  ILE  40          2HG2      ILE  40   3.513   3.048   2.933
  326   3HG2  ILE  40          3HG2      ILE  40   3.900   1.308   2.874
  327   1HD1  ILE  40          1HD1      ILE  40   2.084   1.617   6.799
  328   2HD1  ILE  40          2HD1      ILE  40   1.620   0.712   5.325
  329   3HD1  ILE  40          3HD1      ILE  40   2.249  -0.151   6.749
  330    H    THR  41           H        THR  41   6.726   1.916   2.555
  331    HA   THR  41           HA       THR  41   6.912   4.790   1.709
  332    HB   THR  41           HB       THR  41   8.871   2.498   1.278
  333    HG1  THR  41           1HG      THR  41   8.940   3.571   3.286
  334   1HG2  THR  41          1HG2      THR  41   8.864   3.853  -0.744
  335   2HG2  THR  41          2HG2      THR  41   8.894   5.359   0.210
  336   3HG2  THR  41          3HG2      THR  41  10.295   4.265   0.209
  337    H    VAL  42           H        VAL  42   5.586   5.151   0.094
  338    HA   VAL  42           HA       VAL  42   5.164   3.094  -2.035
  339    HB   VAL  42           HB       VAL  42   3.292   5.323  -1.146
  340   1HG1  VAL  42          1HG1      VAL  42   1.743   4.247  -2.833
  341   2HG1  VAL  42          2HG1      VAL  42   3.128   5.064  -3.558
  342   3HG1  VAL  42          3HG1      VAL  42   3.113   3.290  -3.419
  343   1HG2  VAL  42          1HG2      VAL  42   2.726   2.343  -1.095
  344   2HG2  VAL  42          2HG2      VAL  42   3.254   3.260   0.338
  345   3HG2  VAL  42          3HG2      VAL  42   1.730   3.661  -0.458
  346    H    LEU  43           H        LEU  43   6.190   3.637  -3.835
  347    HA   LEU  43           HA       LEU  43   6.685   6.514  -4.489
  348   1HB   LEU  43          2HB       LEU  43   8.391   4.090  -5.162
  349   2HB   LEU  43          3HB       LEU  43   8.688   5.733  -5.724
  350    HG   LEU  43           HG       LEU  43   8.715   4.852  -2.810
  351   1HD1  LEU  43          1HD1      LEU  43  10.578   3.896  -4.108
  352   2HD1  LEU  43          2HD1      LEU  43  11.021   5.521  -4.680
  353   3HD1  LEU  43          3HD1      LEU  43  11.151   5.111  -2.953
  354   1HD2  LEU  43          1HD2      LEU  43   9.499   7.508  -4.080
  355   2HD2  LEU  43          2HD2      LEU  43   8.143   7.223  -2.961
  356   3HD2  LEU  43          3HD2      LEU  43   9.801   7.048  -2.389
  357    H    VAL  44           H        VAL  44   6.168   7.173  -6.508
  358    HA   VAL  44           HA       VAL  44   5.087   5.217  -8.446
  359    HB   VAL  44           HB       VAL  44   3.126   5.944  -7.208
  360   1HG1  VAL  44          1HG1      VAL  44   3.886   8.117  -6.327
  361   2HG1  VAL  44          2HG1      VAL  44   3.794   8.815  -7.959
  362   3HG1  VAL  44          3HG1      VAL  44   2.326   8.228  -7.142
  363   1HG2  VAL  44          1HG2      VAL  44   3.152   7.366  -9.902
  364   2HG2  VAL  44          2HG2      VAL  44   3.034   5.615  -9.722
  365   3HG2  VAL  44          3HG2      VAL  44   1.765   6.647  -9.050
  366    H    GLU  45           H        GLU  45   5.511   5.681 -10.529
  367    HA   GLU  45           HA       GLU  45   6.530   8.350 -11.281
  368   1HB   GLU  45          2HB       GLU  45   8.545   7.541 -12.258
  369   2HB   GLU  45          3HB       GLU  45   8.533   7.043 -10.569
  370   1HG   GLU  45          2HG       GLU  45   7.844   4.749 -11.244
  371   2HG   GLU  45          3HG       GLU  45   7.840   5.250 -12.941
  372    H    TYR  46           H        TYR  46   6.676   8.626 -13.641
  373    HA   TYR  46           HA       TYR  46   5.300   6.557 -15.246
  374   1HB   TYR  46          2HB       TYR  46   3.684   8.384 -14.411
  375   2HB   TYR  46          3HB       TYR  46   4.510   9.473 -15.508
  376    HD1  TYR  46           HD1      TYR  46   1.589   7.982 -15.220
  377    HD2  TYR  46           HD2      TYR  46   4.890   7.829 -17.998
  378    HE1  TYR  46           HE1      TYR  46   0.084   7.058 -16.973
  379    HE2  TYR  46           HE2      TYR  46   3.392   6.899 -19.723
  380    HH   TYR  46           HH       TYR  46   1.316   6.058 -20.168
  381    H    THR  47           H        THR  47   6.902   5.996 -16.525
  382    HA   THR  47           HA       THR  47   8.577   8.061 -17.881
  383    HB   THR  47           HB       THR  47   9.862   7.408 -15.997
  384    HG1  THR  47           1HG      THR  47  11.631   6.526 -17.180
  385   1HG2  THR  47          1HG2      THR  47   8.959   5.121 -15.524
  386   2HG2  THR  47          2HG2      THR  47   9.882   4.510 -16.916
  387   3HG2  THR  47          3HG2      THR  47  10.719   5.230 -15.528
  388    H    ASP  48           H        ASP  48   7.325   7.831 -19.628
  389    HA   ASP  48           HA       ASP  48   6.403   7.089 -21.521
  390   1HB   ASP  48          2HB       ASP  48   8.755   6.184 -21.913
  391   2HB   ASP  48          3HB       ASP  48   8.116   4.597 -21.469
  392    H    GLU  49           H        GLU  49   6.582   4.688 -18.959
  393    HA   GLU  49           HA       GLU  49   3.670   4.343 -19.133
  394   1HB   GLU  49          2HB       GLU  49   5.494   2.248 -19.820
  395   2HB   GLU  49          3HB       GLU  49   4.839   1.836 -18.243
  396   1HG   GLU  49          2HG       GLU  49   3.181   2.539 -20.706
  397   2HG   GLU  49          3HG       GLU  49   3.548   0.907 -20.163
  398    H    LEU  50           H        LEU  50   2.735   3.534 -17.168
  399    HA   LEU  50           HA       LEU  50   3.695   5.031 -14.855
  400   1HB   LEU  50          2HB       LEU  50   1.349   5.044 -15.593
  401   2HB   LEU  50          3HB       LEU  50   1.279   3.292 -15.517
  402    HG   LEU  50           HG       LEU  50   1.502   3.380 -13.032
  403   1HD1  LEU  50          1HD1      LEU  50   2.651   5.525 -12.724
  404   2HD1  LEU  50          2HD1      LEU  50   1.275   6.394 -13.430
  405   3HD1  LEU  50          3HD1      LEU  50   1.105   5.541 -11.879
  406   1HD2  LEU  50          1HD2      LEU  50  -0.761   5.001 -14.253
  407   2HD2  LEU  50          2HD2      LEU  50  -0.673   3.233 -14.119
  408   3HD2  LEU  50          3HD2      LEU  50  -0.784   4.221 -12.651
  409    H    LYS  51           H        LYS  51   4.745   4.229 -13.135
  410    HA   LYS  51           HA       LYS  51   4.604   1.319 -12.467
  411   1HB   LYS  51          2HB       LYS  51   6.639   1.491 -13.643
  412   2HB   LYS  51          3HB       LYS  51   7.049   3.042 -12.924
  413   1HG   LYS  51          2HG       LYS  51   7.550   2.034 -10.787
  414   2HG   LYS  51          3HG       LYS  51   6.960   0.448 -11.328
  415   1HD   LYS  51          2HD       LYS  51   8.738   0.221 -12.922
  416   2HD   LYS  51          3HD       LYS  51   9.246   1.902 -12.729
  417   1HE   LYS  51          2HE       LYS  51   9.402  -0.193 -10.508
  418   2HE   LYS  51          3HE       LYS  51  10.730   0.221 -11.610
  419   1HZ   LYS  51          1HZ       LYS  51  11.034   1.528  -9.703
  420   2HZ   LYS  51          2HZ       LYS  51  10.322   2.618 -10.764
  421   3HZ   LYS  51          3HZ       LYS  51   9.481   1.897  -9.534
  422    H    VAL  52           H        VAL  52   4.816   0.818 -10.325
  423    HA   VAL  52           HA       VAL  52   4.945   2.958  -8.304
  424    HB   VAL  52           HB       VAL  52   2.750   0.849  -8.464
  425   1HG1  VAL  52          1HG1      VAL  52   3.426   1.052  -6.115
  426   2HG1  VAL  52          2HG1      VAL  52   3.360   2.826  -6.217
  427   3HG1  VAL  52          3HG1      VAL  52   1.881   1.860  -6.348
  428   1HG2  VAL  52          1HG2      VAL  52   2.578   3.882  -8.380
  429   2HG2  VAL  52          2HG2      VAL  52   2.267   2.881  -9.818
  430   3HG2  VAL  52          3HG2      VAL  52   1.198   2.781  -8.413
  431    H    ASP  53           H        ASP  53   5.984   2.321  -6.492
  432    HA   ASP  53           HA       ASP  53   6.797  -0.541  -6.174
  433   1HB   ASP  53          2HB       ASP  53   8.565   1.849  -5.533
  434   2HB   ASP  53          3HB       ASP  53   8.997   0.145  -5.505
  435    H    ILE  54           H        ILE  54   6.453  -1.292  -4.116
  436    HA   ILE  54           HA       ILE  54   5.911   0.692  -1.967
  437    HB   ILE  54           HB       ILE  54   4.355  -1.883  -2.234
  438   1HG1  ILE  54          2HG1      ILE  54   3.314   0.832  -3.130
  439   2HG1  ILE  54          3HG1      ILE  54   3.762  -0.493  -4.212
  440   1HG2  ILE  54          1HG2      ILE  54   4.481  -0.924   0.016
  441   2HG2  ILE  54          2HG2      ILE  54   4.072   0.678  -0.592
  442   3HG2  ILE  54          3HG2      ILE  54   2.868  -0.619  -0.621
  443   1HD1  ILE  54          1HD1      ILE  54   2.066  -1.966  -3.089
  444   2HD1  ILE  54          2HD1      ILE  54   1.480  -0.549  -2.195
  445   3HD1  ILE  54          3HD1      ILE  54   1.391  -0.581  -3.968
  446    H    SER  55           H        SER  55   6.945   0.326  -0.129
  447    HA   SER  55           HA       SER  55   7.766  -2.442   0.606
  448   1HB   SER  55          2HB       SER  55   9.559   0.009   0.776
  449   2HB   SER  55          3HB       SER  55   9.891  -1.555   1.560
  450    HG   SER  55           HG       SER  55   9.166  -1.763  -1.077
  451    H    ALA  56           H        ALA  56   7.425  -2.925   2.744
  452    HA   ALA  56           HA       ALA  56   6.607  -0.758   4.564
  453   1HB   ALA  56          1HB       ALA  56   4.518  -1.686   3.630
  454   2HB   ALA  56          2HB       ALA  56   5.023  -3.313   4.126
  455   3HB   ALA  56          3HB       ALA  56   4.684  -2.078   5.357
  456    H    GLU  57           H        GLU  57   7.218  -1.018   6.596
  457    HA   GLU  57           HA       GLU  57   8.737  -3.458   7.417
  458   1HB   GLU  57          2HB       GLU  57   9.381  -0.509   7.472
  459   2HB   GLU  57          3HB       GLU  57   9.873  -1.484   8.845
  460   1HG   GLU  57          2HG       GLU  57  11.704  -1.342   7.340
  461   2HG   GLU  57          3HG       GLU  57  11.132  -2.998   7.439
  462    H    LEU  58           H        LEU  58   8.432  -4.183   9.431
  463    HA   LEU  58           HA       LEU  58   6.266  -3.010  11.126
  464   1HB   LEU  58          2HB       LEU  58   6.779  -5.781  10.029
  465   2HB   LEU  58          3HB       LEU  58   6.203  -5.682  11.671
  466    HG   LEU  58           HG       LEU  58   4.475  -6.095   9.929
  467   1HD1  LEU  58          1HD1      LEU  58   2.791  -4.592  10.961
  468   2HD1  LEU  58          2HD1      LEU  58   3.827  -5.403  12.145
  469   3HD1  LEU  58          3HD1      LEU  58   4.101  -3.698  11.763
  470   1HD2  LEU  58          1HD2      LEU  58   4.590  -3.130   9.303
  471   2HD2  LEU  58          2HD2      LEU  58   5.396  -4.349   8.311
  472   3HD2  LEU  58          3HD2      LEU  58   3.643  -4.418   8.519
  473    H    TYR  59           H        TYR  59   7.088  -2.366  13.047
  474    HA   TYR  59           HA       TYR  59   9.318  -3.994  14.215
  475   1HB   TYR  59          2HB       TYR  59   8.593  -1.098  14.742
  476   2HB   TYR  59          3HB       TYR  59   9.943  -1.995  15.427
  477    HD1  TYR  59           HD1      TYR  59  11.644  -3.054  13.708
  478    HD2  TYR  59           HD2      TYR  59   8.873   0.091  12.682
  479    HE1  TYR  59           HE1      TYR  59  13.034  -2.472  11.742
  480    HE2  TYR  59           HE2      TYR  59  10.279   0.685  10.725
  481    HH   TYR  59           HH       TYR  59  13.259  -1.109   9.906
  482    H    LEU  60           H        LEU  60   8.353  -5.500  15.368
  483    HA   LEU  60           HA       LEU  60   6.001  -5.013  17.068
  484   1HB   LEU  60          2HB       LEU  60   7.684  -7.441  16.364
  485   2HB   LEU  60          3HB       LEU  60   6.593  -7.480  17.725
  486    HG   LEU  60           HG       LEU  60   5.650  -8.525  15.731
  487   1HD1  LEU  60          1HD1      LEU  60   4.198  -7.569  17.485
  488   2HD1  LEU  60          2HD1      LEU  60   4.117  -6.043  16.596
  489   3HD1  LEU  60          3HD1      LEU  60   3.432  -7.517  15.887
  490   1HD2  LEU  60          1HD2      LEU  60   5.475  -5.758  14.481
  491   2HD2  LEU  60          2HD2      LEU  60   6.595  -7.043  13.972
  492   3HD2  LEU  60          3HD2      LEU  60   4.843  -7.280  13.825
  493    H    ASP  61           H        ASP  61   5.965  -5.315  19.303
  494    HA   ASP  61           HA       ASP  61   8.288  -4.430  20.793
  495   1HB   ASP  61          2HB       ASP  61   5.940  -4.071  21.546
  496   2HB   ASP  61          3HB       ASP  61   5.765  -5.818  21.778
  497    H    GLU  62           H        GLU  62   9.487  -5.618  22.267
  498    HA   GLU  62           HA       GLU  62  10.642  -8.103  21.284
  499   1HB   GLU  62          2HB       GLU  62  11.107  -6.383  23.754
  500   2HB   GLU  62          3HB       GLU  62  12.116  -7.765  23.338
  501   1HG   GLU  62          2HG       GLU  62  11.782  -5.447  21.399
  502   2HG   GLU  62          3HG       GLU  62  12.934  -5.411  22.724
  503    H    LEU  63           H        LEU  63   7.906  -8.359  22.047
  504    HA   LEU  63           HA       LEU  63   7.887 -10.468  24.122
  505   1HB   LEU  63          2HB       LEU  63   7.630  -8.233  25.169
  506   2HB   LEU  63          3HB       LEU  63   6.233  -7.896  24.174
  507    HG   LEU  63           HG       LEU  63   6.057 -10.404  25.811
  508   1HD1  LEU  63          1HD1      LEU  63   7.240  -8.951  27.390
  509   2HD1  LEU  63          2HD1      LEU  63   6.055  -7.654  27.116
  510   3HD1  LEU  63          3HD1      LEU  63   5.556  -9.179  27.892
  511   1HD2  LEU  63          1HD2      LEU  63   4.191  -7.998  25.499
  512   2HD2  LEU  63          2HD2      LEU  63   4.111  -9.466  24.513
  513   3HD2  LEU  63          3HD2      LEU  63   3.785  -9.561  26.249
  514    H    SER  64           H        SER  64   6.801  -9.386  21.037
  515    HA   SER  64           HA       SER  64   4.584 -11.390  21.043
  516   1HB   SER  64          2HB       SER  64   4.491  -8.492  20.277
  517   2HB   SER  64          3HB       SER  64   3.692  -9.636  19.190
  518    HG   SER  64           HG       SER  64   2.069  -9.551  20.514
  519    H    ASP  65           H        ASP  65   4.064 -12.301  19.017
  520    HA   ASP  65           HA       ASP  65   6.194 -12.320  16.950
  521   1HB   ASP  65          2HB       ASP  65   5.099 -14.697  18.506
  522   2HB   ASP  65          3HB       ASP  65   5.916 -14.839  16.950
  523    H    ALA  66           H        ALA  66   4.875 -11.242  15.631
  524    HA   ALA  66           HA       ALA  66   2.238 -12.009  14.747
  525   1HB   ALA  66          1HB       ALA  66   3.237  -9.736  14.543
  526   2HB   ALA  66          2HB       ALA  66   4.437 -10.374  13.396
  527   3HB   ALA  66          3HB       ALA  66   2.718 -10.362  12.974
  528    H    ASP  67           H        ASP  67   2.026 -12.423  12.181
  529    HA   ASP  67           HA       ASP  67   2.909 -15.067  11.857
  530   1HB   ASP  67          2HB       ASP  67   1.730 -13.314   9.653
  531   2HB   ASP  67          3HB       ASP  67   1.657 -15.057   9.783
  532    HA   PRO  68           HA       PRO  68   6.669 -14.415   9.488
  533   1HB   PRO  68          2HB       PRO  68   7.147 -16.905   8.478
  534   2HB   PRO  68          3HB       PRO  68   7.150 -16.551  10.226
  535   1HG   PRO  68          2HG       PRO  68   4.838 -17.634   8.577
  536   2HG   PRO  68          3HG       PRO  68   5.535 -18.323  10.082
  537   1HD   PRO  68          2HD       PRO  68   3.356 -16.703  10.140
  538   2HD   PRO  68          3HD       PRO  68   4.615 -16.599  11.408
  539    H    GLY  69           H        GLY  69   4.520 -13.351   8.259
  540   1HA   GLY  69          2HA       GLY  69   5.399 -12.771   5.659
  541   2HA   GLY  69          3HA       GLY  69   4.076 -13.927   5.484
  542    H    ILE  70           H        ILE  70   3.791 -11.796   8.287
  543    HA   ILE  70           HA       ILE  70   1.216 -11.098   7.496
  544    HB   ILE  70           HB       ILE  70   2.455 -11.191   9.820
  545   1HG1  ILE  70          2HG1      ILE  70   0.215  -9.203   9.340
  546   2HG1  ILE  70          3HG1      ILE  70   0.049 -10.972   9.372
  547   1HG2  ILE  70          1HG2      ILE  70   3.967  -9.213   9.392
  548   2HG2  ILE  70          2HG2      ILE  70   2.511  -8.173   9.480
  549   3HG2  ILE  70          3HG2      ILE  70   3.029  -9.118  10.875
  550   1HD1  ILE  70          1HD1      ILE  70   0.912 -11.038  11.676
  551   2HD1  ILE  70          2HD1      ILE  70   1.016  -9.264  11.692
  552   3HD1  ILE  70          3HD1      ILE  70  -0.547 -10.048  11.561
  553    H    VAL  71           H        VAL  71   4.185  -9.290   7.084
  554    HA   VAL  71           HA       VAL  71   2.799  -6.901   6.094
  555    HB   VAL  71           HB       VAL  71   4.662  -6.610   7.524
  556   1HG1  VAL  71          1HG1      VAL  71   6.076  -8.593   7.003
  557   2HG1  VAL  71          2HG1      VAL  71   6.486  -7.873   5.433
  558   3HG1  VAL  71          3HG1      VAL  71   6.987  -7.081   6.932
  559   1HG2  VAL  71          1HG2      VAL  71   5.369  -5.704   4.709
  560   2HG2  VAL  71          2HG2      VAL  71   4.198  -4.917   5.796
  561   3HG2  VAL  71          3HG2      VAL  71   5.921  -4.974   6.215
  562    H    ASP  72           H        ASP  72   4.880  -9.548   4.784
  563    HA   ASP  72           HA       ASP  72   4.991  -8.763   2.120
  564   1HB   ASP  72          2HB       ASP  72   4.532 -11.611   3.111
  565   2HB   ASP  72          3HB       ASP  72   5.409 -11.095   1.675
  566    H    GLU  73           H        GLU  73   2.397 -10.667   3.762
  567    HA   GLU  73           HA       GLU  73   0.567 -10.659   1.546
  568   1HB   GLU  73          2HB       GLU  73   0.109 -10.838   4.549
  569   2HB   GLU  73          3HB       GLU  73  -1.161 -10.973   3.326
  570   1HG   GLU  73          2HG       GLU  73  -0.104 -12.944   2.346
  571   2HG   GLU  73          3HG       GLU  73   1.189 -12.870   3.536
  572    H    ALA  74           H        ALA  74   1.139  -8.157   4.139
  573    HA   ALA  74           HA       ALA  74  -1.204  -6.640   3.437
  574   1HB   ALA  74          1HB       ALA  74   0.162  -6.427   5.584
  575   2HB   ALA  74          2HB       ALA  74   1.373  -5.534   4.633
  576   3HB   ALA  74          3HB       ALA  74  -0.271  -4.905   4.790
  577    H    VAL  75           H        VAL  75   2.222  -6.451   2.325
  578    HA   VAL  75           HA       VAL  75   1.643  -4.229   0.558
  579    HB   VAL  75           HB       VAL  75   4.037  -6.023   0.105
  580   1HG1  VAL  75          1HG1      VAL  75   3.390  -4.036  -1.385
  581   2HG1  VAL  75          2HG1      VAL  75   3.611  -3.010   0.025
  582   3HG1  VAL  75          3HG1      VAL  75   4.997  -3.905  -0.639
  583   1HG2  VAL  75          1HG2      VAL  75   3.596  -4.142   2.441
  584   2HG2  VAL  75          2HG2      VAL  75   4.493  -5.677   2.359
  585   3HG2  VAL  75          3HG2      VAL  75   5.202  -4.237   1.678
  586    H    ASP  76           H        ASP  76   1.956  -7.794  -0.044
  587    HA   ASP  76           HA       ASP  76   1.275  -7.796  -2.784
  588   1HB   ASP  76          2HB       ASP  76   2.112  -9.695  -1.428
  589   2HB   ASP  76          3HB       ASP  76   0.552  -9.782  -0.602
  590    H    ALA  77           H        ALA  77  -0.937  -7.699   0.092
  591    HA   ALA  77           HA       ALA  77  -3.346  -7.597  -1.448
  592   1HB   ALA  77          1HB       ALA  77  -3.325  -8.093   0.952
  593   2HB   ALA  77          2HB       ALA  77  -2.766  -6.448   1.311
  594   3HB   ALA  77          3HB       ALA  77  -4.371  -6.701   0.602
  595    H    ALA  78           H        ALA  78  -1.121  -4.928  -0.421
  596    HA   ALA  78           HA       ALA  78  -2.702  -2.842  -1.610
  597   1HB   ALA  78          1HB       ALA  78  -0.886  -2.471   0.029
  598   2HB   ALA  78          2HB       ALA  78   0.329  -2.864  -1.202
  599   3HB   ALA  78          3HB       ALA  78  -0.726  -1.464  -1.412
  600    H    TYR  79           H        TYR  79  -0.045  -4.872  -3.008
  601    HA   TYR  79           HA       TYR  79  -0.111  -3.664  -5.602
  602   1HB   TYR  79          2HB       TYR  79   0.720  -6.435  -4.653
  603   2HB   TYR  79          3HB       TYR  79   0.906  -5.894  -6.307
  604    HD1  TYR  79           HD1      TYR  79   2.660  -6.206  -3.247
  605    HD2  TYR  79           HD2      TYR  79   2.112  -3.539  -6.613
  606    HE1  TYR  79           HE1      TYR  79   4.915  -5.234  -2.870
  607    HE2  TYR  79           HE2      TYR  79   4.348  -2.533  -6.180
  608    HH   TYR  79           HH       TYR  79   6.375  -3.464  -3.399
  609    H    ARG  80           H        ARG  80  -1.892  -6.569  -4.389
  610    HA   ARG  80           HA       ARG  80  -3.320  -7.008  -6.854
  611   1HB   ARG  80          2HB       ARG  80  -3.929  -7.867  -4.008
  612   2HB   ARG  80          3HB       ARG  80  -4.832  -8.404  -5.437
  613   1HG   ARG  80          2HG       ARG  80  -2.753  -9.357  -6.418
  614   2HG   ARG  80          3HG       ARG  80  -1.848  -8.837  -4.995
  615   1HD   ARG  80          2HD       ARG  80  -3.623 -10.205  -3.647
  616   2HD   ARG  80          3HD       ARG  80  -3.999 -10.952  -5.210
  617    HE   ARG  80           HE       ARG  80  -1.184 -10.841  -4.154
  618   1HH1  ARG  80          1HH2      ARG  80  -3.724 -12.904  -5.416
  619   2HH1  ARG  80          2HH2      ARG  80  -2.838 -14.370  -5.062
  620   1HH2  ARG  80          1HH1      ARG  80  -0.272 -12.673  -3.448
  621   2HH2  ARG  80          2HH1      ARG  80  -0.819 -14.239  -4.039
  622    H    SER  81           H        SER  81  -4.040  -5.005  -4.010
  623    HA   SER  81           HA       SER  81  -6.657  -4.150  -4.894
  624   1HB   SER  81          2HB       SER  81  -4.641  -2.616  -3.201
  625   2HB   SER  81          3HB       SER  81  -6.367  -2.258  -3.387
  626    HG   SER  81           HG       SER  81  -5.126  -4.513  -2.191
  627    H    LEU  82           H        LEU  82  -3.328  -2.822  -5.447
  628    HA   LEU  82           HA       LEU  82  -4.139  -0.606  -6.967
  629   1HB   LEU  82          2HB       LEU  82  -1.858  -1.014  -6.002
  630   2HB   LEU  82          3HB       LEU  82  -1.574  -2.234  -7.224
  631    HG   LEU  82           HG       LEU  82  -1.744  -0.548  -9.014
  632   1HD1  LEU  82          1HD1      LEU  82  -3.267   1.111  -8.048
  633   2HD1  LEU  82          2HD1      LEU  82  -2.119   1.468  -6.749
  634   3HD1  LEU  82          3HD1      LEU  82  -1.728   1.881  -8.432
  635   1HD2  LEU  82          1HD2      LEU  82   0.165   0.241  -6.779
  636   2HD2  LEU  82          2HD2      LEU  82   0.420  -1.069  -7.951
  637   3HD2  LEU  82          3HD2      LEU  82   0.343   0.601  -8.517
  638    H    GLU  83           H        GLU  83  -3.194  -3.914  -8.222
  639    HA   GLU  83           HA       GLU  83  -3.747  -3.141 -10.939
  640   1HB   GLU  83          2HB       GLU  83  -3.557  -5.396 -11.561
  641   2HB   GLU  83          3HB       GLU  83  -2.352  -5.075 -10.310
  642   1HG   GLU  83          2HG       GLU  83  -3.962  -6.087  -8.650
  643   2HG   GLU  83          3HG       GLU  83  -4.972  -6.600 -10.003
  644    H    SER  84           H        SER  84  -5.860  -4.653  -8.476
  645    HA   SER  84           HA       SER  84  -8.204  -4.891 -10.085
  646   1HB   SER  84          2HB       SER  84  -8.090  -4.284  -7.100
  647   2HB   SER  84          3HB       SER  84  -9.423  -5.029  -7.999
  648    HG   SER  84           HG       SER  84  -6.872  -6.090  -7.331
  649    H    PHE  85           H        PHE  85  -6.866  -2.106  -8.361
  650    HA   PHE  85           HA       PHE  85  -9.136  -0.362  -8.846
  651   1HB   PHE  85          2HB       PHE  85  -7.736  -0.223  -6.880
  652   2HB   PHE  85          3HB       PHE  85  -6.294  -0.002  -7.851
  653    HD1  PHE  85           HD1      PHE  85  -5.685   2.099  -8.758
  654    HD2  PHE  85           HD2      PHE  85  -9.363   1.617  -6.587
  655    HE1  PHE  85           HE1      PHE  85  -5.702   4.522  -8.263
  656    HE2  PHE  85           HE2      PHE  85  -9.431   4.080  -6.146
  657    HZ   PHE  85           HZ       PHE  85  -7.583   5.528  -6.968
  658    H    LEU  86           H        LEU  86  -5.924  -0.833 -10.415
  659    HA   LEU  86           HA       LEU  86  -6.249   1.170 -12.472
  660   1HB   LEU  86          2HB       LEU  86  -4.508  -1.212 -11.918
  661   2HB   LEU  86          3HB       LEU  86  -4.666  -0.792 -13.595
  662    HG   LEU  86           HG       LEU  86  -2.676   0.149 -12.310
  663   1HD1  LEU  86          1HD1      LEU  86  -3.155   0.873 -14.525
  664   2HD1  LEU  86          2HD1      LEU  86  -4.484   1.907 -13.985
  665   3HD1  LEU  86          3HD1      LEU  86  -2.805   2.324 -13.571
  666   1HD2  LEU  86          1HD2      LEU  86  -4.657   2.257 -11.351
  667   2HD2  LEU  86          2HD2      LEU  86  -3.907   1.015 -10.329
  668   3HD2  LEU  86          3HD2      LEU  86  -2.900   2.233 -11.122
  669    H    ASP  87           H        ASP  87  -7.235  -2.277 -12.299
  670    HA   ASP  87           HA       ASP  87  -8.468  -2.487 -14.836
  671   1HB   ASP  87          2HB       ASP  87  -8.048  -4.338 -13.274
  672   2HB   ASP  87          3HB       ASP  87  -9.232  -3.688 -12.148
  673    H    GLY  88           H        GLY  88  -9.372  -0.395 -12.168
  674   1HA   GLY  88          2HA       GLY  88 -12.145  -0.057 -13.232
  675   2HA   GLY  88          3HA       GLY  88 -11.520   0.528 -11.686
  676    H    PHE  89           H        PHE  89  -9.332   1.009 -14.311
  677    HA   PHE  89           HA       PHE  89 -10.249   3.789 -14.839
  678   1HB   PHE  89          2HB       PHE  89  -9.162   4.316 -12.913
  679   2HB   PHE  89          3HB       PHE  89  -8.089   2.938 -12.982
  680    HD1  PHE  89           HD1      PHE  89  -5.892   3.380 -13.140
  681    HD2  PHE  89           HD2      PHE  89  -8.644   6.098 -15.012
  682    HE1  PHE  89           HE1      PHE  89  -3.971   4.776 -13.925
  683    HE2  PHE  89           HE2      PHE  89  -6.746   7.496 -15.792
  684    HZ   PHE  89           HZ       PHE  89  -4.406   6.830 -15.265
  685    H    ARG  90           H        ARG  90  -7.791   1.255 -15.650
  686    HA   ARG  90           HA       ARG  90  -7.643   2.564 -18.359
  687   1HB   ARG  90          2HB       ARG  90  -5.491   0.860 -17.052
  688   2HB   ARG  90          3HB       ARG  90  -5.438   1.615 -18.647
  689   1HG   ARG  90          2HG       ARG  90  -5.817   3.860 -17.295
  690   2HG   ARG  90          3HG       ARG  90  -5.219   2.902 -15.939
  691   1HD   ARG  90          2HD       ARG  90  -3.800   3.546 -18.549
  692   2HD   ARG  90          3HD       ARG  90  -3.381   4.126 -16.928
  693    HE   ARG  90           HE       ARG  90  -3.279   1.246 -17.061
  694   1HH1  ARG  90          1HH2      ARG  90  -1.382   4.052 -18.086
  695   2HH1  ARG  90          2HH2      ARG  90   0.105   3.114 -18.188
  696   1HH2  ARG  90          1HH1      ARG  90  -1.322   0.112 -17.306
  697   2HH2  ARG  90          2HH1      ARG  90   0.094   0.959 -17.899
  698    H    GLU  91           H        GLU  91  -8.531  -0.333 -16.737
  699    HA   GLU  91           HA       GLU  91  -9.005  -2.452 -17.371
  700   1HB   GLU  91          2HB       GLU  91 -10.701  -1.010 -18.675
  701   2HB   GLU  91          3HB       GLU  91  -9.763  -1.407 -20.112
  702   1HG   GLU  91          2HG       GLU  91 -10.170  -3.847 -19.640
  703   2HG   GLU  91          3HG       GLU  91 -11.091  -3.394 -18.208
  Start of MODEL   24
    1    H    MET   1           H1       MET   1 -13.750   2.831 -16.039
    2    HA   MET   1           HA       MET   1 -11.850   4.305 -16.285
    3   1HB   MET   1          2HB       MET   1 -11.826   6.070 -17.879
    4   2HB   MET   1          3HB       MET   1 -11.812   4.514 -18.696
    5   1HG   MET   1          2HG       MET   1 -14.123   4.735 -19.350
    6   2HG   MET   1          3HG       MET   1 -14.334   6.191 -18.374
    7   1HE   MET   1          1HE       MET   1 -13.732   8.557 -19.011
    8   2HE   MET   1          2HE       MET   1 -12.006   8.138 -18.872
    9   3HE   MET   1          3HE       MET   1 -12.597   9.000 -20.305
   10    H    SER   2           H        SER   2 -11.885   5.916 -14.789
   11    HA   SER   2           HA       SER   2 -14.176   7.647 -14.389
   12   1HB   SER   2          2HB       SER   2 -15.149   5.582 -13.488
   13   2HB   SER   2          3HB       SER   2 -13.744   5.349 -12.434
   14    HG   SER   2           HG       SER   2 -14.249   7.441 -11.572
   15    H    LEU   3           H        LEU   3 -11.384   8.248 -14.749
   16    HA   LEU   3           HA       LEU   3 -10.493   9.087 -12.054
   17   1HB   LEU   3          2HB       LEU   3  -8.292   8.413 -12.568
   18   2HB   LEU   3          3HB       LEU   3  -9.341   7.054 -12.873
   19    HG   LEU   3           HG       LEU   3  -8.455   8.871 -15.143
   20   1HD1  LEU   3          1HD1      LEU   3  -6.433   8.093 -13.962
   21   2HD1  LEU   3          2HD1      LEU   3  -7.016   6.412 -14.048
   22   3HD1  LEU   3          3HD1      LEU   3  -6.583   7.298 -15.532
   23   1HD2  LEU   3          1HD2      LEU   3  -9.500   6.036 -15.024
   24   2HD2  LEU   3          2HD2      LEU   3 -10.173   7.429 -15.908
   25   3HD2  LEU   3          3HD2      LEU   3  -8.670   6.697 -16.445
   26    H    ARG   4           H        ARG   4  -8.248  10.415 -12.635
   27    HA   ARG   4           HA       ARG   4  -9.043  12.778 -14.285
   28   1HB   ARG   4          2HB       ARG   4  -7.739  12.593 -11.531
   29   2HB   ARG   4          3HB       ARG   4  -7.732  14.073 -12.489
   30   1HG   ARG   4          2HG       ARG   4 -10.195  14.116 -12.509
   31   2HG   ARG   4          3HG       ARG   4 -10.240  12.651 -11.501
   32   1HD   ARG   4          2HD       ARG   4  -9.091  13.777  -9.685
   33   2HD   ARG   4          3HD       ARG   4  -8.769  15.191 -10.702
   34    HE   ARG   4           HE       ARG   4 -11.602  14.641 -10.507
   35   1HH1  ARG   4          1HH2      ARG   4  -8.980  16.047  -8.677
   36   2HH1  ARG   4          2HH2      ARG   4  -9.997  17.212  -7.868
   37   1HH2  ARG   4          1HH1      ARG   4 -12.904  16.144  -9.447
   38   2HH2  ARG   4          2HH1      ARG   4 -12.202  17.243  -8.299
   39    H    LYS   5           H        LYS   5  -6.926  14.219 -14.440
   40    HA   LYS   5           HA       LYS   5  -4.853  12.765 -15.901
   41   1HB   LYS   5          2HB       LYS   5  -5.043  15.638 -14.864
   42   2HB   LYS   5          3HB       LYS   5  -3.590  14.974 -15.583
   43   1HG   LYS   5          2HG       LYS   5  -4.586  16.101 -17.348
   44   2HG   LYS   5          3HG       LYS   5  -4.890  14.398 -17.659
   45   1HD   LYS   5          2HD       LYS   5  -6.845  15.672 -18.220
   46   2HD   LYS   5          3HD       LYS   5  -7.228  14.694 -16.799
   47   1HE   LYS   5          2HE       LYS   5  -6.894  16.661 -15.332
   48   2HE   LYS   5          3HE       LYS   5  -6.338  17.619 -16.709
   49   1HZ   LYS   5          1HZ       LYS   5  -8.532  17.411 -17.683
   50   2HZ   LYS   5          2HZ       LYS   5  -9.067  16.506 -16.420
   51   3HZ   LYS   5          3HZ       LYS   5  -8.647  18.080 -16.187
   52    H    LEU   6           H        LEU   6  -3.244  11.661 -14.996
   53    HA   LEU   6           HA       LEU   6  -2.865  11.587 -12.150
   54   1HB   LEU   6          2HB       LEU   6  -1.136  10.424 -14.390
   55   2HB   LEU   6          3HB       LEU   6  -1.041  10.053 -12.677
   56    HG   LEU   6           HG       LEU   6  -3.643   9.452 -13.018
   57   1HD1  LEU   6          1HD1      LEU   6  -3.843   9.934 -15.402
   58   2HD1  LEU   6          2HD1      LEU   6  -2.424   8.917 -15.762
   59   3HD1  LEU   6          3HD1      LEU   6  -3.932   8.199 -15.163
   60   1HD2  LEU   6          1HD2      LEU   6  -1.332   7.621 -13.810
   61   2HD2  LEU   6          2HD2      LEU   6  -1.913   7.918 -12.155
   62   3HD2  LEU   6          3HD2      LEU   6  -2.956   7.089 -13.314
   63    H    THR   7           H        THR   7  -1.890  13.160 -11.026
   64    HA   THR   7           HA       THR   7   0.697  14.294 -11.859
   65    HB   THR   7           HB       THR   7  -0.963  15.859 -12.760
   66    HG1  THR   7           1HG      THR   7  -0.115  17.635 -11.788
   67   1HG2  THR   7          1HG2      THR   7  -2.896  15.498 -11.287
   68   2HG2  THR   7          2HG2      THR   7  -1.995  16.144  -9.902
   69   3HG2  THR   7          3HG2      THR   7  -2.413  17.197 -11.269
   70    H    GLU   8           H        GLU   8   1.506  15.650  -9.825
   71    HA   GLU   8           HA       GLU   8   1.987  13.773  -7.853
   72   1HB   GLU   8          2HB       GLU   8   2.124  16.806  -7.743
   73   2HB   GLU   8          3HB       GLU   8   2.642  15.787  -6.407
   74   1HG   GLU   8          2HG       GLU   8   4.566  16.395  -7.736
   75   2HG   GLU   8          3HG       GLU   8   4.293  14.654  -7.777
   76    H    GLY   9           H        GLY   9  -0.735  16.048  -7.810
   77   1HA   GLY   9          2HA       GLY   9  -1.686  15.590  -5.148
   78   2HA   GLY   9          3HA       GLY   9  -2.649  16.068  -6.570
   79    H    ASP  10           H        ASP  10  -3.048  14.227  -8.188
   80    HA   ASP  10           HA       ASP  10  -4.599  12.232  -6.935
   81   1HB   ASP  10          2HB       ASP  10  -3.532  12.303  -9.789
   82   2HB   ASP  10          3HB       ASP  10  -4.962  11.444  -9.218
   83    H    LEU  11           H        LEU  11  -1.241  12.118  -8.119
   84    HA   LEU  11           HA       LEU  11  -0.900   9.253  -7.725
   85   1HB   LEU  11          2HB       LEU  11   1.062  11.565  -7.982
   86   2HB   LEU  11          3HB       LEU  11   1.547   9.882  -7.872
   87    HG   LEU  11           HG       LEU  11  -0.190  11.027 -10.109
   88   1HD1  LEU  11          1HD1      LEU  11   2.145  11.853 -10.165
   89   2HD1  LEU  11          2HD1      LEU  11   2.736  10.178 -10.111
   90   3HD1  LEU  11          3HD1      LEU  11   1.803  10.754 -11.510
   91   1HD2  LEU  11          1HD2      LEU  11   1.026   8.270  -9.710
   92   2HD2  LEU  11          2HD2      LEU  11  -0.698   8.671  -9.859
   93   3HD2  LEU  11          3HD2      LEU  11   0.380   8.848 -11.251
   94    H    ASP  12           H        ASP  12  -0.230  12.126  -5.575
   95    HA   ASP  12           HA       ASP  12   0.699  10.514  -3.390
   96   1HB   ASP  12          2HB       ASP  12   1.071  12.937  -3.517
   97   2HB   ASP  12          3HB       ASP  12  -0.675  13.220  -3.351
   98    H    GLU  13           H        GLU  13  -2.618  11.588  -4.352
   99    HA   GLU  13           HA       GLU  13  -3.993  10.410  -2.159
  100   1HB   GLU  13          2HB       GLU  13  -5.007  11.911  -3.795
  101   2HB   GLU  13          3HB       GLU  13  -4.899  10.716  -5.065
  102   1HG   GLU  13          2HG       GLU  13  -6.328   9.776  -2.616
  103   2HG   GLU  13          3HG       GLU  13  -7.064  11.172  -3.384
  104    H    ILE  14           H        ILE  14  -3.044   8.826  -5.276
  105    HA   ILE  14           HA       ILE  14  -3.954   6.228  -4.519
  106    HB   ILE  14           HB       ILE  14  -1.837   7.172  -6.463
  107   1HG1  ILE  14          2HG1      ILE  14  -4.603   5.935  -6.841
  108   2HG1  ILE  14          3HG1      ILE  14  -4.270   7.656  -6.902
  109   1HG2  ILE  14          1HG2      ILE  14  -1.119   4.912  -5.802
  110   2HG2  ILE  14          2HG2      ILE  14  -2.770   4.295  -6.035
  111   3HG2  ILE  14          3HG2      ILE  14  -1.785   4.855  -7.412
  112   1HD1  ILE  14          1HD1      ILE  14  -2.719   7.248  -8.857
  113   2HD1  ILE  14          2HD1      ILE  14  -3.314   5.566  -8.896
  114   3HD1  ILE  14          3HD1      ILE  14  -4.434   6.907  -9.157
  115    H    SER  15           H        SER  15  -0.634   7.676  -4.155
  116    HA   SER  15           HA       SER  15   0.532   5.430  -2.852
  117   1HB   SER  15          2HB       SER  15   1.102   8.408  -2.744
  118   2HB   SER  15          3HB       SER  15   2.109   7.214  -1.909
  119    HG   SER  15           HG       SER  15   2.485   7.892  -4.278
  120    H    SER  16           H        SER  16  -1.288   8.165  -1.412
  121    HA   SER  16           HA       SER  16  -1.114   7.301   1.316
  122   1HB   SER  16          2HB       SER  16  -1.732   9.578   0.587
  123   2HB   SER  16          3HB       SER  16  -3.248   8.952  -0.090
  124    HG   SER  16           HG       SER  16  -3.411   9.803   2.066
  125    H    PHE  17           H        PHE  17  -3.629   6.643  -1.239
  126    HA   PHE  17           HA       PHE  17  -5.325   5.022   0.372
  127   1HB   PHE  17          2HB       PHE  17  -6.163   5.728  -1.700
  128   2HB   PHE  17          3HB       PHE  17  -4.734   5.239  -2.577
  129    HD1  PHE  17           HD1      PHE  17  -4.742   3.271  -3.828
  130    HD2  PHE  17           HD2      PHE  17  -7.532   3.709  -0.570
  131    HE1  PHE  17           HE1      PHE  17  -5.809   1.115  -4.452
  132    HE2  PHE  17           HE2      PHE  17  -8.585   1.546  -1.186
  133    HZ   PHE  17           HZ       PHE  17  -7.731   0.252  -3.130
  134    H    LEU  18           H        LEU  18  -2.411   4.096  -1.518
  135    HA   LEU  18           HA       LEU  18  -2.544   1.302  -0.831
  136   1HB   LEU  18          2HB       LEU  18  -0.202   3.075  -1.645
  137   2HB   LEU  18          3HB       LEU  18  -0.133   1.315  -1.566
  138    HG   LEU  18           HG       LEU  18  -2.105   2.818  -3.344
  139   1HD1  LEU  18          1HD1      LEU  18   0.187   3.370  -4.012
  140   2HD1  LEU  18          2HD1      LEU  18   0.596   1.648  -4.089
  141   3HD1  LEU  18          3HD1      LEU  18  -0.602   2.337  -5.207
  142   1HD2  LEU  18          1HD2      LEU  18  -1.220  -0.071  -3.488
  143   2HD2  LEU  18          2HD2      LEU  18  -2.760   0.492  -2.801
  144   3HD2  LEU  18          3HD2      LEU  18  -2.414   0.784  -4.491
  145    H    HIS  19           H        HIS  19  -0.705   4.003   0.721
  146    HA   HIS  19           HA       HIS  19   0.441   2.473   2.811
  147   1HB   HIS  19          2HB       HIS  19   1.006   4.807   2.200
  148   2HB   HIS  19          3HB       HIS  19  -0.537   5.356   2.844
  149    HD1  HIS  19           HD1      HIS  19   1.515   6.846   4.237
  150    HD2  HIS  19           HD2      HIS  19   0.803   2.844   5.265
  151    HE1  HIS  19           HE1      HIS  19   2.529   6.491   6.560
  152    H    ASN  20           H        ASN  20  -2.732   4.196   2.796
  153    HA   ASN  20           HA       ASN  20  -3.583   3.283   5.378
  154   1HB   ASN  20          2HB       ASN  20  -5.068   4.289   2.927
  155   2HB   ASN  20          3HB       ASN  20  -5.910   3.760   4.389
  156   1HD2  ASN  20          2HD2      ASN  20  -3.701   6.262   3.104
  157   2HD2  ASN  20          1HD2      ASN  20  -3.971   7.334   4.476
  158    H    THR  21           H        THR  21  -4.002   1.785   2.139
  159    HA   THR  21           HA       THR  21  -5.687  -0.356   2.945
  160    HB   THR  21           HB       THR  21  -3.580  -0.315   0.739
  161    HG1  THR  21           1HG      THR  21  -5.087   1.294   0.437
  162   1HG2  THR  21          1HG2      THR  21  -4.272  -2.630   1.089
  163   2HG2  THR  21          2HG2      THR  21  -5.980  -2.140   1.154
  164   3HG2  THR  21          3HG2      THR  21  -5.062  -1.997  -0.362
  165    H    ILE  22           H        ILE  22  -2.073  -0.228   2.859
  166    HA   ILE  22           HA       ILE  22  -1.806  -2.909   3.932
  167    HB   ILE  22           HB       ILE  22   0.173  -0.611   3.773
  168   1HG1  ILE  22          2HG1      ILE  22  -0.387  -3.042   2.023
  169   2HG1  ILE  22          3HG1      ILE  22  -0.615  -1.343   1.605
  170   1HG2  ILE  22          1HG2      ILE  22   0.871  -2.213   5.523
  171   2HG2  ILE  22          2HG2      ILE  22   0.629  -3.568   4.405
  172   3HG2  ILE  22          3HG2      ILE  22   1.914  -2.407   4.123
  173   1HD1  ILE  22          1HD1      ILE  22   1.850  -1.017   1.833
  174   2HD1  ILE  22          2HD1      ILE  22   2.011  -2.787   1.951
  175   3HD1  ILE  22          3HD1      ILE  22   1.312  -2.072   0.487
  176    H    SER  23           H        SER  23  -1.781   0.361   5.459
  177    HA   SER  23           HA       SER  23  -1.285  -0.457   8.126
  178   1HB   SER  23          2HB       SER  23  -1.331   1.868   7.498
  179   2HB   SER  23          3HB       SER  23  -3.040   1.771   7.018
  180    HG   SER  23           HG       SER  23  -3.648   1.769   9.054
  181    H    ASP  24           H        ASP  24  -4.529  -0.130   6.491
  182    HA   ASP  24           HA       ASP  24  -5.999  -1.396   8.579
  183   1HB   ASP  24          2HB       ASP  24  -6.451  -1.049   5.604
  184   2HB   ASP  24          3HB       ASP  24  -7.539  -2.037   6.540
  185    H    PHE  25           H        PHE  25  -4.298  -3.035   5.819
  186    HA   PHE  25           HA       PHE  25  -5.367  -5.608   6.473
  187   1HB   PHE  25          2HB       PHE  25  -4.222  -4.899   4.337
  188   2HB   PHE  25          3HB       PHE  25  -2.697  -4.992   5.204
  189    HD1  PHE  25           HD1      PHE  25  -5.192  -6.816   3.369
  190    HD2  PHE  25           HD2      PHE  25  -1.970  -7.285   6.190
  191    HE1  PHE  25           HE1      PHE  25  -4.973  -9.202   2.731
  192    HE2  PHE  25           HE2      PHE  25  -1.661  -9.628   5.448
  193    HZ   PHE  25           HZ       PHE  25  -3.177 -10.595   3.724
  194    H    ILE  26           H        ILE  26  -2.309  -3.979   7.561
  195    HA   ILE  26           HA       ILE  26  -1.418  -6.129   9.202
  196    HB   ILE  26           HB       ILE  26  -0.883  -3.131   9.121
  197   1HG1  ILE  26          2HG1      ILE  26   0.861  -5.529   8.343
  198   2HG1  ILE  26          3HG1      ILE  26  -0.122  -4.628   7.202
  199   1HG2  ILE  26          1HG2      ILE  26  -0.510  -3.822  11.400
  200   2HG2  ILE  26          2HG2      ILE  26   0.392  -5.265  10.875
  201   3HG2  ILE  26          3HG2      ILE  26   1.062  -3.643  10.627
  202   1HD1  ILE  26          1HD1      ILE  26   1.146  -2.535   7.831
  203   2HD1  ILE  26          2HD1      ILE  26   2.274  -3.570   8.734
  204   3HD1  ILE  26          3HD1      ILE  26   2.081  -3.792   6.993
  205    H    LEU  27           H        LEU  27  -3.331  -3.151  10.031
  206    HA   LEU  27           HA       LEU  27  -3.746  -3.852  12.765
  207   1HB   LEU  27          2HB       LEU  27  -5.036  -1.980  10.776
  208   2HB   LEU  27          3HB       LEU  27  -5.918  -2.344  12.240
  209    HG   LEU  27           HG       LEU  27  -4.222  -1.508  13.667
  210   1HD1  LEU  27          1HD1      LEU  27  -2.137  -2.118  12.492
  211   2HD1  LEU  27          2HD1      LEU  27  -2.484  -0.902  11.239
  212   3HD1  LEU  27          3HD1      LEU  27  -2.161  -0.406  12.911
  213   1HD2  LEU  27          1HD2      LEU  27  -4.654   0.406  11.342
  214   2HD2  LEU  27          2HD2      LEU  27  -5.804   0.098  12.663
  215   3HD2  LEU  27          3HD2      LEU  27  -4.242   0.861  13.010
  216    H    LYS  28           H        LYS  28  -5.437  -5.058   9.897
  217    HA   LYS  28           HA       LYS  28  -7.309  -6.551  11.664
  218   1HB   LYS  28          2HB       LYS  28  -7.317  -5.897   8.715
  219   2HB   LYS  28          3HB       LYS  28  -8.323  -7.192   9.358
  220   1HG   LYS  28          2HG       LYS  28  -9.504  -5.799  10.829
  221   2HG   LYS  28          3HG       LYS  28  -8.360  -4.472  10.706
  222   1HD   LYS  28          2HD       LYS  28  -9.980  -5.322   8.280
  223   2HD   LYS  28          3HD       LYS  28 -10.662  -4.285   9.547
  224   1HE   LYS  28          2HE       LYS  28  -8.588  -2.805   9.294
  225   2HE   LYS  28          3HE       LYS  28  -8.223  -3.703   7.825
  226   1HZ   LYS  28          1HZ       LYS  28 -10.281  -2.919   6.874
  227   2HZ   LYS  28          2HZ       LYS  28 -10.770  -2.250   8.302
  228   3HZ   LYS  28          3HZ       LYS  28  -9.505  -1.603   7.502
  229    H    ARG  29           H        ARG  29  -4.233  -7.130  10.760
  230    HA   ARG  29           HA       ARG  29  -4.735 -10.078  11.132
  231   1HB   ARG  29          2HB       ARG  29  -2.554  -8.593   9.636
  232   2HB   ARG  29          3HB       ARG  29  -2.276 -10.200  10.308
  233   1HG   ARG  29          2HG       ARG  29  -4.491 -10.876   9.058
  234   2HG   ARG  29          3HG       ARG  29  -4.177  -9.411   8.091
  235   1HD   ARG  29          2HD       ARG  29  -1.887 -10.260   7.613
  236   2HD   ARG  29          3HD       ARG  29  -2.196 -11.663   8.633
  237    HE   ARG  29           HE       ARG  29  -4.150 -11.423   6.498
  238   1HH1  ARG  29          1HH2      ARG  29  -0.883 -12.497   7.175
  239   2HH1  ARG  29          2HH2      ARG  29  -0.804 -13.591   5.805
  240   1HH2  ARG  29          1HH1      ARG  29  -4.046 -12.910   4.764
  241   2HH2  ARG  29          2HH1      ARG  29  -2.528 -13.724   4.411
  242    H    VAL  30           H        VAL  30  -2.792  -7.351  12.386
  243    HA   VAL  30           HA       VAL  30  -2.148  -9.049  14.761
  244    HB   VAL  30           HB       VAL  30  -0.211  -7.213  13.287
  245   1HG1  VAL  30          1HG1      VAL  30   0.238  -7.163  15.709
  246   2HG1  VAL  30          2HG1      VAL  30   0.175  -8.943  15.779
  247   3HG1  VAL  30          3HG1      VAL  30   1.473  -8.121  14.900
  248   1HG2  VAL  30          1HG2      VAL  30  -0.234 -10.248  13.563
  249   2HG2  VAL  30          2HG2      VAL  30  -0.430  -9.313  12.064
  250   3HG2  VAL  30          3HG2      VAL  30   1.115  -9.293  12.911
  251    H    SER  31           H        SER  31  -2.254  -8.006  16.700
  252    HA   SER  31           HA       SER  31  -3.836  -5.639  16.906
  253   1HB   SER  31          2HB       SER  31  -4.016  -7.133  18.695
  254   2HB   SER  31          3HB       SER  31  -2.273  -7.317  18.860
  255    HG   SER  31           HG       SER  31  -2.439  -5.899  20.401
  256    H    ALA  32           H        ALA  32  -3.238  -3.645  16.461
  257    HA   ALA  32           HA       ALA  32  -0.768  -2.456  16.318
  258   1HB   ALA  32          1HB       ALA  32  -2.841  -1.452  15.529
  259   2HB   ALA  32          2HB       ALA  32  -3.409  -1.239  17.203
  260   3HB   ALA  32          3HB       ALA  32  -1.989  -0.344  16.616
  261    H    LYS  33           H        LYS  33  -2.443  -3.416  19.276
  262    HA   LYS  33           HA       LYS  33  -0.846  -1.687  21.018
  263   1HB   LYS  33          2HB       LYS  33  -3.255  -2.538  21.395
  264   2HB   LYS  33          3HB       LYS  33  -2.542  -4.073  21.809
  265   1HG   LYS  33          2HG       LYS  33  -1.125  -2.307  23.474
  266   2HG   LYS  33          3HG       LYS  33  -2.673  -1.506  23.296
  267   1HD   LYS  33          2HD       LYS  33  -3.128  -2.811  25.133
  268   2HD   LYS  33          3HD       LYS  33  -3.680  -3.897  23.868
  269   1HE   LYS  33          2HE       LYS  33  -1.169  -4.022  25.564
  270   2HE   LYS  33          3HE       LYS  33  -2.429  -5.246  25.362
  271   1HZ   LYS  33          1HZ       LYS  33  -1.565  -5.490  22.991
  272   2HZ   LYS  33          2HZ       LYS  33  -0.341  -4.488  23.382
  273   3HZ   LYS  33          3HZ       LYS  33  -0.508  -5.966  24.065
  274    H    GLU  34           H        GLU  34  -0.017  -4.452  19.246
  275    HA   GLU  34           HA       GLU  34   2.364  -4.794  21.020
  276   1HB   GLU  34          2HB       GLU  34   2.141  -7.046  19.279
  277   2HB   GLU  34          3HB       GLU  34   2.256  -6.996  21.023
  278   1HG   GLU  34          2HG       GLU  34  -0.266  -6.943  19.346
  279   2HG   GLU  34          3HG       GLU  34   0.394  -8.351  20.155
  280    H    ILE  35           H        ILE  35   1.455  -3.150  18.459
  281    HA   ILE  35           HA       ILE  35   3.973  -3.548  16.894
  282    HB   ILE  35           HB       ILE  35   1.274  -2.365  16.231
  283   1HG1  ILE  35          2HG1      ILE  35   2.896  -4.566  14.875
  284   2HG1  ILE  35          3HG1      ILE  35   1.612  -4.867  16.044
  285   1HG2  ILE  35          1HG2      ILE  35   2.915  -0.830  15.298
  286   2HG2  ILE  35          2HG2      ILE  35   3.755  -2.182  14.492
  287   3HG2  ILE  35          3HG2      ILE  35   2.099  -1.710  14.032
  288   1HD1  ILE  35          1HD1      ILE  35  -0.025  -3.760  14.509
  289   2HD1  ILE  35          2HD1      ILE  35   1.271  -3.624  13.292
  290   3HD1  ILE  35          3HD1      ILE  35   0.738  -5.212  13.839
  291    H    VAL  36           H        VAL  36   5.496  -2.001  17.055
  292    HA   VAL  36           HA       VAL  36   5.160   0.312  18.850
  293    HB   VAL  36           HB       VAL  36   7.425  -0.686  17.070
  294   1HG1  VAL  36          1HG1      VAL  36   7.598   1.722  17.000
  295   2HG1  VAL  36          2HG1      VAL  36   7.358   1.839  18.762
  296   3HG1  VAL  36          3HG1      VAL  36   8.830   1.091  18.097
  297   1HG2  VAL  36          1HG2      VAL  36   7.198  -0.368  20.095
  298   2HG2  VAL  36          2HG2      VAL  36   6.996  -1.887  19.207
  299   3HG2  VAL  36          3HG2      VAL  36   8.564  -1.073  19.198
  300    H    ASP  37           H        ASP  37   5.712  -0.225  15.321
  301    HA   ASP  37           HA       ASP  37   3.663   1.631  14.654
  302   1HB   ASP  37          2HB       ASP  37   5.944   3.046  15.251
  303   2HB   ASP  37          3HB       ASP  37   6.222   2.740  13.548
  304    H    ILE  38           H        ILE  38   3.832   2.242  12.206
  305    HA   ILE  38           HA       ILE  38   5.172   0.151  10.582
  306    HB   ILE  38           HB       ILE  38   3.362   0.083   8.969
  307   1HG1  ILE  38          2HG1      ILE  38   2.081   2.134   9.535
  308   2HG1  ILE  38          3HG1      ILE  38   1.142   0.690   9.246
  309   1HG2  ILE  38          1HG2      ILE  38   3.659  -1.743  10.438
  310   2HG2  ILE  38          2HG2      ILE  38   2.647  -1.008  11.695
  311   3HG2  ILE  38          3HG2      ILE  38   1.928  -1.514  10.143
  312   1HD1  ILE  38          1HD1      ILE  38   0.741   0.417  11.677
  313   2HD1  ILE  38          2HD1      ILE  38   1.666   1.910  11.985
  314   3HD1  ILE  38          3HD1      ILE  38   0.169   1.969  11.049
  315    H    ASP  39           H        ASP  39   6.046   0.851   8.714
  316    HA   ASP  39           HA       ASP  39   5.458   3.631   7.802
  317   1HB   ASP  39          2HB       ASP  39   8.227   2.415   8.162
  318   2HB   ASP  39          3HB       ASP  39   7.884   3.786   7.117
  319    H    ILE  40           H        ILE  40   4.643   3.447   5.802
  320    HA   ILE  40           HA       ILE  40   5.483   1.096   4.129
  321    HB   ILE  40           HB       ILE  40   2.996   2.786   3.860
  322   1HG1  ILE  40          2HG1      ILE  40   2.566   1.515   5.816
  323   2HG1  ILE  40          3HG1      ILE  40   1.783   0.663   4.481
  324   1HG2  ILE  40          1HG2      ILE  40   3.835   1.849   1.745
  325   2HG2  ILE  40          2HG2      ILE  40   3.810   0.225   2.447
  326   3HG2  ILE  40          3HG2      ILE  40   2.294   1.147   2.229
  327   1HD1  ILE  40          1HD1      ILE  40   3.648  -0.976   4.474
  328   2HD1  ILE  40          2HD1      ILE  40   4.362  -0.159   5.879
  329   3HD1  ILE  40          3HD1      ILE  40   2.789  -0.911   6.033
  330    H    THR  41           H        THR  41   7.014   1.593   2.760
  331    HA   THR  41           HA       THR  41   7.453   4.432   1.997
  332    HB   THR  41           HB       THR  41   8.990   1.827   1.529
  333    HG1  THR  41           1HG      THR  41   9.430   2.395   3.625
  334   1HG2  THR  41          1HG2      THR  41   9.452   3.369  -0.336
  335   2HG2  THR  41          2HG2      THR  41   9.716   4.705   0.813
  336   3HG2  THR  41          3HG2      THR  41  10.830   3.323   0.772
  337    H    VAL  42           H        VAL  42   6.253   5.134   0.371
  338    HA   VAL  42           HA       VAL  42   5.482   3.372  -1.885
  339    HB   VAL  42           HB       VAL  42   3.715   5.290  -2.151
  340   1HG1  VAL  42          1HG1      VAL  42   3.213   2.924  -1.857
  341   2HG1  VAL  42          2HG1      VAL  42   3.464   3.072  -0.102
  342   3HG1  VAL  42          3HG1      VAL  42   2.112   3.916  -0.887
  343   1HG2  VAL  42          1HG2      VAL  42   4.078   5.357   0.875
  344   2HG2  VAL  42          2HG2      VAL  42   4.451   6.697  -0.240
  345   3HG2  VAL  42          3HG2      VAL  42   2.786   6.117  -0.052
  346    H    LEU  43           H        LEU  43   6.471   3.719  -3.712
  347    HA   LEU  43           HA       LEU  43   7.186   6.523  -4.474
  348   1HB   LEU  43          2HB       LEU  43   8.658   3.994  -5.278
  349   2HB   LEU  43          3HB       LEU  43   9.024   5.621  -5.836
  350    HG   LEU  43           HG       LEU  43   9.189   4.726  -2.925
  351   1HD1  LEU  43          1HD1      LEU  43  10.851   3.574  -4.312
  352   2HD1  LEU  43          2HD1      LEU  43  11.407   5.133  -4.965
  353   3HD1  LEU  43          3HD1      LEU  43  11.621   4.752  -3.238
  354   1HD2  LEU  43          1HD2      LEU  43  10.146   7.277  -4.289
  355   2HD2  LEU  43          2HD2      LEU  43   8.831   7.140  -3.096
  356   3HD2  LEU  43          3HD2      LEU  43  10.492   6.809  -2.607
  357    H    VAL  44           H        VAL  44   6.504   7.199  -6.453
  358    HA   VAL  44           HA       VAL  44   5.412   5.234  -8.337
  359    HB   VAL  44           HB       VAL  44   3.467   5.732  -7.041
  360   1HG1  VAL  44          1HG1      VAL  44   4.009   7.966  -6.146
  361   2HG1  VAL  44          2HG1      VAL  44   3.770   8.671  -7.759
  362   3HG1  VAL  44          3HG1      VAL  44   2.414   7.909  -6.890
  363   1HG2  VAL  44          1HG2      VAL  44   3.267   7.116  -9.737
  364   2HG2  VAL  44          2HG2      VAL  44   3.278   5.356  -9.483
  365   3HG2  VAL  44          3HG2      VAL  44   1.963   6.332  -8.812
  366    H    GLU  45           H        GLU  45   5.860   5.664 -10.373
  367    HA   GLU  45           HA       GLU  45   7.070   8.277 -11.152
  368   1HB   GLU  45          2HB       GLU  45   8.372   5.526 -11.321
  369   2HB   GLU  45          3HB       GLU  45   9.034   7.005 -12.011
  370   1HG   GLU  45          2HG       GLU  45   9.387   7.943  -9.783
  371   2HG   GLU  45          3HG       GLU  45   8.617   6.544  -9.024
  372    H    TYR  46           H        TYR  46   7.392   8.438 -13.503
  373    HA   TYR  46           HA       TYR  46   6.217   6.300 -15.175
  374   1HB   TYR  46          2HB       TYR  46   4.432   8.028 -14.439
  375   2HB   TYR  46          3HB       TYR  46   5.249   9.159 -15.496
  376    HD1  TYR  46           HD1      TYR  46   2.717   6.765 -15.239
  377    HD2  TYR  46           HD2      TYR  46   5.679   8.192 -18.028
  378    HE1  TYR  46           HE1      TYR  46   1.428   5.766 -17.090
  379    HE2  TYR  46           HE2      TYR  46   4.412   7.130 -19.899
  380    HH   TYR  46           HH       TYR  46   1.419   5.279 -19.354
  381    H    THR  47           H        THR  47   7.956   5.884 -16.446
  382    HA   THR  47           HA       THR  47   9.112   8.135 -17.997
  383    HB   THR  47           HB       THR  47  10.844   6.186 -16.457
  384    HG1  THR  47           1HG      THR  47   9.806   8.502 -15.925
  385   1HG2  THR  47          1HG2      THR  47  11.853   6.529 -18.688
  386   2HG2  THR  47          2HG2      THR  47  11.600   8.286 -18.550
  387   3HG2  THR  47          3HG2      THR  47  12.738   7.455 -17.468
  388    H    ASP  48           H        ASP  48   8.040   7.574 -19.785
  389    HA   ASP  48           HA       ASP  48   7.329   6.508 -21.614
  390   1HB   ASP  48          2HB       ASP  48   9.842   6.062 -21.837
  391   2HB   ASP  48          3HB       ASP  48   9.492   4.417 -21.303
  392    H    GLU  49           H        GLU  49   7.856   4.403 -18.865
  393    HA   GLU  49           HA       GLU  49   5.138   3.293 -19.168
  394   1HB   GLU  49          2HB       GLU  49   7.633   1.786 -19.291
  395   2HB   GLU  49          3HB       GLU  49   6.746   1.316 -17.852
  396   1HG   GLU  49          2HG       GLU  49   5.507   1.395 -20.637
  397   2HG   GLU  49          3HG       GLU  49   6.282  -0.024 -19.938
  398    H    LEU  50           H        LEU  50   4.295   2.456 -17.170
  399    HA   LEU  50           HA       LEU  50   4.626   4.421 -14.997
  400   1HB   LEU  50          2HB       LEU  50   2.398   3.840 -15.833
  401   2HB   LEU  50          3HB       LEU  50   2.721   2.125 -15.627
  402    HG   LEU  50           HG       LEU  50   2.754   2.413 -13.151
  403   1HD1  LEU  50          1HD1      LEU  50   3.360   4.829 -13.021
  404   2HD1  LEU  50          2HD1      LEU  50   1.776   5.244 -13.717
  405   3HD1  LEU  50          3HD1      LEU  50   1.885   4.454 -12.131
  406   1HD2  LEU  50          1HD2      LEU  50   0.241   3.434 -14.528
  407   2HD2  LEU  50          2HD2      LEU  50   0.713   1.729 -14.332
  408   3HD2  LEU  50          3HD2      LEU  50   0.337   2.707 -12.906
  409    H    LYS  51           H        LYS  51   5.701   4.053 -13.141
  410    HA   LYS  51           HA       LYS  51   6.186   1.242 -12.232
  411   1HB   LYS  51          2HB       LYS  51   8.317   1.952 -12.939
  412   2HB   LYS  51          3HB       LYS  51   8.066   3.593 -12.383
  413   1HG   LYS  51          2HG       LYS  51   9.707   2.562 -10.986
  414   2HG   LYS  51          3HG       LYS  51   8.269   2.883 -10.033
  415   1HD   LYS  51          2HD       LYS  51   7.654   0.413 -10.333
  416   2HD   LYS  51          3HD       LYS  51   9.239   0.182 -11.075
  417   1HE   LYS  51          2HE       LYS  51  10.393   0.777  -9.056
  418   2HE   LYS  51          3HE       LYS  51   8.953   1.527  -8.367
  419   1HZ   LYS  51          1HZ       LYS  51   7.928  -0.624  -8.173
  420   2HZ   LYS  51          2HZ       LYS  51   9.260  -1.389  -8.789
  421   3HZ   LYS  51          3HZ       LYS  51   9.339  -0.626  -7.326
  422    H    VAL  52           H        VAL  52   5.600   0.809 -10.245
  423    HA   VAL  52           HA       VAL  52   5.222   2.954  -8.256
  424    HB   VAL  52           HB       VAL  52   2.975   2.388  -9.042
  425   1HG1  VAL  52          1HG1      VAL  52   3.335   0.054  -9.794
  426   2HG1  VAL  52          2HG1      VAL  52   3.503  -0.462  -8.097
  427   3HG1  VAL  52          3HG1      VAL  52   1.970   0.195  -8.689
  428   1HG2  VAL  52          1HG2      VAL  52   3.403   1.252  -6.246
  429   2HG2  VAL  52          2HG2      VAL  52   3.329   2.985  -6.647
  430   3HG2  VAL  52          3HG2      VAL  52   1.920   1.949  -6.910
  431    H    ASP  53           H        ASP  53   5.983   2.407  -6.269
  432    HA   ASP  53           HA       ASP  53   6.872  -0.389  -5.802
  433   1HB   ASP  53          2HB       ASP  53   8.803   1.422  -6.209
  434   2HB   ASP  53          3HB       ASP  53   8.422   1.879  -4.547
  435    H    ILE  54           H        ILE  54   5.988  -1.184  -4.083
  436    HA   ILE  54           HA       ILE  54   5.322   0.611  -1.828
  437    HB   ILE  54           HB       ILE  54   3.763  -1.922  -2.312
  438   1HG1  ILE  54          2HG1      ILE  54   2.744   0.775  -3.269
  439   2HG1  ILE  54          3HG1      ILE  54   3.360  -0.484  -4.346
  440   1HG2  ILE  54          1HG2      ILE  54   3.791  -0.869  -0.073
  441   2HG2  ILE  54          2HG2      ILE  54   3.318   0.689  -0.772
  442   3HG2  ILE  54          3HG2      ILE  54   2.184  -0.652  -0.791
  443   1HD1  ILE  54          1HD1      ILE  54   1.669  -2.085  -3.496
  444   2HD1  ILE  54          2HD1      ILE  54   0.940  -0.791  -2.534
  445   3HD1  ILE  54          3HD1      ILE  54   0.990  -0.667  -4.320
  446    H    SER  55           H        SER  55   6.874   0.250  -0.519
  447    HA   SER  55           HA       SER  55   7.948  -2.501  -0.015
  448   1HB   SER  55          2HB       SER  55   9.324   0.212  -0.245
  449   2HB   SER  55          3HB       SER  55  10.042  -1.161   0.615
  450    HG   SER  55           HG       SER  55   9.495  -0.939  -2.235
  451    H    ALA  56           H        ALA  56   7.936  -3.034   2.258
  452    HA   ALA  56           HA       ALA  56   6.499  -1.000   3.932
  453   1HB   ALA  56          1HB       ALA  56   4.896  -2.527   2.907
  454   2HB   ALA  56          2HB       ALA  56   5.823  -3.927   3.501
  455   3HB   ALA  56          3HB       ALA  56   5.019  -2.846   4.653
  456    H    GLU  57           H        GLU  57   7.007  -0.750   5.918
  457    HA   GLU  57           HA       GLU  57   8.937  -2.584   7.242
  458   1HB   GLU  57          2HB       GLU  57   8.528   0.415   7.534
  459   2HB   GLU  57          3HB       GLU  57   9.682  -0.572   8.376
  460   1HG   GLU  57          2HG       GLU  57  10.802   0.728   6.772
  461   2HG   GLU  57          3HG       GLU  57  10.946  -0.967   6.363
  462    H    LEU  58           H        LEU  58   8.122  -3.567   9.018
  463    HA   LEU  58           HA       LEU  58   5.776  -2.408  10.455
  464   1HB   LEU  58          2HB       LEU  58   5.240  -4.258   8.815
  465   2HB   LEU  58          3HB       LEU  58   6.250  -5.340   9.762
  466    HG   LEU  58           HG       LEU  58   3.681  -3.974  10.693
  467   1HD1  LEU  58          1HD1      LEU  58   3.342  -5.752   9.023
  468   2HD1  LEU  58          2HD1      LEU  58   4.282  -6.883  10.024
  469   3HD1  LEU  58          3HD1      LEU  58   2.732  -6.239  10.608
  470   1HD2  LEU  58          1HD2      LEU  58   5.476  -5.946  12.147
  471   2HD2  LEU  58          2HD2      LEU  58   4.977  -4.322  12.693
  472   3HD2  LEU  58          3HD2      LEU  58   3.790  -5.613  12.609
  473    H    TYR  59           H        TYR  59   6.438  -1.865  12.450
  474    HA   TYR  59           HA       TYR  59   8.801  -3.282  13.583
  475   1HB   TYR  59          2HB       TYR  59   7.746  -0.470  14.018
  476   2HB   TYR  59          3HB       TYR  59   9.150  -1.174  14.801
  477    HD1  TYR  59           HD1      TYR  59   8.065   0.744  11.943
  478    HD2  TYR  59           HD2      TYR  59  11.012  -2.159  13.198
  479    HE1  TYR  59           HE1      TYR  59   9.582   1.515  10.164
  480    HE2  TYR  59           HE2      TYR  59  12.509  -1.418  11.371
  481    HH   TYR  59           HH       TYR  59  12.793   0.031   9.612
  482    H    LEU  60           H        LEU  60   8.127  -4.853  14.866
  483    HA   LEU  60           HA       LEU  60   5.727  -4.680  16.531
  484   1HB   LEU  60          2HB       LEU  60   7.854  -6.783  15.995
  485   2HB   LEU  60          3HB       LEU  60   6.647  -7.015  17.252
  486    HG   LEU  60           HG       LEU  60   5.848  -6.385  14.395
  487   1HD1  LEU  60          1HD1      LEU  60   7.204  -8.452  14.390
  488   2HD1  LEU  60          2HD1      LEU  60   6.159  -9.140  15.654
  489   3HD1  LEU  60          3HD1      LEU  60   5.501  -8.772  14.039
  490   1HD2  LEU  60          1HD2      LEU  60   4.349  -7.814  16.630
  491   2HD2  LEU  60          2HD2      LEU  60   4.137  -6.102  16.248
  492   3HD2  LEU  60          3HD2      LEU  60   3.707  -7.332  15.045
  493    H    ASP  61           H        ASP  61   5.629  -4.932  18.757
  494    HA   ASP  61           HA       ASP  61   7.638  -3.643  20.419
  495   1HB   ASP  61          2HB       ASP  61   5.197  -3.719  20.886
  496   2HB   ASP  61          3HB       ASP  61   5.278  -5.470  21.057
  497    H    GLU  62           H        GLU  62   9.320  -4.548  21.613
  498    HA   GLU  62           HA       GLU  62  10.404  -7.029  20.707
  499   1HB   GLU  62          2HB       GLU  62  12.115  -6.667  22.444
  500   2HB   GLU  62          3HB       GLU  62  11.879  -5.286  21.396
  501   1HG   GLU  62          2HG       GLU  62  10.358  -5.320  24.007
  502   2HG   GLU  62          3HG       GLU  62  12.101  -5.102  24.066
  503    H    LEU  63           H        LEU  63   7.912  -6.648  23.022
  504    HA   LEU  63           HA       LEU  63   8.450  -9.342  24.168
  505   1HB   LEU  63          2HB       LEU  63   7.479  -6.941  25.253
  506   2HB   LEU  63          3HB       LEU  63   6.021  -7.883  25.026
  507    HG   LEU  63           HG       LEU  63   8.515  -8.773  26.555
  508   1HD1  LEU  63          1HD1      LEU  63   7.331  -6.904  27.644
  509   2HD1  LEU  63          2HD1      LEU  63   5.807  -7.814  27.573
  510   3HD1  LEU  63          3HD1      LEU  63   7.156  -8.401  28.576
  511   1HD2  LEU  63          1HD2      LEU  63   5.763 -10.072  26.367
  512   2HD2  LEU  63          2HD2      LEU  63   7.285 -10.736  25.743
  513   3HD2  LEU  63          3HD2      LEU  63   7.057 -10.562  27.489
  514    H    SER  64           H        SER  64   7.112  -8.188  21.374
  515    HA   SER  64           HA       SER  64   4.712  -9.920  21.311
  516   1HB   SER  64          2HB       SER  64   4.808  -7.566  20.368
  517   2HB   SER  64          3HB       SER  64   5.864  -8.207  19.089
  518    HG   SER  64           HG       SER  64   3.514  -8.128  18.710
  519    H    ASP  65           H        ASP  65   4.435 -11.054  19.080
  520    HA   ASP  65           HA       ASP  65   6.655 -12.303  17.853
  521   1HB   ASP  65          2HB       ASP  65   6.648 -13.627  19.979
  522   2HB   ASP  65          3HB       ASP  65   4.977 -14.101  19.663
  523    H    ALA  66           H        ALA  66   5.911 -12.307  15.892
  524    HA   ALA  66           HA       ALA  66   3.265 -13.392  15.173
  525   1HB   ALA  66          1HB       ALA  66   3.025 -10.904  15.287
  526   2HB   ALA  66          2HB       ALA  66   4.310 -10.756  14.063
  527   3HB   ALA  66          3HB       ALA  66   2.772 -11.545  13.653
  528    H    ASP  67           H        ASP  67   3.187 -13.593  12.594
  529    HA   ASP  67           HA       ASP  67   5.223 -15.461  12.141
  530   1HB   ASP  67          2HB       ASP  67   3.146 -14.452  10.157
  531   2HB   ASP  67          3HB       ASP  67   3.952 -16.017  10.147
  532    HA   PRO  68           HA       PRO  68   8.241 -13.076   9.989
  533   1HB   PRO  68          2HB       PRO  68   9.931 -15.017   9.081
  534   2HB   PRO  68          3HB       PRO  68   9.604 -14.759  10.815
  535   1HG   PRO  68          2HG       PRO  68   8.226 -16.745   8.969
  536   2HG   PRO  68          3HG       PRO  68   9.045 -17.082  10.532
  537   1HD   PRO  68          2HD       PRO  68   6.369 -16.673  10.418
  538   2HD   PRO  68          3HD       PRO  68   7.340 -16.013  11.765
  539    H    GLY  69           H        GLY  69   6.049 -12.918   8.536
  540   1HA   GLY  69          2HA       GLY  69   6.923 -12.196   5.929
  541   2HA   GLY  69          3HA       GLY  69   6.116 -13.761   5.796
  542    H    ILE  70           H        ILE  70   4.499 -12.211   8.319
  543    HA   ILE  70           HA       ILE  70   2.106 -12.171   6.967
  544    HB   ILE  70           HB       ILE  70   2.732 -12.274   9.446
  545   1HG1  ILE  70          2HG1      ILE  70   0.330 -10.489   9.014
  546   2HG1  ILE  70          3HG1      ILE  70   0.381 -12.151   8.402
  547   1HG2  ILE  70          1HG2      ILE  70   3.967 -10.107   9.577
  548   2HG2  ILE  70          2HG2      ILE  70   2.416  -9.241   9.378
  549   3HG2  ILE  70          3HG2      ILE  70   2.706 -10.260  10.794
  550   1HD1  ILE  70          1HD1      ILE  70   0.837 -13.040  10.619
  551   2HD1  ILE  70          2HD1      ILE  70   0.818 -11.413  11.315
  552   3HD1  ILE  70          3HD1      ILE  70  -0.668 -12.098  10.620
  553    H    VAL  71           H        VAL  71   4.408  -9.608   6.917
  554    HA   VAL  71           HA       VAL  71   2.525  -7.570   5.997
  555    HB   VAL  71           HB       VAL  71   4.410  -7.006   7.385
  556   1HG1  VAL  71          1HG1      VAL  71   6.153  -8.560   6.542
  557   2HG1  VAL  71          2HG1      VAL  71   6.223  -7.642   5.021
  558   3HG1  VAL  71          3HG1      VAL  71   6.711  -6.883   6.545
  559   1HG2  VAL  71          1HG2      VAL  71   4.668  -5.676   4.675
  560   2HG2  VAL  71          2HG2      VAL  71   3.414  -5.313   5.875
  561   3HG2  VAL  71          3HG2      VAL  71   5.117  -4.993   6.250
  562    H    ASP  72           H        ASP  72   4.540 -10.037   4.409
  563    HA   ASP  72           HA       ASP  72   4.799  -8.709   1.857
  564   1HB   ASP  72          2HB       ASP  72   6.126 -10.690   2.591
  565   2HB   ASP  72          3HB       ASP  72   4.664 -11.680   2.532
  566    H    GLU  73           H        GLU  73   2.390 -10.940   3.238
  567    HA   GLU  73           HA       GLU  73   0.513 -10.879   1.087
  568   1HB   GLU  73          2HB       GLU  73   0.187 -11.355   4.072
  569   2HB   GLU  73          3HB       GLU  73  -1.104 -11.565   2.879
  570   1HG   GLU  73          2HG       GLU  73   0.249 -13.270   1.686
  571   2HG   GLU  73          3HG       GLU  73   1.531 -13.095   2.917
  572    H    ALA  74           H        ALA  74   1.144  -8.507   3.710
  573    HA   ALA  74           HA       ALA  74  -1.336  -7.059   3.268
  574   1HB   ALA  74          1HB       ALA  74   0.203  -6.987   5.363
  575   2HB   ALA  74          2HB       ALA  74   1.225  -5.882   4.411
  576   3HB   ALA  74          3HB       ALA  74  -0.455  -5.462   4.769
  577    H    VAL  75           H        VAL  75   2.042  -6.731   2.058
  578    HA   VAL  75           HA       VAL  75   1.377  -4.445   0.432
  579    HB   VAL  75           HB       VAL  75   3.650  -6.246  -0.351
  580   1HG1  VAL  75          1HG1      VAL  75   2.955  -4.038  -1.497
  581   2HG1  VAL  75          2HG1      VAL  75   3.475  -3.224  -0.014
  582   3HG1  VAL  75          3HG1      VAL  75   4.644  -4.161  -0.959
  583   1HG2  VAL  75          1HG2      VAL  75   3.576  -4.597   2.194
  584   2HG2  VAL  75          2HG2      VAL  75   4.240  -6.225   1.906
  585   3HG2  VAL  75          3HG2      VAL  75   5.085  -4.837   1.280
  586    H    ASP  76           H        ASP  76   1.591  -7.957  -0.344
  587    HA   ASP  76           HA       ASP  76   0.798  -7.868  -3.041
  588   1HB   ASP  76          2HB       ASP  76   1.615  -9.856  -1.868
  589   2HB   ASP  76          3HB       ASP  76   0.177  -9.873  -0.846
  590    H    ALA  77           H        ALA  77  -1.325  -7.844  -0.104
  591    HA   ALA  77           HA       ALA  77  -3.791  -7.718  -1.531
  592   1HB   ALA  77          1HB       ALA  77  -3.621  -8.271   0.841
  593   2HB   ALA  77          2HB       ALA  77  -3.096  -6.617   1.211
  594   3HB   ALA  77          3HB       ALA  77  -4.723  -6.905   0.576
  595    H    ALA  78           H        ALA  78  -1.540  -5.062  -0.561
  596    HA   ALA  78           HA       ALA  78  -3.257  -2.986  -1.631
  597   1HB   ALA  78          1HB       ALA  78  -1.571  -2.529   0.027
  598   2HB   ALA  78          2HB       ALA  78  -0.260  -2.972  -1.097
  599   3HB   ALA  78          3HB       ALA  78  -1.280  -1.555  -1.417
  600    H    TYR  79           H        TYR  79  -0.520  -4.870  -3.074
  601    HA   TYR  79           HA       TYR  79  -0.582  -3.564  -5.614
  602   1HB   TYR  79          2HB       TYR  79   0.219  -6.382  -4.785
  603   2HB   TYR  79          3HB       TYR  79   0.354  -5.805  -6.433
  604    HD1  TYR  79           HD1      TYR  79   2.204  -6.201  -3.444
  605    HD2  TYR  79           HD2      TYR  79   1.581  -3.467  -6.739
  606    HE1  TYR  79           HE1      TYR  79   4.456  -5.212  -3.075
  607    HE2  TYR  79           HE2      TYR  79   3.815  -2.450  -6.314
  608    HH   TYR  79           HH       TYR  79   5.815  -3.313  -3.507
  609    H    ARG  80           H        ARG  80  -2.449  -6.463  -4.495
  610    HA   ARG  80           HA       ARG  80  -3.940  -6.665  -6.982
  611   1HB   ARG  80          2HB       ARG  80  -4.507  -7.724  -4.180
  612   2HB   ARG  80          3HB       ARG  80  -5.481  -8.116  -5.612
  613   1HG   ARG  80          2HG       ARG  80  -3.494  -9.063  -6.742
  614   2HG   ARG  80          3HG       ARG  80  -2.493  -8.650  -5.348
  615   1HD   ARG  80          2HD       ARG  80  -4.151 -10.100  -3.971
  616   2HD   ARG  80          3HD       ARG  80  -4.659 -10.766  -5.532
  617    HE   ARG  80           HE       ARG  80  -2.103 -11.078  -4.088
  618   1HH1  ARG  80          1HH2      ARG  80  -3.621 -11.697  -7.196
  619   2HH1  ARG  80          2HH2      ARG  80  -2.202 -12.493  -7.836
  620   1HH2  ARG  80          1HH1      ARG  80  -0.294 -11.783  -5.025
  621   2HH2  ARG  80          2HH1      ARG  80  -0.334 -12.655  -6.551
  622    H    SER  81           H        SER  81  -4.581  -4.897  -3.950
  623    HA   SER  81           HA       SER  81  -7.173  -3.921  -4.701
  624   1HB   SER  81          2HB       SER  81  -5.074  -2.525  -2.992
  625   2HB   SER  81          3HB       SER  81  -6.800  -2.133  -3.083
  626    HG   SER  81           HG       SER  81  -5.570  -4.514  -2.102
  627    H    LEU  82           H        LEU  82  -3.865  -2.609  -5.337
  628    HA   LEU  82           HA       LEU  82  -4.720  -0.339  -6.805
  629   1HB   LEU  82          2HB       LEU  82  -2.409  -0.809  -5.896
  630   2HB   LEU  82          3HB       LEU  82  -2.182  -1.997  -7.154
  631    HG   LEU  82           HG       LEU  82  -2.342  -0.283  -8.896
  632   1HD1  LEU  82          1HD1      LEU  82  -3.858   1.357  -7.901
  633   2HD1  LEU  82          2HD1      LEU  82  -2.683   1.715  -6.614
  634   3HD1  LEU  82          3HD1      LEU  82  -2.329   2.134  -8.302
  635   1HD2  LEU  82          1HD2      LEU  82  -0.421   0.436  -6.644
  636   2HD2  LEU  82          2HD2      LEU  82  -0.166  -0.790  -7.903
  637   3HD2  LEU  82          3HD2      LEU  82  -0.260   0.925  -8.347
  638    H    GLU  83           H        GLU  83  -3.794  -3.656  -7.991
  639    HA   GLU  83           HA       GLU  83  -4.341  -3.063 -10.714
  640   1HB   GLU  83          2HB       GLU  83  -3.162  -5.123  -9.613
  641   2HB   GLU  83          3HB       GLU  83  -4.785  -5.792  -9.459
  642   1HG   GLU  83          2HG       GLU  83  -3.953  -6.681 -11.471
  643   2HG   GLU  83          3HG       GLU  83  -5.018  -5.386 -12.009
  644    H    SER  84           H        SER  84  -6.559  -4.366  -8.181
  645    HA   SER  84           HA       SER  84  -8.854  -4.476  -9.883
  646   1HB   SER  84          2HB       SER  84  -8.609  -5.661  -7.722
  647   2HB   SER  84          3HB       SER  84  -8.737  -4.110  -6.866
  648    HG   SER  84           HG       SER  84 -10.689  -5.029  -8.708
  649    H    PHE  85           H        PHE  85  -7.509  -1.777  -7.950
  650    HA   PHE  85           HA       PHE  85  -9.636   0.073  -8.480
  651   1HB   PHE  85          2HB       PHE  85  -8.046   0.399  -6.711
  652   2HB   PHE  85          3HB       PHE  85  -6.696   0.382  -7.818
  653    HD1  PHE  85           HD1      PHE  85  -9.824   2.316  -7.079
  654    HD2  PHE  85           HD2      PHE  85  -5.811   2.371  -8.626
  655    HE1  PHE  85           HE1      PHE  85  -9.808   4.811  -6.962
  656    HE2  PHE  85           HE2      PHE  85  -5.803   4.838  -8.561
  657    HZ   PHE  85           HZ       PHE  85  -7.777   6.073  -7.648
  658    H    LEU  86           H        LEU  86  -6.594  -0.656 -10.370
  659    HA   LEU  86           HA       LEU  86  -7.439   1.083 -12.533
  660   1HB   LEU  86          2HB       LEU  86  -5.482  -1.241 -12.532
  661   2HB   LEU  86          3HB       LEU  86  -5.962  -0.361 -13.970
  662    HG   LEU  86           HG       LEU  86  -3.883   0.525 -13.361
  663   1HD1  LEU  86          1HD1      LEU  86  -5.646   2.254 -13.941
  664   2HD1  LEU  86          2HD1      LEU  86  -5.765   2.585 -12.188
  665   3HD1  LEU  86          3HD1      LEU  86  -4.242   2.861 -13.033
  666   1HD2  LEU  86          1HD2      LEU  86  -4.853   1.089 -10.536
  667   2HD2  LEU  86          2HD2      LEU  86  -3.723  -0.200 -11.023
  668   3HD2  LEU  86          3HD2      LEU  86  -3.270   1.503 -11.212
  669    H    ASP  87           H        ASP  87  -8.208  -2.400 -11.845
  670    HA   ASP  87           HA       ASP  87  -9.679  -2.758 -14.259
  671   1HB   ASP  87          2HB       ASP  87 -10.344  -3.911 -11.527
  672   2HB   ASP  87          3HB       ASP  87 -11.060  -4.399 -13.047
  673    H    GLY  88           H        GLY  88 -10.486  -0.697 -11.478
  674   1HA   GLY  88          2HA       GLY  88 -13.239  -0.219 -12.345
  675   2HA   GLY  88          3HA       GLY  88 -12.280   0.735 -11.202
  676    H    PHE  89           H        PHE  89 -10.242   0.651 -13.732
  677    HA   PHE  89           HA       PHE  89 -11.311   3.192 -14.877
  678   1HB   PHE  89          2HB       PHE  89  -8.525   2.465 -13.956
  679   2HB   PHE  89          3HB       PHE  89  -8.889   3.895 -14.880
  680    HD1  PHE  89           HD1      PHE  89  -7.425   3.996 -12.397
  681    HD2  PHE  89           HD2      PHE  89 -11.685   4.208 -13.017
  682    HE1  PHE  89           HE1      PHE  89  -7.657   5.423 -10.396
  683    HE2  PHE  89           HE2      PHE  89 -11.917   5.540 -10.956
  684    HZ   PHE  89           HZ       PHE  89  -9.909   6.168  -9.643
  685    H    ARG  90           H        ARG  90  -9.140   0.420 -15.602
  686    HA   ARG  90           HA       ARG  90  -8.812   1.312 -18.402
  687   1HB   ARG  90          2HB       ARG  90  -7.825  -1.153 -16.881
  688   2HB   ARG  90          3HB       ARG  90  -7.495  -0.817 -18.596
  689   1HG   ARG  90          2HG       ARG  90  -6.576   1.437 -17.903
  690   2HG   ARG  90          3HG       ARG  90  -6.695   0.929 -16.215
  691   1HD   ARG  90          2HD       ARG  90  -5.089  -0.841 -16.546
  692   2HD   ARG  90          3HD       ARG  90  -5.095  -0.614 -18.297
  693    HE   ARG  90           HE       ARG  90  -3.633   0.938 -16.319
  694   1HH1  ARG  90          1HH2      ARG  90  -4.924   1.091 -19.577
  695   2HH1  ARG  90          2HH2      ARG  90  -3.896   2.415 -20.050
  696   1HH2  ARG  90          1HH1      ARG  90  -2.335   2.664 -16.968
  697   2HH2  ARG  90          2HH1      ARG  90  -2.463   3.283 -18.587
  698    H    GLU  91           H        GLU  91 -10.669  -1.046 -16.608
  699    HA   GLU  91           HA       GLU  91 -12.264  -1.716 -19.065
  700   1HB   GLU  91          2HB       GLU  91 -12.452  -2.688 -16.199
  701   2HB   GLU  91          3HB       GLU  91 -13.621  -3.105 -17.438
  702   1HG   GLU  91          2HG       GLU  91 -10.651  -3.722 -17.748
  703   2HG   GLU  91          3HG       GLU  91 -11.763  -4.793 -16.914
  Start of MODEL   25
    1    H    MET   1           H1       MET   1 -16.522   7.890 -18.249
    2    HA   MET   1           HA       MET   1 -15.960   7.251 -16.021
    3   1HB   MET   1          2HB       MET   1 -15.507   4.960 -15.442
    4   2HB   MET   1          3HB       MET   1 -17.129   5.066 -16.122
    5   1HG   MET   1          2HG       MET   1 -16.079   4.333 -18.365
    6   2HG   MET   1          3HG       MET   1 -14.622   3.958 -17.432
    7   1HE   MET   1          1HE       MET   1 -15.931   1.788 -19.229
    8   2HE   MET   1          2HE       MET   1 -14.560   1.464 -18.141
    9   3HE   MET   1          3HE       MET   1 -15.969   0.392 -18.128
   10    H    SER   2           H        SER   2 -13.687   6.296 -15.468
   11    HA   SER   2           HA       SER   2 -11.558   5.573 -16.241
   12   1HB   SER   2          2HB       SER   2 -10.234   6.837 -17.873
   13   2HB   SER   2          3HB       SER   2 -11.637   6.034 -18.582
   14    HG   SER   2           HG       SER   2 -12.724   7.925 -18.584
   15    H    LEU   3           H        LEU   3  -9.471   6.664 -15.764
   16    HA   LEU   3           HA       LEU   3  -9.724   8.198 -13.356
   17   1HB   LEU   3          2HB       LEU   3  -7.315   7.967 -13.266
   18   2HB   LEU   3          3HB       LEU   3  -8.085   6.427 -13.572
   19    HG   LEU   3           HG       LEU   3  -6.865   8.095 -15.815
   20   1HD1  LEU   3          1HD1      LEU   3  -5.170   7.654 -14.087
   21   2HD1  LEU   3          2HD1      LEU   3  -5.540   5.915 -14.145
   22   3HD1  LEU   3          3HD1      LEU   3  -4.829   6.746 -15.557
   23   1HD2  LEU   3          1HD2      LEU   3  -7.644   5.159 -15.603
   24   2HD2  LEU   3          2HD2      LEU   3  -8.162   6.359 -16.820
   25   3HD2  LEU   3          3HD2      LEU   3  -6.521   5.770 -16.832
   26    H    ARG   4           H        ARG   4  -8.253  10.073 -12.931
   27    HA   ARG   4           HA       ARG   4  -8.844  12.290 -14.761
   28   1HB   ARG   4          2HB       ARG   4  -7.402  12.046 -12.086
   29   2HB   ARG   4          3HB       ARG   4  -7.660  13.590 -12.886
   30   1HG   ARG   4          2HG       ARG   4  -9.875  11.733 -11.907
   31   2HG   ARG   4          3HG       ARG   4  -9.261  13.156 -11.059
   32   1HD   ARG   4          2HD       ARG   4  -9.947  14.596 -12.953
   33   2HD   ARG   4          3HD       ARG   4 -10.619  13.174 -13.787
   34    HE   ARG   4           HE       ARG   4 -11.792  13.205 -11.255
   35   1HH1  ARG   4          1HH2      ARG   4 -11.791  15.387 -13.993
   36   2HH1  ARG   4          2HH2      ARG   4 -13.380  16.014 -13.643
   37   1HH2  ARG   4          1HH1      ARG   4 -13.839  14.036 -10.840
   38   2HH2  ARG   4          2HH1      ARG   4 -14.513  15.250 -11.882
   39    H    LYS   5           H        LYS   5  -7.025  13.933 -15.045
   40    HA   LYS   5           HA       LYS   5  -4.712  12.787 -16.457
   41   1HB   LYS   5          2HB       LYS   5  -5.589  15.615 -15.717
   42   2HB   LYS   5          3HB       LYS   5  -3.960  15.267 -16.281
   43   1HG   LYS   5          2HG       LYS   5  -5.259  16.055 -18.121
   44   2HG   LYS   5          3HG       LYS   5  -4.794  14.374 -18.394
   45   1HD   LYS   5          2HD       LYS   5  -7.061  13.614 -17.844
   46   2HD   LYS   5          3HD       LYS   5  -7.538  15.276 -17.407
   47   1HE   LYS   5          2HE       LYS   5  -7.075  16.021 -19.716
   48   2HE   LYS   5          3HE       LYS   5  -6.538  14.393 -20.152
   49   1HZ   LYS   5          1HZ       LYS   5  -8.773  13.594 -19.678
   50   2HZ   LYS   5          2HZ       LYS   5  -9.276  15.109 -19.279
   51   3HZ   LYS   5          3HZ       LYS   5  -8.823  14.772 -20.823
   52    H    LEU   6           H        LEU   6  -3.222  11.798 -15.252
   53    HA   LEU   6           HA       LEU   6  -3.125  12.104 -12.425
   54   1HB   LEU   6          2HB       LEU   6  -1.273  10.686 -14.391
   55   2HB   LEU   6          3HB       LEU   6  -1.142  10.543 -12.648
   56    HG   LEU   6           HG       LEU   6  -3.532   9.634 -14.297
   57   1HD1  LEU   6          1HD1      LEU   6  -1.506   8.261 -14.621
   58   2HD1  LEU   6          2HD1      LEU   6  -1.338   8.077 -12.861
   59   3HD1  LEU   6          3HD1      LEU   6  -2.732   7.371 -13.701
   60   1HD2  LEU   6          1HD2      LEU   6  -2.934   9.396 -11.312
   61   2HD2  LEU   6          2HD2      LEU   6  -4.308  10.246 -12.068
   62   3HD2  LEU   6          3HD2      LEU   6  -4.204   8.488 -12.146
   63    H    THR   7           H        THR   7  -2.192  13.643 -11.276
   64    HA   THR   7           HA       THR   7   0.615  14.421 -11.853
   65    HB   THR   7           HB       THR   7  -0.834  16.142 -12.850
   66    HG1  THR   7           1HG      THR   7   0.209  17.829 -11.892
   67   1HG2  THR   7          1HG2      THR   7  -2.805  16.079 -11.388
   68   2HG2  THR   7          2HG2      THR   7  -1.838  16.666 -10.020
   69   3HG2  THR   7          3HG2      THR   7  -2.107  17.703 -11.437
   70    H    GLU   8           H        GLU   8   0.966  16.123  -9.753
   71    HA   GLU   8           HA       GLU   8   1.744  14.462  -7.702
   72   1HB   GLU   8          2HB       GLU   8   0.880  17.366  -7.403
   73   2HB   GLU   8          3HB       GLU   8   1.928  16.488  -6.292
   74   1HG   GLU   8          2HG       GLU   8   2.585  17.134  -9.204
   75   2HG   GLU   8          3HG       GLU   8   3.159  18.017  -7.798
   76    H    GLY   9           H        GLY   9  -1.450  16.054  -7.882
   77   1HA   GLY   9          2HA       GLY   9  -2.337  15.334  -5.238
   78   2HA   GLY   9          3HA       GLY   9  -3.357  15.811  -6.608
   79    H    ASP  10           H        ASP  10  -2.948  13.785  -8.478
   80    HA   ASP  10           HA       ASP  10  -4.540  11.640  -7.437
   81   1HB   ASP  10          2HB       ASP  10  -2.827  11.474  -9.936
   82   2HB   ASP  10          3HB       ASP  10  -4.402  10.747  -9.622
   83    H    LEU  11           H        LEU  11  -1.065  12.008  -8.146
   84    HA   LEU  11           HA       LEU  11  -0.296   9.306  -7.478
   85   1HB   LEU  11          2HB       LEU  11   1.134  11.938  -7.847
   86   2HB   LEU  11          3HB       LEU  11   2.001  10.551  -7.226
   87    HG   LEU  11           HG       LEU  11   1.755   9.306  -9.194
   88   1HD1  LEU  11          1HD1      LEU  11  -0.569   9.612  -9.843
   89   2HD1  LEU  11          2HD1      LEU  11  -0.200  11.263 -10.403
   90   3HD1  LEU  11          3HD1      LEU  11   0.537   9.856 -11.196
   91   1HD2  LEU  11          1HD2      LEU  11   2.182  12.178 -10.079
   92   2HD2  LEU  11          2HD2      LEU  11   3.401  11.137  -9.317
   93   3HD2  LEU  11          3HD2      LEU  11   2.759  10.717 -10.915
   94    H    ASP  12           H        ASP  12  -0.358  12.345  -5.465
   95    HA   ASP  12           HA       ASP  12   0.443  11.075  -3.047
   96   1HB   ASP  12          2HB       ASP  12   0.332  13.496  -3.305
   97   2HB   ASP  12          3HB       ASP  12  -1.421  13.432  -3.519
   98    H    GLU  13           H        GLU  13  -2.891  11.562  -4.409
   99    HA   GLU  13           HA       GLU  13  -4.301  10.273  -2.349
  100   1HB   GLU  13          2HB       GLU  13  -5.305  11.662  -4.133
  101   2HB   GLU  13          3HB       GLU  13  -4.984  10.387  -5.317
  102   1HG   GLU  13          2HG       GLU  13  -6.480   8.848  -4.049
  103   2HG   GLU  13          3HG       GLU  13  -6.775  10.124  -2.863
  104    H    ILE  14           H        ILE  14  -2.951   8.774  -5.351
  105    HA   ILE  14           HA       ILE  14  -3.756   6.097  -4.655
  106    HB   ILE  14           HB       ILE  14  -1.646   7.234  -6.505
  107   1HG1  ILE  14          2HG1      ILE  14  -4.254   5.713  -7.029
  108   2HG1  ILE  14          3HG1      ILE  14  -4.139   7.462  -7.006
  109   1HG2  ILE  14          1HG2      ILE  14  -0.784   5.036  -5.787
  110   2HG2  ILE  14          2HG2      ILE  14  -2.358   4.285  -6.131
  111   3HG2  ILE  14          3HG2      ILE  14  -1.350   4.938  -7.442
  112   1HD1  ILE  14          1HD1      ILE  14  -2.526   7.379  -8.919
  113   2HD1  ILE  14          2HD1      ILE  14  -2.805   5.617  -9.020
  114   3HD1  ILE  14          3HD1      ILE  14  -4.143   6.736  -9.289
  115    H    SER  15           H        SER  15  -0.636   7.866  -3.999
  116    HA   SER  15           HA       SER  15   0.568   5.770  -2.559
  117   1HB   SER  15          2HB       SER  15   2.070   7.354  -1.717
  118   2HB   SER  15          3HB       SER  15   1.557   8.039  -3.257
  119    HG   SER  15           HG       SER  15  -0.041   9.282  -1.870
  120    H    SER  16           H        SER  16  -1.752   8.197  -1.379
  121    HA   SER  16           HA       SER  16  -1.783   7.345   1.360
  122   1HB   SER  16          2HB       SER  16  -2.522   9.564   0.536
  123   2HB   SER  16          3HB       SER  16  -3.911   8.799  -0.260
  124    HG   SER  16           HG       SER  16  -4.356   9.637   1.850
  125    H    PHE  17           H        PHE  17  -3.869   6.476  -1.475
  126    HA   PHE  17           HA       PHE  17  -5.699   4.841  -0.069
  127   1HB   PHE  17          2HB       PHE  17  -6.059   5.599  -2.355
  128   2HB   PHE  17          3HB       PHE  17  -4.646   4.720  -2.918
  129    HD1  PHE  17           HD1      PHE  17  -7.823   3.962  -1.009
  130    HD2  PHE  17           HD2      PHE  17  -5.069   2.750  -4.101
  131    HE1  PHE  17           HE1      PHE  17  -9.228   1.973  -1.491
  132    HE2  PHE  17           HE2      PHE  17  -6.469   0.755  -4.563
  133    HZ   PHE  17           HZ       PHE  17  -8.547   0.366  -3.267
  134    H    LEU  18           H        LEU  18  -2.529   3.897  -1.562
  135    HA   LEU  18           HA       LEU  18  -2.859   1.182  -0.511
  136   1HB   LEU  18          2HB       LEU  18  -0.493   2.517  -1.852
  137   2HB   LEU  18          3HB       LEU  18  -0.488   0.880  -1.228
  138    HG   LEU  18           HG       LEU  18  -0.943   0.425  -3.392
  139   1HD1  LEU  18          1HD1      LEU  18  -2.880  -0.495  -2.112
  140   2HD1  LEU  18          2HD1      LEU  18  -3.822   0.945  -2.546
  141   3HD1  LEU  18          3HD1      LEU  18  -3.256  -0.156  -3.803
  142   1HD2  LEU  18          1HD2      LEU  18  -2.736   2.839  -3.703
  143   2HD2  LEU  18          2HD2      LEU  18  -1.012   2.778  -4.141
  144   3HD2  LEU  18          3HD2      LEU  18  -2.175   1.733  -4.967
  145    H    HIS  19           H        HIS  19  -1.032   4.062   0.685
  146    HA   HIS  19           HA       HIS  19   0.182   2.696   2.849
  147   1HB   HIS  19          2HB       HIS  19   0.716   4.987   2.149
  148   2HB   HIS  19          3HB       HIS  19  -0.868   5.542   2.687
  149    HD1  HIS  19           HD1      HIS  19   0.596   7.255   4.250
  150    HD2  HIS  19           HD2      HIS  19   0.880   3.161   5.151
  151    HE1  HIS  19           HE1      HIS  19   1.636   7.081   6.581
  152    H    ASN  20           H        ASN  20  -3.105   4.187   2.692
  153    HA   ASN  20           HA       ASN  20  -3.907   3.303   5.328
  154   1HB   ASN  20          2HB       ASN  20  -5.459   4.144   2.846
  155   2HB   ASN  20          3HB       ASN  20  -6.241   3.613   4.336
  156   1HD2  ASN  20          2HD2      ASN  20  -4.288   6.214   2.904
  157   2HD2  ASN  20          1HD2      ASN  20  -4.591   7.322   4.243
  158    H    THR  21           H        THR  21  -4.225   1.757   2.065
  159    HA   THR  21           HA       THR  21  -5.754  -0.464   2.921
  160    HB   THR  21           HB       THR  21  -3.643  -0.392   0.721
  161    HG1  THR  21           1HG      THR  21  -5.282   1.106   0.328
  162   1HG2  THR  21          1HG2      THR  21  -4.208  -2.721   1.197
  163   2HG2  THR  21          2HG2      THR  21  -5.944  -2.327   1.186
  164   3HG2  THR  21          3HG2      THR  21  -4.983  -2.216  -0.303
  165    H    ILE  22           H        ILE  22  -2.131  -0.205   2.757
  166    HA   ILE  22           HA       ILE  22  -1.697  -2.824   3.907
  167    HB   ILE  22           HB       ILE  22   0.096  -0.372   3.903
  168   1HG1  ILE  22          2HG1      ILE  22  -0.141  -2.754   2.040
  169   2HG1  ILE  22          3HG1      ILE  22  -0.425  -1.051   1.667
  170   1HG2  ILE  22          1HG2      ILE  22   0.748  -2.131   5.636
  171   2HG2  ILE  22          2HG2      ILE  22   0.919  -3.291   4.301
  172   3HG2  ILE  22          3HG2      ILE  22   1.966  -1.880   4.405
  173   1HD1  ILE  22          1HD1      ILE  22   2.037  -0.647   2.222
  174   2HD1  ILE  22          2HD1      ILE  22   2.203  -2.425   2.157
  175   3HD1  ILE  22          3HD1      ILE  22   1.608  -1.551   0.722
  176    H    SER  23           H        SER  23  -1.953   0.455   5.377
  177    HA   SER  23           HA       SER  23  -1.341  -0.284   8.036
  178   1HB   SER  23          2HB       SER  23  -3.314   1.851   7.132
  179   2HB   SER  23          3HB       SER  23  -2.546   1.721   8.723
  180    HG   SER  23           HG       SER  23  -1.347   2.288   6.201
  181    H    ASP  24           H        ASP  24  -4.597  -0.152   6.451
  182    HA   ASP  24           HA       ASP  24  -6.029  -1.249   8.680
  183   1HB   ASP  24          2HB       ASP  24  -6.605  -1.198   5.687
  184   2HB   ASP  24          3HB       ASP  24  -7.743  -1.797   6.894
  185    H    PHE  25           H        PHE  25  -4.441  -2.867   5.849
  186    HA   PHE  25           HA       PHE  25  -5.474  -5.432   6.567
  187   1HB   PHE  25          2HB       PHE  25  -4.524  -4.618   4.317
  188   2HB   PHE  25          3HB       PHE  25  -2.928  -4.930   4.972
  189    HD1  PHE  25           HD1      PHE  25  -5.705  -6.252   3.187
  190    HD2  PHE  25           HD2      PHE  25  -2.474  -7.433   5.782
  191    HE1  PHE  25           HE1      PHE  25  -5.929  -8.588   2.396
  192    HE2  PHE  25           HE2      PHE  25  -2.730  -9.766   5.005
  193    HZ   PHE  25           HZ       PHE  25  -4.390 -10.348   3.270
  194    H    ILE  26           H        ILE  26  -2.429  -3.735   7.511
  195    HA   ILE  26           HA       ILE  26  -1.342  -5.891   9.070
  196    HB   ILE  26           HB       ILE  26  -1.007  -2.876   8.962
  197   1HG1  ILE  26          2HG1      ILE  26   0.893  -5.221   8.446
  198   2HG1  ILE  26          3HG1      ILE  26  -0.015  -4.372   7.200
  199   1HG2  ILE  26          1HG2      ILE  26  -0.766  -3.429  11.321
  200   2HG2  ILE  26          2HG2      ILE  26   0.366  -4.747  10.920
  201   3HG2  ILE  26          3HG2      ILE  26   0.796  -3.043  10.630
  202   1HD1  ILE  26          1HD1      ILE  26   1.170  -2.240   7.864
  203   2HD1  ILE  26          2HD1      ILE  26   2.227  -3.221   8.896
  204   3HD1  ILE  26          3HD1      ILE  26   2.193  -3.511   7.148
  205    H    LEU  27           H        LEU  27  -3.430  -3.035   9.997
  206    HA   LEU  27           HA       LEU  27  -3.746  -3.866  12.676
  207   1HB   LEU  27          2HB       LEU  27  -5.109  -1.962  10.823
  208   2HB   LEU  27          3HB       LEU  27  -6.110  -2.525  12.134
  209    HG   LEU  27           HG       LEU  27  -4.983  -0.404  12.629
  210   1HD1  LEU  27          1HD1      LEU  27  -5.700  -1.942  14.440
  211   2HD1  LEU  27          2HD1      LEU  27  -4.069  -2.642  14.479
  212   3HD1  LEU  27          3HD1      LEU  27  -4.323  -0.930  14.894
  213   1HD2  LEU  27          1HD2      LEU  27  -2.376  -1.980  12.736
  214   2HD2  LEU  27          2HD2      LEU  27  -2.816  -0.790  11.491
  215   3HD2  LEU  27          3HD2      LEU  27  -2.617  -0.276  13.171
  216    H    LYS  28           H        LYS  28  -5.701  -4.893   9.862
  217    HA   LYS  28           HA       LYS  28  -7.420  -6.515  11.571
  218   1HB   LYS  28          2HB       LYS  28  -8.639  -7.059   9.638
  219   2HB   LYS  28          3HB       LYS  28  -8.066  -5.405   9.392
  220   1HG   LYS  28          2HG       LYS  28  -7.593  -6.136   7.361
  221   2HG   LYS  28          3HG       LYS  28  -6.102  -6.575   8.180
  222   1HD   LYS  28          2HD       LYS  28  -7.040  -8.938   8.416
  223   2HD   LYS  28          3HD       LYS  28  -8.368  -8.413   7.357
  224   1HE   LYS  28          2HE       LYS  28  -6.734  -7.727   5.632
  225   2HE   LYS  28          3HE       LYS  28  -5.395  -8.119   6.713
  226   1HZ   LYS  28          1HZ       LYS  28  -6.097 -10.435   6.641
  227   2HZ   LYS  28          2HZ       LYS  28  -7.314 -10.066   5.589
  228   3HZ   LYS  28          3HZ       LYS  28  -5.737  -9.856   5.147
  229    H    ARG  29           H        ARG  29  -4.219  -7.077  10.511
  230    HA   ARG  29           HA       ARG  29  -4.568 -10.012  11.026
  231   1HB   ARG  29          2HB       ARG  29  -2.634  -8.405   9.334
  232   2HB   ARG  29          3HB       ARG  29  -2.160  -9.983   9.911
  233   1HG   ARG  29          2HG       ARG  29  -4.783  -9.584   8.466
  234   2HG   ARG  29          3HG       ARG  29  -3.276  -9.903   7.604
  235   1HD   ARG  29          2HD       ARG  29  -4.310 -11.736   9.829
  236   2HD   ARG  29          3HD       ARG  29  -4.732 -11.939   8.132
  237    HE   ARG  29           HE       ARG  29  -2.408 -12.254   7.556
  238   1HH1  ARG  29          1HH2      ARG  29  -2.706 -12.369  11.166
  239   2HH1  ARG  29          2HH2      ARG  29  -1.314 -13.476  11.177
  240   1HH2  ARG  29          1HH1      ARG  29  -0.535 -13.345   7.952
  241   2HH2  ARG  29          2HH1      ARG  29  -0.264 -13.960   9.625
  242    H    VAL  30           H        VAL  30  -2.761  -7.234  12.241
  243    HA   VAL  30           HA       VAL  30  -2.163  -8.786  14.686
  244    HB   VAL  30           HB       VAL  30  -0.178  -9.060  13.341
  245   1HG1  VAL  30          1HG1      VAL  30  -0.319  -7.116  11.822
  246   2HG1  VAL  30          2HG1      VAL  30   0.069  -6.029  13.173
  247   3HG1  VAL  30          3HG1      VAL  30   1.257  -7.222  12.607
  248   1HG2  VAL  30          1HG2      VAL  30   0.339  -7.041  15.550
  249   2HG2  VAL  30          2HG2      VAL  30   0.126  -8.799  15.737
  250   3HG2  VAL  30          3HG2      VAL  30   1.513  -8.171  14.846
  251    H    SER  31           H        SER  31  -2.212  -7.487  16.575
  252    HA   SER  31           HA       SER  31  -3.721  -4.991  16.213
  253   1HB   SER  31          2HB       SER  31  -4.306  -6.548  18.009
  254   2HB   SER  31          3HB       SER  31  -2.679  -6.403  18.704
  255    HG   SER  31           HG       SER  31  -4.406  -5.035  19.600
  256    H    ALA  32           H        ALA  32  -2.907  -2.953  16.324
  257    HA   ALA  32           HA       ALA  32  -0.278  -2.164  16.453
  258   1HB   ALA  32          1HB       ALA  32  -2.756  -0.685  17.410
  259   2HB   ALA  32          2HB       ALA  32  -1.177   0.055  17.064
  260   3HB   ALA  32          3HB       ALA  32  -2.091  -0.708  15.755
  261    H    LYS  33           H        LYS  33  -2.227  -3.253  19.207
  262    HA   LYS  33           HA       LYS  33  -0.512  -2.121  21.264
  263   1HB   LYS  33          2HB       LYS  33  -2.837  -2.873  21.638
  264   2HB   LYS  33          3HB       LYS  33  -2.357  -4.551  21.351
  265   1HG   LYS  33          2HG       LYS  33  -1.021  -4.636  23.319
  266   2HG   LYS  33          3HG       LYS  33  -1.005  -2.884  23.508
  267   1HD   LYS  33          2HD       LYS  33  -3.466  -4.660  23.818
  268   2HD   LYS  33          3HD       LYS  33  -2.460  -4.101  25.152
  269   1HE   LYS  33          2HE       LYS  33  -4.061  -2.322  23.259
  270   2HE   LYS  33          3HE       LYS  33  -4.510  -2.745  24.913
  271   1HZ   LYS  33          1HZ       LYS  33  -2.511  -1.620  25.684
  272   2HZ   LYS  33          2HZ       LYS  33  -2.082  -1.236  24.148
  273   3HZ   LYS  33          3HZ       LYS  33  -3.438  -0.578  24.808
  274    H    GLU  34           H        GLU  34  -0.047  -4.768  19.073
  275    HA   GLU  34           HA       GLU  34   2.135  -6.001  20.659
  276   1HB   GLU  34          2HB       GLU  34   1.091  -6.617  17.862
  277   2HB   GLU  34          3HB       GLU  34   2.152  -7.626  18.820
  278   1HG   GLU  34          2HG       GLU  34   0.389  -8.160  20.388
  279   2HG   GLU  34          3HG       GLU  34  -0.698  -6.962  19.690
  280    H    ILE  35           H        ILE  35   1.722  -3.440  18.464
  281    HA   ILE  35           HA       ILE  35   4.314  -3.747  17.035
  282    HB   ILE  35           HB       ILE  35   1.821  -2.124  16.451
  283   1HG1  ILE  35          2HG1      ILE  35   1.488  -4.634  16.212
  284   2HG1  ILE  35          3HG1      ILE  35   1.128  -3.659  14.806
  285   1HG2  ILE  35          1HG2      ILE  35   3.648  -1.003  15.410
  286   2HG2  ILE  35          2HG2      ILE  35   4.277  -2.516  14.713
  287   3HG2  ILE  35          3HG2      ILE  35   2.730  -1.838  14.161
  288   1HD1  ILE  35          1HD1      ILE  35   3.096  -4.381  13.675
  289   2HD1  ILE  35          2HD1      ILE  35   3.777  -5.101  15.155
  290   3HD1  ILE  35          3HD1      ILE  35   2.353  -5.823  14.378
  291    H    VAL  36           H        VAL  36   5.907  -2.300  17.363
  292    HA   VAL  36           HA       VAL  36   5.643  -0.023  19.215
  293    HB   VAL  36           HB       VAL  36   7.898  -1.141  17.502
  294   1HG1  VAL  36          1HG1      VAL  36   8.257   1.242  17.453
  295   2HG1  VAL  36          2HG1      VAL  36   7.952   1.377  19.203
  296   3HG1  VAL  36          3HG1      VAL  36   9.392   0.522  18.597
  297   1HG2  VAL  36          1HG2      VAL  36   7.603  -0.819  20.519
  298   2HG2  VAL  36          2HG2      VAL  36   7.301  -2.317  19.622
  299   3HG2  VAL  36          3HG2      VAL  36   8.930  -1.630  19.654
  300    H    ASP  37           H        ASP  37   6.257  -0.471  15.673
  301    HA   ASP  37           HA       ASP  37   4.593   1.792  15.022
  302   1HB   ASP  37          2HB       ASP  37   7.011   2.686  15.843
  303   2HB   ASP  37          3HB       ASP  37   7.440   2.321  14.182
  304    H    ILE  38           H        ILE  38   5.021   2.438  12.568
  305    HA   ILE  38           HA       ILE  38   5.928   0.132  10.927
  306    HB   ILE  38           HB       ILE  38   4.067   0.296   9.384
  307   1HG1  ILE  38          2HG1      ILE  38   2.803   2.247  11.354
  308   2HG1  ILE  38          3HG1      ILE  38   3.284   2.566   9.686
  309   1HG2  ILE  38          1HG2      ILE  38   4.087  -1.302  11.362
  310   2HG2  ILE  38          2HG2      ILE  38   2.887  -0.251  12.118
  311   3HG2  ILE  38          3HG2      ILE  38   2.540  -1.052  10.558
  312   1HD1  ILE  38          1HD1      ILE  38   1.567   0.856   8.938
  313   2HD1  ILE  38          2HD1      ILE  38   0.981   0.817  10.616
  314   3HD1  ILE  38          3HD1      ILE  38   0.914   2.325   9.691
  315    H    ASP  39           H        ASP  39   6.855   0.615   9.002
  316    HA   ASP  39           HA       ASP  39   6.981   3.485   8.136
  317   1HB   ASP  39          2HB       ASP  39   9.147   1.359   8.073
  318   2HB   ASP  39          3HB       ASP  39   9.131   2.696   6.938
  319    H    ILE  40           H        ILE  40   5.786   3.706   6.331
  320    HA   ILE  40           HA       ILE  40   5.883   1.555   4.271
  321    HB   ILE  40           HB       ILE  40   3.408   2.922   5.356
  322   1HG1  ILE  40          2HG1      ILE  40   3.869  -0.007   4.711
  323   2HG1  ILE  40          3HG1      ILE  40   4.368   0.652   6.276
  324   1HG2  ILE  40          1HG2      ILE  40   2.198   1.759   3.438
  325   2HG2  ILE  40          2HG2      ILE  40   3.225   3.088   2.914
  326   3HG2  ILE  40          3HG2      ILE  40   3.778   1.404   2.722
  327   1HD1  ILE  40          1HD1      ILE  40   2.026   1.337   6.710
  328   2HD1  ILE  40          2HD1      ILE  40   1.565   0.523   5.191
  329   3HD1  ILE  40          3HD1      ILE  40   2.278  -0.417   6.520
  330    H    THR  41           H        THR  41   6.578   2.243   2.454
  331    HA   THR  41           HA       THR  41   6.267   5.113   1.655
  332    HB   THR  41           HB       THR  41   8.581   3.209   1.121
  333    HG1  THR  41           1HG      THR  41   8.385   4.317   3.171
  334   1HG2  THR  41          1HG2      THR  41   8.254   4.616  -0.861
  335   2HG2  THR  41          2HG2      THR  41   8.105   6.069   0.161
  336   3HG2  THR  41          3HG2      THR  41   9.650   5.198   0.057
  337    H    VAL  42           H        VAL  42   5.144   5.384  -0.145
  338    HA   VAL  42           HA       VAL  42   4.968   3.186  -2.162
  339    HB   VAL  42           HB       VAL  42   2.895   5.335  -1.578
  340   1HG1  VAL  42          1HG1      VAL  42   2.926   4.945  -3.956
  341   2HG1  VAL  42          2HG1      VAL  42   3.099   3.194  -3.739
  342   3HG1  VAL  42          3HG1      VAL  42   1.574   3.990  -3.329
  343   1HG2  VAL  42          1HG2      VAL  42   2.575   2.330  -1.318
  344   2HG2  VAL  42          2HG2      VAL  42   2.840   3.426   0.059
  345   3HG2  VAL  42          3HG2      VAL  42   1.388   3.587  -0.928
  346    H    LEU  43           H        LEU  43   6.011   3.707  -3.962
  347    HA   LEU  43           HA       LEU  43   6.593   6.571  -4.576
  348   1HB   LEU  43          2HB       LEU  43   8.426   4.380  -4.115
  349   2HB   LEU  43          3HB       LEU  43   8.445   4.733  -5.836
  350    HG   LEU  43           HG       LEU  43   8.831   7.171  -5.279
  351   1HD1  LEU  43          1HD1      LEU  43   9.353   6.075  -2.482
  352   2HD1  LEU  43          2HD1      LEU  43   9.641   7.741  -3.027
  353   3HD1  LEU  43          3HD1      LEU  43   7.987   7.118  -2.915
  354   1HD2  LEU  43          1HD2      LEU  43  10.879   5.165  -4.240
  355   2HD2  LEU  43          2HD2      LEU  43  10.681   5.684  -5.927
  356   3HD2  LEU  43          3HD2      LEU  43  11.218   6.849  -4.706
  357    H    VAL  44           H        VAL  44   6.217   7.254  -6.617
  358    HA   VAL  44           HA       VAL  44   5.291   5.349  -8.668
  359    HB   VAL  44           HB       VAL  44   3.246   5.926  -7.524
  360   1HG1  VAL  44          1HG1      VAL  44   3.901   8.014  -6.396
  361   2HG1  VAL  44          2HG1      VAL  44   3.857   8.867  -7.953
  362   3HG1  VAL  44          3HG1      VAL  44   2.377   8.149  -7.262
  363   1HG2  VAL  44          1HG2      VAL  44   3.398   7.558 -10.090
  364   2HG2  VAL  44          2HG2      VAL  44   3.250   5.790 -10.024
  365   3HG2  VAL  44          3HG2      VAL  44   1.961   6.811  -9.362
  366    H    GLU  45           H        GLU  45   6.049   5.870 -10.648
  367    HA   GLU  45           HA       GLU  45   6.899   8.617 -11.248
  368   1HB   GLU  45          2HB       GLU  45   9.168   8.132 -11.761
  369   2HB   GLU  45          3HB       GLU  45   8.881   7.686 -10.084
  370   1HG   GLU  45          2HG       GLU  45   8.817   5.309 -10.678
  371   2HG   GLU  45          3HG       GLU  45   8.927   5.702 -12.403
  372    H    TYR  46           H        TYR  46   7.595   8.872 -13.541
  373    HA   TYR  46           HA       TYR  46   6.498   6.756 -15.323
  374   1HB   TYR  46          2HB       TYR  46   4.784   8.515 -14.549
  375   2HB   TYR  46          3HB       TYR  46   5.654   9.659 -15.547
  376    HD1  TYR  46           HD1      TYR  46   2.740   8.421 -15.536
  377    HD2  TYR  46           HD2      TYR  46   6.227   7.804 -18.011
  378    HE1  TYR  46           HE1      TYR  46   1.291   7.626 -17.359
  379    HE2  TYR  46           HE2      TYR  46   4.773   6.990 -19.844
  380    HH   TYR  46           HH       TYR  46   1.220   6.809 -19.521
  381    H    THR  47           H        THR  47   8.283   6.267 -16.406
  382    HA   THR  47           HA       THR  47   9.955   8.421 -17.624
  383    HB   THR  47           HB       THR  47  11.074   7.870 -15.605
  384    HG1  THR  47           1HG      THR  47  13.009   7.068 -16.583
  385   1HG2  THR  47          1HG2      THR  47  10.266   5.537 -15.189
  386   2HG2  THR  47          2HG2      THR  47  11.369   4.967 -16.463
  387   3HG2  THR  47          3HG2      THR  47  12.004   5.755 -15.008
  388    H    ASP  48           H        ASP  48   8.775   8.039 -19.438
  389    HA   ASP  48           HA       ASP  48   8.071   7.196 -21.384
  390   1HB   ASP  48          2HB       ASP  48  10.538   6.674 -21.676
  391   2HB   ASP  48          3HB       ASP  48  10.155   5.005 -21.238
  392    H    GLU  49           H        GLU  49   8.578   4.697 -18.943
  393    HA   GLU  49           HA       GLU  49   5.845   3.602 -19.455
  394   1HB   GLU  49          2HB       GLU  49   7.742   2.018 -19.808
  395   2HB   GLU  49          3HB       GLU  49   8.280   2.304 -18.148
  396   1HG   GLU  49          2HG       GLU  49   6.185   1.331 -17.287
  397   2HG   GLU  49          3HG       GLU  49   5.572   1.142 -18.933
  398    H    LEU  50           H        LEU  50   4.560   3.200 -17.576
  399    HA   LEU  50           HA       LEU  50   4.968   5.052 -15.315
  400   1HB   LEU  50          2HB       LEU  50   2.769   4.952 -16.362
  401   2HB   LEU  50          3HB       LEU  50   2.728   3.195 -16.215
  402    HG   LEU  50           HG       LEU  50   2.604   3.383 -13.740
  403   1HD1  LEU  50          1HD1      LEU  50   3.694   5.578 -13.388
  404   2HD1  LEU  50          2HD1      LEU  50   2.358   6.382 -14.236
  405   3HD1  LEU  50          3HD1      LEU  50   2.077   5.550 -12.692
  406   1HD2  LEU  50          1HD2      LEU  50   0.489   4.985 -15.230
  407   2HD2  LEU  50          2HD2      LEU  50   0.566   3.210 -15.101
  408   3HD2  LEU  50          3HD2      LEU  50   0.295   4.188 -13.650
  409    H    LYS  51           H        LYS  51   5.767   4.413 -13.384
  410    HA   LYS  51           HA       LYS  51   5.891   1.500 -12.713
  411   1HB   LYS  51          2HB       LYS  51   7.983   3.624 -12.146
  412   2HB   LYS  51          3HB       LYS  51   8.129   1.929 -11.737
  413   1HG   LYS  51          2HG       LYS  51   7.960   2.896 -14.633
  414   2HG   LYS  51          3HG       LYS  51   9.455   2.882 -13.726
  415   1HD   LYS  51          2HD       LYS  51   9.277   0.939 -15.159
  416   2HD   LYS  51          3HD       LYS  51   9.396   0.478 -13.456
  417   1HE   LYS  51          2HE       LYS  51   7.044  -0.071 -13.359
  418   2HE   LYS  51          3HE       LYS  51   6.758   0.663 -14.951
  419   1HZ   LYS  51          1HZ       LYS  51   8.018  -0.994 -15.993
  420   2HZ   LYS  51          2HZ       LYS  51   8.492  -1.697 -14.568
  421   3HZ   LYS  51          3HZ       LYS  51   6.910  -1.754 -15.069
  422    H    VAL  52           H        VAL  52   5.723   0.954 -10.595
  423    HA   VAL  52           HA       VAL  52   5.221   3.004  -8.543
  424    HB   VAL  52           HB       VAL  52   3.372   0.645  -9.112
  425   1HG1  VAL  52          1HG1      VAL  52   3.657   0.783  -6.674
  426   2HG1  VAL  52          2HG1      VAL  52   3.378   2.538  -6.713
  427   3HG1  VAL  52          3HG1      VAL  52   2.074   1.398  -7.109
  428   1HG2  VAL  52          1HG2      VAL  52   2.831   3.643  -8.980
  429   2HG2  VAL  52          2HG2      VAL  52   2.847   2.653 -10.457
  430   3HG2  VAL  52          3HG2      VAL  52   1.607   2.380  -9.230
  431    H    ASP  53           H        ASP  53   6.053   2.424  -6.613
  432    HA   ASP  53           HA       ASP  53   7.008  -0.361  -6.155
  433   1HB   ASP  53          2HB       ASP  53   9.012   0.938  -6.676
  434   2HB   ASP  53          3HB       ASP  53   8.508   2.228  -5.574
  435    H    ILE  54           H        ILE  54   6.621  -1.075  -4.092
  436    HA   ILE  54           HA       ILE  54   5.631   0.848  -2.088
  437    HB   ILE  54           HB       ILE  54   4.254  -1.818  -2.523
  438   1HG1  ILE  54          2HG1      ILE  54   3.214   0.964  -3.199
  439   2HG1  ILE  54          3HG1      ILE  54   3.618  -0.296  -4.364
  440   1HG2  ILE  54          1HG2      ILE  54   4.367  -1.012  -0.179
  441   2HG2  ILE  54          2HG2      ILE  54   3.723   0.558  -0.671
  442   3HG2  ILE  54          3HG2      ILE  54   2.732  -0.906  -0.814
  443   1HD1  ILE  54          1HD1      ILE  54   1.838  -1.752  -3.408
  444   2HD1  ILE  54          2HD1      ILE  54   1.341  -0.422  -2.342
  445   3HD1  ILE  54          3HD1      ILE  54   1.244  -0.231  -4.116
  446    H    SER  55           H        SER  55   6.820   0.689  -0.391
  447    HA   SER  55           HA       SER  55   8.164  -1.889   0.331
  448   1HB   SER  55          2HB       SER  55   9.758  -0.312  -0.710
  449   2HB   SER  55          3HB       SER  55   9.306   0.928   0.482
  450    HG   SER  55           HG       SER  55  11.173  -0.288   1.090
  451    H    ALA  56           H        ALA  56   7.605  -2.535   2.325
  452    HA   ALA  56           HA       ALA  56   6.629  -0.560   4.310
  453   1HB   ALA  56          1HB       ALA  56   4.660  -1.590   3.185
  454   2HB   ALA  56          2HB       ALA  56   5.276  -3.198   3.633
  455   3HB   ALA  56          3HB       ALA  56   4.773  -2.056   4.896
  456    H    GLU  57           H        GLU  57   7.145  -0.995   6.386
  457    HA   GLU  57           HA       GLU  57   8.155  -3.648   7.163
  458   1HB   GLU  57          2HB       GLU  57  10.183  -2.312   6.569
  459   2HB   GLU  57          3HB       GLU  57   9.676  -1.054   7.701
  460   1HG   GLU  57          2HG       GLU  57  11.453  -2.460   8.631
  461   2HG   GLU  57          3HG       GLU  57   9.994  -2.549   9.600
  462    H    LEU  58           H        LEU  58   7.924  -4.053   9.399
  463    HA   LEU  58           HA       LEU  58   6.601  -1.941  10.977
  464   1HB   LEU  58          2HB       LEU  58   4.877  -3.282  11.867
  465   2HB   LEU  58          3HB       LEU  58   4.761  -3.179  10.117
  466    HG   LEU  58           HG       LEU  58   5.761  -5.560  10.060
  467   1HD1  LEU  58          1HD1      LEU  58   6.596  -5.926  12.272
  468   2HD1  LEU  58          2HD1      LEU  58   5.116  -5.298  13.021
  469   3HD1  LEU  58          3HD1      LEU  58   5.120  -6.868  12.178
  470   1HD2  LEU  58          1HD2      LEU  58   3.052  -4.890  11.295
  471   2HD2  LEU  58          2HD2      LEU  58   3.438  -5.065   9.571
  472   3HD2  LEU  58          3HD2      LEU  58   3.472  -6.485  10.620
  473    H    TYR  59           H        TYR  59   6.964  -1.880  13.077
  474    HA   TYR  59           HA       TYR  59   9.290  -3.512  13.998
  475   1HB   TYR  59          2HB       TYR  59   8.320  -0.789  14.935
  476   2HB   TYR  59          3HB       TYR  59   9.784  -1.621  15.438
  477    HD1  TYR  59           HD1      TYR  59  11.675  -1.946  13.752
  478    HD2  TYR  59           HD2      TYR  59   8.204   0.455  12.855
  479    HE1  TYR  59           HE1      TYR  59  12.911  -0.809  11.904
  480    HE2  TYR  59           HE2      TYR  59   9.428   1.588  11.072
  481    HH   TYR  59           HH       TYR  59  11.400   1.868   9.964
  482    H    LEU  60           H        LEU  60   8.585  -5.159  15.188
  483    HA   LEU  60           HA       LEU  60   6.100  -5.081  16.769
  484   1HB   LEU  60          2HB       LEU  60   8.287  -7.114  16.164
  485   2HB   LEU  60          3HB       LEU  60   7.114  -7.433  17.427
  486    HG   LEU  60           HG       LEU  60   6.204  -6.702  14.638
  487   1HD1  LEU  60          1HD1      LEU  60   7.692  -8.644  14.404
  488   2HD1  LEU  60          2HD1      LEU  60   6.804  -9.498  15.686
  489   3HD1  LEU  60          3HD1      LEU  60   6.005  -9.103  14.142
  490   1HD2  LEU  60          1HD2      LEU  60   4.140  -7.738  15.271
  491   2HD2  LEU  60          2HD2      LEU  60   4.860  -8.468  16.714
  492   3HD2  LEU  60          3HD2      LEU  60   4.599  -6.720  16.654
  493    H    ASP  61           H        ASP  61   6.019  -5.341  19.039
  494    HA   ASP  61           HA       ASP  61   8.228  -4.187  20.571
  495   1HB   ASP  61          2HB       ASP  61   5.886  -4.026  21.356
  496   2HB   ASP  61          3HB       ASP  61   5.825  -5.786  21.529
  497    H    GLU  62           H        GLU  62   9.597  -5.319  22.046
  498    HA   GLU  62           HA       GLU  62  10.767  -7.696  20.839
  499   1HB   GLU  62          2HB       GLU  62  12.516  -7.469  22.506
  500   2HB   GLU  62          3HB       GLU  62  12.183  -5.947  21.694
  501   1HG   GLU  62          2HG       GLU  62  10.929  -5.128  23.651
  502   2HG   GLU  62          3HG       GLU  62  11.150  -6.681  24.468
  503    H    LEU  63           H        LEU  63   8.087  -7.776  22.249
  504    HA   LEU  63           HA       LEU  63   8.418 -10.367  23.651
  505   1HB   LEU  63          2HB       LEU  63   8.131  -8.436  25.210
  506   2HB   LEU  63          3HB       LEU  63   6.626  -8.016  24.404
  507    HG   LEU  63           HG       LEU  63   5.559 -10.068  25.236
  508   1HD1  LEU  63          1HD1      LEU  63   7.451 -11.628  25.289
  509   2HD1  LEU  63          2HD1      LEU  63   8.265 -10.645  26.530
  510   3HD1  LEU  63          3HD1      LEU  63   6.747 -11.499  26.903
  511   1HD2  LEU  63          1HD2      LEU  63   7.053  -8.566  27.417
  512   2HD2  LEU  63          2HD2      LEU  63   5.564  -8.027  26.614
  513   3HD2  LEU  63          3HD2      LEU  63   5.546  -9.494  27.610
  514    H    SER  64           H        SER  64   7.108  -8.803  20.953
  515    HA   SER  64           HA       SER  64   4.544 -10.306  20.875
  516   1HB   SER  64          2HB       SER  64   5.787  -8.279  18.977
  517   2HB   SER  64          3HB       SER  64   4.163  -8.976  18.831
  518    HG   SER  64           HG       SER  64   4.310  -6.842  19.803
  519    H    ASP  65           H        ASP  65   4.028 -11.786  19.174
  520    HA   ASP  65           HA       ASP  65   6.151 -12.573  17.279
  521   1HB   ASP  65          2HB       ASP  65   5.780 -14.907  17.796
  522   2HB   ASP  65          3HB       ASP  65   6.417 -14.027  19.174
  523    H    ALA  66           H        ALA  66   5.095 -11.625  15.673
  524    HA   ALA  66           HA       ALA  66   2.457 -12.591  14.780
  525   1HB   ALA  66          1HB       ALA  66   3.087 -10.165  14.700
  526   2HB   ALA  66          2HB       ALA  66   4.333 -10.572  13.491
  527   3HB   ALA  66          3HB       ALA  66   2.615 -10.828  13.131
  528    H    ASP  67           H        ASP  67   2.531 -12.790  12.111
  529    HA   ASP  67           HA       ASP  67   3.858 -15.347  11.817
  530   1HB   ASP  67          2HB       ASP  67   2.134 -13.775   9.860
  531   2HB   ASP  67          3HB       ASP  67   2.610 -15.458   9.683
  532    HA   PRO  68           HA       PRO  68   7.414 -13.946   9.552
  533   1HB   PRO  68          2HB       PRO  68   8.366 -16.267   8.485
  534   2HB   PRO  68          3HB       PRO  68   8.236 -15.996  10.243
  535   1HG   PRO  68          2HG       PRO  68   6.215 -17.391   8.451
  536   2HG   PRO  68          3HG       PRO  68   6.972 -18.020   9.954
  537   1HD   PRO  68          2HD       PRO  68   4.543 -16.809   9.996
  538   2HD   PRO  68          3HD       PRO  68   5.726 -16.547  11.312
  539    H    GLY  69           H        GLY  69   5.207 -13.152   8.264
  540   1HA   GLY  69          2HA       GLY  69   6.121 -12.415   5.701
  541   2HA   GLY  69          3HA       GLY  69   4.959 -13.723   5.457
  542    H    ILE  70           H        ILE  70   4.314 -11.670   8.241
  543    HA   ILE  70           HA       ILE  70   1.747 -11.132   7.210
  544    HB   ILE  70           HB       ILE  70   2.596 -11.528   9.608
  545   1HG1  ILE  70          2HG1      ILE  70   0.548  -9.305   9.319
  546   2HG1  ILE  70          3HG1      ILE  70   0.236 -10.996   8.922
  547   1HG2  ILE  70          1HG2      ILE  70   4.248  -9.606   9.603
  548   2HG2  ILE  70          2HG2      ILE  70   2.849  -8.500   9.686
  549   3HG2  ILE  70          3HG2      ILE  70   3.168  -9.641  10.996
  550   1HD1  ILE  70          1HD1      ILE  70   0.898 -11.646  11.259
  551   2HD1  ILE  70          2HD1      ILE  70   1.046  -9.916  11.649
  552   3HD1  ILE  70          3HD1      ILE  70  -0.518 -10.591  11.205
  553    H    VAL  71           H        VAL  71   4.632  -9.334   6.889
  554    HA   VAL  71           HA       VAL  71   3.412  -6.738   6.222
  555    HB   VAL  71           HB       VAL  71   6.155  -7.931   5.792
  556   1HG1  VAL  71          1HG1      VAL  71   5.855  -6.202   4.118
  557   2HG1  VAL  71          2HG1      VAL  71   5.240  -5.062   5.345
  558   3HG1  VAL  71          3HG1      VAL  71   6.936  -5.598   5.366
  559   1HG2  VAL  71          1HG2      VAL  71   5.227  -5.832   7.802
  560   2HG2  VAL  71          2HG2      VAL  71   5.664  -7.512   8.196
  561   3HG2  VAL  71          3HG2      VAL  71   6.901  -6.397   7.609
  562    H    ASP  72           H        ASP  72   5.200  -9.355   4.476
  563    HA   ASP  72           HA       ASP  72   4.915  -8.526   1.889
  564   1HB   ASP  72          2HB       ASP  72   4.738 -11.430   2.793
  565   2HB   ASP  72          3HB       ASP  72   5.404 -10.808   1.287
  566    H    GLU  73           H        GLU  73   2.596 -10.584   3.706
  567    HA   GLU  73           HA       GLU  73   0.669 -10.787   1.595
  568   1HB   GLU  73          2HB       GLU  73  -0.802 -11.660   3.221
  569   2HB   GLU  73          3HB       GLU  73   0.828 -12.203   3.682
  570   1HG   GLU  73          2HG       GLU  73   0.958 -10.582   5.407
  571   2HG   GLU  73          3HG       GLU  73  -0.605  -9.903   5.015
  572    H    ALA  74           H        ALA  74   1.275  -8.199   3.939
  573    HA   ALA  74           HA       ALA  74  -1.266  -6.829   3.374
  574   1HB   ALA  74          1HB       ALA  74  -0.438  -5.060   4.750
  575   2HB   ALA  74          2HB       ALA  74   0.046  -6.572   5.544
  576   3HB   ALA  74          3HB       ALA  74   1.233  -5.610   4.625
  577    H    VAL  75           H        VAL  75   2.146  -6.566   2.236
  578    HA   VAL  75           HA       VAL  75   1.531  -4.320   0.529
  579    HB   VAL  75           HB       VAL  75   3.853  -6.122  -0.118
  580   1HG1  VAL  75          1HG1      VAL  75   3.190  -4.002  -1.419
  581   2HG1  VAL  75          2HG1      VAL  75   3.532  -3.100   0.055
  582   3HG1  VAL  75          3HG1      VAL  75   4.840  -3.982  -0.758
  583   1HG2  VAL  75          1HG2      VAL  75   3.620  -4.338   2.334
  584   2HG2  VAL  75          2HG2      VAL  75   4.323  -5.968   2.174
  585   3HG2  VAL  75          3HG2      VAL  75   5.183  -4.596   1.515
  586    H    ASP  76           H        ASP  76   1.733  -7.888  -0.182
  587    HA   ASP  76           HA       ASP  76   0.892  -7.739  -2.888
  588   1HB   ASP  76          2HB       ASP  76   1.648  -9.818  -1.860
  589   2HB   ASP  76          3HB       ASP  76   0.249  -9.827  -0.778
  590    H    ALA  77           H        ALA  77  -1.147  -7.667   0.127
  591    HA   ALA  77           HA       ALA  77  -3.613  -7.537  -1.299
  592   1HB   ALA  77          1HB       ALA  77  -3.418  -8.033   1.100
  593   2HB   ALA  77          2HB       ALA  77  -2.916  -6.360   1.422
  594   3HB   ALA  77          3HB       ALA  77  -4.540  -6.689   0.786
  595    H    ALA  78           H        ALA  78  -1.331  -4.890  -0.352
  596    HA   ALA  78           HA       ALA  78  -2.957  -2.796  -1.482
  597   1HB   ALA  78          1HB       ALA  78  -1.255  -2.277   0.074
  598   2HB   ALA  78          2HB       ALA  78   0.041  -2.946  -0.949
  599   3HB   ALA  78          3HB       ALA  78  -0.828  -1.493  -1.453
  600    H    TYR  79           H        TYR  79  -0.284  -4.765  -2.959
  601    HA   TYR  79           HA       TYR  79  -0.403  -3.496  -5.516
  602   1HB   TYR  79          2HB       TYR  79   0.366  -6.323  -4.677
  603   2HB   TYR  79          3HB       TYR  79   0.516  -5.739  -6.322
  604    HD1  TYR  79           HD1      TYR  79   1.772  -3.404  -6.589
  605    HD2  TYR  79           HD2      TYR  79   2.362  -6.195  -3.334
  606    HE1  TYR  79           HE1      TYR  79   4.037  -2.450  -6.179
  607    HE2  TYR  79           HE2      TYR  79   4.644  -5.270  -2.981
  608    HH   TYR  79           HH       TYR  79   6.129  -3.494  -3.502
  609    H    ARG  80           H        ARG  80  -2.239  -6.351  -4.292
  610    HA   ARG  80           HA       ARG  80  -3.787  -6.607  -6.733
  611   1HB   ARG  80          2HB       ARG  80  -4.166  -7.744  -3.924
  612   2HB   ARG  80          3HB       ARG  80  -5.198  -8.132  -5.315
  613   1HG   ARG  80          2HG       ARG  80  -3.107  -8.788  -6.586
  614   2HG   ARG  80          3HG       ARG  80  -2.190  -8.662  -5.092
  615   1HD   ARG  80          2HD       ARG  80  -3.025 -10.594  -4.230
  616   2HD   ARG  80          3HD       ARG  80  -4.647 -10.336  -4.865
  617    HE   ARG  80           HE       ARG  80  -2.484 -11.809  -6.102
  618   1HH1  ARG  80          1HH2      ARG  80  -5.347  -9.949  -6.894
  619   2HH1  ARG  80          2HH2      ARG  80  -5.544 -10.666  -8.468
  620   1HH2  ARG  80          1HH1      ARG  80  -2.783 -12.735  -8.156
  621   2HH2  ARG  80          2HH1      ARG  80  -4.114 -12.227  -9.154
  622    H    SER  81           H        SER  81  -4.396  -4.815  -3.709
  623    HA   SER  81           HA       SER  81  -7.019  -3.898  -4.388
  624   1HB   SER  81          2HB       SER  81  -6.031  -3.622  -2.156
  625   2HB   SER  81          3HB       SER  81  -4.805  -2.520  -2.817
  626    HG   SER  81           HG       SER  81  -6.497  -1.324  -1.946
  627    H    LEU  82           H        LEU  82  -3.752  -2.507  -5.180
  628    HA   LEU  82           HA       LEU  82  -4.742  -0.322  -6.688
  629   1HB   LEU  82          2HB       LEU  82  -2.427  -0.510  -5.906
  630   2HB   LEU  82          3HB       LEU  82  -2.151  -1.895  -6.950
  631    HG   LEU  82           HG       LEU  82  -2.377  -0.517  -8.952
  632   1HD1  LEU  82          1HD1      LEU  82  -4.015   1.169  -8.231
  633   2HD1  LEU  82          2HD1      LEU  82  -2.859   1.836  -7.065
  634   3HD1  LEU  82          3HD1      LEU  82  -2.543   1.954  -8.806
  635   1HD2  LEU  82          1HD2      LEU  82  -0.536   0.762  -6.888
  636   2HD2  LEU  82          2HD2      LEU  82  -0.180  -0.696  -7.844
  637   3HD2  LEU  82          3HD2      LEU  82  -0.373   0.865  -8.656
  638    H    GLU  83           H        GLU  83  -3.806  -3.648  -7.902
  639    HA   GLU  83           HA       GLU  83  -4.628  -3.047 -10.588
  640   1HB   GLU  83          2HB       GLU  83  -4.532  -5.703  -9.100
  641   2HB   GLU  83          3HB       GLU  83  -4.800  -5.549 -10.835
  642   1HG   GLU  83          2HG       GLU  83  -2.295  -4.572  -9.391
  643   2HG   GLU  83          3HG       GLU  83  -2.451  -6.117 -10.211
  644    H    SER  84           H        SER  84  -6.549  -4.473  -7.866
  645    HA   SER  84           HA       SER  84  -8.964  -4.682  -9.385
  646   1HB   SER  84          2HB       SER  84  -8.593  -5.871  -7.255
  647   2HB   SER  84          3HB       SER  84  -8.632  -4.318  -6.388
  648    HG   SER  84           HG       SER  84 -10.752  -4.154  -7.721
  649    H    PHE  85           H        PHE  85  -7.455  -1.882  -7.930
  650    HA   PHE  85           HA       PHE  85  -9.814  -0.175  -8.077
  651   1HB   PHE  85          2HB       PHE  85  -8.127   0.169  -6.398
  652   2HB   PHE  85          3HB       PHE  85  -6.856   0.292  -7.591
  653    HD1  PHE  85           HD1      PHE  85  -6.249   2.360  -8.532
  654    HD2  PHE  85           HD2      PHE  85  -9.934   1.985  -6.345
  655    HE1  PHE  85           HE1      PHE  85  -6.367   4.829  -8.333
  656    HE2  PHE  85           HE2      PHE  85 -10.047   4.466  -6.111
  657    HZ   PHE  85           HZ       PHE  85  -8.237   5.884  -7.058
  658    H    LEU  86           H        LEU  86  -6.866  -0.714 -10.153
  659    HA   LEU  86           HA       LEU  86  -7.874   1.086 -12.204
  660   1HB   LEU  86          2HB       LEU  86  -5.821  -1.148 -12.320
  661   2HB   LEU  86          3HB       LEU  86  -6.405  -0.315 -13.747
  662    HG   LEU  86           HG       LEU  86  -4.387   0.727 -13.256
  663   1HD1  LEU  86          1HD1      LEU  86  -6.285   2.358 -13.688
  664   2HD1  LEU  86          2HD1      LEU  86  -6.332   2.654 -11.940
  665   3HD1  LEU  86          3HD1      LEU  86  -4.868   3.034 -12.847
  666   1HD2  LEU  86          1HD2      LEU  86  -5.226   1.143 -10.369
  667   2HD2  LEU  86          2HD2      LEU  86  -4.046  -0.051 -10.956
  668   3HD2  LEU  86          3HD2      LEU  86  -3.710   1.681 -11.116
  669    H    ASP  87           H        ASP  87  -8.468  -2.398 -11.554
  670    HA   ASP  87           HA       ASP  87 -10.147  -2.816 -13.805
  671   1HB   ASP  87          2HB       ASP  87 -10.430  -3.937 -10.998
  672   2HB   ASP  87          3HB       ASP  87 -11.293  -4.519 -12.413
  673    H    GLY  88           H        GLY  88 -10.680  -0.565 -11.198
  674   1HA   GLY  88          2HA       GLY  88 -13.550  -0.231 -11.934
  675   2HA   GLY  88          3HA       GLY  88 -12.711   0.495 -10.559
  676    H    PHE  89           H        PHE  89 -10.709   0.754 -13.268
  677    HA   PHE  89           HA       PHE  89 -11.813   3.391 -14.125
  678   1HB   PHE  89          2HB       PHE  89  -9.141   2.746 -12.876
  679   2HB   PHE  89          3HB       PHE  89  -9.189   3.984 -14.101
  680    HD1  PHE  89           HD1      PHE  89  -8.620   3.973 -10.917
  681    HD2  PHE  89           HD2      PHE  89 -11.732   5.432 -13.534
  682    HE1  PHE  89           HE1      PHE  89  -9.061   5.870  -9.384
  683    HE2  PHE  89           HE2      PHE  89 -12.177   7.294 -11.979
  684    HZ   PHE  89           HZ       PHE  89 -10.834   7.520  -9.892
  685    H    ARG  90           H        ARG  90 -10.171   0.491 -15.130
  686    HA   ARG  90           HA       ARG  90  -9.701   1.699 -17.839
  687   1HB   ARG  90          2HB       ARG  90  -8.113  -0.417 -16.325
  688   2HB   ARG  90          3HB       ARG  90  -7.828   0.068 -18.004
  689   1HG   ARG  90          2HG       ARG  90  -7.458   2.424 -17.235
  690   2HG   ARG  90          3HG       ARG  90  -7.599   1.873 -15.556
  691   1HD   ARG  90          2HD       ARG  90  -5.689   0.360 -15.852
  692   2HD   ARG  90          3HD       ARG  90  -5.562   0.786 -17.556
  693    HE   ARG  90           HE       ARG  90  -4.603   2.303 -15.267
  694   1HH1  ARG  90          1HH2      ARG  90  -5.569   2.650 -18.615
  695   2HH1  ARG  90          2HH2      ARG  90  -4.623   4.092 -18.865
  696   1HH2  ARG  90          1HH1      ARG  90  -3.404   4.170 -15.621
  697   2HH2  ARG  90          2HH1      ARG  90  -3.422   4.931 -17.183
  698    H    GLU  91           H        GLU  91 -11.060  -1.121 -16.205
  699    HA   GLU  91           HA       GLU  91 -11.835  -2.290 -18.832
  700   1HB   GLU  91          2HB       GLU  91 -11.182  -3.805 -16.959
  701   2HB   GLU  91          3HB       GLU  91 -12.569  -3.223 -16.022
  702   1HG   GLU  91          2HG       GLU  91 -14.125  -4.079 -17.715
  703   2HG   GLU  91          3HG       GLU  91 -12.796  -4.456 -18.808
  Start of MODEL   26
    1    H    MET   1           H1       MET   1 -16.678   9.098  -5.594
    2    HA   MET   1           HA       MET   1 -14.375   9.637  -5.525
    3   1HB   MET   1          2HB       MET   1 -14.060   6.632  -5.162
    4   2HB   MET   1          3HB       MET   1 -12.748   7.662  -5.744
    5   1HG   MET   1          2HG       MET   1 -12.514   7.347  -3.367
    6   2HG   MET   1          3HG       MET   1 -12.847   9.038  -3.731
    7   1HE   MET   1          1HE       MET   1 -12.935   7.837  -0.807
    8   2HE   MET   1          2HE       MET   1 -13.288   9.537  -1.198
    9   3HE   MET   1          3HE       MET   1 -14.410   8.606  -0.180
   10    H    SER   2           H        SER   2 -12.976   9.547  -7.477
   11    HA   SER   2           HA       SER   2 -14.044   8.235  -9.883
   12   1HB   SER   2          2HB       SER   2 -14.542  10.387 -11.004
   13   2HB   SER   2          3HB       SER   2 -15.593  10.184  -9.582
   14    HG   SER   2           HG       SER   2 -13.083  11.332  -9.281
   15    H    LEU   3           H        LEU   3 -12.242   7.770 -11.069
   16    HA   LEU   3           HA       LEU   3  -9.637   8.823 -10.532
   17   1HB   LEU   3          2HB       LEU   3 -10.710   7.270 -12.927
   18   2HB   LEU   3          3HB       LEU   3  -9.008   7.501 -12.556
   19    HG   LEU   3           HG       LEU   3 -10.992   6.011 -10.777
   20   1HD1  LEU   3          1HD1      LEU   3 -10.517   4.851 -12.862
   21   2HD1  LEU   3          2HD1      LEU   3  -8.776   4.965 -12.572
   22   3HD1  LEU   3          3HD1      LEU   3  -9.780   3.993 -11.488
   23   1HD2  LEU   3          1HD2      LEU   3  -8.980   5.217  -9.590
   24   2HD2  LEU   3          2HD2      LEU   3  -7.969   6.316 -10.549
   25   3HD2  LEU   3          3HD2      LEU   3  -9.179   6.962  -9.413
   26    H    ARG   4           H        ARG   4  -8.205   9.833 -12.167
   27    HA   ARG   4           HA       ARG   4  -9.438  11.928 -13.846
   28   1HB   ARG   4          2HB       ARG   4  -8.553  12.262 -11.024
   29   2HB   ARG   4          3HB       ARG   4  -7.757  13.396 -12.100
   30   1HG   ARG   4          2HG       ARG   4  -9.927  14.180 -12.955
   31   2HG   ARG   4          3HG       ARG   4 -10.758  13.000 -11.928
   32   1HD   ARG   4          2HD       ARG   4  -9.652  14.098  -9.912
   33   2HD   ARG   4          3HD       ARG   4  -9.001  15.320 -11.000
   34    HE   ARG   4           HE       ARG   4 -11.057  16.362 -11.037
   35   1HH1  ARG   4          1HH2      ARG   4 -11.571  13.099  -9.917
   36   2HH1  ARG   4          2HH2      ARG   4 -13.294  13.284  -9.697
   37   1HH2  ARG   4          1HH1      ARG   4 -13.287  16.627 -10.677
   38   2HH2  ARG   4          2HH1      ARG   4 -14.211  15.297 -10.037
   39    H    LYS   5           H        LYS   5  -7.683  13.550 -14.434
   40    HA   LYS   5           HA       LYS   5  -5.466  12.449 -15.884
   41   1HB   LYS   5          2HB       LYS   5  -6.116  15.225 -14.795
   42   2HB   LYS   5          3HB       LYS   5  -4.695  14.899 -15.769
   43   1HG   LYS   5          2HG       LYS   5  -7.466  14.190 -16.805
   44   2HG   LYS   5          3HG       LYS   5  -6.890  15.850 -16.875
   45   1HD   LYS   5          2HD       LYS   5  -5.372  13.513 -18.107
   46   2HD   LYS   5          3HD       LYS   5  -6.543  14.520 -18.977
   47   1HE   LYS   5          2HE       LYS   5  -5.209  16.551 -18.420
   48   2HE   LYS   5          3HE       LYS   5  -4.002  15.535 -17.623
   49   1HZ   LYS   5          1HZ       LYS   5  -3.611  14.438 -19.742
   50   2HZ   LYS   5          2HZ       LYS   5  -4.736  15.380 -20.486
   51   3HZ   LYS   5          3HZ       LYS   5  -3.363  16.056 -19.887
   52    H    LEU   6           H        LEU   6  -3.831  11.390 -14.884
   53    HA   LEU   6           HA       LEU   6  -3.362  11.704 -12.074
   54   1HB   LEU   6          2HB       LEU   6  -1.874  10.168 -14.239
   55   2HB   LEU   6          3HB       LEU   6  -1.474  10.099 -12.531
   56    HG   LEU   6           HG       LEU   6  -4.116   9.210 -13.758
   57   1HD1  LEU   6          1HD1      LEU   6  -2.184   7.716 -14.203
   58   2HD1  LEU   6          2HD1      LEU   6  -1.879   7.603 -12.455
   59   3HD1  LEU   6          3HD1      LEU   6  -3.386   6.965 -13.144
   60   1HD2  LEU   6          1HD2      LEU   6  -3.174   9.265 -10.858
   61   2HD2  LEU   6          2HD2      LEU   6  -4.644   9.995 -11.552
   62   3HD2  LEU   6          3HD2      LEU   6  -4.503   8.243 -11.433
   63    H    THR   7           H        THR   7  -2.153  13.096 -11.009
   64    HA   THR   7           HA       THR   7   0.403  14.079 -12.047
   65    HB   THR   7           HB       THR   7  -1.288  15.585 -13.051
   66    HG1  THR   7           1HG      THR   7  -0.250  17.460 -12.351
   67   1HG2  THR   7          1HG2      THR   7  -3.036  15.608 -11.325
   68   2HG2  THR   7          2HG2      THR   7  -1.940  16.431 -10.195
   69   3HG2  THR   7          3HG2      THR   7  -2.468  17.242 -11.682
   70    H    GLU   8           H        GLU   8   0.819  16.044 -10.273
   71    HA   GLU   8           HA       GLU   8   1.766  14.808  -7.912
   72   1HB   GLU   8          2HB       GLU   8   1.407  17.746  -8.618
   73   2HB   GLU   8          3HB       GLU   8   2.447  17.121  -7.331
   74   1HG   GLU   8          2HG       GLU   8   3.834  15.927  -8.968
   75   2HG   GLU   8          3HG       GLU   8   2.817  16.501 -10.292
   76    H    GLY   9           H        GLY   9  -1.208  14.647  -8.106
   77   1HA   GLY   9          2HA       GLY   9  -1.790  15.232  -5.275
   78   2HA   GLY   9          3HA       GLY   9  -2.898  15.932  -6.482
   79    H    ASP  10           H        ASP  10  -3.402  14.122  -8.354
   80    HA   ASP  10           HA       ASP  10  -4.841  12.019  -7.202
   81   1HB   ASP  10          2HB       ASP  10  -3.688  12.155 -10.006
   82   2HB   ASP  10          3HB       ASP  10  -5.137  11.277  -9.496
   83    H    LEU  11           H        LEU  11  -1.465  11.969  -8.478
   84    HA   LEU  11           HA       LEU  11  -1.099   9.105  -8.051
   85   1HB   LEU  11          2HB       LEU  11   0.894  11.398  -8.295
   86   2HB   LEU  11          3HB       LEU  11   1.327   9.695  -8.272
   87    HG   LEU  11           HG       LEU  11  -0.435  10.972 -10.418
   88   1HD1  LEU  11          1HD1      LEU  11   1.874  11.852 -10.470
   89   2HD1  LEU  11          2HD1      LEU  11   2.509  10.192 -10.509
   90   3HD1  LEU  11          3HD1      LEU  11   1.541  10.814 -11.865
   91   1HD2  LEU  11          1HD2      LEU  11   0.870   8.235 -10.213
   92   2HD2  LEU  11          2HD2      LEU  11  -0.869   8.575 -10.256
   93   3HD2  LEU  11          3HD2      LEU  11   0.150   8.865 -11.682
   94    H    ASP  12           H        ASP  12  -0.679  12.017  -6.048
   95    HA   ASP  12           HA       ASP  12   0.644  10.710  -3.839
   96   1HB   ASP  12          2HB       ASP  12   0.669  13.163  -4.237
   97   2HB   ASP  12          3HB       ASP  12  -1.053  13.238  -3.873
   98    H    GLU  13           H        GLU  13  -2.826  11.520  -4.512
   99    HA   GLU  13           HA       GLU  13  -3.901  10.183  -2.288
  100   1HB   GLU  13          2HB       GLU  13  -5.158  11.734  -3.744
  101   2HB   GLU  13          3HB       GLU  13  -5.176  10.509  -5.016
  102   1HG   GLU  13          2HG       GLU  13  -7.296  10.481  -3.892
  103   2HG   GLU  13          3HG       GLU  13  -6.473   8.986  -3.511
  104    H    ILE  14           H        ILE  14  -3.011   8.766  -5.500
  105    HA   ILE  14           HA       ILE  14  -3.918   6.111  -4.816
  106    HB   ILE  14           HB       ILE  14  -1.838   7.149  -6.746
  107   1HG1  ILE  14          2HG1      ILE  14  -4.516   5.757  -7.185
  108   2HG1  ILE  14          3HG1      ILE  14  -4.340   7.503  -7.124
  109   1HG2  ILE  14          1HG2      ILE  14  -1.043   4.911  -6.116
  110   2HG2  ILE  14          2HG2      ILE  14  -2.672   4.238  -6.355
  111   3HG2  ILE  14          3HG2      ILE  14  -1.722   4.846  -7.729
  112   1HD1  ILE  14          1HD1      ILE  14  -2.772   7.387  -9.086
  113   2HD1  ILE  14          2HD1      ILE  14  -3.168   5.655  -9.236
  114   3HD1  ILE  14          3HD1      ILE  14  -4.436   6.871  -9.422
  115    H    SER  15           H        SER  15  -0.756   7.765  -4.214
  116    HA   SER  15           HA       SER  15   0.425   5.537  -2.859
  117   1HB   SER  15          2HB       SER  15   2.092   6.961  -2.151
  118   2HB   SER  15          3HB       SER  15   1.535   7.734  -3.637
  119    HG   SER  15           HG       SER  15   0.163   9.084  -2.162
  120    H    SER  16           H        SER  16  -1.739   8.098  -1.660
  121    HA   SER  16           HA       SER  16  -1.785   7.335   1.097
  122   1HB   SER  16          2HB       SER  16  -2.803   9.315   1.055
  123   2HB   SER  16          3HB       SER  16  -3.128   9.208  -0.666
  124    HG   SER  16           HG       SER  16  -5.172   9.067  -0.139
  125    H    PHE  17           H        PHE  17  -3.926   6.380  -1.640
  126    HA   PHE  17           HA       PHE  17  -5.598   4.601  -0.202
  127   1HB   PHE  17          2HB       PHE  17  -6.214   5.282  -2.394
  128   2HB   PHE  17          3HB       PHE  17  -4.680   4.795  -3.081
  129    HD1  PHE  17           HD1      PHE  17  -7.696   3.307  -1.396
  130    HD2  PHE  17           HD2      PHE  17  -4.483   2.753  -4.223
  131    HE1  PHE  17           HE1      PHE  17  -8.666   1.125  -2.081
  132    HE2  PHE  17           HE2      PHE  17  -5.456   0.574  -4.899
  133    HZ   PHE  17           HZ       PHE  17  -7.562  -0.229  -3.847
  134    H    LEU  18           H        LEU  18  -2.460   3.940  -1.829
  135    HA   LEU  18           HA       LEU  18  -2.458   1.137  -1.118
  136   1HB   LEU  18          2HB       LEU  18  -0.275   3.065  -1.985
  137   2HB   LEU  18          3HB       LEU  18  -0.011   1.328  -1.795
  138    HG   LEU  18           HG       LEU  18  -2.099   2.511  -3.685
  139   1HD1  LEU  18          1HD1      LEU  18   0.099   3.229  -4.422
  140   2HD1  LEU  18          2HD1      LEU  18   0.731   1.570  -4.282
  141   3HD1  LEU  18          3HD1      LEU  18  -0.505   1.969  -5.497
  142   1HD2  LEU  18          1HD2      LEU  18  -2.170   0.354  -4.691
  143   2HD2  LEU  18          2HD2      LEU  18  -0.906  -0.281  -3.612
  144   3HD2  LEU  18          3HD2      LEU  18  -2.516   0.147  -2.990
  145    H    HIS  19           H        HIS  19  -0.797   3.976   0.398
  146    HA   HIS  19           HA       HIS  19   0.406   2.521   2.520
  147   1HB   HIS  19          2HB       HIS  19   0.991   4.818   1.936
  148   2HB   HIS  19          3HB       HIS  19  -0.623   5.379   2.363
  149    HD1  HIS  19           HD1      HIS  19   0.701   7.074   4.055
  150    HD2  HIS  19           HD2      HIS  19   0.903   2.975   4.939
  151    HE1  HIS  19           HE1      HIS  19   1.503   6.879   6.477
  152    H    ASN  20           H        ASN  20  -2.847   4.146   2.423
  153    HA   ASN  20           HA       ASN  20  -3.655   3.283   5.009
  154   1HB   ASN  20          2HB       ASN  20  -4.800   5.048   3.681
  155   2HB   ASN  20          3HB       ASN  20  -5.390   3.819   2.551
  156   1HD2  ASN  20          2HD2      ASN  20  -7.001   2.294   3.319
  157   2HD2  ASN  20          1HD2      ASN  20  -7.611   2.332   4.957
  158    H    THR  21           H        THR  21  -3.938   1.628   1.812
  159    HA   THR  21           HA       THR  21  -5.501  -0.566   2.724
  160    HB   THR  21           HB       THR  21  -3.433  -0.496   0.488
  161    HG1  THR  21           1HG      THR  21  -5.050   0.977   0.115
  162   1HG2  THR  21          1HG2      THR  21  -3.964  -2.828   0.994
  163   2HG2  THR  21          2HG2      THR  21  -5.705  -2.447   1.056
  164   3HG2  THR  21          3HG2      THR  21  -4.814  -2.325  -0.471
  165    H    ILE  22           H        ILE  22  -1.885  -0.278   2.564
  166    HA   ILE  22           HA       ILE  22  -1.425  -2.859   3.782
  167    HB   ILE  22           HB       ILE  22   0.304  -0.367   3.824
  168   1HG1  ILE  22          2HG1      ILE  22   0.272  -2.748   1.932
  169   2HG1  ILE  22          3HG1      ILE  22  -0.109  -1.068   1.544
  170   1HG2  ILE  22          1HG2      ILE  22   1.287  -3.235   4.174
  171   2HG2  ILE  22          2HG2      ILE  22   2.174  -1.747   4.461
  172   3HG2  ILE  22          3HG2      ILE  22   0.901  -2.203   5.570
  173   1HD1  ILE  22          1HD1      ILE  22   2.315  -0.546   2.354
  174   2HD1  ILE  22          2HD1      ILE  22   2.561  -2.299   2.145
  175   3HD1  ILE  22          3HD1      ILE  22   2.040  -1.304   0.755
  176    H    SER  23           H        SER  23  -1.721   0.457   5.204
  177    HA   SER  23           HA       SER  23  -1.202  -0.276   7.886
  178   1HB   SER  23          2HB       SER  23  -1.301   2.041   6.982
  179   2HB   SER  23          3HB       SER  23  -3.072   1.911   6.901
  180    HG   SER  23           HG       SER  23  -2.342   2.872   8.854
  181    H    ASP  24           H        ASP  24  -4.447  -0.021   6.267
  182    HA   ASP  24           HA       ASP  24  -5.904  -1.099   8.494
  183   1HB   ASP  24          2HB       ASP  24  -6.487  -0.882   5.517
  184   2HB   ASP  24          3HB       ASP  24  -7.582  -1.718   6.610
  185    H    PHE  25           H        PHE  25  -4.321  -2.787   5.655
  186    HA   PHE  25           HA       PHE  25  -5.345  -5.348   6.408
  187   1HB   PHE  25          2HB       PHE  25  -4.209  -4.832   4.234
  188   2HB   PHE  25          3HB       PHE  25  -2.664  -4.798   5.079
  189    HD1  PHE  25           HD1      PHE  25  -5.153  -6.878   3.485
  190    HD2  PHE  25           HD2      PHE  25  -1.928  -6.965   6.348
  191    HE1  PHE  25           HE1      PHE  25  -5.109  -9.358   3.377
  192    HE2  PHE  25           HE2      PHE  25  -1.884  -9.431   6.225
  193    HZ   PHE  25           HZ       PHE  25  -3.500 -10.637   4.778
  194    H    ILE  26           H        ILE  26  -2.288  -3.670   7.446
  195    HA   ILE  26           HA       ILE  26  -1.354  -5.773   9.105
  196    HB   ILE  26           HB       ILE  26  -0.910  -2.776   8.935
  197   1HG1  ILE  26          2HG1      ILE  26   0.862  -5.217   8.401
  198   2HG1  ILE  26          3HG1      ILE  26   0.027  -4.276   7.173
  199   1HG2  ILE  26          1HG2      ILE  26  -0.648  -3.410  11.327
  200   2HG2  ILE  26          2HG2      ILE  26   0.558  -4.626  10.835
  201   3HG2  ILE  26          3HG2      ILE  26   0.845  -2.889  10.580
  202   1HD1  ILE  26          1HD1      ILE  26   1.377  -2.253   7.907
  203   2HD1  ILE  26          2HD1      ILE  26   2.347  -3.360   8.907
  204   3HD1  ILE  26          3HD1      ILE  26   2.302  -3.574   7.155
  205    H    LEU  27           H        LEU  27  -3.340  -2.842   9.978
  206    HA   LEU  27           HA       LEU  27  -3.761  -3.671  12.675
  207   1HB   LEU  27          2HB       LEU  27  -5.049  -1.715  10.782
  208   2HB   LEU  27          3HB       LEU  27  -5.943  -2.163  12.224
  209    HG   LEU  27           HG       LEU  27  -4.171  -1.437  13.694
  210   1HD1  LEU  27          1HD1      LEU  27  -2.144  -1.866  12.379
  211   2HD1  LEU  27          2HD1      LEU  27  -2.608  -0.600  11.217
  212   3HD1  LEU  27          3HD1      LEU  27  -2.202  -0.178  12.890
  213   1HD2  LEU  27          1HD2      LEU  27  -4.798   0.654  11.570
  214   2HD2  LEU  27          2HD2      LEU  27  -5.858   0.196  12.921
  215   3HD2  LEU  27          3HD2      LEU  27  -4.301   0.979  13.245
  216    H    LYS  28           H        LYS  28  -5.495  -4.696   9.753
  217    HA   LYS  28           HA       LYS  28  -7.515  -6.202  11.244
  218   1HB   LYS  28          2HB       LYS  28  -6.658  -6.091   8.327
  219   2HB   LYS  28          3HB       LYS  28  -7.908  -7.192   8.901
  220   1HG   LYS  28          2HG       LYS  28  -9.364  -5.431   9.567
  221   2HG   LYS  28          3HG       LYS  28  -8.109  -4.208   9.444
  222   1HD   LYS  28          2HD       LYS  28  -9.667  -4.054   7.548
  223   2HD   LYS  28          3HD       LYS  28  -8.026  -4.405   7.023
  224   1HE   LYS  28          2HE       LYS  28  -9.572  -5.731   5.724
  225   2HE   LYS  28          3HE       LYS  28  -8.575  -6.787   6.731
  226   1HZ   LYS  28          1HZ       LYS  28 -10.418  -6.917   8.297
  227   2HZ   LYS  28          2HZ       LYS  28 -11.345  -5.944   7.351
  228   3HZ   LYS  28          3HZ       LYS  28 -10.899  -7.435   6.810
  229    H    ARG  29           H        ARG  29  -4.207  -6.883  10.626
  230    HA   ARG  29           HA       ARG  29  -4.708  -9.807  11.090
  231   1HB   ARG  29          2HB       ARG  29  -3.268  -8.422   8.992
  232   2HB   ARG  29          3HB       ARG  29  -2.118  -9.345   9.903
  233   1HG   ARG  29          2HG       ARG  29  -4.689 -10.430   8.690
  234   2HG   ARG  29          3HG       ARG  29  -3.104 -10.541   7.934
  235   1HD   ARG  29          2HD       ARG  29  -3.181 -11.613  10.694
  236   2HD   ARG  29          3HD       ARG  29  -4.273 -12.443   9.583
  237    HE   ARG  29           HE       ARG  29  -2.047 -12.519   8.069
  238   1HH1  ARG  29          1HH2      ARG  29  -2.155 -12.999  11.572
  239   2HH1  ARG  29          2HH2      ARG  29  -0.765 -14.059  11.531
  240   1HH2  ARG  29          1HH1      ARG  29  -0.387 -14.062   8.121
  241   2HH2  ARG  29          2HH1      ARG  29  -0.145 -14.956   9.662
  242    H    VAL  30           H        VAL  30  -2.823  -7.067  12.237
  243    HA   VAL  30           HA       VAL  30  -2.022  -8.564  14.659
  244    HB   VAL  30           HB       VAL  30  -0.161  -8.969  13.266
  245   1HG1  VAL  30          1HG1      VAL  30  -0.441  -7.461  11.415
  246   2HG1  VAL  30          2HG1      VAL  30  -0.211  -6.050  12.458
  247   3HG1  VAL  30          3HG1      VAL  30   1.145  -7.150  12.117
  248   1HG2  VAL  30          1HG2      VAL  30   0.574  -6.607  15.024
  249   2HG2  VAL  30          2HG2      VAL  30   0.495  -8.323  15.488
  250   3HG2  VAL  30          3HG2      VAL  30   1.698  -7.773  14.317
  251    H    SER  31           H        SER  31  -1.749  -7.185  16.492
  252    HA   SER  31           HA       SER  31  -3.456  -4.851  16.198
  253   1HB   SER  31          2HB       SER  31  -3.626  -6.481  18.078
  254   2HB   SER  31          3HB       SER  31  -2.078  -5.887  18.701
  255    HG   SER  31           HG       SER  31  -4.568  -4.651  18.609
  256    H    ALA  32           H        ALA  32  -3.018  -2.726  16.260
  257    HA   ALA  32           HA       ALA  32  -0.500  -1.493  16.292
  258   1HB   ALA  32          1HB       ALA  32  -2.596  -0.375  15.650
  259   2HB   ALA  32          2HB       ALA  32  -3.167  -0.449  17.337
  260   3HB   ALA  32          3HB       ALA  32  -1.749   0.536  16.911
  261    H    LYS  33           H        LYS  33  -2.232  -2.964  18.987
  262    HA   LYS  33           HA       LYS  33  -0.692  -1.603  21.084
  263   1HB   LYS  33          2HB       LYS  33  -2.574  -3.998  21.224
  264   2HB   LYS  33          3HB       LYS  33  -1.907  -3.101  22.591
  265   1HG   LYS  33          2HG       LYS  33  -3.053  -1.020  21.738
  266   2HG   LYS  33          3HG       LYS  33  -3.795  -1.997  20.463
  267   1HD   LYS  33          2HD       LYS  33  -5.398  -1.714  22.223
  268   2HD   LYS  33          3HD       LYS  33  -4.891  -3.413  22.196
  269   1HE   LYS  33          2HE       LYS  33  -3.327  -2.964  24.085
  270   2HE   LYS  33          3HE       LYS  33  -3.813  -1.264  24.086
  271   1HZ   LYS  33          1HZ       LYS  33  -6.061  -1.980  24.633
  272   2HZ   LYS  33          2HZ       LYS  33  -5.603  -3.560  24.625
  273   3HZ   LYS  33          3HZ       LYS  33  -4.999  -2.536  25.761
  274    H    GLU  34           H        GLU  34   0.038  -4.284  19.049
  275    HA   GLU  34           HA       GLU  34   2.194  -5.130  20.965
  276   1HB   GLU  34          2HB       GLU  34   2.214  -7.297  19.910
  277   2HB   GLU  34          3HB       GLU  34   0.599  -6.930  20.517
  278   1HG   GLU  34          2HG       GLU  34   0.004  -6.202  18.188
  279   2HG   GLU  34          3HG       GLU  34   1.537  -6.849  17.613
  280    H    ILE  35           H        ILE  35   1.583  -3.295  18.302
  281    HA   ILE  35           HA       ILE  35   4.203  -3.633  16.968
  282    HB   ILE  35           HB       ILE  35   1.632  -2.138  16.385
  283   1HG1  ILE  35          2HG1      ILE  35   3.151  -4.255  14.794
  284   2HG1  ILE  35          3HG1      ILE  35   1.860  -4.638  15.917
  285   1HG2  ILE  35          1HG2      ILE  35   3.438  -0.632  15.674
  286   2HG2  ILE  35          2HG2      ILE  35   4.204  -1.963  14.768
  287   3HG2  ILE  35          3HG2      ILE  35   2.622  -1.308  14.288
  288   1HD1  ILE  35          1HD1      ILE  35   0.283  -3.212  14.589
  289   2HD1  ILE  35          2HD1      ILE  35   1.564  -3.014  13.367
  290   3HD1  ILE  35          3HD1      ILE  35   0.927  -4.619  13.728
  291    H    VAL  36           H        VAL  36   5.846  -2.329  17.351
  292    HA   VAL  36           HA       VAL  36   5.714  -0.024  19.202
  293    HB   VAL  36           HB       VAL  36   7.899  -1.435  17.626
  294   1HG1  VAL  36          1HG1      VAL  36   8.515   0.888  17.377
  295   2HG1  VAL  36          2HG1      VAL  36   8.191   1.211  19.099
  296   3HG1  VAL  36          3HG1      VAL  36   9.542   0.157  18.613
  297   1HG2  VAL  36          1HG2      VAL  36   7.630  -0.782  20.591
  298   2HG2  VAL  36          2HG2      VAL  36   7.099  -2.299  19.848
  299   3HG2  VAL  36          3HG2      VAL  36   8.817  -1.864  19.822
  300    H    ASP  37           H        ASP  37   6.334  -0.636  15.688
  301    HA   ASP  37           HA       ASP  37   4.865   1.724  14.966
  302   1HB   ASP  37          2HB       ASP  37   7.356   2.460  15.741
  303   2HB   ASP  37          3HB       ASP  37   7.741   2.000  14.094
  304    H    ILE  38           H        ILE  38   5.287   2.246  12.521
  305    HA   ILE  38           HA       ILE  38   6.093  -0.111  10.914
  306    HB   ILE  38           HB       ILE  38   4.139   0.296   9.353
  307   1HG1  ILE  38          2HG1      ILE  38   2.864   1.635  11.783
  308   2HG1  ILE  38          3HG1      ILE  38   3.292   2.426  10.264
  309   1HG2  ILE  38          1HG2      ILE  38   4.412  -1.687  10.751
  310   2HG2  ILE  38          2HG2      ILE  38   3.492  -0.913  12.060
  311   3HG2  ILE  38          3HG2      ILE  38   2.718  -1.299  10.501
  312   1HD1  ILE  38          1HD1      ILE  38   1.679   0.889   9.076
  313   2HD1  ILE  38          2HD1      ILE  38   1.133   0.329  10.676
  314   3HD1  ILE  38          3HD1      ILE  38   0.943   2.026  10.221
  315    H    ASP  39           H        ASP  39   7.190   0.379   9.137
  316    HA   ASP  39           HA       ASP  39   7.316   3.253   8.229
  317   1HB   ASP  39          2HB       ASP  39   9.317   0.982   7.997
  318   2HB   ASP  39          3HB       ASP  39   9.333   2.349   6.896
  319    H    ILE  40           H        ILE  40   6.118   3.581   6.399
  320    HA   ILE  40           HA       ILE  40   5.994   1.383   4.403
  321    HB   ILE  40           HB       ILE  40   3.601   2.962   5.390
  322   1HG1  ILE  40          2HG1      ILE  40   3.978  -0.033   4.995
  323   2HG1  ILE  40          3HG1      ILE  40   4.349   0.748   6.539
  324   1HG2  ILE  40          1HG2      ILE  40   3.517   2.951   2.933
  325   2HG2  ILE  40          2HG2      ILE  40   3.973   1.227   2.893
  326   3HG2  ILE  40          3HG2      ILE  40   2.388   1.733   3.503
  327   1HD1  ILE  40          1HD1      ILE  40   2.011   1.471   6.754
  328   2HD1  ILE  40          2HD1      ILE  40   1.631   0.616   5.237
  329   3HD1  ILE  40          3HD1      ILE  40   2.212  -0.297   6.637
  330    H    THR  41           H        THR  41   6.799   1.967   2.623
  331    HA   THR  41           HA       THR  41   6.782   4.832   1.750
  332    HB   THR  41           HB       THR  41   8.939   2.719   1.354
  333    HG1  THR  41           1HG      THR  41  10.126   4.121   2.615
  334   1HG2  THR  41          1HG2      THR  41   8.815   4.135  -0.646
  335   2HG2  THR  41          2HG2      THR  41   8.766   5.603   0.359
  336   3HG2  THR  41          3HG2      THR  41  10.228   4.592   0.311
  337    H    VAL  42           H        VAL  42   5.466   5.063   0.072
  338    HA   VAL  42           HA       VAL  42   5.281   2.902  -1.988
  339    HB   VAL  42           HB       VAL  42   3.155   4.943  -1.214
  340   1HG1  VAL  42          1HG1      VAL  42   3.119   4.537  -3.630
  341   2HG1  VAL  42          2HG1      VAL  42   3.203   2.781  -3.372
  342   3HG1  VAL  42          3HG1      VAL  42   1.769   3.698  -2.872
  343   1HG2  VAL  42          1HG2      VAL  42   3.183   1.903  -0.931
  344   2HG2  VAL  42          2HG2      VAL  42   3.264   3.073   0.402
  345   3HG2  VAL  42          3HG2      VAL  42   1.805   2.974  -0.583
  346    H    LEU  43           H        LEU  43   6.115   3.464  -3.891
  347    HA   LEU  43           HA       LEU  43   6.576   6.366  -4.492
  348   1HB   LEU  43          2HB       LEU  43   8.289   4.000  -5.300
  349   2HB   LEU  43          3HB       LEU  43   8.574   5.674  -5.751
  350    HG   LEU  43           HG       LEU  43   8.633   4.609  -2.898
  351   1HD1  LEU  43          1HD1      LEU  43  10.464   3.689  -4.257
  352   2HD1  LEU  43          2HD1      LEU  43  10.929   5.330  -4.762
  353   3HD1  LEU  43          3HD1      LEU  43  11.073   4.840  -3.057
  354   1HD2  LEU  43          1HD2      LEU  43   9.471   7.314  -4.030
  355   2HD2  LEU  43          2HD2      LEU  43   8.098   7.006  -2.939
  356   3HD2  LEU  43          3HD2      LEU  43   9.748   6.761  -2.363
  357    H    VAL  44           H        VAL  44   6.015   7.062  -6.466
  358    HA   VAL  44           HA       VAL  44   4.867   5.178  -8.448
  359    HB   VAL  44           HB       VAL  44   3.373   7.637  -7.430
  360   1HG1  VAL  44          1HG1      VAL  44   2.886   7.212  -9.759
  361   2HG1  VAL  44          2HG1      VAL  44   2.690   5.477  -9.472
  362   3HG1  VAL  44          3HG1      VAL  44   1.512   6.622  -8.804
  363   1HG2  VAL  44          1HG2      VAL  44   2.775   4.694  -6.908
  364   2HG2  VAL  44          2HG2      VAL  44   3.206   5.923  -5.700
  365   3HG2  VAL  44          3HG2      VAL  44   1.673   6.047  -6.556
  366    H    GLU  45           H        GLU  45   5.317   5.778 -10.515
  367    HA   GLU  45           HA       GLU  45   6.151   8.557 -11.137
  368   1HB   GLU  45          2HB       GLU  45   8.137   6.966 -10.434
  369   2HB   GLU  45          3HB       GLU  45   7.853   6.201 -11.997
  370   1HG   GLU  45          2HG       GLU  45   8.110   8.599 -12.993
  371   2HG   GLU  45          3HG       GLU  45   8.709   9.059 -11.405
  372    H    TYR  46           H        TYR  46   6.255   8.925 -13.495
  373    HA   TYR  46           HA       TYR  46   5.156   6.794 -15.186
  374   1HB   TYR  46          2HB       TYR  46   3.267   8.373 -14.499
  375   2HB   TYR  46          3HB       TYR  46   4.045   9.592 -15.510
  376    HD1  TYR  46           HD1      TYR  46   1.797   6.807 -15.446
  377    HD2  TYR  46           HD2      TYR  46   4.640   8.824 -17.984
  378    HE1  TYR  46           HE1      TYR  46   1.035   5.450 -17.393
  379    HE2  TYR  46           HE2      TYR  46   3.946   7.399 -19.891
  380    HH   TYR  46           HH       TYR  46   3.025   5.308 -20.320
  381    H    THR  47           H        THR  47   6.845   6.388 -16.398
  382    HA   THR  47           HA       THR  47   8.222   8.590 -17.871
  383    HB   THR  47           HB       THR  47   9.659   6.390 -16.343
  384    HG1  THR  47           1HG      THR  47   9.933   7.911 -14.912
  385   1HG2  THR  47          1HG2      THR  47  10.836   6.784 -18.489
  386   2HG2  THR  47          2HG2      THR  47  10.736   8.543 -18.232
  387   3HG2  THR  47          3HG2      THR  47  11.726   7.532 -17.157
  388    H    ASP  48           H        ASP  48   6.805   7.996 -19.504
  389    HA   ASP  48           HA       ASP  48   5.974   7.004 -21.322
  390   1HB   ASP  48          2HB       ASP  48   8.408   6.689 -21.913
  391   2HB   ASP  48          3HB       ASP  48   8.258   5.021 -21.349
  392    H    GLU  49           H        GLU  49   7.069   4.574 -18.976
  393    HA   GLU  49           HA       GLU  49   4.446   3.168 -19.133
  394   1HB   GLU  49          2HB       GLU  49   5.480   1.407 -17.835
  395   2HB   GLU  49          3HB       GLU  49   6.423   1.713 -19.290
  396   1HG   GLU  49          2HG       GLU  49   8.152   2.854 -18.015
  397   2HG   GLU  49          3HG       GLU  49   7.160   2.864 -16.557
  398    H    LEU  50           H        LEU  50   3.410   2.626 -17.093
  399    HA   LEU  50           HA       LEU  50   3.586   4.718 -14.988
  400   1HB   LEU  50          2HB       LEU  50   1.327   4.020 -15.707
  401   2HB   LEU  50          3HB       LEU  50   1.748   2.327 -15.490
  402    HG   LEU  50           HG       LEU  50   1.946   2.692 -13.027
  403   1HD1  LEU  50          1HD1      LEU  50   2.463   5.118 -12.987
  404   2HD1  LEU  50          2HD1      LEU  50   0.840   5.471 -13.627
  405   3HD1  LEU  50          3HD1      LEU  50   1.037   4.742 -12.020
  406   1HD2  LEU  50          1HD2      LEU  50  -0.708   3.553 -14.244
  407   2HD2  LEU  50          2HD2      LEU  50  -0.145   1.877 -14.020
  408   3HD2  LEU  50          3HD2      LEU  50  -0.459   2.897 -12.610
  409    H    LYS  51           H        LYS  51   4.935   4.349 -13.272
  410    HA   LYS  51           HA       LYS  51   5.676   1.517 -12.662
  411   1HB   LYS  51          2HB       LYS  51   7.502   2.764 -13.794
  412   2HB   LYS  51          3HB       LYS  51   7.436   3.993 -12.533
  413   1HG   LYS  51          2HG       LYS  51   9.300   2.532 -12.096
  414   2HG   LYS  51          3HG       LYS  51   8.090   2.282 -10.841
  415   1HD   LYS  51          2HD       LYS  51   7.311   0.209 -12.129
  416   2HD   LYS  51          3HD       LYS  51   8.618   0.505 -13.273
  417   1HE   LYS  51          2HE       LYS  51   9.283  -1.207 -11.700
  418   2HE   LYS  51          3HE       LYS  51  10.274   0.239 -11.442
  419   1HZ   LYS  51          1HZ       LYS  51   8.979   0.778  -9.493
  420   2HZ   LYS  51          2HZ       LYS  51   7.876  -0.396  -9.757
  421   3HZ   LYS  51          3HZ       LYS  51   9.421  -0.702  -9.287
  422    H    VAL  52           H        VAL  52   5.581   0.873 -10.618
  423    HA   VAL  52           HA       VAL  52   5.171   2.808  -8.418
  424    HB   VAL  52           HB       VAL  52   3.423   0.361  -8.934
  425   1HG1  VAL  52          1HG1      VAL  52   3.771   0.548  -6.523
  426   2HG1  VAL  52          2HG1      VAL  52   3.436   2.293  -6.572
  427   3HG1  VAL  52          3HG1      VAL  52   2.153   1.116  -6.905
  428   1HG2  VAL  52          1HG2      VAL  52   2.768   3.330  -8.883
  429   2HG2  VAL  52          2HG2      VAL  52   2.703   2.266 -10.303
  430   3HG2  VAL  52          3HG2      VAL  52   1.561   2.039  -8.978
  431    H    ASP  53           H        ASP  53   6.040   2.156  -6.486
  432    HA   ASP  53           HA       ASP  53   7.069  -0.612  -6.173
  433   1HB   ASP  53          2HB       ASP  53   8.698   1.881  -5.524
  434   2HB   ASP  53          3HB       ASP  53   9.112   0.234  -5.062
  435    H    ILE  54           H        ILE  54   6.939  -1.354  -4.066
  436    HA   ILE  54           HA       ILE  54   5.715   0.418  -2.010
  437    HB   ILE  54           HB       ILE  54   4.765  -2.359  -2.845
  438   1HG1  ILE  54          2HG1      ILE  54   3.435   0.388  -2.937
  439   2HG1  ILE  54          3HG1      ILE  54   3.889  -0.619  -4.312
  440   1HG2  ILE  54          1HG2      ILE  54   4.776  -2.139  -0.378
  441   2HG2  ILE  54          2HG2      ILE  54   3.847  -0.629  -0.513
  442   3HG2  ILE  54          3HG2      ILE  54   3.147  -2.197  -1.007
  443   1HD1  ILE  54          1HD1      ILE  54   2.212  -2.340  -3.528
  444   2HD1  ILE  54          2HD1      ILE  54   1.649  -1.143  -2.330
  445   3HD1  ILE  54          3HD1      ILE  54   1.534  -0.792  -4.067
  446    H    SER  55           H        SER  55   6.842   0.329  -0.176
  447    HA   SER  55           HA       SER  55   8.045  -2.276   0.630
  448   1HB   SER  55          2HB       SER  55   9.409   0.435   0.763
  449   2HB   SER  55          3HB       SER  55   9.960  -1.018   1.637
  450    HG   SER  55           HG       SER  55   9.371  -1.470  -1.003
  451    H    ALA  56           H        ALA  56   7.466  -2.883   2.631
  452    HA   ALA  56           HA       ALA  56   6.582  -0.824   4.549
  453   1HB   ALA  56          1HB       ALA  56   4.532  -1.799   3.575
  454   2HB   ALA  56          2HB       ALA  56   5.092  -3.426   4.023
  455   3HB   ALA  56          3HB       ALA  56   4.710  -2.228   5.284
  456    H    GLU  57           H        GLU  57   7.251  -1.197   6.607
  457    HA   GLU  57           HA       GLU  57   8.420  -3.828   7.310
  458   1HB   GLU  57          2HB       GLU  57  10.312  -2.379   6.660
  459   2HB   GLU  57          3HB       GLU  57   9.790  -1.160   7.819
  460   1HG   GLU  57          2HG       GLU  57  11.672  -2.450   8.686
  461   2HG   GLU  57          3HG       GLU  57  10.249  -2.675   9.692
  462    H    LEU  58           H        LEU  58   8.285  -4.362   9.448
  463    HA   LEU  58           HA       LEU  58   6.148  -2.908  10.966
  464   1HB   LEU  58          2HB       LEU  58   5.216  -4.642   9.534
  465   2HB   LEU  58          3HB       LEU  58   6.406  -5.809  10.117
  466    HG   LEU  58           HG       LEU  58   5.383  -5.704  12.371
  467   1HD1  LEU  58          1HD1      LEU  58   4.299  -3.539  12.397
  468   2HD1  LEU  58          2HD1      LEU  58   3.301  -3.979  10.986
  469   3HD1  LEU  58          3HD1      LEU  58   3.062  -4.799  12.536
  470   1HD2  LEU  58          1HD2      LEU  58   3.449  -6.403  10.139
  471   2HD2  LEU  58          2HD2      LEU  58   4.778  -7.436  10.723
  472   3HD2  LEU  58          3HD2      LEU  58   3.436  -7.046  11.802
  473    H    TYR  59           H        TYR  59   7.058  -2.248  12.835
  474    HA   TYR  59           HA       TYR  59   9.122  -3.957  14.114
  475   1HB   TYR  59          2HB       TYR  59   8.253  -1.142  14.826
  476   2HB   TYR  59          3HB       TYR  59   9.665  -2.004  15.405
  477    HD1  TYR  59           HD1      TYR  59   8.298   0.119  12.793
  478    HD2  TYR  59           HD2      TYR  59  11.536  -2.580  13.704
  479    HE1  TYR  59           HE1      TYR  59   9.617   1.126  11.000
  480    HE2  TYR  59           HE2      TYR  59  12.871  -1.564  11.851
  481    HH   TYR  59           HH       TYR  59  11.610   1.233   9.900
  482    H    LEU  60           H        LEU  60   8.233  -5.505  15.357
  483    HA   LEU  60           HA       LEU  60   5.838  -5.096  17.012
  484   1HB   LEU  60          2HB       LEU  60   7.749  -7.413  16.556
  485   2HB   LEU  60          3HB       LEU  60   6.632  -7.436  17.894
  486    HG   LEU  60           HG       LEU  60   5.842  -8.745  15.998
  487   1HD1  LEU  60          1HD1      LEU  60   4.260  -7.705  17.626
  488   2HD1  LEU  60          2HD1      LEU  60   4.049  -6.339  16.520
  489   3HD1  LEU  60          3HD1      LEU  60   3.546  -7.964  16.028
  490   1HD2  LEU  60          1HD2      LEU  60   5.465  -6.117  14.532
  491   2HD2  LEU  60          2HD2      LEU  60   6.706  -7.330  14.132
  492   3HD2  LEU  60          3HD2      LEU  60   4.985  -7.730  13.969
  493    H    ASP  61           H        ASP  61   5.785  -5.250  19.260
  494    HA   ASP  61           HA       ASP  61   7.934  -4.103  20.823
  495   1HB   ASP  61          2HB       ASP  61   6.048  -3.829  22.026
  496   2HB   ASP  61          3HB       ASP  61   5.213  -5.158  21.237
  497    H    GLU  62           H        GLU  62   9.350  -5.095  22.311
  498    HA   GLU  62           HA       GLU  62  10.682  -7.400  21.243
  499   1HB   GLU  62          2HB       GLU  62  12.280  -7.060  23.045
  500   2HB   GLU  62          3HB       GLU  62  11.892  -5.546  22.234
  501   1HG   GLU  62          2HG       GLU  62  10.371  -4.927  24.108
  502   2HG   GLU  62          3HG       GLU  62  10.760  -6.448  24.920
  503    H    LEU  63           H        LEU  63   7.957  -7.352  23.213
  504    HA   LEU  63           HA       LEU  63   8.487 -10.125  24.194
  505   1HB   LEU  63          2HB       LEU  63   6.466  -8.047  25.094
  506   2HB   LEU  63          3HB       LEU  63   6.680  -9.640  25.813
  507    HG   LEU  63           HG       LEU  63   8.776  -7.413  25.848
  508   1HD1  LEU  63          1HD1      LEU  63   6.818  -6.875  27.208
  509   2HD1  LEU  63          2HD1      LEU  63   6.938  -8.444  28.041
  510   3HD1  LEU  63          3HD1      LEU  63   8.225  -7.225  28.225
  511   1HD2  LEU  63          1HD2      LEU  63   8.711 -10.123  27.253
  512   2HD2  LEU  63          2HD2      LEU  63   9.830  -9.635  25.957
  513   3HD2  LEU  63          3HD2      LEU  63   9.911  -8.836  27.528
  514    H    SER  64           H        SER  64   7.249  -8.810  21.502
  515    HA   SER  64           HA       SER  64   4.864 -10.629  21.347
  516   1HB   SER  64          2HB       SER  64   5.255  -7.832  20.204
  517   2HB   SER  64          3HB       SER  64   3.848  -8.879  19.941
  518    HG   SER  64           HG       SER  64   4.755  -7.595  22.361
  519    H    ASP  65           H        ASP  65   4.444 -11.710  19.396
  520    HA   ASP  65           HA       ASP  65   6.420 -11.528  17.212
  521   1HB   ASP  65          2HB       ASP  65   6.835 -13.910  17.378
  522   2HB   ASP  65          3HB       ASP  65   7.354 -13.052  18.818
  523    H    ALA  66           H        ALA  66   4.908 -10.775  15.870
  524    HA   ALA  66           HA       ALA  66   2.564 -12.265  15.010
  525   1HB   ALA  66          1HB       ALA  66   2.813  -9.816  14.767
  526   2HB   ALA  66          2HB       ALA  66   4.153 -10.064  13.618
  527   3HB   ALA  66          3HB       ALA  66   2.506 -10.596  13.211
  528    H    ASP  67           H        ASP  67   2.485 -12.746  12.434
  529    HA   ASP  67           HA       ASP  67   4.108 -15.039  12.200
  530   1HB   ASP  67          2HB       ASP  67   2.404 -13.763  10.024
  531   2HB   ASP  67          3HB       ASP  67   2.899 -15.433  10.116
  532    HA   PRO  68           HA       PRO  68   7.424 -13.566   9.504
  533   1HB   PRO  68          2HB       PRO  68   8.479 -15.925   8.645
  534   2HB   PRO  68          3HB       PRO  68   8.515 -15.433  10.360
  535   1HG   PRO  68          2HG       PRO  68   6.463 -17.222   9.009
  536   2HG   PRO  68          3HG       PRO  68   7.426 -17.573  10.484
  537   1HD   PRO  68          2HD       PRO  68   4.906 -16.573  10.628
  538   2HD   PRO  68          3HD       PRO  68   6.172 -16.047  11.775
  539    H    GLY  69           H        GLY  69   5.208 -12.911   8.358
  540   1HA   GLY  69          2HA       GLY  69   5.607 -12.954   5.530
  541   2HA   GLY  69          3HA       GLY  69   4.377 -14.157   5.924
  542    H    ILE  70           H        ILE  70   3.650 -12.111   8.287
  543    HA   ILE  70           HA       ILE  70   1.311 -11.217   7.184
  544    HB   ILE  70           HB       ILE  70   2.189 -11.570   9.569
  545   1HG1  ILE  70          2HG1      ILE  70   0.304  -9.220   9.329
  546   2HG1  ILE  70          3HG1      ILE  70  -0.149 -10.863   8.844
  547   1HG2  ILE  70          1HG2      ILE  70   3.967  -9.817   9.489
  548   2HG2  ILE  70          2HG2      ILE  70   2.681  -8.578   9.471
  549   3HG2  ILE  70          3HG2      ILE  70   2.879  -9.652  10.862
  550   1HD1  ILE  70          1HD1      ILE  70   0.544 -11.706  11.105
  551   2HD1  ILE  70          2HD1      ILE  70   0.820 -10.032  11.606
  552   3HD1  ILE  70          3HD1      ILE  70  -0.808 -10.571  11.171
  553    H    VAL  71           H        VAL  71   4.355  -9.581   6.956
  554    HA   VAL  71           HA       VAL  71   3.358  -6.969   6.088
  555    HB   VAL  71           HB       VAL  71   6.014  -8.394   5.906
  556   1HG1  VAL  71          1HG1      VAL  71   6.020  -6.781   4.110
  557   2HG1  VAL  71          2HG1      VAL  71   5.394  -5.505   5.190
  558   3HG1  VAL  71          3HG1      VAL  71   7.032  -6.159   5.411
  559   1HG2  VAL  71          1HG2      VAL  71   5.072  -6.127   7.713
  560   2HG2  VAL  71          2HG2      VAL  71   5.379  -7.803   8.220
  561   3HG2  VAL  71          3HG2      VAL  71   6.723  -6.786   7.687
  562    H    ASP  72           H        ASP  72   4.863  -9.803   4.464
  563    HA   ASP  72           HA       ASP  72   4.559  -8.939   1.775
  564   1HB   ASP  72          2HB       ASP  72   5.988 -10.830   2.630
  565   2HB   ASP  72          3HB       ASP  72   4.523 -11.794   2.829
  566    H    GLU  73           H        GLU  73   2.325 -10.702   3.958
  567    HA   GLU  73           HA       GLU  73   0.149 -11.001   2.122
  568   1HB   GLU  73          2HB       GLU  73   0.116 -10.431   5.121
  569   2HB   GLU  73          3HB       GLU  73  -1.287 -10.893   4.167
  570   1HG   GLU  73          2HG       GLU  73  -0.485 -13.100   3.819
  571   2HG   GLU  73          3HG       GLU  73   1.100 -12.709   4.486
  572    H    ALA  74           H        ALA  74   1.116  -8.162   4.187
  573    HA   ALA  74           HA       ALA  74  -1.275  -6.649   3.482
  574   1HB   ALA  74          1HB       ALA  74  -0.222  -4.842   4.659
  575   2HB   ALA  74          2HB       ALA  74   0.178  -6.317   5.564
  576   3HB   ALA  74          3HB       ALA  74   1.388  -5.561   4.501
  577    H    VAL  75           H        VAL  75   2.062  -6.750   2.316
  578    HA   VAL  75           HA       VAL  75   1.862  -4.571   0.454
  579    HB   VAL  75           HB       VAL  75   3.805  -6.865   0.863
  580   1HG1  VAL  75          1HG1      VAL  75   4.017  -6.388  -1.476
  581   2HG1  VAL  75          2HG1      VAL  75   3.988  -4.626  -1.186
  582   3HG1  VAL  75          3HG1      VAL  75   5.367  -5.614  -0.647
  583   1HG2  VAL  75          1HG2      VAL  75   4.094  -3.847   1.245
  584   2HG2  VAL  75          2HG2      VAL  75   3.681  -4.965   2.550
  585   3HG2  VAL  75          3HG2      VAL  75   5.247  -5.105   1.737
  586    H    ASP  76           H        ASP  76   1.768  -8.184  -0.191
  587    HA   ASP  76           HA       ASP  76   0.904  -7.922  -2.855
  588   1HB   ASP  76          2HB       ASP  76   1.666 -10.034  -1.710
  589   2HB   ASP  76          3HB       ASP  76   0.042 -10.163  -1.021
  590    H    ALA  77           H        ALA  77  -1.113  -7.836   0.170
  591    HA   ALA  77           HA       ALA  77  -3.606  -7.738  -1.232
  592   1HB   ALA  77          1HB       ALA  77  -3.473  -8.197   1.163
  593   2HB   ALA  77          2HB       ALA  77  -2.868  -6.556   1.478
  594   3HB   ALA  77          3HB       ALA  77  -4.515  -6.797   0.859
  595    H    ALA  78           H        ALA  78  -1.344  -5.071  -0.340
  596    HA   ALA  78           HA       ALA  78  -2.945  -2.987  -1.528
  597   1HB   ALA  78          1HB       ALA  78  -1.138  -2.545   0.049
  598   2HB   ALA  78          2HB       ALA  78   0.074  -3.127  -1.115
  599   3HB   ALA  78          3HB       ALA  78  -0.883  -1.675  -1.470
  600    H    TYR  79           H        TYR  79  -0.436  -5.192  -2.922
  601    HA   TYR  79           HA       TYR  79  -0.584  -4.064  -5.554
  602   1HB   TYR  79          2HB       TYR  79   0.260  -6.799  -4.554
  603   2HB   TYR  79          3HB       TYR  79   0.228  -6.396  -6.251
  604    HD1  TYR  79           HD1      TYR  79   1.369  -4.170  -6.963
  605    HD2  TYR  79           HD2      TYR  79   2.346  -6.387  -3.368
  606    HE1  TYR  79           HE1      TYR  79   3.616  -3.125  -6.955
  607    HE2  TYR  79           HE2      TYR  79   4.647  -5.369  -3.433
  608    HH   TYR  79           HH       TYR  79   5.658  -3.072  -5.957
  609    H    ARG  80           H        ARG  80  -2.526  -6.806  -4.152
  610    HA   ARG  80           HA       ARG  80  -4.101  -7.135  -6.568
  611   1HB   ARG  80          2HB       ARG  80  -4.970  -7.767  -3.717
  612   2HB   ARG  80          3HB       ARG  80  -5.677  -8.393  -5.205
  613   1HG   ARG  80          2HG       ARG  80  -2.983  -9.054  -4.012
  614   2HG   ARG  80          3HG       ARG  80  -4.336 -10.136  -4.234
  615   1HD   ARG  80          2HD       ARG  80  -3.928 -10.395  -6.532
  616   2HD   ARG  80          3HD       ARG  80  -3.097  -8.847  -6.661
  617    HE   ARG  80           HE       ARG  80  -1.577 -10.539  -4.939
  618   1HH1  ARG  80          1HH2      ARG  80  -2.290  -9.839  -8.389
  619   2HH1  ARG  80          2HH2      ARG  80  -0.707 -10.296  -8.896
  620   1HH2  ARG  80          1HH1      ARG  80   0.485 -10.854  -5.646
  621   2HH2  ARG  80          2HH1      ARG  80   0.843 -10.993  -7.367
  622    H    SER  81           H        SER  81  -4.456  -4.985  -3.825
  623    HA   SER  81           HA       SER  81  -6.991  -3.878  -4.616
  624   1HB   SER  81          2HB       SER  81  -4.751  -2.551  -3.042
  625   2HB   SER  81          3HB       SER  81  -6.449  -2.052  -3.115
  626    HG   SER  81           HG       SER  81  -5.344  -4.437  -2.004
  627    H    LEU  82           H        LEU  82  -3.590  -2.886  -5.397
  628    HA   LEU  82           HA       LEU  82  -4.324  -0.762  -7.147
  629   1HB   LEU  82          2HB       LEU  82  -2.063  -1.259  -6.073
  630   2HB   LEU  82          3HB       LEU  82  -1.842  -2.529  -7.250
  631    HG   LEU  82           HG       LEU  82  -1.893  -0.899  -9.090
  632   1HD1  LEU  82          1HD1      LEU  82  -3.354   0.865  -8.254
  633   2HD1  LEU  82          2HD1      LEU  82  -2.264   1.194  -6.895
  634   3HD1  LEU  82          3HD1      LEU  82  -1.764   1.560  -8.559
  635   1HD2  LEU  82          1HD2      LEU  82  -0.001  -0.104  -6.843
  636   2HD2  LEU  82          2HD2      LEU  82   0.230  -1.464  -7.963
  637   3HD2  LEU  82          3HD2      LEU  82   0.235   0.191  -8.583
  638    H    GLU  83           H        GLU  83  -3.518  -4.177  -7.838
  639    HA   GLU  83           HA       GLU  83  -3.825  -4.226 -10.643
  640   1HB   GLU  83          2HB       GLU  83  -2.787  -5.915  -9.158
  641   2HB   GLU  83          3HB       GLU  83  -4.380  -6.337  -8.526
  642   1HG   GLU  83          2HG       GLU  83  -5.014  -7.336 -10.630
  643   2HG   GLU  83          3HG       GLU  83  -3.561  -6.698 -11.423
  644    H    SER  84           H        SER  84  -6.251  -4.388  -8.065
  645    HA   SER  84           HA       SER  84  -8.538  -4.682  -9.861
  646   1HB   SER  84          2HB       SER  84  -8.481  -3.629  -7.001
  647   2HB   SER  84          3HB       SER  84  -9.872  -4.254  -7.895
  648    HG   SER  84           HG       SER  84  -7.563  -5.687  -6.989
  649    H    PHE  85           H        PHE  85  -7.025  -1.897  -8.107
  650    HA   PHE  85           HA       PHE  85  -8.905   0.054  -8.695
  651   1HB   PHE  85          2HB       PHE  85  -7.018   0.144  -7.077
  652   2HB   PHE  85          3HB       PHE  85  -5.892   0.343  -8.407
  653    HD1  PHE  85           HD1      PHE  85  -7.986   1.993  -6.020
  654    HD2  PHE  85           HD2      PHE  85  -6.123   2.474  -9.879
  655    HE1  PHE  85           HE1      PHE  85  -8.010   4.453  -5.721
  656    HE2  PHE  85           HE2      PHE  85  -6.106   4.934  -9.554
  657    HZ   PHE  85           HZ       PHE  85  -7.058   5.929  -7.483
  658    H    LEU  86           H        LEU  86  -6.053  -0.787 -10.759
  659    HA   LEU  86           HA       LEU  86  -6.604   1.262 -12.690
  660   1HB   LEU  86          2HB       LEU  86  -5.011  -1.319 -12.914
  661   2HB   LEU  86          3HB       LEU  86  -5.234  -0.209 -14.238
  662    HG   LEU  86           HG       LEU  86  -3.125   0.300 -13.439
  663   1HD1  LEU  86          1HD1      LEU  86  -4.513   2.345 -13.819
  664   2HD1  LEU  86          2HD1      LEU  86  -4.827   2.414 -12.064
  665   3HD1  LEU  86          3HD1      LEU  86  -3.181   2.593 -12.682
  666   1HD2  LEU  86          1HD2      LEU  86  -4.162   0.554 -10.600
  667   2HD2  LEU  86          2HD2      LEU  86  -3.217  -0.807 -11.253
  668   3HD2  LEU  86          3HD2      LEU  86  -2.497   0.807 -11.152
  669    H    ASP  87           H        ASP  87  -8.616  -1.420 -12.105
  670    HA   ASP  87           HA       ASP  87  -9.611  -2.083 -14.660
  671   1HB   ASP  87          2HB       ASP  87 -10.454  -3.064 -12.602
  672   2HB   ASP  87          3HB       ASP  87 -11.023  -1.489 -12.030
  673    H    GLY  88           H        GLY  88 -10.201   0.876 -12.685
  674   1HA   GLY  88          2HA       GLY  88 -11.988   2.058 -14.643
  675   2HA   GLY  88          3HA       GLY  88 -11.309   2.843 -13.221
  676    H    PHE  89           H        PHE  89  -8.778   1.557 -15.059
  677    HA   PHE  89           HA       PHE  89  -8.412   4.007 -16.739
  678   1HB   PHE  89          2HB       PHE  89  -6.543   2.609 -14.822
  679   2HB   PHE  89          3HB       PHE  89  -5.877   3.443 -16.208
  680    HD1  PHE  89           HD1      PHE  89  -6.237   3.860 -12.869
  681    HD2  PHE  89           HD2      PHE  89  -7.131   5.926 -16.546
  682    HE1  PHE  89           HE1      PHE  89  -5.938   6.044 -11.724
  683    HE2  PHE  89           HE2      PHE  89  -6.926   8.106 -15.368
  684    HZ   PHE  89           HZ       PHE  89  -6.323   8.166 -12.969
  685    H    ARG  90           H        ARG  90  -8.852   0.687 -16.875
  686    HA   ARG  90           HA       ARG  90  -7.724   0.616 -19.635
  687   1HB   ARG  90          2HB       ARG  90  -7.128  -1.539 -17.549
  688   2HB   ARG  90          3HB       ARG  90  -6.899  -1.707 -19.280
  689   1HG   ARG  90          2HG       ARG  90  -4.780  -1.198 -18.727
  690   2HG   ARG  90          3HG       ARG  90  -5.363   0.437 -19.048
  691   1HD   ARG  90          2HD       ARG  90  -5.703   0.774 -16.605
  692   2HD   ARG  90          3HD       ARG  90  -5.250  -0.896 -16.303
  693    HE   ARG  90           HE       ARG  90  -3.488   1.363 -17.030
  694   1HH1  ARG  90          1HH2      ARG  90  -3.647  -2.099 -16.498
  695   2HH1  ARG  90          2HH2      ARG  90  -1.925  -2.266 -16.297
  696   1HH2  ARG  90          1HH1      ARG  90  -1.268   1.102 -16.778
  697   2HH2  ARG  90          2HH1      ARG  90  -0.608  -0.474 -16.464
  698    H    GLU  91           H        GLU  91  -9.795  -0.936 -17.205
  699    HA   GLU  91           HA       GLU  91 -11.464  -2.453 -17.338
  700   1HB   GLU  91          2HB       GLU  91 -12.407  -0.354 -18.504
  701   2HB   GLU  91          3HB       GLU  91 -12.269  -1.263 -20.007
  702   1HG   GLU  91          2HG       GLU  91 -13.755  -3.039 -18.989
  703   2HG   GLU  91          3HG       GLU  91 -13.877  -2.057 -17.533
  Start of MODEL   27
    1    H    MET   1           H1       MET   1 -17.917   6.710 -13.329
    2    HA   MET   1           HA       MET   1 -16.544   7.252 -11.470
    3   1HB   MET   1          2HB       MET   1 -16.054   4.250 -11.496
    4   2HB   MET   1          3HB       MET   1 -14.889   5.365 -10.776
    5   1HG   MET   1          2HG       MET   1 -16.381   4.471  -9.085
    6   2HG   MET   1          3HG       MET   1 -16.497   6.223  -9.216
    7   1HE   MET   1          1HE       MET   1 -18.624   6.192  -7.695
    8   2HE   MET   1          2HE       MET   1 -20.064   5.200  -8.012
    9   3HE   MET   1          3HE       MET   1 -18.529   4.420  -7.576
   10    H    SER   2           H        SER   2 -14.292   7.919 -11.803
   11    HA   SER   2           HA       SER   2 -12.610   6.697 -13.704
   12   1HB   SER   2          2HB       SER   2 -13.959   7.955 -15.371
   13   2HB   SER   2          3HB       SER   2 -13.679   9.457 -14.471
   14    HG   SER   2           HG       SER   2 -11.419   9.258 -14.934
   15    H    LEU   3           H        LEU   3 -10.605   7.231 -13.131
   16    HA   LEU   3           HA       LEU   3  -9.928   9.342 -11.203
   17   1HB   LEU   3          2HB       LEU   3  -7.555   8.542 -11.899
   18   2HB   LEU   3          3HB       LEU   3  -8.568   7.488 -10.940
   19    HG   LEU   3           HG       LEU   3  -9.050   6.047 -12.760
   20   1HD1  LEU   3          1HD1      LEU   3  -9.359   7.516 -14.659
   21   2HD1  LEU   3          2HD1      LEU   3  -7.646   8.009 -14.600
   22   3HD1  LEU   3          3HD1      LEU   3  -8.101   6.345 -15.041
   23   1HD2  LEU   3          1HD2      LEU   3  -6.120   6.761 -12.912
   24   2HD2  LEU   3          2HD2      LEU   3  -6.877   5.775 -11.636
   25   3HD2  LEU   3          3HD2      LEU   3  -6.862   5.198 -13.313
   26    H    ARG   4           H        ARG   4  -7.810  10.683 -12.193
   27    HA   ARG   4           HA       ARG   4  -8.656  11.815 -14.849
   28   1HB   ARG   4          2HB       ARG   4  -7.542  13.239 -12.393
   29   2HB   ARG   4          3HB       ARG   4  -7.865  14.002 -13.951
   30   1HG   ARG   4          2HG       ARG   4 -10.256  13.474 -13.768
   31   2HG   ARG   4          3HG       ARG   4  -9.987  12.680 -12.202
   32   1HD   ARG   4          2HD       ARG   4  -9.198  14.754 -11.214
   33   2HD   ARG   4          3HD       ARG   4  -9.340  15.594 -12.776
   34    HE   ARG   4           HE       ARG   4 -11.855  14.466 -12.220
   35   1HH1  ARG   4          1HH2      ARG   4  -9.832  16.899 -10.732
   36   2HH1  ARG   4          2HH2      ARG   4 -11.180  17.829 -10.133
   37   1HH2  ARG   4          1HH1      ARG   4 -13.573  15.686 -11.443
   38   2HH2  ARG   4          2HH1      ARG   4 -13.268  17.135 -10.534
   39    H    LYS   5           H        LYS   5  -6.484  13.469 -15.209
   40    HA   LYS   5           HA       LYS   5  -4.415  11.752 -16.257
   41   1HB   LYS   5          2HB       LYS   5  -4.572  14.742 -15.656
   42   2HB   LYS   5          3HB       LYS   5  -3.128  13.999 -16.324
   43   1HG   LYS   5          2HG       LYS   5  -5.859  13.878 -17.679
   44   2HG   LYS   5          3HG       LYS   5  -4.619  15.096 -18.009
   45   1HD   LYS   5          2HD       LYS   5  -3.023  13.279 -18.655
   46   2HD   LYS   5          3HD       LYS   5  -4.329  12.091 -18.451
   47   1HE   LYS   5          2HE       LYS   5  -5.679  13.258 -20.156
   48   2HE   LYS   5          3HE       LYS   5  -4.413  14.483 -20.337
   49   1HZ   LYS   5          1HZ       LYS   5  -2.916  12.740 -21.096
   50   2HZ   LYS   5          2HZ       LYS   5  -4.087  11.599 -20.930
   51   3HZ   LYS   5          3HZ       LYS   5  -4.251  12.790 -22.052
   52    H    LEU   6           H        LEU   6  -2.772  10.803 -15.235
   53    HA   LEU   6           HA       LEU   6  -2.690  10.937 -12.373
   54   1HB   LEU   6          2HB       LEU   6  -0.911   9.501 -14.383
   55   2HB   LEU   6          3HB       LEU   6  -0.829   9.305 -12.640
   56    HG   LEU   6           HG       LEU   6  -3.160   8.546 -14.439
   57   1HD1  LEU   6          1HD1      LEU   6  -1.220   6.999 -14.402
   58   2HD1  LEU   6          2HD1      LEU   6  -1.351   6.885 -12.632
   59   3HD1  LEU   6          3HD1      LEU   6  -2.660   6.276 -13.666
   60   1HD2  LEU   6          1HD2      LEU   6  -2.989   8.572 -11.397
   61   2HD2  LEU   6          2HD2      LEU   6  -4.235   9.310 -12.444
   62   3HD2  LEU   6          3HD2      LEU   6  -4.131   7.558 -12.288
   63    H    THR   7           H        THR   7  -1.980  12.613 -11.380
   64    HA   THR   7           HA       THR   7   0.743  13.681 -11.811
   65    HB   THR   7           HB       THR   7  -0.866  14.979 -13.217
   66    HG1  THR   7           1HG      THR   7  -0.057  16.933 -12.511
   67   1HG2  THR   7          1HG2      THR   7  -2.867  14.919 -11.694
   68   2HG2  THR   7          2HG2      THR   7  -2.017  16.024 -10.594
   69   3HG2  THR   7          3HG2      THR   7  -2.424  16.541 -12.240
   70    H    GLU   8           H        GLU   8   0.606  15.720 -10.082
   71    HA   GLU   8           HA       GLU   8   1.008  14.538  -7.518
   72   1HB   GLU   8          2HB       GLU   8   2.151  16.507  -8.769
   73   2HB   GLU   8          3HB       GLU   8   0.872  17.513  -8.096
   74   1HG   GLU   8          2HG       GLU   8   1.617  16.911  -5.806
   75   2HG   GLU   8          3HG       GLU   8   2.758  15.739  -6.470
   76    H    GLY   9           H        GLY   9  -1.710  14.193  -8.295
   77   1HA   GLY   9          2HA       GLY   9  -2.983  14.946  -5.754
   78   2HA   GLY   9          3HA       GLY   9  -3.852  15.415  -7.234
   79    H    ASP  10           H        ASP  10  -3.793  13.433  -8.973
   80    HA   ASP  10           HA       ASP  10  -5.197  11.213  -7.885
   81   1HB   ASP  10          2HB       ASP  10  -3.689  11.595 -10.500
   82   2HB   ASP  10          3HB       ASP  10  -4.610  10.139 -10.119
   83    H    LEU  11           H        LEU  11  -1.693  11.551  -8.692
   84    HA   LEU  11           HA       LEU  11  -1.031   8.815  -7.956
   85   1HB   LEU  11          2HB       LEU  11   0.669  11.332  -8.240
   86   2HB   LEU  11          3HB       LEU  11   1.309   9.739  -7.973
   87    HG   LEU  11           HG       LEU  11  -0.321  10.559 -10.422
   88   1HD1  LEU  11          1HD1      LEU  11   1.939  11.578 -10.326
   89   2HD1  LEU  11          2HD1      LEU  11   2.657   9.963 -10.139
   90   3HD1  LEU  11          3HD1      LEU  11   1.794  10.397 -11.633
   91   1HD2  LEU  11          1HD2      LEU  11   0.981   7.943  -9.612
   92   2HD2  LEU  11          2HD2      LEU  11  -0.690   8.222 -10.128
   93   3HD2  LEU  11          3HD2      LEU  11   0.635   8.322 -11.299
   94    H    ASP  12           H        ASP  12  -1.185  11.901  -6.193
   95    HA   ASP  12           HA       ASP  12   0.094  10.964  -3.782
   96   1HB   ASP  12          2HB       ASP  12  -0.185  13.354  -4.387
   97   2HB   ASP  12          3HB       ASP  12  -1.934  13.198  -4.209
   98    H    GLU  13           H        GLU  13  -3.388  11.241  -4.780
   99    HA   GLU  13           HA       GLU  13  -4.411   9.917  -2.504
  100   1HB   GLU  13          2HB       GLU  13  -5.744  11.284  -4.107
  101   2HB   GLU  13          3HB       GLU  13  -5.645   9.960  -5.270
  102   1HG   GLU  13          2HG       GLU  13  -7.770   9.861  -4.122
  103   2HG   GLU  13          3HG       GLU  13  -6.826   8.464  -3.646
  104    H    ILE  14           H        ILE  14  -3.258   8.497  -5.620
  105    HA   ILE  14           HA       ILE  14  -3.935   5.784  -4.915
  106    HB   ILE  14           HB       ILE  14  -1.896   7.041  -6.755
  107   1HG1  ILE  14          2HG1      ILE  14  -4.261   5.220  -7.355
  108   2HG1  ILE  14          3HG1      ILE  14  -4.445   6.964  -7.212
  109   1HG2  ILE  14          1HG2      ILE  14  -2.305   4.052  -6.312
  110   2HG2  ILE  14          2HG2      ILE  14  -1.428   4.752  -7.690
  111   3HG2  ILE  14          3HG2      ILE  14  -0.803   4.968  -6.065
  112   1HD1  ILE  14          1HD1      ILE  14  -2.838   7.284  -9.092
  113   2HD1  ILE  14          2HD1      ILE  14  -2.787   5.518  -9.313
  114   3HD1  ILE  14          3HD1      ILE  14  -4.307   6.394  -9.541
  115    H    SER  15           H        SER  15  -0.904   7.696  -4.276
  116    HA   SER  15           HA       SER  15   0.374   5.683  -2.744
  117   1HB   SER  15          2HB       SER  15   1.842   7.313  -2.043
  118   2HB   SER  15          3HB       SER  15   1.248   7.987  -3.557
  119    HG   SER  15           HG       SER  15  -0.290   9.234  -2.170
  120    H    SER  16           H        SER  16  -2.053   8.102  -1.692
  121    HA   SER  16           HA       SER  16  -2.138   7.396   1.075
  122   1HB   SER  16          2HB       SER  16  -3.313   9.300   0.893
  123   2HB   SER  16          3HB       SER  16  -3.618   9.060  -0.806
  124    HG   SER  16           HG       SER  16  -5.623   8.771  -0.284
  125    H    PHE  17           H        PHE  17  -4.080   6.171  -1.699
  126    HA   PHE  17           HA       PHE  17  -5.647   4.319  -0.220
  127   1HB   PHE  17          2HB       PHE  17  -6.296   4.976  -2.421
  128   2HB   PHE  17          3HB       PHE  17  -4.749   4.509  -3.108
  129    HD1  PHE  17           HD1      PHE  17  -4.450   2.396  -4.094
  130    HD2  PHE  17           HD2      PHE  17  -7.745   3.033  -1.383
  131    HE1  PHE  17           HE1      PHE  17  -5.350   0.152  -4.656
  132    HE2  PHE  17           HE2      PHE  17  -8.642   0.786  -1.951
  133    HZ   PHE  17           HZ       PHE  17  -7.466  -0.636  -3.611
  134    H    LEU  18           H        LEU  18  -2.480   3.831  -1.867
  135    HA   LEU  18           HA       LEU  18  -2.272   1.036  -1.154
  136   1HB   LEU  18          2HB       LEU  18  -0.199   3.153  -1.868
  137   2HB   LEU  18          3HB       LEU  18   0.187   1.448  -1.654
  138    HG   LEU  18           HG       LEU  18  -1.819   2.460  -3.719
  139   1HD1  LEU  18          1HD1      LEU  18   0.436   3.327  -4.197
  140   2HD1  LEU  18          2HD1      LEU  18   1.110   1.685  -4.065
  141   3HD1  LEU  18          3HD1      LEU  18  -0.036   2.088  -5.368
  142   1HD2  LEU  18          1HD2      LEU  18  -0.451  -0.235  -3.383
  143   2HD2  LEU  18          2HD2      LEU  18  -2.181   0.107  -3.127
  144   3HD2  LEU  18          3HD2      LEU  18  -1.481   0.256  -4.732
  145    H    HIS  19           H        HIS  19  -0.919   4.000   0.424
  146    HA   HIS  19           HA       HIS  19   0.330   2.645   2.579
  147   1HB   HIS  19          2HB       HIS  19   0.704   4.993   1.849
  148   2HB   HIS  19          3HB       HIS  19  -0.880   5.436   2.479
  149    HD1  HIS  19           HD1      HIS  19   0.833   7.193   3.859
  150    HD2  HIS  19           HD2      HIS  19   0.907   3.131   4.917
  151    HE1  HIS  19           HE1      HIS  19   1.957   7.046   6.154
  152    H    ASN  20           H        ASN  20  -3.028   3.997   2.350
  153    HA   ASN  20           HA       ASN  20  -3.900   3.103   4.915
  154   1HB   ASN  20          2HB       ASN  20  -5.249   4.690   3.698
  155   2HB   ASN  20          3HB       ASN  20  -5.357   3.624   2.289
  156   1HD2  ASN  20          2HD2      ASN  20  -6.081   3.469   5.825
  157   2HD2  ASN  20          1HD2      ASN  20  -7.328   2.265   5.637
  158    H    THR  21           H        THR  21  -3.988   1.401   1.723
  159    HA   THR  21           HA       THR  21  -5.439  -0.841   2.608
  160    HB   THR  21           HB       THR  21  -3.320  -0.726   0.421
  161    HG1  THR  21           1HG      THR  21  -4.964   0.732   0.033
  162   1HG2  THR  21          1HG2      THR  21  -3.823  -3.068   0.882
  163   2HG2  THR  21          2HG2      THR  21  -5.569  -2.718   0.945
  164   3HG2  THR  21          3HG2      THR  21  -4.684  -2.580  -0.584
  165    H    ILE  22           H        ILE  22  -1.853  -0.453   2.501
  166    HA   ILE  22           HA       ILE  22  -1.303  -3.022   3.706
  167    HB   ILE  22           HB       ILE  22   0.337  -0.466   3.729
  168   1HG1  ILE  22          2HG1      ILE  22   0.336  -2.819   1.803
  169   2HG1  ILE  22          3HG1      ILE  22  -0.148  -1.162   1.449
  170   1HG2  ILE  22          1HG2      ILE  22   1.046  -2.314   5.418
  171   2HG2  ILE  22          2HG2      ILE  22   1.456  -3.285   3.980
  172   3HG2  ILE  22          3HG2      ILE  22   2.267  -1.762   4.284
  173   1HD1  ILE  22          1HD1      ILE  22   2.291  -0.539   2.178
  174   2HD1  ILE  22          2HD1      ILE  22   2.597  -2.273   1.866
  175   3HD1  ILE  22          3HD1      ILE  22   1.948  -1.231   0.564
  176    H    SER  23           H        SER  23  -1.724   0.265   5.103
  177    HA   SER  23           HA       SER  23  -1.129  -0.408   7.785
  178   1HB   SER  23          2HB       SER  23  -3.059   1.742   6.840
  179   2HB   SER  23          3HB       SER  23  -2.254   1.640   8.419
  180    HG   SER  23           HG       SER  23  -1.134   2.139   5.855
  181    H    ASP  24           H        ASP  24  -4.429  -0.277   6.220
  182    HA   ASP  24           HA       ASP  24  -5.722  -1.485   8.496
  183   1HB   ASP  24          2HB       ASP  24  -6.550  -1.179   5.622
  184   2HB   ASP  24          3HB       ASP  24  -7.445  -2.256   6.695
  185    H    PHE  25           H        PHE  25  -4.128  -3.091   5.605
  186    HA   PHE  25           HA       PHE  25  -5.062  -5.668   6.393
  187   1HB   PHE  25          2HB       PHE  25  -3.931  -5.120   4.239
  188   2HB   PHE  25          3HB       PHE  25  -2.404  -4.984   5.092
  189    HD1  PHE  25           HD1      PHE  25  -1.518  -7.100   6.351
  190    HD2  PHE  25           HD2      PHE  25  -4.692  -7.213   3.431
  191    HE1  PHE  25           HE1      PHE  25  -1.201  -9.541   6.100
  192    HE2  PHE  25           HE2      PHE  25  -4.404  -9.669   3.225
  193    HZ   PHE  25           HZ       PHE  25  -2.682 -10.839   4.590
  194    H    ILE  26           H        ILE  26  -2.072  -3.890   7.430
  195    HA   ILE  26           HA       ILE  26  -1.168  -5.893   9.228
  196    HB   ILE  26           HB       ILE  26  -0.687  -2.909   8.934
  197   1HG1  ILE  26          2HG1      ILE  26   1.046  -5.386   8.425
  198   2HG1  ILE  26          3HG1      ILE  26   0.182  -4.492   7.182
  199   1HG2  ILE  26          1HG2      ILE  26  -0.419  -3.423  11.297
  200   2HG2  ILE  26          2HG2      ILE  26   0.596  -4.835  10.909
  201   3HG2  ILE  26          3HG2      ILE  26   1.153  -3.177  10.570
  202   1HD1  ILE  26          1HD1      ILE  26   1.542  -2.443   7.796
  203   2HD1  ILE  26          2HD1      ILE  26   2.545  -3.510   8.811
  204   3HD1  ILE  26          3HD1      ILE  26   2.442  -3.791   7.069
  205    H    LEU  27           H        LEU  27  -3.205  -2.924   9.913
  206    HA   LEU  27           HA       LEU  27  -3.596  -3.657  12.658
  207   1HB   LEU  27          2HB       LEU  27  -4.835  -1.704  10.744
  208   2HB   LEU  27          3HB       LEU  27  -5.769  -2.129  12.167
  209    HG   LEU  27           HG       LEU  27  -4.008  -1.444  13.671
  210   1HD1  LEU  27          1HD1      LEU  27  -1.967  -1.920  12.404
  211   2HD1  LEU  27          2HD1      LEU  27  -2.387  -0.664  11.216
  212   3HD1  LEU  27          3HD1      LEU  27  -1.999  -0.223  12.892
  213   1HD2  LEU  27          1HD2      LEU  27  -4.555   0.660  11.544
  214   2HD2  LEU  27          2HD2      LEU  27  -5.647   0.222  12.877
  215   3HD2  LEU  27          3HD2      LEU  27  -4.077   0.972  13.226
  216    H    LYS  28           H        LYS  28  -5.176  -4.971   9.829
  217    HA   LYS  28           HA       LYS  28  -7.172  -6.395  11.503
  218   1HB   LYS  28          2HB       LYS  28  -6.654  -6.412   8.511
  219   2HB   LYS  28          3HB       LYS  28  -8.003  -7.230   9.296
  220   1HG   LYS  28          2HG       LYS  28  -7.607  -4.224   9.582
  221   2HG   LYS  28          3HG       LYS  28  -8.395  -4.923   8.174
  222   1HD   LYS  28          2HD       LYS  28 -10.239  -5.676   9.459
  223   2HD   LYS  28          3HD       LYS  28  -9.361  -5.498  10.985
  224   1HE   LYS  28          2HE       LYS  28 -11.053  -3.681  10.564
  225   2HE   LYS  28          3HE       LYS  28  -9.414  -3.130  10.920
  226   1HZ   LYS  28          1HZ       LYS  28  -9.061  -2.662   8.594
  227   2HZ   LYS  28          2HZ       LYS  28 -10.550  -3.260   8.186
  228   3HZ   LYS  28          3HZ       LYS  28 -10.365  -1.880   9.078
  229    H    ARG  29           H        ARG  29  -3.956  -6.883  10.851
  230    HA   ARG  29           HA       ARG  29  -4.217  -9.847  11.362
  231   1HB   ARG  29          2HB       ARG  29  -2.316  -8.206   9.662
  232   2HB   ARG  29          3HB       ARG  29  -1.707  -9.613  10.489
  233   1HG   ARG  29          2HG       ARG  29  -2.305 -10.406   8.371
  234   2HG   ARG  29          3HG       ARG  29  -3.532 -11.000   9.487
  235   1HD   ARG  29          2HD       ARG  29  -4.935  -8.932   8.678
  236   2HD   ARG  29          3HD       ARG  29  -3.741  -8.776   7.423
  237    HE   ARG  29           HE       ARG  29  -4.455 -10.784   6.457
  238   1HH1  ARG  29          1HH2      ARG  29  -6.354 -10.169   9.419
  239   2HH1  ARG  29          2HH2      ARG  29  -7.380 -11.541   9.117
  240   1HH2  ARG  29          1HH1      ARG  29  -5.820 -12.520   6.187
  241   2HH2  ARG  29          2HH1      ARG  29  -7.121 -12.810   7.304
  242    H    VAL  30           H        VAL  30  -2.621  -6.897  12.475
  243    HA   VAL  30           HA       VAL  30  -1.521  -8.287  14.877
  244    HB   VAL  30           HB       VAL  30  -0.008  -6.391  13.014
  245   1HG1  VAL  30          1HG1      VAL  30   0.660  -6.248  15.420
  246   2HG1  VAL  30          2HG1      VAL  30   0.961  -7.994  15.415
  247   3HG1  VAL  30          3HG1      VAL  30   1.933  -6.903  14.391
  248   1HG2  VAL  30          1HG2      VAL  30   0.320  -9.396  13.375
  249   2HG2  VAL  30          2HG2      VAL  30  -0.094  -8.527  11.877
  250   3HG2  VAL  30          3HG2      VAL  30   1.510  -8.343  12.577
  251    H    SER  31           H        SER  31  -1.545  -6.932  16.737
  252    HA   SER  31           HA       SER  31  -3.457  -4.733  16.457
  253   1HB   SER  31          2HB       SER  31  -3.694  -6.254  18.285
  254   2HB   SER  31          3HB       SER  31  -2.085  -5.914  18.890
  255    HG   SER  31           HG       SER  31  -3.800  -4.765  19.938
  256    H    ALA  32           H        ALA  32  -3.168  -2.601  16.496
  257    HA   ALA  32           HA       ALA  32  -0.772  -1.180  16.416
  258   1HB   ALA  32          1HB       ALA  32  -2.968  -0.256  15.821
  259   2HB   ALA  32          2HB       ALA  32  -3.473  -0.310  17.529
  260   3HB   ALA  32          3HB       ALA  32  -2.152   0.768  17.017
  261    H    LYS  33           H        LYS  33  -2.242  -2.689  19.223
  262    HA   LYS  33           HA       LYS  33  -0.656  -1.100  21.152
  263   1HB   LYS  33          2HB       LYS  33  -2.627  -3.383  21.622
  264   2HB   LYS  33          3HB       LYS  33  -1.884  -2.352  22.859
  265   1HG   LYS  33          2HG       LYS  33  -2.940  -0.344  21.762
  266   2HG   LYS  33          3HG       LYS  33  -3.803  -1.448  20.677
  267   1HD   LYS  33          2HD       LYS  33  -4.900  -2.526  22.609
  268   2HD   LYS  33          3HD       LYS  33  -4.013  -1.447  23.717
  269   1HE   LYS  33          2HE       LYS  33  -5.054   0.524  22.621
  270   2HE   LYS  33          3HE       LYS  33  -5.947  -0.547  21.532
  271   1HZ   LYS  33          1HZ       LYS  33  -7.052  -1.487  23.470
  272   2HZ   LYS  33          2HZ       LYS  33  -6.217  -0.495  24.482
  273   3HZ   LYS  33          3HZ       LYS  33  -7.300   0.138  23.416
  274    H    GLU  34           H        GLU  34   0.040  -3.816  19.283
  275    HA   GLU  34           HA       GLU  34   2.254  -4.532  21.179
  276   1HB   GLU  34          2HB       GLU  34   2.356  -6.734  20.187
  277   2HB   GLU  34          3HB       GLU  34   0.729  -6.443  20.830
  278   1HG   GLU  34          2HG       GLU  34  -0.035  -5.836  18.568
  279   2HG   GLU  34          3HG       GLU  34   1.549  -6.202  17.888
  280    H    ILE  35           H        ILE  35   1.406  -3.144  18.189
  281    HA   ILE  35           HA       ILE  35   4.023  -3.338  16.909
  282    HB   ILE  35           HB       ILE  35   1.434  -1.829  16.434
  283   1HG1  ILE  35          2HG1      ILE  35   2.988  -3.913  14.839
  284   2HG1  ILE  35          3HG1      ILE  35   1.642  -4.277  15.902
  285   1HG2  ILE  35          1HG2      ILE  35   3.208  -0.272  15.738
  286   2HG2  ILE  35          2HG2      ILE  35   3.956  -1.565  14.762
  287   3HG2  ILE  35          3HG2      ILE  35   2.351  -0.908  14.352
  288   1HD1  ILE  35          1HD1      ILE  35   0.146  -2.859  14.475
  289   2HD1  ILE  35          2HD1      ILE  35   1.495  -2.693  13.317
  290   3HD1  ILE  35          3HD1      ILE  35   0.819  -4.285  13.664
  291    H    VAL  36           H        VAL  36   5.692  -2.105  17.279
  292    HA   VAL  36           HA       VAL  36   5.687   0.198  19.132
  293    HB   VAL  36           HB       VAL  36   7.804  -1.239  17.471
  294   1HG1  VAL  36          1HG1      VAL  36   8.448   1.086  17.378
  295   2HG1  VAL  36          2HG1      VAL  36   8.164   1.289  19.126
  296   3HG1  VAL  36          3HG1      VAL  36   9.487   0.253  18.535
  297   1HG2  VAL  36          1HG2      VAL  36   7.527  -0.823  20.482
  298   2HG2  VAL  36          2HG2      VAL  36   7.064  -2.294  19.608
  299   3HG2  VAL  36          3HG2      VAL  36   8.759  -1.799  19.646
  300    H    ASP  37           H        ASP  37   6.292  -0.477  15.631
  301    HA   ASP  37           HA       ASP  37   4.665   1.742  14.883
  302   1HB   ASP  37          2HB       ASP  37   7.168   2.668  15.492
  303   2HB   ASP  37          3HB       ASP  37   7.421   2.248  13.807
  304    H    ILE  38           H        ILE  38   4.967   2.234  12.427
  305    HA   ILE  38           HA       ILE  38   5.841  -0.119  10.841
  306    HB   ILE  38           HB       ILE  38   3.903   0.275   9.260
  307   1HG1  ILE  38          2HG1      ILE  38   2.572   1.587  11.672
  308   2HG1  ILE  38          3HG1      ILE  38   3.058   2.408  10.188
  309   1HG2  ILE  38          1HG2      ILE  38   4.179  -1.707  10.658
  310   2HG2  ILE  38          2HG2      ILE  38   3.231  -0.944  11.956
  311   3HG2  ILE  38          3HG2      ILE  38   2.486  -1.324  10.380
  312   1HD1  ILE  38          1HD1      ILE  38   1.484   0.914   8.902
  313   2HD1  ILE  38          2HD1      ILE  38   0.886   0.298  10.462
  314   3HD1  ILE  38          3HD1      ILE  38   0.704   2.010  10.058
  315    H    ASP  39           H        ASP  39   6.777   0.356   8.945
  316    HA   ASP  39           HA       ASP  39   7.068   3.259   8.217
  317   1HB   ASP  39          2HB       ASP  39   9.132   1.043   8.339
  318   2HB   ASP  39          3HB       ASP  39   9.350   2.501   7.365
  319    H    ILE  40           H        ILE  40   5.965   3.580   6.389
  320    HA   ILE  40           HA       ILE  40   6.040   1.504   4.252
  321    HB   ILE  40           HB       ILE  40   3.616   2.981   5.307
  322   1HG1  ILE  40          2HG1      ILE  40   4.016   0.024   4.734
  323   2HG1  ILE  40          3HG1      ILE  40   4.429   0.713   6.308
  324   1HG2  ILE  40          1HG2      ILE  40   3.505   3.127   2.856
  325   2HG2  ILE  40          2HG2      ILE  40   3.965   1.413   2.697
  326   3HG2  ILE  40          3HG2      ILE  40   2.392   1.871   3.371
  327   1HD1  ILE  40          1HD1      ILE  40   2.082   1.438   6.606
  328   2HD1  ILE  40          2HD1      ILE  40   1.675   0.635   5.067
  329   3HD1  ILE  40          3HD1      ILE  40   2.284  -0.323   6.429
  330    H    THR  41           H        THR  41   6.935   2.215   2.555
  331    HA   THR  41           HA       THR  41   6.769   5.107   1.782
  332    HB   THR  41           HB       THR  41   9.059   3.127   1.507
  333    HG1  THR  41           1HG      THR  41  10.079   4.596   2.796
  334   1HG2  THR  41          1HG2      THR  41   9.001   4.405  -0.560
  335   2HG2  THR  41          2HG2      THR  41   8.753   5.928   0.336
  336   3HG2  THR  41          3HG2      THR  41  10.294   5.047   0.461
  337    H    VAL  42           H        VAL  42   5.484   5.305   0.113
  338    HA   VAL  42           HA       VAL  42   5.279   3.210  -1.984
  339    HB   VAL  42           HB       VAL  42   3.031   4.444  -2.365
  340   1HG1  VAL  42          1HG1      VAL  42   3.172   2.127  -1.679
  341   2HG1  VAL  42          2HG1      VAL  42   3.503   2.592   0.006
  342   3HG1  VAL  42          3HG1      VAL  42   1.917   2.924  -0.714
  343   1HG2  VAL  42          1HG2      VAL  42   3.304   5.064   0.610
  344   2HG2  VAL  42          2HG2      VAL  42   3.398   6.288  -0.679
  345   3HG2  VAL  42          3HG2      VAL  42   1.914   5.359  -0.436
  346    H    LEU  43           H        LEU  43   6.169   3.756  -3.844
  347    HA   LEU  43           HA       LEU  43   6.467   6.658  -4.548
  348   1HB   LEU  43          2HB       LEU  43   8.471   4.464  -4.425
  349   2HB   LEU  43          3HB       LEU  43   8.414   5.278  -5.980
  350    HG   LEU  43           HG       LEU  43   8.739   7.474  -4.897
  351   1HD1  LEU  43          1HD1      LEU  43   7.843   7.076  -2.647
  352   2HD1  LEU  43          2HD1      LEU  43   9.092   5.848  -2.350
  353   3HD1  LEU  43          3HD1      LEU  43   9.536   7.559  -2.535
  354   1HD2  LEU  43          1HD2      LEU  43  10.831   5.385  -4.153
  355   2HD2  LEU  43          2HD2      LEU  43  10.663   6.174  -5.738
  356   3HD2  LEU  43          3HD2      LEU  43  11.108   7.133  -4.318
  357    H    VAL  44           H        VAL  44   5.848   7.261  -6.578
  358    HA   VAL  44           HA       VAL  44   5.270   5.185  -8.572
  359    HB   VAL  44           HB       VAL  44   3.140   5.463  -7.381
  360   1HG1  VAL  44          1HG1      VAL  44   3.373   7.785  -6.594
  361   2HG1  VAL  44          2HG1      VAL  44   3.183   8.365  -8.260
  362   3HG1  VAL  44          3HG1      VAL  44   1.854   7.500  -7.441
  363   1HG2  VAL  44          1HG2      VAL  44   3.008   6.673 -10.172
  364   2HG2  VAL  44          2HG2      VAL  44   3.193   4.947  -9.815
  365   3HG2  VAL  44          3HG2      VAL  44   1.731   5.786  -9.303
  366    H    GLU  45           H        GLU  45   5.671   5.805 -10.636
  367    HA   GLU  45           HA       GLU  45   6.210   8.638 -11.243
  368   1HB   GLU  45          2HB       GLU  45   8.389   8.288 -12.106
  369   2HB   GLU  45          3HB       GLU  45   8.400   7.756 -10.432
  370   1HG   GLU  45          2HG       GLU  45   8.474   5.437 -11.053
  371   2HG   GLU  45          3HG       GLU  45   8.060   5.779 -12.734
  372    H    TYR  46           H        TYR  46   6.494   9.021 -13.559
  373    HA   TYR  46           HA       TYR  46   5.872   6.762 -15.326
  374   1HB   TYR  46          2HB       TYR  46   3.712   7.947 -14.610
  375   2HB   TYR  46          3HB       TYR  46   4.247   9.310 -15.572
  376    HD1  TYR  46           HD1      TYR  46   1.697   7.729 -15.815
  377    HD2  TYR  46           HD2      TYR  46   5.480   7.255 -17.849
  378    HE1  TYR  46           HE1      TYR  46   0.547   6.616 -17.721
  379    HE2  TYR  46           HE2      TYR  46   4.337   6.159 -19.729
  380    HH   TYR  46           HH       TYR  46   2.352   5.434 -20.575
  381    H    THR  47           H        THR  47   7.789   6.788 -16.252
  382    HA   THR  47           HA       THR  47   8.931   9.357 -17.337
  383    HB   THR  47           HB       THR  47  10.493   7.068 -16.057
  384    HG1  THR  47           1HG      THR  47  10.196   7.961 -14.212
  385   1HG2  THR  47          1HG2      THR  47  11.771   8.389 -17.731
  386   2HG2  THR  47          2HG2      THR  47  11.305   9.891 -16.897
  387   3HG2  THR  47          3HG2      THR  47  12.349   8.701 -16.085
  388    H    ASP  48           H        ASP  48   7.836   8.758 -19.232
  389    HA   ASP  48           HA       ASP  48   7.354   7.837 -21.202
  390   1HB   ASP  48          2HB       ASP  48   9.870   8.004 -21.514
  391   2HB   ASP  48          3HB       ASP  48   9.938   6.269 -21.176
  392    H    GLU  49           H        GLU  49   8.505   5.447 -18.868
  393    HA   GLU  49           HA       GLU  49   6.165   3.690 -19.460
  394   1HB   GLU  49          2HB       GLU  49   8.360   2.633 -19.801
  395   2HB   GLU  49          3HB       GLU  49   8.863   3.084 -18.168
  396   1HG   GLU  49          2HG       GLU  49   7.186   1.605 -17.189
  397   2HG   GLU  49          3HG       GLU  49   6.489   1.275 -18.779
  398    H    LEU  50           H        LEU  50   4.918   3.015 -17.678
  399    HA   LEU  50           HA       LEU  50   4.807   4.825 -15.351
  400   1HB   LEU  50          2HB       LEU  50   2.733   4.379 -16.501
  401   2HB   LEU  50          3HB       LEU  50   3.038   2.642 -16.503
  402    HG   LEU  50           HG       LEU  50   2.716   2.539 -14.057
  403   1HD1  LEU  50          1HD1      LEU  50   3.352   4.801 -13.352
  404   2HD1  LEU  50          2HD1      LEU  50   1.995   5.495 -14.261
  405   3HD1  LEU  50          3HD1      LEU  50   1.707   4.446 -12.849
  406   1HD2  LEU  50          1HD2      LEU  50   0.434   3.914 -15.522
  407   2HD2  LEU  50          2HD2      LEU  50   0.827   2.179 -15.590
  408   3HD2  LEU  50          3HD2      LEU  50   0.305   2.902 -14.063
  409    H    LYS  51           H        LYS  51   5.639   4.287 -13.387
  410    HA   LYS  51           HA       LYS  51   5.768   1.403 -12.663
  411   1HB   LYS  51          2HB       LYS  51   8.040   1.862 -13.289
  412   2HB   LYS  51          3HB       LYS  51   8.056   3.390 -12.387
  413   1HG   LYS  51          2HG       LYS  51   7.836   2.222 -10.274
  414   2HG   LYS  51          3HG       LYS  51   7.659   0.665 -11.095
  415   1HD   LYS  51          2HD       LYS  51  10.004   0.701 -11.756
  416   2HD   LYS  51          3HD       LYS  51  10.184   2.378 -11.133
  417   1HE   LYS  51          2HE       LYS  51   9.438   1.651  -8.914
  418   2HE   LYS  51          3HE       LYS  51   9.207  -0.001  -9.469
  419   1HZ   LYS  51          1HZ       LYS  51  11.590  -0.181  -9.732
  420   2HZ   LYS  51          2HZ       LYS  51  11.800   1.404  -9.262
  421   3HZ   LYS  51          3HZ       LYS  51  11.169   0.300  -8.201
  422    H    VAL  52           H        VAL  52   5.324   0.925 -10.604
  423    HA   VAL  52           HA       VAL  52   5.038   3.028  -8.567
  424    HB   VAL  52           HB       VAL  52   2.765   2.700  -9.227
  425   1HG1  VAL  52          1HG1      VAL  52   2.827   0.565 -10.387
  426   2HG1  VAL  52          2HG1      VAL  52   3.139  -0.295  -8.856
  427   3HG1  VAL  52          3HG1      VAL  52   1.593   0.537  -9.128
  428   1HG2  VAL  52          1HG2      VAL  52   3.178   1.094  -6.672
  429   2HG2  VAL  52          2HG2      VAL  52   3.240   2.870  -6.788
  430   3HG2  VAL  52          3HG2      VAL  52   1.742   2.005  -7.162
  431    H    ASP  53           H        ASP  53   5.801   2.391  -6.593
  432    HA   ASP  53           HA       ASP  53   6.856  -0.357  -6.292
  433   1HB   ASP  53          2HB       ASP  53   8.507   1.538  -7.241
  434   2HB   ASP  53          3HB       ASP  53   8.636   1.958  -5.541
  435    H    ILE  54           H        ILE  54   7.157  -0.991  -4.166
  436    HA   ILE  54           HA       ILE  54   5.823   0.683  -2.103
  437    HB   ILE  54           HB       ILE  54   4.936  -2.161  -2.713
  438   1HG1  ILE  54          2HG1      ILE  54   3.603   0.493  -3.419
  439   2HG1  ILE  54          3HG1      ILE  54   4.125  -0.768  -4.534
  440   1HG2  ILE  54          1HG2      ILE  54   4.780  -1.361  -0.314
  441   2HG2  ILE  54          2HG2      ILE  54   3.722  -0.052  -0.869
  442   3HG2  ILE  54          3HG2      ILE  54   3.234  -1.754  -1.059
  443   1HD1  ILE  54          1HD1      ILE  54   2.404  -2.306  -3.561
  444   2HD1  ILE  54          2HD1      ILE  54   1.798  -0.944  -2.585
  445   3HD1  ILE  54          3HD1      ILE  54   1.750  -0.860  -4.364
  446    H    SER  55           H        SER  55   6.962   0.630  -0.271
  447    HA   SER  55           HA       SER  55   8.351  -1.915   0.495
  448   1HB   SER  55          2HB       SER  55   9.410   0.929   0.685
  449   2HB   SER  55          3HB       SER  55  10.114  -0.457   1.547
  450    HG   SER  55           HG       SER  55   9.625  -0.768  -1.178
  451    H    ALA  56           H        ALA  56   7.537  -2.656   2.368
  452    HA   ALA  56           HA       ALA  56   6.508  -0.721   4.367
  453   1HB   ALA  56          1HB       ALA  56   4.580  -1.657   3.128
  454   2HB   ALA  56          2HB       ALA  56   5.132  -3.300   3.551
  455   3HB   ALA  56          3HB       ALA  56   4.607  -2.183   4.824
  456    H    GLU  57           H        GLU  57   7.145  -1.116   6.377
  457    HA   GLU  57           HA       GLU  57   8.359  -3.737   7.103
  458   1HB   GLU  57          2HB       GLU  57  10.029  -2.040   6.288
  459   2HB   GLU  57          3HB       GLU  57   9.563  -0.990   7.625
  460   1HG   GLU  57          2HG       GLU  57  10.360  -2.637   9.247
  461   2HG   GLU  57          3HG       GLU  57  10.627  -3.823   7.963
  462    H    LEU  58           H        LEU  58   8.267  -4.225   9.311
  463    HA   LEU  58           HA       LEU  58   6.158  -2.777  10.851
  464   1HB   LEU  58          2HB       LEU  58   5.232  -4.686   9.613
  465   2HB   LEU  58          3HB       LEU  58   6.524  -5.730  10.196
  466    HG   LEU  58           HG       LEU  58   5.643  -5.530  12.523
  467   1HD1  LEU  58          1HD1      LEU  58   4.461  -3.403  12.457
  468   2HD1  LEU  58          2HD1      LEU  58   3.399  -3.993  11.152
  469   3HD1  LEU  58          3HD1      LEU  58   3.292  -4.694  12.772
  470   1HD2  LEU  58          1HD2      LEU  58   3.606  -6.466  10.458
  471   2HD2  LEU  58          2HD2      LEU  58   4.988  -7.410  11.066
  472   3HD2  LEU  58          3HD2      LEU  58   3.681  -6.958  12.166
  473    H    TYR  59           H        TYR  59   6.790  -2.254  12.873
  474    HA   TYR  59           HA       TYR  59   8.973  -3.856  14.150
  475   1HB   TYR  59          2HB       TYR  59   8.191  -0.937  14.454
  476   2HB   TYR  59          3HB       TYR  59   9.283  -1.789  15.537
  477    HD1  TYR  59           HD1      TYR  59  11.524  -2.413  14.882
  478    HD2  TYR  59           HD2      TYR  59   8.863  -0.503  12.067
  479    HE1  TYR  59           HE1      TYR  59  13.415  -2.112  13.282
  480    HE2  TYR  59           HE2      TYR  59  10.738  -0.235  10.470
  481    HH   TYR  59           HH       TYR  59  12.888  -1.065   9.913
  482    H    LEU  60           H        LEU  60   7.979  -5.376  15.257
  483    HA   LEU  60           HA       LEU  60   5.651  -4.890  17.008
  484   1HB   LEU  60          2HB       LEU  60   7.417  -7.266  16.305
  485   2HB   LEU  60          3HB       LEU  60   6.369  -7.336  17.704
  486    HG   LEU  60           HG       LEU  60   5.338  -6.790  14.884
  487   1HD1  LEU  60          1HD1      LEU  60   6.331  -9.057  15.085
  488   2HD1  LEU  60          2HD1      LEU  60   5.338  -9.358  16.528
  489   3HD1  LEU  60          3HD1      LEU  60   4.564  -9.118  14.944
  490   1HD2  LEU  60          1HD2      LEU  60   3.194  -7.607  16.141
  491   2HD2  LEU  60          2HD2      LEU  60   4.069  -7.246  17.622
  492   3HD2  LEU  60          3HD2      LEU  60   3.743  -5.950  16.457
  493    H    ASP  61           H        ASP  61   5.721  -5.054  19.248
  494    HA   ASP  61           HA       ASP  61   8.120  -4.363  20.740
  495   1HB   ASP  61          2HB       ASP  61   5.818  -3.880  21.514
  496   2HB   ASP  61          3HB       ASP  61   5.426  -5.604  21.502
  497    H    GLU  62           H        GLU  62   9.575  -5.758  21.768
  498    HA   GLU  62           HA       GLU  62  10.054  -8.244  20.554
  499   1HB   GLU  62          2HB       GLU  62  11.119  -7.254  23.241
  500   2HB   GLU  62          3HB       GLU  62  11.807  -8.525  22.238
  501   1HG   GLU  62          2HG       GLU  62  13.172  -6.884  21.549
  502   2HG   GLU  62          3HG       GLU  62  11.887  -6.588  20.388
  503    H    LEU  63           H        LEU  63   7.669  -7.738  22.951
  504    HA   LEU  63           HA       LEU  63   7.710 -10.571  23.838
  505   1HB   LEU  63          2HB       LEU  63   5.858  -8.259  24.530
  506   2HB   LEU  63          3HB       LEU  63   5.860  -9.842  25.302
  507    HG   LEU  63           HG       LEU  63   8.194  -7.871  25.414
  508   1HD1  LEU  63          1HD1      LEU  63   6.239  -7.065  26.641
  509   2HD1  LEU  63          2HD1      LEU  63   6.118  -8.617  27.509
  510   3HD1  LEU  63          3HD1      LEU  63   7.529  -7.554  27.752
  511   1HD2  LEU  63          1HD2      LEU  63   7.728 -10.516  26.854
  512   2HD2  LEU  63          2HD2      LEU  63   8.983 -10.183  25.637
  513   3HD2  LEU  63          3HD2      LEU  63   9.041  -9.367  27.203
  514    H    SER  64           H        SER  64   6.639  -9.151  21.020
  515    HA   SER  64           HA       SER  64   4.466 -11.214  20.757
  516   1HB   SER  64          2HB       SER  64   4.399  -8.312  20.139
  517   2HB   SER  64          3HB       SER  64   3.889  -9.354  18.803
  518    HG   SER  64           HG       SER  64   2.025  -9.228  19.831
  519    H    ASP  65           H        ASP  65   4.339 -12.394  18.892
  520    HA   ASP  65           HA       ASP  65   6.406 -12.102  16.804
  521   1HB   ASP  65          2HB       ASP  65   6.957 -14.460  17.052
  522   2HB   ASP  65          3HB       ASP  65   7.359 -13.537  18.490
  523    H    ALA  66           H        ALA  66   4.894 -11.478  15.386
  524    HA   ALA  66           HA       ALA  66   2.634 -13.148  14.589
  525   1HB   ALA  66          1HB       ALA  66   2.652 -10.660  14.403
  526   2HB   ALA  66          2HB       ALA  66   3.922 -10.786  13.157
  527   3HB   ALA  66          3HB       ALA  66   2.304 -11.469  12.873
  528    H    ASP  67           H        ASP  67   2.499 -13.582  12.052
  529    HA   ASP  67           HA       ASP  67   4.302 -15.711  11.685
  530   1HB   ASP  67          2HB       ASP  67   2.197 -14.576   9.791
  531   2HB   ASP  67          3HB       ASP  67   2.884 -16.198   9.722
  532    HA   PRO  68           HA       PRO  68   7.406 -14.002   9.026
  533   1HB   PRO  68          2HB       PRO  68   8.568 -16.233   7.989
  534   2HB   PRO  68          3HB       PRO  68   8.557 -15.881   9.738
  535   1HG   PRO  68          2HG       PRO  68   6.596 -17.632   8.208
  536   2HG   PRO  68          3HG       PRO  68   7.555 -18.065   9.663
  537   1HD   PRO  68          2HD       PRO  68   5.001 -17.184   9.873
  538   2HD   PRO  68          3HD       PRO  68   6.245 -16.685  11.058
  539    H    GLY  69           H        GLY  69   5.250 -13.327   7.918
  540   1HA   GLY  69          2HA       GLY  69   5.767 -12.895   5.175
  541   2HA   GLY  69          3HA       GLY  69   4.565 -14.184   5.265
  542    H    ILE  70           H        ILE  70   3.879 -12.328   7.980
  543    HA   ILE  70           HA       ILE  70   1.436 -11.565   6.871
  544    HB   ILE  70           HB       ILE  70   2.272 -12.191   9.260
  545   1HG1  ILE  70          2HG1      ILE  70   0.090 -10.108   9.105
  546   2HG1  ILE  70          3HG1      ILE  70  -0.082 -11.745   8.451
  547   1HG2  ILE  70          1HG2      ILE  70   3.797 -10.239   9.549
  548   2HG2  ILE  70          2HG2      ILE  70   2.376  -9.161   9.579
  549   3HG2  ILE  70          3HG2      ILE  70   2.602 -10.382  10.835
  550   1HD1  ILE  70          1HD1      ILE  70   0.548 -12.684  10.695
  551   2HD1  ILE  70          2HD1      ILE  70   0.440 -11.040  11.359
  552   3HD1  ILE  70          3HD1      ILE  70  -0.995 -11.817  10.663
  553    H    VAL  71           H        VAL  71   4.377  -9.732   6.975
  554    HA   VAL  71           HA       VAL  71   3.112  -7.137   6.415
  555    HB   VAL  71           HB       VAL  71   5.988  -7.671   5.714
  556   1HG1  VAL  71          1HG1      VAL  71   4.939  -5.467   5.350
  557   2HG1  VAL  71          2HG1      VAL  71   4.592  -5.345   7.092
  558   3HG1  VAL  71          3HG1      VAL  71   6.272  -5.383   6.508
  559   1HG2  VAL  71          1HG2      VAL  71   5.051  -7.485   8.587
  560   2HG2  VAL  71          2HG2      VAL  71   5.979  -8.799   7.804
  561   3HG2  VAL  71          3HG2      VAL  71   6.726  -7.217   8.040
  562    H    ASP  72           H        ASP  72   5.087  -9.577   4.699
  563    HA   ASP  72           HA       ASP  72   5.055  -8.599   2.120
  564   1HB   ASP  72          2HB       ASP  72   4.836 -11.548   2.828
  565   2HB   ASP  72          3HB       ASP  72   5.654 -10.817   1.455
  566    H    GLU  73           H        GLU  73   2.547 -10.686   3.647
  567    HA   GLU  73           HA       GLU  73   0.761 -10.764   1.403
  568   1HB   GLU  73          2HB       GLU  73   0.178 -10.812   4.392
  569   2HB   GLU  73          3HB       GLU  73  -1.017 -11.074   3.110
  570   1HG   GLU  73          2HG       GLU  73   0.290 -13.036   2.315
  571   2HG   GLU  73          3HG       GLU  73   1.308 -12.896   3.752
  572    H    ALA  74           H        ALA  74   1.310  -8.152   3.821
  573    HA   ALA  74           HA       ALA  74  -1.110  -6.689   3.128
  574   1HB   ALA  74          1HB       ALA  74   0.343  -6.407   5.268
  575   2HB   ALA  74          2HB       ALA  74   1.459  -5.490   4.242
  576   3HB   ALA  74          3HB       ALA  74  -0.191  -4.923   4.443
  577    H    VAL  75           H        VAL  75   2.310  -6.636   2.103
  578    HA   VAL  75           HA       VAL  75   2.008  -4.451   0.258
  579    HB   VAL  75           HB       VAL  75   4.110  -6.608  -0.100
  580   1HG1  VAL  75          1HG1      VAL  75   3.781  -4.551  -1.661
  581   2HG1  VAL  75          2HG1      VAL  75   4.328  -3.597  -0.280
  582   3HG1  VAL  75          3HG1      VAL  75   5.407  -4.807  -0.987
  583   1HG2  VAL  75          1HG2      VAL  75   3.927  -4.514   2.095
  584   2HG2  VAL  75          2HG2      VAL  75   4.447  -6.212   2.196
  585   3HG2  VAL  75          3HG2      VAL  75   5.513  -5.037   1.458
  586    H    ASP  76           H        ASP  76   2.042  -8.037  -0.329
  587    HA   ASP  76           HA       ASP  76   1.264  -7.951  -3.040
  588   1HB   ASP  76          2HB       ASP  76   2.062  -9.945  -1.759
  589   2HB   ASP  76          3HB       ASP  76   0.472 -10.041  -0.991
  590    H    ALA  77           H        ALA  77  -0.880  -7.883  -0.113
  591    HA   ALA  77           HA       ALA  77  -3.315  -7.838  -1.592
  592   1HB   ALA  77          1HB       ALA  77  -2.676  -6.633   1.137
  593   2HB   ALA  77          2HB       ALA  77  -4.302  -6.915   0.481
  594   3HB   ALA  77          3HB       ALA  77  -3.234  -8.290   0.818
  595    H    ALA  78           H        ALA  78  -1.164  -5.111  -0.566
  596    HA   ALA  78           HA       ALA  78  -2.756  -3.053  -1.773
  597   1HB   ALA  78          1HB       ALA  78  -0.984  -2.658  -0.123
  598   2HB   ALA  78          2HB       ALA  78   0.262  -3.108  -1.310
  599   3HB   ALA  78          3HB       ALA  78  -0.757  -1.685  -1.581
  600    H    TYR  79           H        TYR  79  -0.105  -5.102  -3.172
  601    HA   TYR  79           HA       TYR  79  -0.171  -3.867  -5.752
  602   1HB   TYR  79          2HB       TYR  79   0.624  -6.662  -4.851
  603   2HB   TYR  79          3HB       TYR  79   0.743  -6.132  -6.511
  604    HD1  TYR  79           HD1      TYR  79   2.649  -6.512  -3.575
  605    HD2  TYR  79           HD2      TYR  79   1.972  -3.776  -6.860
  606    HE1  TYR  79           HE1      TYR  79   4.991  -5.687  -3.403
  607    HE2  TYR  79           HE2      TYR  79   4.279  -2.894  -6.607
  608    HH   TYR  79           HH       TYR  79   6.301  -3.115  -5.489
  609    H    ARG  80           H        ARG  80  -2.069  -6.745  -4.563
  610    HA   ARG  80           HA       ARG  80  -3.507  -7.035  -7.071
  611   1HB   ARG  80          2HB       ARG  80  -4.662  -7.685  -4.328
  612   2HB   ARG  80          3HB       ARG  80  -5.150  -8.331  -5.887
  613   1HG   ARG  80          2HG       ARG  80  -2.754  -9.028  -4.215
  614   2HG   ARG  80          3HG       ARG  80  -4.025 -10.065  -4.791
  615   1HD   ARG  80          2HD       ARG  80  -3.129 -10.017  -7.063
  616   2HD   ARG  80          3HD       ARG  80  -1.928  -8.800  -6.600
  617    HE   ARG  80           HE       ARG  80  -0.788 -10.358  -5.187
  618   1HH1  ARG  80          1HH2      ARG  80  -2.997 -11.995  -7.372
  619   2HH1  ARG  80          2HH2      ARG  80  -2.452 -13.577  -6.866
  620   1HH2  ARG  80          1HH1      ARG  80  -0.388 -12.324  -4.370
  621   2HH2  ARG  80          2HH1      ARG  80  -0.888 -13.762  -5.244
  622    H    SER  81           H        SER  81  -4.165  -5.141  -4.152
  623    HA   SER  81           HA       SER  81  -6.707  -4.135  -4.953
  624   1HB   SER  81          2HB       SER  81  -4.687  -2.819  -3.098
  625   2HB   SER  81          3HB       SER  81  -6.419  -2.461  -3.215
  626    HG   SER  81           HG       SER  81  -5.140  -4.815  -2.306
  627    H    LEU  82           H        LEU  82  -3.399  -2.903  -5.701
  628    HA   LEU  82           HA       LEU  82  -4.230  -0.424  -6.784
  629   1HB   LEU  82          2HB       LEU  82  -1.894  -1.247  -6.232
  630   2HB   LEU  82          3HB       LEU  82  -1.902  -2.182  -7.698
  631    HG   LEU  82           HG       LEU  82  -0.668   0.032  -7.688
  632   1HD1  LEU  82          1HD1      LEU  82  -1.240  -1.169  -9.787
  633   2HD1  LEU  82          2HD1      LEU  82  -2.718  -0.204  -9.914
  634   3HD1  LEU  82          3HD1      LEU  82  -1.140   0.590  -9.975
  635   1HD2  LEU  82          1HD2      LEU  82  -3.407   1.291  -8.052
  636   2HD2  LEU  82          2HD2      LEU  82  -2.435   1.403  -6.566
  637   3HD2  LEU  82          3HD2      LEU  82  -1.831   2.097  -8.084
  638    H    GLU  83           H        GLU  83  -3.779  -3.592  -8.478
  639    HA   GLU  83           HA       GLU  83  -4.706  -2.578 -11.003
  640   1HB   GLU  83          2HB       GLU  83  -4.005  -5.219  -9.823
  641   2HB   GLU  83          3HB       GLU  83  -5.248  -5.299 -11.067
  642   1HG   GLU  83          2HG       GLU  83  -2.934  -5.566 -11.960
  643   2HG   GLU  83          3HG       GLU  83  -3.866  -4.274 -12.710
  644    H    SER  84           H        SER  84  -6.553  -4.255  -8.350
  645    HA   SER  84           HA       SER  84  -8.942  -3.792  -9.922
  646   1HB   SER  84          2HB       SER  84  -8.647  -5.032  -7.225
  647   2HB   SER  84          3HB       SER  84 -10.222  -4.692  -7.985
  648    HG   SER  84           HG       SER  84  -9.304  -5.811  -9.959
  649    H    PHE  85           H        PHE  85  -7.362  -1.698  -7.710
  650    HA   PHE  85           HA       PHE  85  -9.590   0.128  -7.449
  651   1HB   PHE  85          2HB       PHE  85  -7.680   0.344  -6.063
  652   2HB   PHE  85          3HB       PHE  85  -6.571   0.362  -7.412
  653    HD1  PHE  85           HD1      PHE  85  -6.735   2.357  -9.078
  654    HD2  PHE  85           HD2      PHE  85  -8.218   2.391  -5.042
  655    HE1  PHE  85           HE1      PHE  85  -6.318   4.812  -8.944
  656    HE2  PHE  85           HE2      PHE  85  -7.792   4.833  -4.895
  657    HZ   PHE  85           HZ       PHE  85  -6.811   6.041  -6.834
  658    H    LEU  86           H        LEU  86  -7.176  -0.509 -10.060
  659    HA   LEU  86           HA       LEU  86  -8.307   1.578 -11.783
  660   1HB   LEU  86          2HB       LEU  86  -6.468  -0.761 -12.430
  661   2HB   LEU  86          3HB       LEU  86  -6.902   0.530 -13.536
  662    HG   LEU  86           HG       LEU  86  -5.399   0.933 -10.900
  663   1HD1  LEU  86          1HD1      LEU  86  -4.064  -0.293 -12.563
  664   2HD1  LEU  86          2HD1      LEU  86  -4.385   0.973 -13.773
  665   3HD1  LEU  86          3HD1      LEU  86  -3.441   1.337 -12.309
  666   1HD2  LEU  86          1HD2      LEU  86  -6.032   2.867 -13.166
  667   2HD2  LEU  86          2HD2      LEU  86  -6.664   2.935 -11.503
  668   3HD2  LEU  86          3HD2      LEU  86  -4.945   3.197 -11.795
  669    H    ASP  87           H        ASP  87  -8.803  -2.007 -11.508
  670    HA   ASP  87           HA       ASP  87 -10.814  -2.207 -13.491
  671   1HB   ASP  87          2HB       ASP  87 -11.040  -3.483 -10.736
  672   2HB   ASP  87          3HB       ASP  87 -11.905  -3.941 -12.179
  673    H    GLY  88           H        GLY  88 -10.922  -0.771 -10.231
  674   1HA   GLY  88          2HA       GLY  88 -13.786  -0.346 -10.137
  675   2HA   GLY  88          3HA       GLY  88 -12.557   0.302  -9.037
  676    H    PHE  89           H        PHE  89 -11.420   1.265 -11.922
  677    HA   PHE  89           HA       PHE  89 -13.075   3.755 -12.040
  678   1HB   PHE  89          2HB       PHE  89 -10.076   3.330 -12.064
  679   2HB   PHE  89          3HB       PHE  89 -10.784   4.711 -12.882
  680    HD1  PHE  89           HD1      PHE  89  -9.164   3.994  -9.941
  681    HD2  PHE  89           HD2      PHE  89 -12.779   5.835 -11.356
  682    HE1  PHE  89           HE1      PHE  89  -9.312   5.355  -7.872
  683    HE2  PHE  89           HE2      PHE  89 -12.878   7.253  -9.316
  684    HZ   PHE  89           HZ       PHE  89 -11.131   6.998  -7.564
  685    H    ARG  90           H        ARG  90 -11.846   1.126 -13.952
  686    HA   ARG  90           HA       ARG  90 -12.936   2.476 -16.398
  687   1HB   ARG  90          2HB       ARG  90 -10.182   1.203 -16.188
  688   2HB   ARG  90          3HB       ARG  90 -10.918   1.819 -17.667
  689   1HG   ARG  90          2HG       ARG  90 -10.937   4.121 -16.712
  690   2HG   ARG  90          3HG       ARG  90 -10.107   3.519 -15.265
  691   1HD   ARG  90          2HD       ARG  90  -9.035   3.390 -18.103
  692   2HD   ARG  90          3HD       ARG  90  -8.532   4.532 -16.840
  693    HE   ARG  90           HE       ARG  90  -8.282   1.829 -15.907
  694   1HH1  ARG  90          1HH2      ARG  90  -6.645   4.041 -18.060
  695   2HH1  ARG  90          2HH2      ARG  90  -5.113   3.213 -17.937
  696   1HH2  ARG  90          1HH1      ARG  90  -6.325   0.755 -15.812
  697   2HH2  ARG  90          2HH1      ARG  90  -4.941   1.382 -16.652
  698    H    GLU  91           H        GLU  91 -11.986  -0.588 -14.878
  699    HA   GLU  91           HA       GLU  91 -12.043  -2.739 -15.558
  700   1HB   GLU  91          2HB       GLU  91 -14.520  -2.115 -15.292
  701   2HB   GLU  91          3HB       GLU  91 -14.608  -2.138 -17.057
  702   1HG   GLU  91          2HG       GLU  91 -13.864  -4.530 -17.031
  703   2HG   GLU  91          3HG       GLU  91 -13.693  -4.454 -15.285
  Start of MODEL   28
    1    H    MET   1           H1       MET   1 -11.384   5.579 -20.412
    2    HA   MET   1           HA       MET   1  -9.965   7.113 -19.278
    3   1HB   MET   1          2HB       MET   1 -11.488   9.201 -20.899
    4   2HB   MET   1          3HB       MET   1 -10.470   9.567 -19.501
    5   1HG   MET   1          2HG       MET   1  -8.513   8.584 -20.652
    6   2HG   MET   1          3HG       MET   1  -9.513   8.285 -22.084
    7   1HE   MET   1          1HE       MET   1  -6.742   9.891 -22.118
    8   2HE   MET   1          2HE       MET   1  -7.726   9.590 -23.572
    9   3HE   MET   1          3HE       MET   1  -7.160  11.235 -23.205
   10    H    SER   2           H        SER   2 -10.675   8.267 -17.337
   11    HA   SER   2           HA       SER   2 -13.295   9.003 -16.731
   12   1HB   SER   2          2HB       SER   2 -12.672   6.160 -15.895
   13   2HB   SER   2          3HB       SER   2 -13.767   7.184 -14.932
   14    HG   SER   2           HG       SER   2 -14.025   6.867 -17.740
   15    H    LEU   3           H        LEU   3 -10.226   7.669 -15.400
   16    HA   LEU   3           HA       LEU   3 -10.257   9.343 -13.058
   17   1HB   LEU   3          2HB       LEU   3  -7.969   8.767 -12.819
   18   2HB   LEU   3          3HB       LEU   3  -8.878   7.317 -13.172
   19    HG   LEU   3           HG       LEU   3  -7.451   8.765 -15.427
   20   1HD1  LEU   3          1HD1      LEU   3  -5.776   8.535 -13.654
   21   2HD1  LEU   3          2HD1      LEU   3  -6.227   6.837 -13.396
   22   3HD1  LEU   3          3HD1      LEU   3  -5.457   7.328 -14.917
   23   1HD2  LEU   3          1HD2      LEU   3  -7.843   5.804 -14.919
   24   2HD2  LEU   3          2HD2      LEU   3  -8.880   6.761 -16.005
   25   3HD2  LEU   3          3HD2      LEU   3  -7.170   6.550 -16.374
   26    H    ARG   4           H        ARG   4  -8.418  11.056 -12.837
   27    HA   ARG   4           HA       ARG   4  -9.036  13.113 -14.875
   28   1HB   ARG   4          2HB       ARG   4  -7.773  13.211 -12.098
   29   2HB   ARG   4          3HB       ARG   4  -7.935  14.612 -13.138
   30   1HG   ARG   4          2HG       ARG   4  -9.684  14.734 -11.604
   31   2HG   ARG   4          3HG       ARG   4 -10.418  14.332 -13.147
   32   1HD   ARG   4          2HD       ARG   4  -9.761  11.999 -11.386
   33   2HD   ARG   4          3HD       ARG   4 -10.914  13.117 -10.705
   34    HE   ARG   4           HE       ARG   4 -11.293  11.479 -13.165
   35   1HH1  ARG   4          1HH2      ARG   4 -12.754  13.826 -10.998
   36   2HH1  ARG   4          2HH2      ARG   4 -14.367  13.453 -11.545
   37   1HH2  ARG   4          1HH1      ARG   4 -13.314  10.995 -13.764
   38   2HH2  ARG   4          2HH1      ARG   4 -14.683  11.886 -13.121
   39    H    LYS   5           H        LYS   5  -7.084  14.763 -15.076
   40    HA   LYS   5           HA       LYS   5  -4.879  13.570 -16.540
   41   1HB   LYS   5          2HB       LYS   5  -5.346  16.320 -15.289
   42   2HB   LYS   5          3HB       LYS   5  -3.868  15.907 -16.141
   43   1HG   LYS   5          2HG       LYS   5  -6.637  15.863 -17.416
   44   2HG   LYS   5          3HG       LYS   5  -5.492  17.206 -17.480
   45   1HD   LYS   5          2HD       LYS   5  -3.800  15.537 -18.513
   46   2HD   LYS   5          3HD       LYS   5  -5.168  14.430 -18.683
   47   1HE   LYS   5          2HE       LYS   5  -4.929  15.547 -20.774
   48   2HE   LYS   5          3HE       LYS   5  -6.376  16.208 -20.000
   49   1HZ   LYS   5          1HZ       LYS   5  -5.030  18.108 -19.296
   50   2HZ   LYS   5          2HZ       LYS   5  -3.698  17.483 -20.025
   51   3HZ   LYS   5          3HZ       LYS   5  -4.983  17.956 -20.934
   52    H    LEU   6           H        LEU   6  -3.411  12.293 -15.544
   53    HA   LEU   6           HA       LEU   6  -3.206  12.196 -12.738
   54   1HB   LEU   6          2HB       LEU   6  -1.333  10.965 -14.812
   55   2HB   LEU   6          3HB       LEU   6  -1.419  10.573 -13.105
   56    HG   LEU   6           HG       LEU   6  -3.986  10.071 -13.676
   57   1HD1  LEU   6          1HD1      LEU   6  -3.958  10.632 -16.058
   58   2HD1  LEU   6          2HD1      LEU   6  -2.544   9.580 -16.326
   59   3HD1  LEU   6          3HD1      LEU   6  -4.120   8.896 -15.896
   60   1HD2  LEU   6          1HD2      LEU   6  -1.655   8.202 -14.315
   61   2HD2  LEU   6          2HD2      LEU   6  -2.379   8.471 -12.712
   62   3HD2  LEU   6          3HD2      LEU   6  -3.321   7.686 -13.978
   63    H    THR   7           H        THR   7  -2.269  13.591 -11.467
   64    HA   THR   7           HA       THR   7   0.554  14.397 -11.950
   65    HB   THR   7           HB       THR   7  -0.904  16.191 -12.810
   66    HG1  THR   7           1HG      THR   7   0.131  17.809 -11.640
   67   1HG2  THR   7          1HG2      THR   7  -2.854  15.987 -11.292
   68   2HG2  THR   7          2HG2      THR   7  -1.854  16.542  -9.933
   69   3HG2  THR   7          3HG2      THR   7  -2.184  17.624 -11.301
   70    H    GLU   8           H        GLU   8   0.900  15.934  -9.737
   71    HA   GLU   8           HA       GLU   8   1.599  14.113  -7.748
   72   1HB   GLU   8          2HB       GLU   8   0.927  17.066  -7.467
   73   2HB   GLU   8          3HB       GLU   8   1.801  16.108  -6.263
   74   1HG   GLU   8          2HG       GLU   8   3.623  15.681  -7.843
   75   2HG   GLU   8          3HG       GLU   8   2.760  16.523  -9.133
   76    H    GLY   9           H        GLY   9  -1.533  15.818  -8.003
   77   1HA   GLY   9          2HA       GLY   9  -2.554  15.051  -5.428
   78   2HA   GLY   9          3HA       GLY   9  -3.505  15.564  -6.831
   79    H    ASP  10           H        ASP  10  -3.095  13.547  -8.725
   80    HA   ASP  10           HA       ASP  10  -4.677  11.373  -7.735
   81   1HB   ASP  10          2HB       ASP  10  -2.903  11.220 -10.194
   82   2HB   ASP  10          3HB       ASP  10  -4.467  10.464  -9.914
   83    H    LEU  11           H        LEU  11  -1.183  11.746  -8.399
   84    HA   LEU  11           HA       LEU  11  -0.473   9.042  -7.711
   85   1HB   LEU  11          2HB       LEU  11   1.043  11.617  -8.106
   86   2HB   LEU  11          3HB       LEU  11   1.857  10.209  -7.453
   87    HG   LEU  11           HG       LEU  11   1.420   8.900  -9.397
   88   1HD1  LEU  11          1HD1      LEU  11  -0.785   9.592 -10.166
   89   2HD1  LEU  11          2HD1      LEU  11  -0.126  11.166 -10.678
   90   3HD1  LEU  11          3HD1      LEU  11   0.401   9.671 -11.469
   91   1HD2  LEU  11          1HD2      LEU  11   2.357  11.659 -10.253
   92   2HD2  LEU  11          2HD2      LEU  11   3.353  10.427  -9.444
   93   3HD2  LEU  11          3HD2      LEU  11   2.722  10.121 -11.070
   94    H    ASP  12           H        ASP  12  -0.622  12.034  -5.662
   95    HA   ASP  12           HA       ASP  12   0.169  10.668  -3.257
   96   1HB   ASP  12          2HB       ASP  12   0.164  13.113  -3.454
   97   2HB   ASP  12          3HB       ASP  12  -1.595  13.117  -3.650
   98    H    GLU  13           H        GLU  13  -3.140  11.286  -4.677
   99    HA   GLU  13           HA       GLU  13  -4.574  10.021  -2.594
  100   1HB   GLU  13          2HB       GLU  13  -5.591  11.409  -4.301
  101   2HB   GLU  13          3HB       GLU  13  -5.215  10.253  -5.568
  102   1HG   GLU  13          2HG       GLU  13  -6.978   9.552  -3.179
  103   2HG   GLU  13          3HG       GLU  13  -7.620  10.370  -4.596
  104    H    ILE  14           H        ILE  14  -3.276   8.524  -5.615
  105    HA   ILE  14           HA       ILE  14  -4.057   5.853  -4.952
  106    HB   ILE  14           HB       ILE  14  -1.877   7.017  -6.715
  107   1HG1  ILE  14          2HG1      ILE  14  -4.444   5.524  -7.418
  108   2HG1  ILE  14          3HG1      ILE  14  -4.386   7.270  -7.259
  109   1HG2  ILE  14          1HG2      ILE  14  -1.057   4.793  -6.081
  110   2HG2  ILE  14          2HG2      ILE  14  -2.647   4.073  -6.423
  111   3HG2  ILE  14          3HG2      ILE  14  -1.641   4.726  -7.733
  112   1HD1  ILE  14          1HD1      ILE  14  -2.676   7.369  -9.089
  113   2HD1  ILE  14          2HD1      ILE  14  -2.915   5.619  -9.345
  114   3HD1  ILE  14          3HD1      ILE  14  -4.261   6.739  -9.588
  115    H    SER  15           H        SER  15  -0.966   7.616  -4.277
  116    HA   SER  15           HA       SER  15   0.307   5.368  -3.052
  117   1HB   SER  15          2HB       SER  15   0.858   8.319  -2.562
  118   2HB   SER  15          3HB       SER  15   1.952   6.960  -2.227
  119    HG   SER  15           HG       SER  15   1.054   8.001  -4.694
  120    H    SER  16           H        SER  16  -1.690   7.972  -1.675
  121    HA   SER  16           HA       SER  16  -1.568   7.127   1.066
  122   1HB   SER  16          2HB       SER  16  -2.247   9.380   0.288
  123   2HB   SER  16          3HB       SER  16  -3.718   8.682  -0.417
  124    HG   SER  16           HG       SER  16  -3.989   9.540   1.710
  125    H    PHE  17           H        PHE  17  -3.948   6.381  -1.593
  126    HA   PHE  17           HA       PHE  17  -5.652   4.669  -0.100
  127   1HB   PHE  17          2HB       PHE  17  -6.370   5.341  -2.236
  128   2HB   PHE  17          3HB       PHE  17  -4.849   4.941  -2.995
  129    HD1  PHE  17           HD1      PHE  17  -4.607   2.991  -4.245
  130    HD2  PHE  17           HD2      PHE  17  -7.761   3.259  -1.314
  131    HE1  PHE  17           HE1      PHE  17  -5.512   0.812  -5.019
  132    HE2  PHE  17           HE2      PHE  17  -8.672   1.087  -2.105
  133    HZ   PHE  17           HZ       PHE  17  -7.565  -0.123  -3.973
  134    H    LEU  18           H        LEU  18  -2.605   3.900  -1.844
  135    HA   LEU  18           HA       LEU  18  -2.633   1.122  -1.100
  136   1HB   LEU  18          2HB       LEU  18  -0.406   2.986  -2.003
  137   2HB   LEU  18          3HB       LEU  18  -0.205   1.239  -1.821
  138    HG   LEU  18           HG       LEU  18  -2.287   2.499  -3.663
  139   1HD1  LEU  18          1HD1      LEU  18  -0.086   3.168  -4.426
  140   2HD1  LEU  18          2HD1      LEU  18   0.510   1.499  -4.309
  141   3HD1  LEU  18          3HD1      LEU  18  -0.733   1.931  -5.505
  142   1HD2  LEU  18          1HD2      LEU  18  -1.185  -0.312  -3.729
  143   2HD2  LEU  18          2HD2      LEU  18  -2.718   0.122  -2.941
  144   3HD2  LEU  18          3HD2      LEU  18  -2.536   0.398  -4.655
  145    H    HIS  19           H        HIS  19  -0.862   3.919   0.439
  146    HA   HIS  19           HA       HIS  19   0.265   2.383   2.539
  147   1HB   HIS  19          2HB       HIS  19   1.035   4.604   2.348
  148   2HB   HIS  19          3HB       HIS  19  -0.597   5.269   2.272
  149    HD1  HIS  19           HD1      HIS  19  -1.020   6.632   4.409
  150    HD2  HIS  19           HD2      HIS  19   0.923   2.976   5.060
  151    HE1  HIS  19           HE1      HIS  19  -0.939   6.292   6.942
  152    H    ASN  20           H        ASN  20  -2.955   4.040   2.479
  153    HA   ASN  20           HA       ASN  20  -3.704   3.123   5.096
  154   1HB   ASN  20          2HB       ASN  20  -5.316   4.132   2.722
  155   2HB   ASN  20          3HB       ASN  20  -6.062   3.622   4.241
  156   1HD2  ASN  20          2HD2      ASN  20  -4.044   6.128   2.754
  157   2HD2  ASN  20          1HD2      ASN  20  -4.223   7.227   4.125
  158    H    THR  21           H        THR  21  -4.069   1.583   1.874
  159    HA   THR  21           HA       THR  21  -5.665  -0.619   2.739
  160    HB   THR  21           HB       THR  21  -3.547  -0.544   0.547
  161    HG1  THR  21           1HG      THR  21  -5.149   0.966   0.162
  162   1HG2  THR  21          1HG2      THR  21  -4.123  -2.869   1.030
  163   2HG2  THR  21          2HG2      THR  21  -5.859  -2.465   1.035
  164   3HG2  THR  21          3HG2      THR  21  -4.918  -2.354  -0.463
  165    H    ILE  22           H        ILE  22  -2.058  -0.279   2.679
  166    HA   ILE  22           HA       ILE  22  -1.580  -2.886   3.843
  167    HB   ILE  22           HB       ILE  22   0.143  -0.386   3.923
  168   1HG1  ILE  22          2HG1      ILE  22   0.084  -2.707   1.957
  169   2HG1  ILE  22          3HG1      ILE  22  -0.330  -1.025   1.636
  170   1HG2  ILE  22          1HG2      ILE  22   0.753  -2.323   5.565
  171   2HG2  ILE  22          2HG2      ILE  22   1.188  -3.236   4.106
  172   3HG2  ILE  22          3HG2      ILE  22   2.018  -1.741   4.502
  173   1HD1  ILE  22          1HD1      ILE  22   2.115  -0.521   2.446
  174   2HD1  ILE  22          2HD1      ILE  22   2.360  -2.246   2.046
  175   3HD1  ILE  22          3HD1      ILE  22   1.752  -1.102   0.802
  176    H    SER  23           H        SER  23  -1.751   0.420   5.318
  177    HA   SER  23           HA       SER  23  -1.260  -0.421   7.970
  178   1HB   SER  23          2HB       SER  23  -2.694   1.996   6.836
  179   2HB   SER  23          3HB       SER  23  -2.376   1.777   8.575
  180    HG   SER  23           HG       SER  23  -0.643   2.877   7.145
  181    H    ASP  24           H        ASP  24  -4.512  -0.002   6.352
  182    HA   ASP  24           HA       ASP  24  -5.979  -1.102   8.541
  183   1HB   ASP  24          2HB       ASP  24  -6.520  -0.894   5.572
  184   2HB   ASP  24          3HB       ASP  24  -7.577  -1.813   6.609
  185    H    PHE  25           H        PHE  25  -4.332  -2.847   5.782
  186    HA   PHE  25           HA       PHE  25  -5.420  -5.387   6.543
  187   1HB   PHE  25          2HB       PHE  25  -4.212  -4.861   4.393
  188   2HB   PHE  25          3HB       PHE  25  -2.698  -4.868   5.283
  189    HD1  PHE  25           HD1      PHE  25  -5.131  -6.858   3.537
  190    HD2  PHE  25           HD2      PHE  25  -2.037  -7.077   6.535
  191    HE1  PHE  25           HE1      PHE  25  -5.082  -9.329   3.316
  192    HE2  PHE  25           HE2      PHE  25  -1.972  -9.541   6.280
  193    HZ   PHE  25           HZ       PHE  25  -3.522 -10.674   4.717
  194    H    ILE  26           H        ILE  26  -2.368  -3.715   7.584
  195    HA   ILE  26           HA       ILE  26  -1.468  -5.747   9.334
  196    HB   ILE  26           HB       ILE  26  -1.048  -2.742   9.159
  197   1HG1  ILE  26          2HG1      ILE  26   0.852  -5.075   8.599
  198   2HG1  ILE  26          3HG1      ILE  26  -0.149  -4.334   7.357
  199   1HG2  ILE  26          1HG2      ILE  26  -0.734  -3.331  11.491
  200   2HG2  ILE  26          2HG2      ILE  26   0.270  -4.730  11.044
  201   3HG2  ILE  26          3HG2      ILE  26   0.835  -3.063  10.763
  202   1HD1  ILE  26          1HD1      ILE  26   0.925  -2.119   7.837
  203   2HD1  ILE  26          2HD1      ILE  26   2.053  -2.950   8.922
  204   3HD1  ILE  26          3HD1      ILE  26   2.031  -3.366   7.205
  205    H    LEU  27           H        LEU  27  -3.439  -2.778  10.091
  206    HA   LEU  27           HA       LEU  27  -3.860  -3.488  12.822
  207   1HB   LEU  27          2HB       LEU  27  -5.070  -1.551  10.862
  208   2HB   LEU  27          3HB       LEU  27  -5.998  -1.916  12.301
  209    HG   LEU  27           HG       LEU  27  -4.241  -1.209  13.776
  210   1HD1  LEU  27          1HD1      LEU  27  -2.199  -1.772  12.544
  211   2HD1  LEU  27          2HD1      LEU  27  -2.575  -0.540  11.317
  212   3HD1  LEU  27          3HD1      LEU  27  -2.198  -0.063  12.982
  213   1HD2  LEU  27          1HD2      LEU  27  -4.726   0.828  11.566
  214   2HD2  LEU  27          2HD2      LEU  27  -5.835   0.461  12.907
  215   3HD2  LEU  27          3HD2      LEU  27  -4.256   1.191  13.242
  216    H    LYS  28           H        LYS  28  -5.319  -4.927  10.055
  217    HA   LYS  28           HA       LYS  28  -7.415  -6.213  11.760
  218   1HB   LYS  28          2HB       LYS  28  -7.138  -5.958   8.745
  219   2HB   LYS  28          3HB       LYS  28  -8.434  -6.847   9.555
  220   1HG   LYS  28          2HG       LYS  28  -9.329  -4.859  10.578
  221   2HG   LYS  28          3HG       LYS  28  -7.908  -3.910  10.159
  222   1HD   LYS  28          2HD       LYS  28  -8.536  -4.398   7.678
  223   2HD   LYS  28          3HD       LYS  28 -10.138  -4.816   8.331
  224   1HE   LYS  28          2HE       LYS  28 -10.223  -2.575   9.458
  225   2HE   LYS  28          3HE       LYS  28  -8.589  -2.242   8.872
  226   1HZ   LYS  28          1HZ       LYS  28  -9.581  -2.558   6.580
  227   2HZ   LYS  28          2HZ       LYS  28 -11.059  -2.307   7.287
  228   3HZ   LYS  28          3HZ       LYS  28  -9.842  -1.162   7.351
  229    H    ARG  29           H        ARG  29  -4.309  -6.799  10.906
  230    HA   ARG  29           HA       ARG  29  -4.649  -9.775  11.000
  231   1HB   ARG  29          2HB       ARG  29  -3.855  -8.741   8.849
  232   2HB   ARG  29          3HB       ARG  29  -2.473  -8.076   9.719
  233   1HG   ARG  29          2HG       ARG  29  -1.703  -9.968   8.573
  234   2HG   ARG  29          3HG       ARG  29  -1.800 -10.441  10.268
  235   1HD   ARG  29          2HD       ARG  29  -3.857 -11.707   9.846
  236   2HD   ARG  29          3HD       ARG  29  -3.916 -11.091   8.185
  237    HE   ARG  29           HE       ARG  29  -2.195 -12.521   7.514
  238   1HH1  ARG  29          1HH2      ARG  29  -2.404 -12.820  11.089
  239   2HH1  ARG  29          2HH2      ARG  29  -1.143 -14.083  11.019
  240   1HH2  ARG  29          1HH1      ARG  29  -0.534 -14.031   7.753
  241   2HH2  ARG  29          2HH1      ARG  29  -0.283 -14.708   9.400
  242    H    VAL  30           H        VAL  30  -2.809  -7.040  12.357
  243    HA   VAL  30           HA       VAL  30  -2.220  -8.636  14.794
  244    HB   VAL  30           HB       VAL  30  -0.222  -6.810  13.377
  245   1HG1  VAL  30          1HG1      VAL  30   0.058  -6.666  15.804
  246   2HG1  VAL  30          2HG1      VAL  30   0.051  -8.441  15.943
  247   3HG1  VAL  30          3HG1      VAL  30   1.382  -7.604  15.124
  248   1HG2  VAL  30          1HG2      VAL  30  -0.158  -9.823  13.755
  249   2HG2  VAL  30          2HG2      VAL  30  -0.277  -8.929  12.217
  250   3HG2  VAL  30          3HG2      VAL  30   1.204  -8.836  13.176
  251    H    SER  31           H        SER  31  -2.316  -7.288  16.732
  252    HA   SER  31           HA       SER  31  -3.895  -4.842  16.386
  253   1HB   SER  31          2HB       SER  31  -4.371  -6.296  18.260
  254   2HB   SER  31          3HB       SER  31  -2.708  -6.151  18.851
  255    HG   SER  31           HG       SER  31  -4.364  -4.728  19.807
  256    H    ALA  32           H        ALA  32  -3.216  -2.801  16.439
  257    HA   ALA  32           HA       ALA  32  -0.627  -1.818  16.302
  258   1HB   ALA  32          1HB       ALA  32  -2.638  -0.561  15.684
  259   2HB   ALA  32          2HB       ALA  32  -3.133  -0.478  17.393
  260   3HB   ALA  32          3HB       ALA  32  -1.655   0.346  16.847
  261    H    LYS  33           H        LYS  33  -2.311  -2.927  19.224
  262    HA   LYS  33           HA       LYS  33  -0.530  -1.655  21.149
  263   1HB   LYS  33          2HB       LYS  33  -2.818  -2.743  21.562
  264   2HB   LYS  33          3HB       LYS  33  -2.031  -4.303  21.400
  265   1HG   LYS  33          2HG       LYS  33  -1.574  -2.205  23.566
  266   2HG   LYS  33          3HG       LYS  33  -2.392  -3.759  23.724
  267   1HD   LYS  33          2HD       LYS  33  -0.095  -4.797  23.030
  268   2HD   LYS  33          3HD       LYS  33   0.548  -3.185  23.447
  269   1HE   LYS  33          2HE       LYS  33  -0.292  -3.387  25.715
  270   2HE   LYS  33          3HE       LYS  33  -0.943  -4.997  25.346
  271   1HZ   LYS  33          1HZ       LYS  33   1.316  -5.723  24.832
  272   2HZ   LYS  33          2HZ       LYS  33   1.927  -4.242  25.120
  273   3HZ   LYS  33          3HZ       LYS  33   1.286  -5.115  26.360
  274    H    GLU  34           H        GLU  34  -0.388  -4.669  19.238
  275    HA   GLU  34           HA       GLU  34   1.904  -5.798  20.660
  276   1HB   GLU  34          2HB       GLU  34   0.616  -6.527  18.000
  277   2HB   GLU  34          3HB       GLU  34   1.743  -7.527  18.891
  278   1HG   GLU  34          2HG       GLU  34   0.152  -7.811  20.721
  279   2HG   GLU  34          3HG       GLU  34  -0.980  -6.686  19.981
  280    H    ILE  35           H        ILE  35   1.493  -3.419  18.309
  281    HA   ILE  35           HA       ILE  35   4.120  -3.727  16.966
  282    HB   ILE  35           HB       ILE  35   1.514  -2.309  16.360
  283   1HG1  ILE  35          2HG1      ILE  35   3.027  -4.461  14.810
  284   2HG1  ILE  35          3HG1      ILE  35   1.699  -4.794  15.919
  285   1HG2  ILE  35          1HG2      ILE  35   3.360  -0.830  15.614
  286   2HG2  ILE  35          2HG2      ILE  35   4.002  -2.170  14.619
  287   3HG2  ILE  35          3HG2      ILE  35   2.399  -1.457  14.301
  288   1HD1  ILE  35          1HD1      ILE  35   0.178  -3.415  14.498
  289   2HD1  ILE  35          2HD1      ILE  35   1.506  -3.240  13.318
  290   3HD1  ILE  35          3HD1      ILE  35   0.855  -4.836  13.680
  291    H    VAL  36           H        VAL  36   5.738  -2.317  17.370
  292    HA   VAL  36           HA       VAL  36   5.413  -0.069  19.271
  293    HB   VAL  36           HB       VAL  36   7.756  -1.299  17.770
  294   1HG1  VAL  36          1HG1      VAL  36   8.210   1.068  17.624
  295   2HG1  VAL  36          2HG1      VAL  36   7.788   1.305  19.339
  296   3HG1  VAL  36          3HG1      VAL  36   9.231   0.366  18.882
  297   1HG2  VAL  36          1HG2      VAL  36   7.298  -0.769  20.736
  298   2HG2  VAL  36          2HG2      VAL  36   6.906  -2.291  19.923
  299   3HG2  VAL  36          3HG2      VAL  36   8.591  -1.746  19.995
  300    H    ASP  37           H        ASP  37   6.238  -0.588  15.790
  301    HA   ASP  37           HA       ASP  37   4.541   1.600  15.053
  302   1HB   ASP  37          2HB       ASP  37   6.968   2.586  15.815
  303   2HB   ASP  37          3HB       ASP  37   7.339   2.214  14.140
  304    H    ILE  38           H        ILE  38   4.888   2.166  12.635
  305    HA   ILE  38           HA       ILE  38   5.875  -0.115  11.017
  306    HB   ILE  38           HB       ILE  38   3.922   0.102   9.466
  307   1HG1  ILE  38          2HG1      ILE  38   2.548   1.511  11.801
  308   2HG1  ILE  38          3HG1      ILE  38   2.968   2.238  10.249
  309   1HG2  ILE  38          1HG2      ILE  38   4.289  -1.767  11.056
  310   2HG2  ILE  38          2HG2      ILE  38   3.202  -0.967  12.206
  311   3HG2  ILE  38          3HG2      ILE  38   2.598  -1.512  10.619
  312   1HD1  ILE  38          1HD1      ILE  38   1.442   0.575   9.117
  313   2HD1  ILE  38          2HD1      ILE  38   0.904   0.057  10.733
  314   3HD1  ILE  38          3HD1      ILE  38   0.632   1.723  10.201
  315    H    ASP  39           H        ASP  39   6.727   0.409   9.099
  316    HA   ASP  39           HA       ASP  39   6.802   3.314   8.331
  317   1HB   ASP  39          2HB       ASP  39   9.056   1.294   8.515
  318   2HB   ASP  39          3HB       ASP  39   9.129   2.673   7.416
  319    H    ILE  40           H        ILE  40   5.815   3.592   6.441
  320    HA   ILE  40           HA       ILE  40   5.880   1.410   4.406
  321    HB   ILE  40           HB       ILE  40   3.456   2.909   5.446
  322   1HG1  ILE  40          2HG1      ILE  40   3.873  -0.064   4.981
  323   2HG1  ILE  40          3HG1      ILE  40   4.330   0.684   6.511
  324   1HG2  ILE  40          1HG2      ILE  40   3.282   2.966   3.004
  325   2HG2  ILE  40          2HG2      ILE  40   3.781   1.260   2.886
  326   3HG2  ILE  40          3HG2      ILE  40   2.213   1.695   3.582
  327   1HD1  ILE  40          1HD1      ILE  40   2.003   1.395   6.876
  328   2HD1  ILE  40          2HD1      ILE  40   1.535   0.542   5.380
  329   3HD1  ILE  40          3HD1      ILE  40   2.211  -0.366   6.749
  330    H    THR  41           H        THR  41   6.640   2.042   2.586
  331    HA   THR  41           HA       THR  41   6.457   4.919   1.764
  332    HB   THR  41           HB       THR  41   8.753   2.981   1.282
  333    HG1  THR  41           1HG      THR  41   8.483   4.059   3.364
  334   1HG2  THR  41          1HG2      THR  41   8.492   4.474  -0.659
  335   2HG2  THR  41          2HG2      THR  41   8.363   5.887   0.416
  336   3HG2  THR  41          3HG2      THR  41   9.886   4.979   0.306
  337    H    VAL  42           H        VAL  42   5.377   5.203  -0.041
  338    HA   VAL  42           HA       VAL  42   5.219   3.025  -2.075
  339    HB   VAL  42           HB       VAL  42   3.152   5.190  -1.511
  340   1HG1  VAL  42          1HG1      VAL  42   3.225   4.778  -3.896
  341   2HG1  VAL  42          2HG1      VAL  42   3.351   3.022  -3.654
  342   3HG1  VAL  42          3HG1      VAL  42   1.849   3.871  -3.267
  343   1HG2  VAL  42          1HG2      VAL  42   2.867   2.177  -1.246
  344   2HG2  VAL  42          2HG2      VAL  42   3.058   3.290   0.128
  345   3HG2  VAL  42          3HG2      VAL  42   1.634   3.404  -0.904
  346    H    LEU  43           H        LEU  43   6.141   3.554  -3.943
  347    HA   LEU  43           HA       LEU  43   6.668   6.423  -4.585
  348   1HB   LEU  43          2HB       LEU  43   8.381   4.052  -5.385
  349   2HB   LEU  43          3HB       LEU  43   8.656   5.727  -5.825
  350    HG   LEU  43           HG       LEU  43   8.749   4.635  -2.986
  351   1HD1  LEU  43          1HD1      LEU  43  10.586   3.783  -4.384
  352   2HD1  LEU  43          2HD1      LEU  43  11.008   5.443  -4.859
  353   3HD1  LEU  43          3HD1      LEU  43  11.183   4.923  -3.167
  354   1HD2  LEU  43          1HD2      LEU  43   9.516   7.377  -4.079
  355   2HD2  LEU  43          2HD2      LEU  43   8.163   7.020  -2.981
  356   3HD2  LEU  43          3HD2      LEU  43   9.822   6.803  -2.424
  357    H    VAL  44           H        VAL  44   6.117   7.068  -6.566
  358    HA   VAL  44           HA       VAL  44   5.125   5.132  -8.546
  359    HB   VAL  44           HB       VAL  44   3.115   5.593  -7.358
  360   1HG1  VAL  44          1HG1      VAL  44   2.134   7.816  -7.074
  361   2HG1  VAL  44          2HG1      VAL  44   3.623   7.643  -6.155
  362   3HG1  VAL  44          3HG1      VAL  44   3.634   8.567  -7.677
  363   1HG2  VAL  44          1HG2      VAL  44   3.097   7.311  -9.870
  364   2HG2  VAL  44          2HG2      VAL  44   3.045   5.542  -9.865
  365   3HG2  VAL  44          3HG2      VAL  44   1.722   6.465  -9.126
  366    H    GLU  45           H        GLU  45   5.693   5.651 -10.536
  367    HA   GLU  45           HA       GLU  45   6.945   8.309 -11.081
  368   1HB   GLU  45          2HB       GLU  45   8.204   5.571 -11.552
  369   2HB   GLU  45          3HB       GLU  45   8.869   7.119 -12.071
  370   1HG   GLU  45          2HG       GLU  45   9.049   7.802  -9.663
  371   2HG   GLU  45          3HG       GLU  45   8.518   6.182  -9.195
  372    H    TYR  46           H        TYR  46   7.206   8.771 -13.338
  373    HA   TYR  46           HA       TYR  46   5.972   6.914 -15.271
  374   1HB   TYR  46          2HB       TYR  46   4.247   8.593 -14.358
  375   2HB   TYR  46          3HB       TYR  46   5.128   9.825 -15.244
  376    HD1  TYR  46           HD1      TYR  46   2.541   7.434 -15.373
  377    HD2  TYR  46           HD2      TYR  46   5.571   9.238 -17.851
  378    HE1  TYR  46           HE1      TYR  46   1.287   6.739 -17.390
  379    HE2  TYR  46           HE2      TYR  46   4.341   8.484 -19.888
  380    HH   TYR  46           HH       TYR  46   1.280   6.666 -19.696
  381    H    THR  47           H        THR  47   7.762   6.550 -16.471
  382    HA   THR  47           HA       THR  47   8.999   8.893 -17.816
  383    HB   THR  47           HB       THR  47  10.666   6.774 -16.437
  384    HG1  THR  47           1HG      THR  47   9.653   9.065 -15.705
  385   1HG2  THR  47          1HG2      THR  47  11.712   7.349 -18.608
  386   2HG2  THR  47          2HG2      THR  47  11.483   9.083 -18.272
  387   3HG2  THR  47          3HG2      THR  47  12.593   8.115 -17.276
  388    H    ASP  48           H        ASP  48   7.801   8.459 -19.570
  389    HA   ASP  48           HA       ASP  48   7.029   7.556 -21.451
  390   1HB   ASP  48          2HB       ASP  48   9.554   7.212 -21.815
  391   2HB   ASP  48          3HB       ASP  48   9.247   5.505 -21.485
  392    H    GLU  49           H        GLU  49   7.710   5.211 -18.926
  393    HA   GLU  49           HA       GLU  49   5.040   3.972 -19.394
  394   1HB   GLU  49          2HB       GLU  49   6.887   2.466 -20.048
  395   2HB   GLU  49          3HB       GLU  49   7.611   2.633 -18.443
  396   1HG   GLU  49          2HG       GLU  49   5.734   1.489 -17.412
  397   2HG   GLU  49          3HG       GLU  49   4.807   1.541 -18.916
  398    H    LEU  50           H        LEU  50   3.994   3.250 -17.463
  399    HA   LEU  50           HA       LEU  50   4.334   5.012 -15.126
  400   1HB   LEU  50          2HB       LEU  50   2.097   4.747 -16.083
  401   2HB   LEU  50          3HB       LEU  50   2.239   2.993 -16.032
  402    HG   LEU  50           HG       LEU  50   2.225   3.052 -13.540
  403   1HD1  LEU  50          1HD1      LEU  50   3.065   5.377 -13.173
  404   2HD1  LEU  50          2HD1      LEU  50   1.545   6.008 -13.847
  405   3HD1  LEU  50          3HD1      LEU  50   1.541   5.065 -12.345
  406   1HD2  LEU  50          1HD2      LEU  50  -0.131   4.444 -14.870
  407   2HD2  LEU  50          2HD2      LEU  50   0.161   2.688 -14.811
  408   3HD2  LEU  50          3HD2      LEU  50  -0.156   3.580 -13.316
  409    H    LYS  51           H        LYS  51   5.267   4.355 -13.273
  410    HA   LYS  51           HA       LYS  51   5.632   1.432 -12.716
  411   1HB   LYS  51          2HB       LYS  51   7.664   2.270 -13.670
  412   2HB   LYS  51          3HB       LYS  51   7.625   3.721 -12.672
  413   1HG   LYS  51          2HG       LYS  51   8.073   2.415 -10.658
  414   2HG   LYS  51          3HG       LYS  51   8.028   0.901 -11.589
  415   1HD   LYS  51          2HD       LYS  51   9.957   1.617 -12.922
  416   2HD   LYS  51          3HD       LYS  51   9.978   3.199 -12.127
  417   1HE   LYS  51          2HE       LYS  51  10.387   0.544 -10.686
  418   2HE   LYS  51          3HE       LYS  51  11.703   1.580 -11.273
  419   1HZ   LYS  51          1HZ       LYS  51  10.826   3.372  -9.805
  420   2HZ   LYS  51          2HZ       LYS  51   9.649   2.363  -9.276
  421   3HZ   LYS  51          3HZ       LYS  51  11.106   1.947  -8.894
  422    H    VAL  52           H        VAL  52   5.483   0.818 -10.594
  423    HA   VAL  52           HA       VAL  52   5.024   2.819  -8.471
  424    HB   VAL  52           HB       VAL  52   3.152   0.475  -9.036
  425   1HG1  VAL  52          1HG1      VAL  52   3.429   0.678  -6.608
  426   2HG1  VAL  52          2HG1      VAL  52   3.182   2.437  -6.695
  427   3HG1  VAL  52          3HG1      VAL  52   1.855   1.315  -7.061
  428   1HG2  VAL  52          1HG2      VAL  52   2.595   3.468  -8.969
  429   2HG2  VAL  52          2HG2      VAL  52   2.629   2.458 -10.432
  430   3HG2  VAL  52          3HG2      VAL  52   1.386   2.191  -9.207
  431    H    ASP  53           H        ASP  53   5.905   2.217  -6.565
  432    HA   ASP  53           HA       ASP  53   6.944  -0.561  -6.199
  433   1HB   ASP  53          2HB       ASP  53   8.483   1.898  -5.319
  434   2HB   ASP  53          3HB       ASP  53   9.022   0.240  -5.385
  435    H    ILE  54           H        ILE  54   6.597  -1.325  -4.121
  436    HA   ILE  54           HA       ILE  54   5.743   0.630  -2.028
  437    HB   ILE  54           HB       ILE  54   4.480  -2.086  -2.500
  438   1HG1  ILE  54          2HG1      ILE  54   3.354   0.658  -3.204
  439   2HG1  ILE  54          3HG1      ILE  54   3.780  -0.621  -4.343
  440   1HG2  ILE  54          1HG2      ILE  54   4.535  -1.212  -0.134
  441   2HG2  ILE  54          2HG2      ILE  54   3.619   0.196  -0.682
  442   3HG2  ILE  54          3HG2      ILE  54   2.941  -1.447  -0.823
  443   1HD1  ILE  54          1HD1      ILE  54   2.030  -2.091  -3.279
  444   2HD1  ILE  54          2HD1      ILE  54   1.495  -0.678  -2.337
  445   3HD1  ILE  54          3HD1      ILE  54   1.414  -0.654  -4.115
  446    H    SER  55           H        SER  55   6.795   0.415  -0.164
  447    HA   SER  55           HA       SER  55   7.869  -2.254   0.621
  448   1HB   SER  55          2HB       SER  55   9.373   0.384   0.742
  449   2HB   SER  55          3HB       SER  55   9.853  -1.084   1.629
  450    HG   SER  55           HG       SER  55   9.250  -1.434  -1.050
  451    H    ALA  56           H        ALA  56   7.362  -2.821   2.664
  452    HA   ALA  56           HA       ALA  56   6.381  -0.760   4.549
  453   1HB   ALA  56          1HB       ALA  56   4.410  -1.778   3.489
  454   2HB   ALA  56          2HB       ALA  56   5.011  -3.395   3.913
  455   3HB   ALA  56          3HB       ALA  56   4.531  -2.262   5.196
  456    H    GLU  57           H        GLU  57   6.881  -1.117   6.654
  457    HA   GLU  57           HA       GLU  57   8.436  -3.540   7.414
  458   1HB   GLU  57          2HB       GLU  57   9.251  -0.727   7.230
  459   2HB   GLU  57          3HB       GLU  57   9.407  -1.298   8.884
  460   1HG   GLU  57          2HG       GLU  57  10.575  -2.758   6.481
  461   2HG   GLU  57          3HG       GLU  57  11.422  -1.537   7.441
  462    H    LEU  58           H        LEU  58   8.481  -4.069   9.572
  463    HA   LEU  58           HA       LEU  58   6.070  -3.229  11.164
  464   1HB   LEU  58          2HB       LEU  58   6.805  -5.903  10.011
  465   2HB   LEU  58          3HB       LEU  58   6.278  -5.925  11.674
  466    HG   LEU  58           HG       LEU  58   4.523  -6.429  10.025
  467   1HD1  LEU  58          1HD1      LEU  58   3.924  -5.744  12.281
  468   2HD1  LEU  58          2HD1      LEU  58   3.971  -4.030  11.822
  469   3HD1  LEU  58          3HD1      LEU  58   2.756  -5.117  11.110
  470   1HD2  LEU  58          1HD2      LEU  58   5.240  -4.633   8.368
  471   2HD2  LEU  58          2HD2      LEU  58   3.503  -4.826   8.658
  472   3HD2  LEU  58          3HD2      LEU  58   4.393  -3.471   9.395
  473    H    TYR  59           H        TYR  59   7.035  -2.211  12.881
  474    HA   TYR  59           HA       TYR  59   9.232  -3.712  14.237
  475   1HB   TYR  59          2HB       TYR  59   8.504  -0.778  14.379
  476   2HB   TYR  59          3HB       TYR  59   9.780  -1.576  15.301
  477    HD1  TYR  59           HD1      TYR  59   9.525   0.598  12.671
  478    HD2  TYR  59           HD2      TYR  59  11.097  -3.376  13.385
  479    HE1  TYR  59           HE1      TYR  59  11.054   0.831  10.747
  480    HE2  TYR  59           HE2      TYR  59  12.521  -3.161  11.405
  481    HH   TYR  59           HH       TYR  59  12.661  -2.018   9.426
  482    H    LEU  60           H        LEU  60   8.426  -5.102  15.452
  483    HA   LEU  60           HA       LEU  60   5.885  -4.801  16.870
  484   1HB   LEU  60          2HB       LEU  60   7.837  -7.057  16.304
  485   2HB   LEU  60          3HB       LEU  60   6.538  -7.265  17.464
  486    HG   LEU  60           HG       LEU  60   6.006  -6.389  14.597
  487   1HD1  LEU  60          1HD1      LEU  60   7.095  -8.599  14.571
  488   2HD1  LEU  60          2HD1      LEU  60   5.930  -9.202  15.772
  489   3HD1  LEU  60          3HD1      LEU  60   5.381  -8.727  14.147
  490   1HD2  LEU  60          1HD2      LEU  60   4.204  -7.668  16.708
  491   2HD2  LEU  60          2HD2      LEU  60   4.198  -5.957  16.290
  492   3HD2  LEU  60          3HD2      LEU  60   3.726  -7.153  15.074
  493    H    ASP  61           H        ASP  61   5.591  -5.203  19.087
  494    HA   ASP  61           HA       ASP  61   7.608  -4.140  20.888
  495   1HB   ASP  61          2HB       ASP  61   5.154  -4.085  21.321
  496   2HB   ASP  61          3HB       ASP  61   5.162  -5.840  21.495
  497    H    GLU  62           H        GLU  62   8.804  -5.237  22.461
  498    HA   GLU  62           HA       GLU  62  10.293  -7.531  21.427
  499   1HB   GLU  62          2HB       GLU  62  10.444  -5.864  23.966
  500   2HB   GLU  62          3HB       GLU  62  11.553  -7.194  23.653
  501   1HG   GLU  62          2HG       GLU  62  11.266  -4.903  21.674
  502   2HG   GLU  62          3HG       GLU  62  12.316  -4.809  23.080
  503    H    LEU  63           H        LEU  63   7.398  -7.592  22.684
  504    HA   LEU  63           HA       LEU  63   7.654 -10.246  24.011
  505   1HB   LEU  63          2HB       LEU  63   5.847  -7.909  24.761
  506   2HB   LEU  63          3HB       LEU  63   5.739  -9.516  25.476
  507    HG   LEU  63           HG       LEU  63   8.191  -7.700  25.700
  508   1HD1  LEU  63          1HD1      LEU  63   6.258  -6.749  26.856
  509   2HD1  LEU  63          2HD1      LEU  63   5.986  -8.288  27.711
  510   3HD1  LEU  63          3HD1      LEU  63   7.464  -7.339  28.011
  511   1HD2  LEU  63          1HD2      LEU  63   7.461 -10.305  27.119
  512   2HD2  LEU  63          2HD2      LEU  63   8.780 -10.079  25.946
  513   3HD2  LEU  63          3HD2      LEU  63   8.853  -9.266  27.509
  514    H    SER  64           H        SER  64   6.644  -8.767  21.254
  515    HA   SER  64           HA       SER  64   4.068 -10.200  20.924
  516   1HB   SER  64          2HB       SER  64   5.675  -8.339  19.138
  517   2HB   SER  64          3HB       SER  64   4.137  -9.093  18.672
  518    HG   SER  64           HG       SER  64   3.986  -6.906  19.600
  519    H    ASP  65           H        ASP  65   3.789 -11.521  18.880
  520    HA   ASP  65           HA       ASP  65   6.077 -12.851  17.740
  521   1HB   ASP  65          2HB       ASP  65   5.883 -13.998  19.950
  522   2HB   ASP  65          3HB       ASP  65   4.206 -14.408  19.584
  523    H    ALA  66           H        ALA  66   5.402 -12.707  15.757
  524    HA   ALA  66           HA       ALA  66   2.622 -13.320  14.923
  525   1HB   ALA  66          1HB       ALA  66   3.066 -10.882  15.142
  526   2HB   ALA  66          2HB       ALA  66   4.410 -11.038  13.983
  527   3HB   ALA  66          3HB       ALA  66   2.743 -11.352  13.472
  528    H    ASP  67           H        ASP  67   2.665 -13.237  12.254
  529    HA   ASP  67           HA       ASP  67   4.074 -15.709  11.762
  530   1HB   ASP  67          2HB       ASP  67   2.268 -14.059   9.947
  531   2HB   ASP  67          3HB       ASP  67   2.842 -15.681   9.597
  532    HA   PRO  68           HA       PRO  68   7.555 -14.060   9.510
  533   1HB   PRO  68          2HB       PRO  68   8.591 -16.311   8.380
  534   2HB   PRO  68          3HB       PRO  68   8.484 -16.086  10.146
  535   1HG   PRO  68          2HG       PRO  68   6.495 -17.535   8.361
  536   2HG   PRO  68          3HG       PRO  68   7.309 -18.159   9.836
  537   1HD   PRO  68          2HD       PRO  68   4.827 -17.061   9.944
  538   2HD   PRO  68          3HD       PRO  68   6.018 -16.780  11.249
  539    H    GLY  69           H        GLY  69   5.292 -13.344   8.299
  540   1HA   GLY  69          2HA       GLY  69   6.074 -12.556   5.709
  541   2HA   GLY  69          3HA       GLY  69   4.954 -13.905   5.503
  542    H    ILE  70           H        ILE  70   4.308 -11.922   8.326
  543    HA   ILE  70           HA       ILE  70   1.679 -11.558   7.465
  544    HB   ILE  70           HB       ILE  70   2.841 -11.703   9.803
  545   1HG1  ILE  70          2HG1      ILE  70   0.484  -9.845   9.778
  546   2HG1  ILE  70          3HG1      ILE  70   0.329 -11.485   9.134
  547   1HG2  ILE  70          1HG2      ILE  70   4.123  -9.551   9.633
  548   2HG2  ILE  70          2HG2      ILE  70   2.579  -8.661   9.681
  549   3HG2  ILE  70          3HG2      ILE  70   3.084  -9.637  11.059
  550   1HD1  ILE  70          1HD1      ILE  70   1.080 -12.472  11.234
  551   2HD1  ILE  70          2HD1      ILE  70   1.369 -10.864  11.910
  552   3HD1  ILE  70          3HD1      ILE  70  -0.277 -11.385  11.554
  553    H    VAL  71           H        VAL  71   4.385  -9.464   6.982
  554    HA   VAL  71           HA       VAL  71   2.734  -7.147   6.233
  555    HB   VAL  71           HB       VAL  71   4.693  -6.737   7.454
  556   1HG1  VAL  71          1HG1      VAL  71   6.195  -8.598   6.776
  557   2HG1  VAL  71          2HG1      VAL  71   6.387  -7.852   5.177
  558   3HG1  VAL  71          3HG1      VAL  71   6.987  -7.028   6.622
  559   1HG2  VAL  71          1HG2      VAL  71   5.094  -5.735   4.615
  560   2HG2  VAL  71          2HG2      VAL  71   3.962  -5.049   5.806
  561   3HG2  VAL  71          3HG2      VAL  71   5.713  -4.984   6.089
  562    H    ASP  72           H        ASP  72   4.816  -9.622   4.600
  563    HA   ASP  72           HA       ASP  72   4.612  -8.717   1.983
  564   1HB   ASP  72          2HB       ASP  72   4.437 -11.616   2.897
  565   2HB   ASP  72          3HB       ASP  72   5.056 -11.008   1.366
  566    H    GLU  73           H        GLU  73   2.218 -10.547   3.896
  567    HA   GLU  73           HA       GLU  73   0.193 -10.823   1.890
  568   1HB   GLU  73          2HB       GLU  73  -0.046 -10.376   4.899
  569   2HB   GLU  73          3HB       GLU  73  -1.367 -10.859   3.831
  570   1HG   GLU  73          2HG       GLU  73  -0.387 -13.004   3.412
  571   2HG   GLU  73          3HG       GLU  73   1.103 -12.557   4.251
  572    H    ALA  74           H        ALA  74   0.968  -8.047   4.103
  573    HA   ALA  74           HA       ALA  74  -1.400  -6.534   3.373
  574   1HB   ALA  74          1HB       ALA  74  -0.037  -6.269   5.520
  575   2HB   ALA  74          2HB       ALA  74   1.219  -5.483   4.536
  576   3HB   ALA  74          3HB       ALA  74  -0.389  -4.766   4.645
  577    H    VAL  75           H        VAL  75   2.052  -6.543   2.300
  578    HA   VAL  75           HA       VAL  75   1.668  -4.327   0.509
  579    HB   VAL  75           HB       VAL  75   3.818  -6.370  -0.042
  580   1HG1  VAL  75          1HG1      VAL  75   3.366  -4.199  -1.385
  581   2HG1  VAL  75          2HG1      VAL  75   3.851  -3.342   0.080
  582   3HG1  VAL  75          3HG1      VAL  75   5.019  -4.388  -0.748
  583   1HG2  VAL  75          1HG2      VAL  75   3.690  -4.541   2.374
  584   2HG2  VAL  75          2HG2      VAL  75   4.326  -6.203   2.225
  585   3HG2  VAL  75          3HG2      VAL  75   5.250  -4.873   1.578
  586    H    ASP  76           H        ASP  76   1.681  -7.904  -0.129
  587    HA   ASP  76           HA       ASP  76   0.869  -7.800  -2.837
  588   1HB   ASP  76          2HB       ASP  76   1.685  -9.787  -1.617
  589   2HB   ASP  76          3HB       ASP  76   0.191  -9.818  -0.672
  590    H    ALA  77           H        ALA  77  -1.150  -7.489   0.152
  591    HA   ALA  77           HA       ALA  77  -3.676  -7.466  -1.272
  592   1HB   ALA  77          1HB       ALA  77  -3.546  -7.860   1.153
  593   2HB   ALA  77          2HB       ALA  77  -2.952  -6.206   1.403
  594   3HB   ALA  77          3HB       ALA  77  -4.584  -6.475   0.771
  595    H    ALA  78           H        ALA  78  -1.381  -4.820  -0.376
  596    HA   ALA  78           HA       ALA  78  -2.930  -2.760  -1.655
  597   1HB   ALA  78          1HB       ALA  78  -1.233  -2.289   0.000
  598   2HB   ALA  78          2HB       ALA  78   0.056  -2.886  -1.073
  599   3HB   ALA  78          3HB       ALA  78  -0.876  -1.437  -1.509
  600    H    TYR  79           H        TYR  79  -0.236  -4.838  -2.971
  601    HA   TYR  79           HA       TYR  79  -0.232  -3.633  -5.552
  602   1HB   TYR  79          2HB       TYR  79   0.472  -6.438  -4.613
  603   2HB   TYR  79          3HB       TYR  79   0.665  -5.924  -6.276
  604    HD1  TYR  79           HD1      TYR  79   2.471  -6.330  -3.292
  605    HD2  TYR  79           HD2      TYR  79   1.925  -3.563  -6.573
  606    HE1  TYR  79           HE1      TYR  79   4.782  -5.466  -2.974
  607    HE2  TYR  79           HE2      TYR  79   4.207  -2.646  -6.183
  608    HH   TYR  79           HH       TYR  79   6.316  -3.804  -3.550
  609    H    ARG  80           H        ARG  80  -2.175  -6.459  -4.410
  610    HA   ARG  80           HA       ARG  80  -3.633  -6.774  -6.895
  611   1HB   ARG  80          2HB       ARG  80  -4.263  -7.550  -4.019
  612   2HB   ARG  80          3HB       ARG  80  -5.250  -8.035  -5.403
  613   1HG   ARG  80          2HG       ARG  80  -3.469  -9.301  -6.397
  614   2HG   ARG  80          3HG       ARG  80  -2.268  -8.684  -5.264
  615   1HD   ARG  80          2HD       ARG  80  -4.636 -10.435  -4.494
  616   2HD   ARG  80          3HD       ARG  80  -2.964 -10.991  -4.749
  617    HE   ARG  80           HE       ARG  80  -2.734  -8.936  -2.922
  618   1HH1  ARG  80          1HH2      ARG  80  -3.871 -12.205  -3.020
  619   2HH1  ARG  80          2HH2      ARG  80  -3.615 -12.490  -1.323
  620   1HH2  ARG  80          1HH1      ARG  80  -2.535  -9.288  -0.665
  621   2HH2  ARG  80          2HH1      ARG  80  -2.854 -10.864  -0.033
  622    H    SER  81           H        SER  81  -4.172  -4.698  -4.063
  623    HA   SER  81           HA       SER  81  -6.738  -3.694  -4.943
  624   1HB   SER  81          2HB       SER  81  -4.710  -2.379  -3.107
  625   2HB   SER  81          3HB       SER  81  -6.411  -1.930  -3.308
  626    HG   SER  81           HG       SER  81  -5.314  -4.329  -2.238
  627    H    LEU  82           H        LEU  82  -3.355  -2.624  -5.546
  628    HA   LEU  82           HA       LEU  82  -4.048  -0.309  -7.053
  629   1HB   LEU  82          2HB       LEU  82  -1.776  -1.017  -6.067
  630   2HB   LEU  82          3HB       LEU  82  -1.578  -2.093  -7.401
  631    HG   LEU  82           HG       LEU  82  -0.468   0.265  -7.370
  632   1HD1  LEU  82          1HD1      LEU  82  -0.231  -1.243  -9.223
  633   2HD1  LEU  82          2HD1      LEU  82  -1.832  -0.820  -9.845
  634   3HD1  LEU  82          3HD1      LEU  82  -0.531   0.390  -9.838
  635   1HD2  LEU  82          1HD2      LEU  82  -3.105   1.111  -8.625
  636   2HD2  LEU  82          2HD2      LEU  82  -2.577   1.571  -6.993
  637   3HD2  LEU  82          3HD2      LEU  82  -1.641   2.083  -8.407
  638    H    GLU  83           H        GLU  83  -3.336  -3.689  -8.118
  639    HA   GLU  83           HA       GLU  83  -3.912  -3.321 -10.886
  640   1HB   GLU  83          2HB       GLU  83  -2.836  -5.292  -9.861
  641   2HB   GLU  83          3HB       GLU  83  -4.345  -5.729  -9.057
  642   1HG   GLU  83          2HG       GLU  83  -5.416  -6.138 -11.234
  643   2HG   GLU  83          3HG       GLU  83  -3.967  -5.571 -12.078
  644    H    SER  84           H        SER  84  -6.113  -4.114  -8.167
  645    HA   SER  84           HA       SER  84  -8.544  -4.200  -9.655
  646   1HB   SER  84          2HB       SER  84  -8.182  -3.349  -6.753
  647   2HB   SER  84          3HB       SER  84  -9.663  -3.935  -7.522
  648    HG   SER  84           HG       SER  84  -7.235  -5.389  -7.062
  649    H    PHE  85           H        PHE  85  -6.857  -1.411  -8.123
  650    HA   PHE  85           HA       PHE  85  -8.891   0.524  -8.632
  651   1HB   PHE  85          2HB       PHE  85  -6.997   0.726  -7.052
  652   2HB   PHE  85          3HB       PHE  85  -5.873   0.828  -8.391
  653    HD1  PHE  85           HD1      PHE  85  -7.693   2.704  -6.039
  654    HD2  PHE  85           HD2      PHE  85  -6.367   2.783 -10.136
  655    HE1  PHE  85           HE1      PHE  85  -7.713   5.195  -5.994
  656    HE2  PHE  85           HE2      PHE  85  -6.378   5.279 -10.083
  657    HZ   PHE  85           HZ       PHE  85  -7.055   6.473  -8.001
  658    H    LEU  86           H        LEU  86  -6.082  -0.509 -10.694
  659    HA   LEU  86           HA       LEU  86  -6.896   1.331 -12.828
  660   1HB   LEU  86          2HB       LEU  86  -4.941  -0.999 -12.734
  661   2HB   LEU  86          3HB       LEU  86  -5.386  -0.214 -14.224
  662    HG   LEU  86           HG       LEU  86  -3.355   0.761 -13.637
  663   1HD1  LEU  86          1HD1      LEU  86  -5.095   2.479 -14.279
  664   2HD1  LEU  86          2HD1      LEU  86  -5.296   2.834 -12.551
  665   3HD1  LEU  86          3HD1      LEU  86  -3.733   3.103 -13.333
  666   1HD2  LEU  86          1HD2      LEU  86  -4.367   1.331 -10.831
  667   2HD2  LEU  86          2HD2      LEU  86  -3.256   0.033 -11.308
  668   3HD2  LEU  86          3HD2      LEU  86  -2.763   1.724 -11.488
  669    H    ASP  87           H        ASP  87  -7.554  -2.151 -12.174
  670    HA   ASP  87           HA       ASP  87  -9.081  -2.672 -14.515
  671   1HB   ASP  87          2HB       ASP  87  -8.529  -4.403 -12.911
  672   2HB   ASP  87          3HB       ASP  87  -9.424  -3.583 -11.637
  673    H    GLY  88           H        GLY  88  -9.937  -0.933 -11.481
  674   1HA   GLY  88          2HA       GLY  88 -12.654  -0.361 -12.103
  675   2HA   GLY  88          3HA       GLY  88 -11.616   0.505 -10.963
  676    H    PHE  89           H        PHE  89  -9.994   0.802 -13.829
  677    HA   PHE  89           HA       PHE  89 -11.603   3.118 -14.812
  678   1HB   PHE  89          2HB       PHE  89  -8.662   3.083 -14.054
  679   2HB   PHE  89          3HB       PHE  89  -9.369   4.285 -15.125
  680    HD1  PHE  89           HD1      PHE  89 -11.693   5.319 -14.162
  681    HD2  PHE  89           HD2      PHE  89  -8.401   3.843 -11.804
  682    HE1  PHE  89           HE1      PHE  89 -12.400   6.775 -12.282
  683    HE2  PHE  89           HE2      PHE  89  -9.151   5.264  -9.908
  684    HZ   PHE  89           HZ       PHE  89 -11.121   6.742 -10.146
  685    H    ARG  90           H        ARG  90  -9.678   0.359 -15.745
  686    HA   ARG  90           HA       ARG  90 -10.231   1.127 -18.590
  687   1HB   ARG  90          2HB       ARG  90  -7.642  -0.209 -17.748
  688   2HB   ARG  90          3HB       ARG  90  -8.110   0.323 -19.342
  689   1HG   ARG  90          2HG       ARG  90  -6.705   2.020 -18.860
  690   2HG   ARG  90          3HG       ARG  90  -8.192   2.741 -18.262
  691   1HD   ARG  90          2HD       ARG  90  -6.385   3.092 -16.647
  692   2HD   ARG  90          3HD       ARG  90  -7.563   1.994 -15.944
  693    HE   ARG  90           HE       ARG  90  -6.118   0.181 -16.165
  694   1HH1  ARG  90          1HH2      ARG  90  -4.520   3.041 -17.419
  695   2HH1  ARG  90          2HH2      ARG  90  -2.954   2.275 -17.481
  696   1HH2  ARG  90          1HH1      ARG  90  -4.096  -0.776 -16.317
  697   2HH2  ARG  90          2HH1      ARG  90  -2.726   0.152 -16.842
  698    H    GLU  91           H        GLU  91 -10.241  -1.452 -16.235
  699    HA   GLU  91           HA       GLU  91 -10.587  -3.689 -16.369
  700   1HB   GLU  91          2HB       GLU  91 -12.657  -2.752 -17.610
  701   2HB   GLU  91          3HB       GLU  91 -11.893  -3.345 -19.082
  702   1HG   GLU  91          2HG       GLU  91 -11.863  -5.654 -18.063
  703   2HG   GLU  91          3HG       GLU  91 -12.669  -5.000 -16.638
  Start of MODEL   29
    1    H    MET   1           H1       MET   1 -12.126   5.286 -11.452
    2    HA   MET   1           HA       MET   1 -13.026   4.793 -13.693
    3   1HB   MET   1          2HB       MET   1 -15.512   6.020 -12.429
    4   2HB   MET   1          3HB       MET   1 -15.298   5.715 -14.155
    5   1HG   MET   1          2HG       MET   1 -15.084   3.304 -13.738
    6   2HG   MET   1          3HG       MET   1 -15.324   3.562 -12.007
    7   1HE   MET   1          1HE       MET   1 -17.556   4.068 -10.842
    8   2HE   MET   1          2HE       MET   1 -17.680   5.630 -11.690
    9   3HE   MET   1          3HE       MET   1 -19.058   4.512 -11.679
   10    H    SER   2           H        SER   2 -13.510   6.681 -15.234
   11    HA   SER   2           HA       SER   2 -12.844   8.676 -16.075
   12   1HB   SER   2          2HB       SER   2 -14.427   9.564 -13.650
   13   2HB   SER   2          3HB       SER   2 -14.174  10.489 -15.149
   14    HG   SER   2           HG       SER   2 -16.163   9.315 -15.154
   15    H    LEU   3           H        LEU   3 -10.549   7.943 -15.142
   16    HA   LEU   3           HA       LEU   3  -9.136   9.411 -13.248
   17   1HB   LEU   3          2HB       LEU   3  -8.349   8.310 -15.972
   18   2HB   LEU   3          3HB       LEU   3  -7.164   9.013 -14.883
   19    HG   LEU   3           HG       LEU   3  -8.924   6.664 -14.088
   20   1HD1  LEU   3          1HD1      LEU   3  -7.519   6.026 -15.997
   21   2HD1  LEU   3          2HD1      LEU   3  -6.075   6.676 -15.181
   22   3HD1  LEU   3          3HD1      LEU   3  -6.932   5.268 -14.512
   23   1HD2  LEU   3          1HD2      LEU   3  -6.336   7.776 -12.908
   24   2HD2  LEU   3          2HD2      LEU   3  -7.942   7.905 -12.169
   25   3HD2  LEU   3          3HD2      LEU   3  -7.173   6.322 -12.357
   26    H    ARG   4           H        ARG   4  -7.549  11.062 -13.457
   27    HA   ARG   4           HA       ARG   4  -8.417  13.376 -15.140
   28   1HB   ARG   4          2HB       ARG   4  -7.688  13.037 -12.242
   29   2HB   ARG   4          3HB       ARG   4  -7.039  14.466 -13.017
   30   1HG   ARG   4          2HG       ARG   4  -9.143  14.988 -11.958
   31   2HG   ARG   4          3HG       ARG   4  -9.264  15.189 -13.708
   32   1HD   ARG   4          2HD       ARG   4 -10.411  12.976 -13.856
   33   2HD   ARG   4          3HD       ARG   4 -10.352  12.841 -12.088
   34    HE   ARG   4           HE       ARG   4 -11.565  15.204 -12.318
   35   1HH1  ARG   4          1HH2      ARG   4 -12.378  12.181 -13.979
   36   2HH1  ARG   4          2HH2      ARG   4 -13.909  12.818 -14.529
   37   1HH2  ARG   4          1HH1      ARG   4 -13.599  15.872 -12.954
   38   2HH2  ARG   4          2HH1      ARG   4 -14.623  14.803 -13.863
   39    H    LYS   5           H        LYS   5  -6.434  15.046 -15.062
   40    HA   LYS   5           HA       LYS   5  -4.263  13.893 -16.659
   41   1HB   LYS   5          2HB       LYS   5  -4.638  16.649 -15.383
   42   2HB   LYS   5          3HB       LYS   5  -3.222  16.153 -16.301
   43   1HG   LYS   5          2HG       LYS   5  -4.539  17.424 -17.768
   44   2HG   LYS   5          3HG       LYS   5  -4.667  15.746 -18.302
   45   1HD   LYS   5          2HD       LYS   5  -6.936  15.583 -17.374
   46   2HD   LYS   5          3HD       LYS   5  -6.753  17.153 -16.573
   47   1HE   LYS   5          2HE       LYS   5  -8.113  17.451 -18.537
   48   2HE   LYS   5          3HE       LYS   5  -6.560  18.260 -18.781
   49   1HZ   LYS   5          1HZ       LYS   5  -5.846  16.343 -20.082
   50   2HZ   LYS   5          2HZ       LYS   5  -7.292  15.597 -19.857
   51   3HZ   LYS   5          3HZ       LYS   5  -7.212  16.989 -20.730
   52    H    LEU   6           H        LEU   6  -2.954  12.511 -15.633
   53    HA   LEU   6           HA       LEU   6  -2.808  12.402 -12.808
   54   1HB   LEU   6          2HB       LEU   6  -1.112  10.997 -14.911
   55   2HB   LEU   6          3HB       LEU   6  -1.151  10.580 -13.202
   56    HG   LEU   6           HG       LEU   6  -3.494  10.364 -15.136
   57   1HD1  LEU   6          1HD1      LEU   6  -1.724   8.678 -15.479
   58   2HD1  LEU   6          2HD1      LEU   6  -1.808   8.232 -13.760
   59   3HD1  LEU   6          3HD1      LEU   6  -3.199   7.946 -14.829
   60   1HD2  LEU   6          1HD2      LEU   6  -3.288   9.618 -12.181
   61   2HD2  LEU   6          2HD2      LEU   6  -4.372  10.837 -12.899
   62   3HD2  LEU   6          3HD2      LEU   6  -4.604   9.133 -13.270
   63    H    THR   7           H        THR   7  -1.854  13.786 -11.578
   64    HA   THR   7           HA       THR   7   1.041  14.374 -11.947
   65    HB   THR   7           HB       THR   7  -0.277  16.211 -12.946
   66    HG1  THR   7           1HG      THR   7   0.816  17.814 -11.806
   67   1HG2  THR   7          1HG2      THR   7  -2.284  16.190 -11.479
   68   2HG2  THR   7          2HG2      THR   7  -1.293  16.763 -10.122
   69   3HG2  THR   7          3HG2      THR   7  -1.521  17.783 -11.557
   70    H    GLU   8           H        GLU   8   1.345  16.003  -9.784
   71    HA   GLU   8           HA       GLU   8   1.924  14.255  -7.715
   72   1HB   GLU   8          2HB       GLU   8   1.274  17.221  -7.541
   73   2HB   GLU   8          3HB       GLU   8   2.095  16.288  -6.281
   74   1HG   GLU   8          2HG       GLU   8   3.963  15.794  -7.789
   75   2HG   GLU   8          3HG       GLU   8   3.157  16.623  -9.124
   76    H    GLY   9           H        GLY   9  -1.188  15.995  -8.096
   77   1HA   GLY   9          2HA       GLY   9  -2.243  15.291  -5.508
   78   2HA   GLY   9          3HA       GLY   9  -3.169  15.829  -6.917
   79    H    ASP  10           H        ASP  10  -2.863  13.827  -8.803
   80    HA   ASP  10           HA       ASP  10  -4.565  11.742  -7.872
   81   1HB   ASP  10          2HB       ASP  10  -2.681  11.455 -10.241
   82   2HB   ASP  10          3HB       ASP  10  -4.305  10.816 -10.041
   83    H    LEU  11           H        LEU  11  -1.060  11.929  -8.430
   84    HA   LEU  11           HA       LEU  11  -0.444   9.208  -7.732
   85   1HB   LEU  11          2HB       LEU  11   1.117  11.756  -8.136
   86   2HB   LEU  11          3HB       LEU  11   1.915  10.349  -7.490
   87    HG   LEU  11           HG       LEU  11   1.542   9.058  -9.431
   88   1HD1  LEU  11          1HD1      LEU  11  -0.734   9.570 -10.122
   89   2HD1  LEU  11          2HD1      LEU  11  -0.215  11.183 -10.676
   90   3HD1  LEU  11          3HD1      LEU  11   0.396   9.720 -11.469
   91   1HD2  LEU  11          1HD2      LEU  11   2.241  11.856 -10.376
   92   2HD2  LEU  11          2HD2      LEU  11   3.355  10.726  -9.574
   93   3HD2  LEU  11          3HD2      LEU  11   2.690  10.329 -11.168
   94    H    ASP  12           H        ASP  12  -0.368  12.247  -5.708
   95    HA   ASP  12           HA       ASP  12   0.418  10.917  -3.317
   96   1HB   ASP  12          2HB       ASP  12   0.412  13.341  -3.521
   97   2HB   ASP  12          3HB       ASP  12  -1.346  13.361  -3.723
   98    H    GLU  13           H        GLU  13  -2.911  11.556  -4.640
   99    HA   GLU  13           HA       GLU  13  -4.324  10.357  -2.516
  100   1HB   GLU  13          2HB       GLU  13  -5.300  11.805  -4.273
  101   2HB   GLU  13          3HB       GLU  13  -5.102  10.509  -5.461
  102   1HG   GLU  13          2HG       GLU  13  -6.645   9.071  -4.133
  103   2HG   GLU  13          3HG       GLU  13  -6.809  10.359  -2.935
  104    H    ILE  14           H        ILE  14  -3.171   8.806  -5.567
  105    HA   ILE  14           HA       ILE  14  -4.097   6.169  -4.865
  106    HB   ILE  14           HB       ILE  14  -1.970   7.189  -6.754
  107   1HG1  ILE  14          2HG1      ILE  14  -4.691   5.888  -7.289
  108   2HG1  ILE  14          3HG1      ILE  14  -4.472   7.625  -7.169
  109   1HG2  ILE  14          1HG2      ILE  14  -1.273   4.917  -6.130
  110   2HG2  ILE  14          2HG2      ILE  14  -2.919   4.305  -6.402
  111   3HG2  ILE  14          3HG2      ILE  14  -1.927   4.886  -7.757
  112   1HD1  ILE  14          1HD1      ILE  14  -2.900   7.572  -9.108
  113   2HD1  ILE  14          2HD1      ILE  14  -3.259   5.835  -9.305
  114   3HD1  ILE  14          3HD1      ILE  14  -4.550   7.027  -9.489
  115    H    SER  15           H        SER  15  -0.883   7.783  -4.293
  116    HA   SER  15           HA       SER  15   0.276   5.603  -2.915
  117   1HB   SER  15          2HB       SER  15   1.901   7.089  -2.150
  118   2HB   SER  15          3HB       SER  15   1.371   7.805  -3.669
  119    HG   SER  15           HG       SER  15  -0.107   9.128  -2.204
  120    H    SER  16           H        SER  16  -1.909   8.120  -1.687
  121    HA   SER  16           HA       SER  16  -1.819   7.320   1.068
  122   1HB   SER  16          2HB       SER  16  -2.509   9.559   0.245
  123   2HB   SER  16          3HB       SER  16  -3.977   8.841  -0.449
  124    HG   SER  16           HG       SER  16  -4.246   9.729   1.671
  125    H    PHE  17           H        PHE  17  -4.093   6.502  -1.644
  126    HA   PHE  17           HA       PHE  17  -5.799   4.771  -0.133
  127   1HB   PHE  17          2HB       PHE  17  -6.441   5.473  -2.330
  128   2HB   PHE  17          3HB       PHE  17  -4.956   4.876  -3.047
  129    HD1  PHE  17           HD1      PHE  17  -4.801   2.681  -3.931
  130    HD2  PHE  17           HD2      PHE  17  -8.086   3.711  -1.333
  131    HE1  PHE  17           HE1      PHE  17  -5.863   0.483  -4.399
  132    HE2  PHE  17           HE2      PHE  17  -9.146   1.516  -1.812
  133    HZ   PHE  17           HZ       PHE  17  -8.033  -0.098  -3.344
  134    H    LEU  18           H        LEU  18  -2.720   4.070  -1.855
  135    HA   LEU  18           HA       LEU  18  -2.657   1.289  -1.140
  136   1HB   LEU  18          2HB       LEU  18  -0.517   3.286  -1.966
  137   2HB   LEU  18          3HB       LEU  18  -0.171   1.576  -1.709
  138    HG   LEU  18           HG       LEU  18  -2.271   2.561  -3.697
  139   1HD1  LEU  18          1HD1      LEU  18  -0.101   3.425  -4.370
  140   2HD1  LEU  18          2HD1      LEU  18   0.643   1.822  -4.175
  141   3HD1  LEU  18          3HD1      LEU  18  -0.577   2.105  -5.440
  142   1HD2  LEU  18          1HD2      LEU  18  -0.900  -0.133  -3.336
  143   2HD2  LEU  18          2HD2      LEU  18  -2.615   0.230  -3.037
  144   3HD2  LEU  18          3HD2      LEU  18  -1.971   0.316  -4.670
  145    H    HIS  19           H        HIS  19  -0.988   4.116   0.450
  146    HA   HIS  19           HA       HIS  19   0.161   2.590   2.542
  147   1HB   HIS  19          2HB       HIS  19   0.926   4.817   2.273
  148   2HB   HIS  19          3HB       HIS  19  -0.710   5.478   2.307
  149    HD1  HIS  19           HD1      HIS  19  -0.798   6.931   4.440
  150    HD2  HIS  19           HD2      HIS  19   0.836   3.112   5.015
  151    HE1  HIS  19           HE1      HIS  19  -0.593   6.597   6.966
  152    H    ASN  20           H        ASN  20  -3.061   4.260   2.512
  153    HA   ASN  20           HA       ASN  20  -3.761   3.372   5.155
  154   1HB   ASN  20          2HB       ASN  20  -5.441   4.303   2.797
  155   2HB   ASN  20          3HB       ASN  20  -6.140   3.805   4.338
  156   1HD2  ASN  20          2HD2      ASN  20  -4.245   6.332   2.753
  157   2HD2  ASN  20          1HD2      ASN  20  -4.379   7.444   4.119
  158    H    THR  21           H        THR  21  -4.216   1.791   1.950
  159    HA   THR  21           HA       THR  21  -5.730  -0.420   2.912
  160    HB   THR  21           HB       THR  21  -3.727  -0.354   0.616
  161    HG1  THR  21           1HG      THR  21  -5.311   1.135   0.246
  162   1HG2  THR  21          1HG2      THR  21  -4.272  -2.675   1.138
  163   2HG2  THR  21          2HG2      THR  21  -6.004  -2.274   1.258
  164   3HG2  THR  21          3HG2      THR  21  -5.166  -2.177  -0.303
  165    H    ILE  22           H        ILE  22  -2.125  -0.063   2.676
  166    HA   ILE  22           HA       ILE  22  -1.571  -2.665   3.815
  167    HB   ILE  22           HB       ILE  22   0.103  -0.133   3.848
  168   1HG1  ILE  22          2HG1      ILE  22   0.105  -2.487   1.924
  169   2HG1  ILE  22          3HG1      ILE  22  -0.421  -0.844   1.565
  170   1HG2  ILE  22          1HG2      ILE  22   0.806  -2.079   5.485
  171   2HG2  ILE  22          2HG2      ILE  22   1.234  -2.952   3.993
  172   3HG2  ILE  22          3HG2      ILE  22   2.021  -1.442   4.392
  173   1HD1  ILE  22          1HD1      ILE  22   2.027  -0.199   2.337
  174   2HD1  ILE  22          2HD1      ILE  22   2.343  -1.907   1.944
  175   3HD1  ILE  22          3HD1      ILE  22   1.668  -0.804   0.694
  176    H    SER  23           H        SER  23  -1.786   0.623   5.336
  177    HA   SER  23           HA       SER  23  -1.220  -0.260   7.972
  178   1HB   SER  23          2HB       SER  23  -2.703   2.157   6.898
  179   2HB   SER  23          3HB       SER  23  -2.343   1.919   8.627
  180    HG   SER  23           HG       SER  23  -0.660   3.062   7.173
  181    H    ASP  24           H        ASP  24  -4.451   0.087   6.363
  182    HA   ASP  24           HA       ASP  24  -5.956  -0.908   8.602
  183   1HB   ASP  24          2HB       ASP  24  -6.512  -0.856   5.606
  184   2HB   ASP  24          3HB       ASP  24  -7.661  -1.453   6.798
  185    H    PHE  25           H        PHE  25  -4.381  -2.629   5.807
  186    HA   PHE  25           HA       PHE  25  -5.317  -5.201   6.591
  187   1HB   PHE  25          2HB       PHE  25  -4.227  -4.688   4.397
  188   2HB   PHE  25          3HB       PHE  25  -2.677  -4.561   5.222
  189    HD1  PHE  25           HD1      PHE  25  -1.696  -6.627   6.375
  190    HD2  PHE  25           HD2      PHE  25  -5.137  -6.811   3.786
  191    HE1  PHE  25           HE1      PHE  25  -1.453  -9.090   6.226
  192    HE2  PHE  25           HE2      PHE  25  -4.905  -9.279   3.663
  193    HZ   PHE  25           HZ       PHE  25  -3.076 -10.422   4.904
  194    H    ILE  26           H        ILE  26  -2.315  -3.435   7.617
  195    HA   ILE  26           HA       ILE  26  -1.346  -5.483   9.326
  196    HB   ILE  26           HB       ILE  26  -1.040  -2.469   9.176
  197   1HG1  ILE  26          2HG1      ILE  26   0.937  -4.743   8.651
  198   2HG1  ILE  26          3HG1      ILE  26  -0.062  -4.020   7.405
  199   1HG2  ILE  26          1HG2      ILE  26  -0.766  -2.962  11.511
  200   2HG2  ILE  26          2HG2      ILE  26   0.287  -4.353  11.154
  201   3HG2  ILE  26          3HG2      ILE  26   0.825  -2.687  10.822
  202   1HD1  ILE  26          1HD1      ILE  26   0.953  -1.773   7.940
  203   2HD1  ILE  26          2HD1      ILE  26   2.117  -2.626   8.981
  204   3HD1  ILE  26          3HD1      ILE  26   2.068  -2.974   7.253
  205    H    LEU  27           H        LEU  27  -3.532  -2.685  10.073
  206    HA   LEU  27           HA       LEU  27  -4.039  -3.476  12.763
  207   1HB   LEU  27          2HB       LEU  27  -5.292  -1.647  10.746
  208   2HB   LEU  27          3HB       LEU  27  -6.353  -2.188  12.021
  209    HG   LEU  27           HG       LEU  27  -5.299  -0.023  12.496
  210   1HD1  LEU  27          1HD1      LEU  27  -6.079  -1.529  14.320
  211   2HD1  LEU  27          2HD1      LEU  27  -4.423  -2.151  14.489
  212   3HD1  LEU  27          3HD1      LEU  27  -4.774  -0.438  14.807
  213   1HD2  LEU  27          1HD2      LEU  27  -2.671  -1.541  12.792
  214   2HD2  LEU  27          2HD2      LEU  27  -3.064  -0.384  11.503
  215   3HD2  LEU  27          3HD2      LEU  27  -2.966   0.165  13.182
  216    H    LYS  28           H        LYS  28  -5.491  -4.753   9.777
  217    HA   LYS  28           HA       LYS  28  -7.241  -6.472  11.421
  218   1HB   LYS  28          2HB       LYS  28  -8.472  -6.960   9.589
  219   2HB   LYS  28          3HB       LYS  28  -7.968  -5.313   9.263
  220   1HG   LYS  28          2HG       LYS  28  -7.113  -5.828   7.335
  221   2HG   LYS  28          3HG       LYS  28  -6.089  -7.120   7.984
  222   1HD   LYS  28          2HD       LYS  28  -9.018  -7.415   7.215
  223   2HD   LYS  28          3HD       LYS  28  -7.637  -7.837   6.184
  224   1HE   LYS  28          2HE       LYS  28  -6.831  -9.438   7.900
  225   2HE   LYS  28          3HE       LYS  28  -8.210  -9.049   8.923
  226   1HZ   LYS  28          1HZ       LYS  28  -9.667  -9.869   7.167
  227   2HZ   LYS  28          2HZ       LYS  28  -8.375 -10.240   6.218
  228   3HZ   LYS  28          3HZ       LYS  28  -8.613 -11.044   7.634
  229    H    ARG  29           H        ARG  29  -4.062  -6.677  10.843
  230    HA   ARG  29           HA       ARG  29  -4.123  -9.671  10.867
  231   1HB   ARG  29          2HB       ARG  29  -2.947  -8.143   8.965
  232   2HB   ARG  29          3HB       ARG  29  -1.635  -8.153  10.128
  233   1HG   ARG  29          2HG       ARG  29  -1.315  -9.917   8.538
  234   2HG   ARG  29          3HG       ARG  29  -1.745 -10.689  10.068
  235   1HD   ARG  29          2HD       ARG  29  -4.134 -10.086   8.459
  236   2HD   ARG  29          3HD       ARG  29  -2.972 -10.976   7.497
  237    HE   ARG  29           HE       ARG  29  -4.378 -11.912   9.926
  238   1HH1  ARG  29          1HH2      ARG  29  -1.848 -12.722   7.508
  239   2HH1  ARG  29          2HH2      ARG  29  -1.912 -14.384   7.884
  240   1HH2  ARG  29          1HH1      ARG  29  -4.297 -14.091  10.429
  241   2HH2  ARG  29          2HH1      ARG  29  -3.192 -15.128   9.572
  242    H    VAL  30           H        VAL  30  -2.596  -6.857  12.494
  243    HA   VAL  30           HA       VAL  30  -1.961  -8.574  14.833
  244    HB   VAL  30           HB       VAL  30   0.150  -6.802  13.532
  245   1HG1  VAL  30          1HG1      VAL  30   0.580  -7.062  15.903
  246   2HG1  VAL  30          2HG1      VAL  30   0.203  -8.805  15.834
  247   3HG1  VAL  30          3HG1      VAL  30   1.660  -8.182  15.072
  248   1HG2  VAL  30          1HG2      VAL  30  -0.036  -9.839  13.455
  249   2HG2  VAL  30          2HG2      VAL  30  -0.142  -8.730  12.066
  250   3HG2  VAL  30          3HG2      VAL  30   1.372  -8.879  12.950
  251    H    SER  31           H        SER  31  -1.538  -7.215  16.838
  252    HA   SER  31           HA       SER  31  -3.457  -5.014  16.654
  253   1HB   SER  31          2HB       SER  31  -3.547  -6.735  18.446
  254   2HB   SER  31          3HB       SER  31  -2.049  -6.075  19.123
  255    HG   SER  31           HG       SER  31  -4.605  -4.938  18.962
  256    H    ALA  32           H        ALA  32  -3.147  -2.883  16.762
  257    HA   ALA  32           HA       ALA  32  -0.760  -1.453  16.886
  258   1HB   ALA  32          1HB       ALA  32  -2.905  -0.470  16.277
  259   2HB   ALA  32          2HB       ALA  32  -3.504  -0.668  17.944
  260   3HB   ALA  32          3HB       ALA  32  -2.162   0.446  17.598
  261    H    LYS  33           H        LYS  33  -2.327  -3.124  19.550
  262    HA   LYS  33           HA       LYS  33  -0.952  -1.728  21.711
  263   1HB   LYS  33          2HB       LYS  33  -2.362  -4.431  21.608
  264   2HB   LYS  33          3HB       LYS  33  -1.807  -3.621  23.079
  265   1HG   LYS  33          2HG       LYS  33  -3.310  -1.708  22.632
  266   2HG   LYS  33          3HG       LYS  33  -3.893  -2.493  21.152
  267   1HD   LYS  33          2HD       LYS  33  -4.736  -4.402  22.478
  268   2HD   LYS  33          3HD       LYS  33  -4.177  -3.609  23.971
  269   1HE   LYS  33          2HE       LYS  33  -5.635  -1.664  23.489
  270   2HE   LYS  33          3HE       LYS  33  -6.176  -2.429  21.988
  271   1HZ   LYS  33          1HZ       LYS  33  -7.108  -4.228  23.312
  272   2HZ   LYS  33          2HZ       LYS  33  -6.605  -3.519  24.707
  273   3HZ   LYS  33          3HZ       LYS  33  -7.753  -2.789  23.781
  274    H    GLU  34           H        GLU  34   0.202  -3.992  19.427
  275    HA   GLU  34           HA       GLU  34   2.627  -4.509  21.117
  276   1HB   GLU  34          2HB       GLU  34   2.824  -6.712  20.062
  277   2HB   GLU  34          3HB       GLU  34   1.337  -6.569  21.016
  278   1HG   GLU  34          2HG       GLU  34   0.060  -6.115  18.973
  279   2HG   GLU  34          3HG       GLU  34   1.514  -6.280  17.978
  280    H    ILE  35           H        ILE  35   1.340  -3.592  17.985
  281    HA   ILE  35           HA       ILE  35   3.883  -3.454  16.580
  282    HB   ILE  35           HB       ILE  35   1.253  -1.974  16.210
  283   1HG1  ILE  35          2HG1      ILE  35   1.221  -4.542  15.910
  284   2HG1  ILE  35          3HG1      ILE  35   0.551  -3.534  14.639
  285   1HG2  ILE  35          1HG2      ILE  35   2.994  -0.674  15.138
  286   2HG2  ILE  35          2HG2      ILE  35   3.665  -2.116  14.348
  287   3HG2  ILE  35          3HG2      ILE  35   2.062  -1.508  13.890
  288   1HD1  ILE  35          1HD1      ILE  35   2.431  -3.901  13.237
  289   2HD1  ILE  35          2HD1      ILE  35   3.371  -4.662  14.547
  290   3HD1  ILE  35          3HD1      ILE  35   1.940  -5.474  13.874
  291    H    VAL  36           H        VAL  36   5.482  -2.226  17.315
  292    HA   VAL  36           HA       VAL  36   5.162   0.034  19.159
  293    HB   VAL  36           HB       VAL  36   7.489  -1.273  17.691
  294   1HG1  VAL  36          1HG1      VAL  36   8.092   1.050  17.698
  295   2HG1  VAL  36          2HG1      VAL  36   7.621   1.226  19.409
  296   3HG1  VAL  36          3HG1      VAL  36   9.019   0.220  18.952
  297   1HG2  VAL  36          1HG2      VAL  36   6.892  -0.930  20.660
  298   2HG2  VAL  36          2HG2      VAL  36   6.541  -2.389  19.716
  299   3HG2  VAL  36          3HG2      VAL  36   8.218  -1.870  19.936
  300    H    ASP  37           H        ASP  37   6.062  -0.426  15.714
  301    HA   ASP  37           HA       ASP  37   4.650   1.963  14.959
  302   1HB   ASP  37          2HB       ASP  37   7.093   2.657  15.871
  303   2HB   ASP  37          3HB       ASP  37   7.580   2.181  14.255
  304    H    ILE  38           H        ILE  38   5.218   2.478  12.522
  305    HA   ILE  38           HA       ILE  38   6.053   0.101  10.965
  306    HB   ILE  38           HB       ILE  38   4.120   0.442   9.369
  307   1HG1  ILE  38          2HG1      ILE  38   2.806   1.864  11.733
  308   2HG1  ILE  38          3HG1      ILE  38   3.245   2.597  10.190
  309   1HG2  ILE  38          1HG2      ILE  38   4.385  -1.485  10.876
  310   2HG2  ILE  38          2HG2      ILE  38   3.395  -0.660  12.097
  311   3HG2  ILE  38          3HG2      ILE  38   2.697  -1.118  10.528
  312   1HD1  ILE  38          1HD1      ILE  38   1.649   0.989   9.054
  313   2HD1  ILE  38          2HD1      ILE  38   1.090   0.510  10.674
  314   3HD1  ILE  38          3HD1      ILE  38   0.899   2.182  10.132
  315    H    ASP  39           H        ASP  39   7.086   0.554   9.124
  316    HA   ASP  39           HA       ASP  39   7.166   3.414   8.180
  317   1HB   ASP  39          2HB       ASP  39   9.237   1.207   7.943
  318   2HB   ASP  39          3HB       ASP  39   9.178   2.557   6.822
  319    H    ILE  40           H        ILE  40   5.980   3.706   6.369
  320    HA   ILE  40           HA       ILE  40   5.850   1.497   4.386
  321    HB   ILE  40           HB       ILE  40   3.466   3.096   5.380
  322   1HG1  ILE  40          2HG1      ILE  40   3.785   0.102   4.953
  323   2HG1  ILE  40          3HG1      ILE  40   4.231   0.848   6.494
  324   1HG2  ILE  40          1HG2      ILE  40   2.230   1.907   3.505
  325   2HG2  ILE  40          2HG2      ILE  40   3.392   3.083   2.910
  326   3HG2  ILE  40          3HG2      ILE  40   3.795   1.345   2.888
  327   1HD1  ILE  40          1HD1      ILE  40   1.933   1.644   6.794
  328   2HD1  ILE  40          2HD1      ILE  40   1.467   0.810   5.288
  329   3HD1  ILE  40          3HD1      ILE  40   2.074  -0.127   6.667
  330    H    THR  41           H        THR  41   6.597   2.100   2.547
  331    HA   THR  41           HA       THR  41   6.553   4.990   1.761
  332    HB   THR  41           HB       THR  41   8.758   2.968   1.215
  333    HG1  THR  41           1HG      THR  41   8.542   4.006   3.335
  334   1HG2  THR  41          1HG2      THR  41   8.520   4.546  -0.668
  335   2HG2  THR  41          2HG2      THR  41   8.497   5.920   0.463
  336   3HG2  THR  41          3HG2      THR  41   9.964   4.934   0.279
  337    H    VAL  42           H        VAL  42   5.452   5.334  -0.028
  338    HA   VAL  42           HA       VAL  42   5.202   3.174  -2.077
  339    HB   VAL  42           HB       VAL  42   3.217   5.410  -1.495
  340   1HG1  VAL  42          1HG1      VAL  42   3.299   4.981  -3.890
  341   2HG1  VAL  42          2HG1      VAL  42   3.308   3.225  -3.630
  342   3HG1  VAL  42          3HG1      VAL  42   1.863   4.174  -3.258
  343   1HG2  VAL  42          1HG2      VAL  42   2.837   2.405  -1.225
  344   2HG2  VAL  42          2HG2      VAL  42   3.042   3.525   0.142
  345   3HG2  VAL  42          3HG2      VAL  42   1.630   3.667  -0.906
  346    H    LEU  43           H        LEU  43   6.142   3.676  -3.929
  347    HA   LEU  43           HA       LEU  43   6.839   6.517  -4.543
  348   1HB   LEU  43          2HB       LEU  43   8.384   4.031  -5.316
  349   2HB   LEU  43          3HB       LEU  43   8.793   5.676  -5.772
  350    HG   LEU  43           HG       LEU  43   8.778   4.583  -2.934
  351   1HD1  LEU  43          1HD1      LEU  43  10.564   3.606  -4.321
  352   2HD1  LEU  43          2HD1      LEU  43  11.111   5.235  -4.776
  353   3HD1  LEU  43          3HD1      LEU  43  11.227   4.688  -3.086
  354   1HD2  LEU  43          1HD2      LEU  43  10.001   6.662  -2.348
  355   2HD2  LEU  43          2HD2      LEU  43   9.754   7.265  -4.003
  356   3HD2  LEU  43          3HD2      LEU  43   8.367   7.005  -2.919
  357    H    VAL  44           H        VAL  44   6.347   7.199  -6.532
  358    HA   VAL  44           HA       VAL  44   5.324   5.314  -8.543
  359    HB   VAL  44           HB       VAL  44   3.288   5.955  -7.468
  360   1HG1  VAL  44          1HG1      VAL  44   3.976   8.058  -6.366
  361   2HG1  VAL  44          2HG1      VAL  44   3.962   8.877  -7.942
  362   3HG1  VAL  44          3HG1      VAL  44   2.462   8.191  -7.254
  363   1HG2  VAL  44          1HG2      VAL  44   3.514   7.567 -10.040
  364   2HG2  VAL  44          2HG2      VAL  44   3.385   5.799  -9.980
  365   3HG2  VAL  44          3HG2      VAL  44   2.066   6.796  -9.350
  366    H    GLU  45           H        GLU  45   6.024   5.774 -10.507
  367    HA   GLU  45           HA       GLU  45   7.606   8.263 -10.951
  368   1HB   GLU  45          2HB       GLU  45   8.964   6.538  -9.797
  369   2HB   GLU  45          3HB       GLU  45   8.596   5.376 -11.073
  370   1HG   GLU  45          2HG       GLU  45   9.916   6.595 -12.671
  371   2HG   GLU  45          3HG       GLU  45  10.001   8.015 -11.617
  372    H    TYR  46           H        TYR  46   8.232   8.552 -13.205
  373    HA   TYR  46           HA       TYR  46   6.694   6.932 -15.158
  374   1HB   TYR  46          2HB       TYR  46   5.436   9.042 -14.368
  375   2HB   TYR  46          3HB       TYR  46   6.647   9.963 -15.255
  376    HD1  TYR  46           HD1      TYR  46   3.591   8.121 -15.441
  377    HD2  TYR  46           HD2      TYR  46   6.996   9.316 -17.790
  378    HE1  TYR  46           HE1      TYR  46   2.431   7.346 -17.498
  379    HE2  TYR  46           HE2      TYR  46   5.851   8.504 -19.845
  380    HH   TYR  46           HH       TYR  46   4.262   6.924 -20.514
  381    H    THR  47           H        THR  47   8.166   6.162 -16.530
  382    HA   THR  47           HA       THR  47  10.086   8.060 -17.759
  383    HB   THR  47           HB       THR  47  10.988   5.387 -16.655
  384    HG1  THR  47           1HG      THR  47  10.809   7.781 -15.645
  385   1HG2  THR  47          1HG2      THR  47  12.116   5.816 -18.821
  386   2HG2  THR  47          2HG2      THR  47  12.479   7.484 -18.314
  387   3HG2  THR  47          3HG2      THR  47  13.229   6.109 -17.476
  388    H    ASP  48           H        ASP  48   8.654   8.178 -19.420
  389    HA   ASP  48           HA       ASP  48   7.549   7.735 -21.303
  390   1HB   ASP  48          2HB       ASP  48   9.788   6.729 -21.962
  391   2HB   ASP  48          3HB       ASP  48   9.060   5.145 -21.666
  392    H    GLU  49           H        GLU  49   7.717   4.952 -19.153
  393    HA   GLU  49           HA       GLU  49   4.771   4.534 -19.393
  394   1HB   GLU  49          2HB       GLU  49   6.150   2.668 -20.239
  395   2HB   GLU  49          3HB       GLU  49   6.997   2.570 -18.692
  396   1HG   GLU  49          2HG       GLU  49   4.981   1.831 -17.564
  397   2HG   GLU  49          3HG       GLU  49   3.991   2.186 -18.985
  398    H    LEU  50           H        LEU  50   3.727   3.910 -17.397
  399    HA   LEU  50           HA       LEU  50   4.576   5.470 -15.048
  400   1HB   LEU  50          2HB       LEU  50   2.281   5.592 -16.011
  401   2HB   LEU  50          3HB       LEU  50   2.064   3.878 -15.765
  402    HG   LEU  50           HG       LEU  50   0.809   5.267 -14.216
  403   1HD1  LEU  50          1HD1      LEU  50   1.629   2.963 -13.516
  404   2HD1  LEU  50          2HD1      LEU  50   2.824   3.811 -12.506
  405   3HD1  LEU  50          3HD1      LEU  50   1.104   4.070 -12.234
  406   1HD2  LEU  50          1HD2      LEU  50   3.473   6.179 -13.070
  407   2HD2  LEU  50          2HD2      LEU  50   2.266   7.176 -13.923
  408   3HD2  LEU  50          3HD2      LEU  50   1.877   6.467 -12.355
  409    H    LYS  51           H        LYS  51   5.512   4.549 -13.286
  410    HA   LYS  51           HA       LYS  51   5.166   1.618 -12.796
  411   1HB   LYS  51          2HB       LYS  51   7.290   2.049 -13.921
  412   2HB   LYS  51          3HB       LYS  51   7.749   3.230 -12.709
  413   1HG   LYS  51          2HG       LYS  51   7.096   0.383 -11.866
  414   2HG   LYS  51          3HG       LYS  51   8.613   0.691 -12.697
  415   1HD   LYS  51          2HD       LYS  51   7.804   2.078 -10.107
  416   2HD   LYS  51          3HD       LYS  51   8.850   0.664 -10.229
  417   1HE   LYS  51          2HE       LYS  51  10.474   1.945 -11.573
  418   2HE   LYS  51          3HE       LYS  51   9.400   3.352 -11.564
  419   1HZ   LYS  51          1HZ       LYS  51   9.563   3.244  -9.070
  420   2HZ   LYS  51          2HZ       LYS  51  10.698   2.175  -9.178
  421   3HZ   LYS  51          3HZ       LYS  51  10.936   3.735  -9.892
  422    H    VAL  52           H        VAL  52   5.268   0.974 -10.627
  423    HA   VAL  52           HA       VAL  52   5.168   3.062  -8.520
  424    HB   VAL  52           HB       VAL  52   3.136   0.821  -8.915
  425   1HG1  VAL  52          1HG1      VAL  52   3.597   1.013  -6.509
  426   2HG1  VAL  52          2HG1      VAL  52   3.391   2.777  -6.585
  427   3HG1  VAL  52          3HG1      VAL  52   2.016   1.693  -6.872
  428   1HG2  VAL  52          1HG2      VAL  52   2.767   3.843  -8.815
  429   2HG2  VAL  52          2HG2      VAL  52   2.640   2.831 -10.271
  430   3HG2  VAL  52          3HG2      VAL  52   1.468   2.643  -8.966
  431    H    ASP  53           H        ASP  53   6.047   2.425  -6.609
  432    HA   ASP  53           HA       ASP  53   7.011  -0.377  -6.277
  433   1HB   ASP  53          2HB       ASP  53   8.630   1.872  -5.125
  434   2HB   ASP  53          3HB       ASP  53   9.120   0.267  -5.593
  435    H    ILE  54           H        ILE  54   6.623  -1.174  -4.187
  436    HA   ILE  54           HA       ILE  54   5.673   0.753  -2.112
  437    HB   ILE  54           HB       ILE  54   4.406  -1.955  -2.640
  438   1HG1  ILE  54          2HG1      ILE  54   3.328   0.802  -3.364
  439   2HG1  ILE  54          3HG1      ILE  54   3.735  -0.505  -4.481
  440   1HG2  ILE  54          1HG2      ILE  54   4.397  -1.080  -0.256
  441   2HG2  ILE  54          2HG2      ILE  54   3.506   0.331  -0.832
  442   3HG2  ILE  54          3HG2      ILE  54   2.811  -1.304  -0.972
  443   1HD1  ILE  54          1HD1      ILE  54   1.944  -1.920  -3.398
  444   2HD1  ILE  54          2HD1      ILE  54   1.439  -0.482  -2.478
  445   3HD1  ILE  54          3HD1      ILE  54   1.354  -0.484  -4.256
  446    H    SER  55           H        SER  55   6.688   0.509  -0.221
  447    HA   SER  55           HA       SER  55   7.656  -2.197   0.552
  448   1HB   SER  55          2HB       SER  55   9.283   0.361   0.728
  449   2HB   SER  55          3HB       SER  55   9.679  -1.147   1.591
  450    HG   SER  55           HG       SER  55   9.068  -1.498  -1.065
  451    H    ALA  56           H        ALA  56   7.246  -2.752   2.630
  452    HA   ALA  56           HA       ALA  56   6.395  -0.665   4.531
  453   1HB   ALA  56          1HB       ALA  56   4.334  -1.697   3.609
  454   2HB   ALA  56          2HB       ALA  56   4.924  -3.300   4.120
  455   3HB   ALA  56          3HB       ALA  56   4.548  -2.054   5.333
  456    H    GLU  57           H        GLU  57   6.972  -1.102   6.666
  457    HA   GLU  57           HA       GLU  57   8.219  -3.713   7.303
  458   1HB   GLU  57          2HB       GLU  57  10.056  -2.173   6.658
  459   2HB   GLU  57          3HB       GLU  57   9.522  -1.024   7.883
  460   1HG   GLU  57          2HG       GLU  57  11.471  -2.303   8.631
  461   2HG   GLU  57          3HG       GLU  57  10.090  -2.592   9.675
  462    H    LEU  58           H        LEU  58   8.187  -4.276   9.448
  463    HA   LEU  58           HA       LEU  58   5.953  -3.027  11.028
  464   1HB   LEU  58          2HB       LEU  58   6.643  -5.856  10.194
  465   2HB   LEU  58          3HB       LEU  58   5.775  -5.607  11.681
  466    HG   LEU  58           HG       LEU  58   4.403  -6.198   9.657
  467   1HD1  LEU  58          1HD1      LEU  58   3.419  -5.421  11.696
  468   2HD1  LEU  58          2HD1      LEU  58   3.705  -3.718  11.271
  469   3HD1  LEU  58          3HD1      LEU  58   2.555  -4.711  10.335
  470   1HD2  LEU  58          1HD2      LEU  58   4.594  -3.263   8.909
  471   2HD2  LEU  58          2HD2      LEU  58   5.442  -4.552   8.034
  472   3HD2  LEU  58          3HD2      LEU  58   3.677  -4.558   8.104
  473    H    TYR  59           H        TYR  59   6.915  -2.042  12.778
  474    HA   TYR  59           HA       TYR  59   9.111  -3.500  14.169
  475   1HB   TYR  59          2HB       TYR  59   7.988  -0.753  14.771
  476   2HB   TYR  59          3HB       TYR  59   9.411  -1.502  15.465
  477    HD1  TYR  59           HD1      TYR  59   8.093   0.459  12.717
  478    HD2  TYR  59           HD2      TYR  59  11.413  -2.022  13.906
  479    HE1  TYR  59           HE1      TYR  59   9.461   1.476  10.958
  480    HE2  TYR  59           HE2      TYR  59  12.796  -1.007  12.088
  481    HH   TYR  59           HH       TYR  59  11.499   1.621   9.939
  482    H    LEU  60           H        LEU  60   8.228  -5.142  15.270
  483    HA   LEU  60           HA       LEU  60   5.863  -4.742  17.027
  484   1HB   LEU  60          2HB       LEU  60   7.468  -7.145  16.077
  485   2HB   LEU  60          3HB       LEU  60   6.423  -7.279  17.485
  486    HG   LEU  60           HG       LEU  60   5.378  -6.294  14.801
  487   1HD1  LEU  60          1HD1      LEU  60   6.258  -8.575  14.506
  488   2HD1  LEU  60          2HD1      LEU  60   5.352  -9.127  15.933
  489   3HD1  LEU  60          3HD1      LEU  60   4.487  -8.577  14.478
  490   1HD2  LEU  60          1HD2      LEU  60   3.960  -7.530  17.217
  491   2HD2  LEU  60          2HD2      LEU  60   4.031  -5.794  16.887
  492   3HD2  LEU  60          3HD2      LEU  60   3.213  -6.850  15.754
  493    H    ASP  61           H        ASP  61   5.934  -5.067  19.253
  494    HA   ASP  61           HA       ASP  61   8.319  -4.373  20.673
  495   1HB   ASP  61          2HB       ASP  61   6.060  -4.131  21.626
  496   2HB   ASP  61          3HB       ASP  61   5.853  -5.891  21.616
  497    H    GLU  62           H        GLU  62   9.691  -5.637  21.973
  498    HA   GLU  62           HA       GLU  62  10.683  -7.971  20.559
  499   1HB   GLU  62          2HB       GLU  62  12.566  -7.864  22.090
  500   2HB   GLU  62          3HB       GLU  62  12.199  -6.289  21.403
  501   1HG   GLU  62          2HG       GLU  62  11.106  -5.589  23.506
  502   2HG   GLU  62          3HG       GLU  62  11.385  -7.191  24.200
  503    H    LEU  63           H        LEU  63   8.131  -7.996  22.377
  504    HA   LEU  63           HA       LEU  63   8.622 -10.673  23.601
  505   1HB   LEU  63          2HB       LEU  63   6.843  -8.412  24.592
  506   2HB   LEU  63          3HB       LEU  63   6.965 -10.001  25.337
  507    HG   LEU  63           HG       LEU  63   9.284  -8.019  25.128
  508   1HD1  LEU  63          1HD1      LEU  63   7.512  -7.180  26.581
  509   2HD1  LEU  63          2HD1      LEU  63   7.493  -8.716  27.485
  510   3HD1  LEU  63          3HD1      LEU  63   8.930  -7.663  27.525
  511   1HD2  LEU  63          1HD2      LEU  63   8.995 -10.636  26.675
  512   2HD2  LEU  63          2HD2      LEU  63  10.075 -10.347  25.290
  513   3HD2  LEU  63          3HD2      LEU  63  10.356  -9.495  26.807
  514    H    SER  64           H        SER  64   7.089  -9.250  21.013
  515    HA   SER  64           HA       SER  64   4.763 -11.131  21.141
  516   1HB   SER  64          2HB       SER  64   5.200  -8.540  19.741
  517   2HB   SER  64          3HB       SER  64   4.377  -9.803  18.806
  518    HG   SER  64           HG       SER  64   2.646  -9.127  19.874
  519    H    ASP  65           H        ASP  65   4.212 -12.210  19.024
  520    HA   ASP  65           HA       ASP  65   6.430 -13.246  17.470
  521   1HB   ASP  65          2HB       ASP  65   6.650 -14.479  19.620
  522   2HB   ASP  65          3HB       ASP  65   4.966 -14.995  19.501
  523    H    ALA  66           H        ALA  66   5.457 -13.012  15.626
  524    HA   ALA  66           HA       ALA  66   2.679 -13.928  15.120
  525   1HB   ALA  66          1HB       ALA  66   2.806 -11.455  15.428
  526   2HB   ALA  66          2HB       ALA  66   3.962 -11.367  14.079
  527   3HB   ALA  66          3HB       ALA  66   2.291 -11.912  13.800
  528    H    ASP  67           H        ASP  67   2.333 -13.843  12.504
  529    HA   ASP  67           HA       ASP  67   3.991 -15.976  11.742
  530   1HB   ASP  67          2HB       ASP  67   1.949 -14.512  10.037
  531   2HB   ASP  67          3HB       ASP  67   2.528 -16.157   9.815
  532    HA   PRO  68           HA       PRO  68   7.172 -13.839   9.542
  533   1HB   PRO  68          2HB       PRO  68   8.563 -15.912   8.460
  534   2HB   PRO  68          3HB       PRO  68   8.382 -15.695  10.222
  535   1HG   PRO  68          2HG       PRO  68   6.677 -17.442   8.408
  536   2HG   PRO  68          3HG       PRO  68   7.537 -17.923   9.910
  537   1HD   PRO  68          2HD       PRO  68   4.919 -17.211   9.953
  538   2HD   PRO  68          3HD       PRO  68   6.029 -16.725  11.271
  539    H    GLY  69           H        GLY  69   5.175 -13.083   8.272
  540   1HA   GLY  69          2HA       GLY  69   5.881 -12.751   5.504
  541   2HA   GLY  69          3HA       GLY  69   4.592 -13.948   5.644
  542    H    ILE  70           H        ILE  70   3.752 -12.020   8.189
  543    HA   ILE  70           HA       ILE  70   1.554 -10.850   7.006
  544    HB   ILE  70           HB       ILE  70   3.147 -10.472   9.538
  545   1HG1  ILE  70          2HG1      ILE  70   0.345 -11.504   8.892
  546   2HG1  ILE  70          3HG1      ILE  70   1.777 -12.493   9.093
  547   1HG2  ILE  70          1HG2      ILE  70   2.337  -8.229   9.184
  548   2HG2  ILE  70          2HG2      ILE  70   0.695  -8.827   8.850
  549   3HG2  ILE  70          3HG2      ILE  70   1.431  -8.992  10.467
  550   1HD1  ILE  70          1HD1      ILE  70   1.977 -11.652  11.459
  551   2HD1  ILE  70          2HD1      ILE  70   0.381 -10.885  11.240
  552   3HD1  ILE  70          3HD1      ILE  70   0.534 -12.634  11.116
  553    H    VAL  71           H        VAL  71   4.793  -9.453   7.163
  554    HA   VAL  71           HA       VAL  71   4.158  -6.776   6.315
  555    HB   VAL  71           HB       VAL  71   6.565  -8.477   5.634
  556   1HG1  VAL  71          1HG1      VAL  71   6.497  -6.457   4.277
  557   2HG1  VAL  71          2HG1      VAL  71   6.218  -5.453   5.719
  558   3HG1  VAL  71          3HG1      VAL  71   7.769  -6.282   5.486
  559   1HG2  VAL  71          1HG2      VAL  71   6.179  -6.692   8.055
  560   2HG2  VAL  71          2HG2      VAL  71   6.381  -8.455   8.071
  561   3HG2  VAL  71          3HG2      VAL  71   7.719  -7.415   7.574
  562    H    ASP  72           H        ASP  72   5.339  -9.586   4.437
  563    HA   ASP  72           HA       ASP  72   4.964  -8.537   1.844
  564   1HB   ASP  72          2HB       ASP  72   6.379 -10.501   2.513
  565   2HB   ASP  72          3HB       ASP  72   4.908 -11.453   2.727
  566    H    GLU  73           H        GLU  73   2.717 -10.437   3.927
  567    HA   GLU  73           HA       GLU  73   0.570 -10.625   2.049
  568   1HB   GLU  73          2HB       GLU  73   0.465 -10.217   5.066
  569   2HB   GLU  73          3HB       GLU  73  -0.916 -10.609   4.050
  570   1HG   GLU  73          2HG       GLU  73   0.030 -12.791   3.509
  571   2HG   GLU  73          3HG       GLU  73   1.419 -12.463   4.552
  572    H    ALA  74           H        ALA  74   1.564  -7.877   4.219
  573    HA   ALA  74           HA       ALA  74  -0.913  -6.422   3.732
  574   1HB   ALA  74          1HB       ALA  74   0.728  -6.080   5.686
  575   2HB   ALA  74          2HB       ALA  74   1.751  -5.187   4.526
  576   3HB   ALA  74          3HB       ALA  74   0.108  -4.626   4.885
  577    H    VAL  75           H        VAL  75   2.326  -6.409   2.247
  578    HA   VAL  75           HA       VAL  75   1.672  -4.260   0.408
  579    HB   VAL  75           HB       VAL  75   3.955  -6.224   0.024
  580   1HG1  VAL  75          1HG1      VAL  75   3.280  -4.373  -1.686
  581   2HG1  VAL  75          2HG1      VAL  75   3.786  -3.243  -0.448
  582   3HG1  VAL  75          3HG1      VAL  75   4.972  -4.370  -1.123
  583   1HG2  VAL  75          1HG2      VAL  75   3.765  -3.836   1.931
  584   2HG2  VAL  75          2HG2      VAL  75   4.310  -5.480   2.295
  585   3HG2  VAL  75          3HG2      VAL  75   5.319  -4.447   1.303
  586    H    ASP  76           H        ASP  76   1.849  -7.854   0.001
  587    HA   ASP  76           HA       ASP  76   0.922  -8.078  -2.646
  588   1HB   ASP  76          2HB       ASP  76   1.922  -9.833  -1.225
  589   2HB   ASP  76          3HB       ASP  76   0.459  -9.858  -0.230
  590    H    ALA  77           H        ALA  77  -1.020  -7.735   0.396
  591    HA   ALA  77           HA       ALA  77  -3.571  -7.805  -0.913
  592   1HB   ALA  77          1HB       ALA  77  -3.310  -8.083   1.509
  593   2HB   ALA  77          2HB       ALA  77  -2.712  -6.419   1.665
  594   3HB   ALA  77          3HB       ALA  77  -4.385  -6.718   1.149
  595    H    ALA  78           H        ALA  78  -1.383  -4.999  -0.129
  596    HA   ALA  78           HA       ALA  78  -3.053  -3.040  -1.334
  597   1HB   ALA  78          1HB       ALA  78  -1.204  -2.486   0.117
  598   2HB   ALA  78          2HB       ALA  78  -0.011  -3.034  -1.084
  599   3HB   ALA  78          3HB       ALA  78  -1.049  -1.640  -1.425
  600    H    TYR  79           H        TYR  79  -0.468  -5.073  -2.849
  601    HA   TYR  79           HA       TYR  79  -0.707  -3.963  -5.458
  602   1HB   TYR  79          2HB       TYR  79   0.146  -6.721  -4.489
  603   2HB   TYR  79          3HB       TYR  79   0.222  -6.232  -6.169
  604    HD1  TYR  79           HD1      TYR  79   1.364  -3.726  -6.452
  605    HD2  TYR  79           HD2      TYR  79   2.270  -6.659  -3.401
  606    HE1  TYR  79           HE1      TYR  79   3.643  -2.758  -6.190
  607    HE2  TYR  79           HE2      TYR  79   4.580  -5.780  -3.263
  608    HH   TYR  79           HH       TYR  79   6.018  -4.075  -3.877
  609    H    ARG  80           H        ARG  80  -2.495  -6.814  -4.046
  610    HA   ARG  80           HA       ARG  80  -4.091  -7.069  -6.470
  611   1HB   ARG  80          2HB       ARG  80  -4.600  -8.177  -3.695
  612   2HB   ARG  80          3HB       ARG  80  -5.626  -8.462  -5.116
  613   1HG   ARG  80          2HG       ARG  80  -3.428  -9.222  -6.315
  614   2HG   ARG  80          3HG       ARG  80  -2.762  -9.314  -4.683
  615   1HD   ARG  80          2HD       ARG  80  -4.982 -10.748  -4.222
  616   2HD   ARG  80          3HD       ARG  80  -4.992 -10.910  -5.981
  617    HE   ARG  80           HE       ARG  80  -3.066 -12.249  -5.874
  618   1HH1  ARG  80          1HH2      ARG  80  -3.604 -10.811  -2.684
  619   2HH1  ARG  80          2HH2      ARG  80  -2.083 -11.512  -2.094
  620   1HH2  ARG  80          1HH1      ARG  80  -1.104 -12.996  -4.883
  621   2HH2  ARG  80          2HH1      ARG  80  -0.822 -12.481  -3.235
  622    H    SER  81           H        SER  81  -4.515  -5.063  -3.566
  623    HA   SER  81           HA       SER  81  -7.146  -4.166  -4.245
  624   1HB   SER  81          2HB       SER  81  -6.876  -2.458  -2.726
  625   2HB   SER  81          3HB       SER  81  -5.789  -3.693  -2.093
  626    HG   SER  81           HG       SER  81  -4.063  -2.481  -3.276
  627    H    LEU  82           H        LEU  82  -3.917  -3.012  -5.343
  628    HA   LEU  82           HA       LEU  82  -4.923  -0.888  -6.955
  629   1HB   LEU  82          2HB       LEU  82  -2.573  -1.274  -6.029
  630   2HB   LEU  82          3HB       LEU  82  -2.336  -2.471  -7.286
  631    HG   LEU  82           HG       LEU  82  -2.630  -0.734  -9.023
  632   1HD1  LEU  82          1HD1      LEU  82  -4.094   0.891  -7.900
  633   2HD1  LEU  82          2HD1      LEU  82  -2.852   1.205  -6.669
  634   3HD1  LEU  82          3HD1      LEU  82  -2.585   1.678  -8.358
  635   1HD2  LEU  82          1HD2      LEU  82  -0.587  -0.014  -6.878
  636   2HD2  LEU  82          2HD2      LEU  82  -0.391  -1.252  -8.137
  637   3HD2  LEU  82          3HD2      LEU  82  -0.514   0.455  -8.591
  638    H    GLU  83           H        GLU  83  -3.983  -4.257  -7.759
  639    HA   GLU  83           HA       GLU  83  -4.653  -4.299 -10.518
  640   1HB   GLU  83          2HB       GLU  83  -3.417  -6.026  -9.259
  641   2HB   GLU  83          3HB       GLU  83  -4.862  -6.370  -8.309
  642   1HG   GLU  83          2HG       GLU  83  -5.997  -7.252 -10.318
  643   2HG   GLU  83          3HG       GLU  83  -4.548  -6.904 -11.276
  644    H    SER  84           H        SER  84  -6.737  -4.876  -7.646
  645    HA   SER  84           HA       SER  84  -9.166  -5.320  -9.140
  646   1HB   SER  84          2HB       SER  84  -8.891  -4.342  -6.269
  647   2HB   SER  84          3HB       SER  84 -10.289  -5.143  -7.005
  648    HG   SER  84           HG       SER  84  -7.707  -6.225  -6.444
  649    H    PHE  85           H        PHE  85  -7.604  -2.375  -7.910
  650    HA   PHE  85           HA       PHE  85  -9.934  -0.686  -8.207
  651   1HB   PHE  85          2HB       PHE  85  -8.100  -0.353  -6.590
  652   2HB   PHE  85          3HB       PHE  85  -6.962  -0.090  -7.896
  653    HD1  PHE  85           HD1      PHE  85  -7.155   2.016  -9.295
  654    HD2  PHE  85           HD2      PHE  85  -9.404   1.392  -5.677
  655    HE1  PHE  85           HE1      PHE  85  -7.404   4.474  -9.026
  656    HE2  PHE  85           HE2      PHE  85  -9.655   3.845  -5.410
  657    HZ   PHE  85           HZ       PHE  85  -8.642   5.390  -7.076
  658    H    LEU  86           H        LEU  86  -6.976  -1.196 -10.281
  659    HA   LEU  86           HA       LEU  86  -7.912   0.751 -12.193
  660   1HB   LEU  86          2HB       LEU  86  -5.744  -1.343 -12.377
  661   2HB   LEU  86          3HB       LEU  86  -6.231  -0.370 -13.752
  662    HG   LEU  86           HG       LEU  86  -4.395   0.759 -12.937
  663   1HD1  LEU  86          1HD1      LEU  86  -6.416   2.285 -13.252
  664   2HD1  LEU  86          2HD1      LEU  86  -6.571   2.328 -11.494
  665   3HD1  LEU  86          3HD1      LEU  86  -5.096   2.934 -12.260
  666   1HD2  LEU  86          1HD2      LEU  86  -5.439   0.623 -10.097
  667   2HD2  LEU  86          2HD2      LEU  86  -4.132  -0.355 -10.795
  668   3HD2  LEU  86          3HD2      LEU  86  -3.939   1.400 -10.644
  669    H    ASP  87           H        ASP  87  -8.657  -2.621 -11.881
  670    HA   ASP  87           HA       ASP  87 -10.138  -3.007 -14.292
  671   1HB   ASP  87          2HB       ASP  87  -9.300  -4.686 -12.547
  672   2HB   ASP  87          3HB       ASP  87 -10.644  -4.186 -11.528
  673    H    GLY  88           H        GLY  88 -10.694  -0.677 -11.955
  674   1HA   GLY  88          2HA       GLY  88 -13.406  -0.199 -13.074
  675   2HA   GLY  88          3HA       GLY  88 -13.124  -0.041 -11.330
  676    H    PHE  89           H        PHE  89 -10.487   0.885 -13.442
  677    HA   PHE  89           HA       PHE  89 -11.233   3.771 -13.324
  678   1HB   PHE  89          2HB       PHE  89  -8.975   2.489 -11.862
  679   2HB   PHE  89          3HB       PHE  89  -8.627   4.004 -12.663
  680    HD1  PHE  89           HD1      PHE  89  -9.487   6.088 -11.857
  681    HD2  PHE  89           HD2      PHE  89 -10.635   2.389 -10.017
  682    HE1  PHE  89           HE1      PHE  89 -10.561   7.357 -10.006
  683    HE2  PHE  89           HE2      PHE  89 -11.738   3.637  -8.171
  684    HZ   PHE  89           HZ       PHE  89 -11.700   6.129  -8.164
  685    H    ARG  90           H        ARG  90  -9.300   1.301 -14.965
  686    HA   ARG  90           HA       ARG  90  -8.691   3.326 -17.128
  687   1HB   ARG  90          2HB       ARG  90  -7.334   0.830 -16.128
  688   2HB   ARG  90          3HB       ARG  90  -7.045   1.424 -17.771
  689   1HG   ARG  90          2HG       ARG  90  -5.961   3.383 -16.984
  690   2HG   ARG  90          3HG       ARG  90  -6.468   3.105 -15.312
  691   1HD   ARG  90          2HD       ARG  90  -4.029   2.443 -15.920
  692   2HD   ARG  90          3HD       ARG  90  -5.004   1.271 -15.038
  693    HE   ARG  90           HE       ARG  90  -5.328  -0.071 -16.958
  694   1HH1  ARG  90          1HH2      ARG  90  -2.886   2.375 -17.599
  695   2HH1  ARG  90          2HH2      ARG  90  -2.551   1.741 -19.193
  696   1HH2  ARG  90          1HH1      ARG  90  -5.061  -0.664 -19.027
  697   2HH2  ARG  90          2HH1      ARG  90  -3.712  -0.040 -19.959
  698    H    GLU  91           H        GLU  91  -9.855   0.011 -16.485
  699    HA   GLU  91           HA       GLU  91 -11.044  -0.220 -19.159
  700   1HB   GLU  91          2HB       GLU  91 -10.026  -2.521 -19.336
  701   2HB   GLU  91          3HB       GLU  91  -8.972  -1.178 -19.692
  702   1HG   GLU  91          2HG       GLU  91  -8.854  -2.215 -16.868
  703   2HG   GLU  91          3HG       GLU  91  -8.329  -3.325 -18.121
  Start of MODEL   30
    1    H    MET   1           H1       MET   1 -17.030   8.158  -7.346
    2    HA   MET   1           HA       MET   1 -14.791   8.723  -6.797
    3   1HB   MET   1          2HB       MET   1 -14.502   5.712  -6.769
    4   2HB   MET   1          3HB       MET   1 -13.129   6.697  -7.281
    5   1HG   MET   1          2HG       MET   1 -14.570   6.957  -4.621
    6   2HG   MET   1          3HG       MET   1 -12.976   6.250  -4.912
    7   1HE   MET   1          1HE       MET   1 -12.909   8.221  -2.674
    8   2HE   MET   1          2HE       MET   1 -11.423   7.618  -3.453
    9   3HE   MET   1          3HE       MET   1 -11.621   9.354  -3.148
   10    H    SER   2           H        SER   2 -13.259   9.248  -8.432
   11    HA   SER   2           HA       SER   2 -13.080   7.879 -10.925
   12   1HB   SER   2          2HB       SER   2 -14.618  10.508 -10.920
   13   2HB   SER   2          3HB       SER   2 -13.768   9.886 -12.350
   14    HG   SER   2           HG       SER   2 -15.499   8.164 -10.948
   15    H    LEU   3           H        LEU   3 -10.997   8.184 -11.495
   16    HA   LEU   3           HA       LEU   3  -9.322  10.218 -10.258
   17   1HB   LEU   3          2HB       LEU   3  -8.849   8.175 -12.472
   18   2HB   LEU   3          3HB       LEU   3  -7.584   9.172 -11.762
   19    HG   LEU   3           HG       LEU   3  -9.240   7.154 -10.182
   20   1HD1  LEU   3          1HD1      LEU   3  -7.847   6.053 -11.881
   21   2HD1  LEU   3          2HD1      LEU   3  -6.421   6.947 -11.311
   22   3HD1  LEU   3          3HD1      LEU   3  -7.214   5.758 -10.254
   23   1HD2  LEU   3          1HD2      LEU   3  -6.716   8.723  -9.464
   24   2HD2  LEU   3          2HD2      LEU   3  -8.321   8.928  -8.734
   25   3HD2  LEU   3          3HD2      LEU   3  -7.432   7.429  -8.482
   26    H    ARG   4           H        ARG   4  -7.860  11.578 -11.571
   27    HA   ARG   4           HA       ARG   4  -8.989  12.565 -14.165
   28   1HB   ARG   4          2HB       ARG   4  -7.645  14.115 -11.892
   29   2HB   ARG   4          3HB       ARG   4  -8.033  14.809 -13.461
   30   1HG   ARG   4          2HG       ARG   4 -10.091  13.726 -11.487
   31   2HG   ARG   4          3HG       ARG   4  -9.667  15.420 -11.736
   32   1HD   ARG   4          2HD       ARG   4 -10.344  15.151 -14.180
   33   2HD   ARG   4          3HD       ARG   4 -10.924  13.535 -13.776
   34    HE   ARG   4           HE       ARG   4 -12.788  14.417 -12.800
   35   1HH1  ARG   4          1HH2      ARG   4 -10.510  17.062 -13.090
   36   2HH1  ARG   4          2HH2      ARG   4 -11.703  18.285 -12.743
   37   1HH2  ARG   4          1HH1      ARG   4 -14.301  16.027 -12.379
   38   2HH2  ARG   4          2HH1      ARG   4 -13.811  17.693 -12.340
   39    H    LYS   5           H        LYS   5  -6.779  14.158 -14.827
   40    HA   LYS   5           HA       LYS   5  -4.964  12.254 -15.933
   41   1HB   LYS   5          2HB       LYS   5  -3.500  14.264 -16.394
   42   2HB   LYS   5          3HB       LYS   5  -5.086  14.215 -17.128
   43   1HG   LYS   5          2HG       LYS   5  -4.494  16.452 -16.470
   44   2HG   LYS   5          3HG       LYS   5  -5.942  15.921 -15.629
   45   1HD   LYS   5          2HD       LYS   5  -4.854  15.782 -13.553
   46   2HD   LYS   5          3HD       LYS   5  -3.236  15.725 -14.273
   47   1HE   LYS   5          2HE       LYS   5  -5.025  18.165 -14.542
   48   2HE   LYS   5          3HE       LYS   5  -4.043  17.894 -13.097
   49   1HZ   LYS   5          1HZ       LYS   5  -2.075  17.812 -14.470
   50   2HZ   LYS   5          2HZ       LYS   5  -2.953  18.041 -15.841
   51   3HZ   LYS   5          3HZ       LYS   5  -2.854  19.236 -14.712
   52    H    LEU   6           H        LEU   6  -3.128  11.311 -15.215
   53    HA   LEU   6           HA       LEU   6  -2.779  11.342 -12.356
   54   1HB   LEU   6          2HB       LEU   6  -1.184   9.921 -14.515
   55   2HB   LEU   6          3HB       LEU   6  -1.058   9.649 -12.780
   56    HG   LEU   6           HG       LEU   6  -3.465   9.067 -14.546
   57   1HD1  LEU   6          1HD1      LEU   6  -1.604   7.437 -14.619
   58   2HD1  LEU   6          2HD1      LEU   6  -1.691   7.260 -12.851
   59   3HD1  LEU   6          3HD1      LEU   6  -3.054   6.748 -13.869
   60   1HD2  LEU   6          1HD2      LEU   6  -3.249   8.860 -11.509
   61   2HD2  LEU   6          2HD2      LEU   6  -4.410   9.838 -12.449
   62   3HD2  LEU   6          3HD2      LEU   6  -4.512   8.083 -12.488
   63    H    THR   7           H        THR   7  -1.905  12.949 -11.349
   64    HA   THR   7           HA       THR   7   0.778  13.971 -12.006
   65    HB   THR   7           HB       THR   7  -0.949  15.273 -13.315
   66    HG1  THR   7           1HG      THR   7   1.167  16.256 -12.025
   67   1HG2  THR   7          1HG2      THR   7  -2.793  15.343 -11.671
   68   2HG2  THR   7          2HG2      THR   7  -1.804  16.339 -10.587
   69   3HG2  THR   7          3HG2      THR   7  -2.280  16.973 -12.155
   70    H    GLU   8           H        GLU   8   0.821  15.987 -10.267
   71    HA   GLU   8           HA       GLU   8   1.478  14.725  -7.876
   72   1HB   GLU   8          2HB       GLU   8   1.369  17.662  -7.715
   73   2HB   GLU   8          3HB       GLU   8   2.700  16.551  -7.480
   74   1HG   GLU   8          2HG       GLU   8   1.723  17.885 -10.012
   75   2HG   GLU   8          3HG       GLU   8   3.283  18.055  -9.228
   76    H    GLY   9           H        GLY   9  -1.415  14.654  -8.365
   77   1HA   GLY   9          2HA       GLY   9  -2.369  15.269  -5.630
   78   2HA   GLY   9          3HA       GLY   9  -3.345  15.809  -7.022
   79    H    ASP  10           H        ASP  10  -3.552  13.900  -8.806
   80    HA   ASP  10           HA       ASP  10  -4.947  11.716  -7.700
   81   1HB   ASP  10          2HB       ASP  10  -3.553  12.063 -10.385
   82   2HB   ASP  10          3HB       ASP  10  -4.649  10.731 -10.003
   83    H    LEU  11           H        LEU  11  -1.477  11.885  -8.681
   84    HA   LEU  11           HA       LEU  11  -0.977   9.073  -8.139
   85   1HB   LEU  11          2HB       LEU  11   0.849  11.501  -8.401
   86   2HB   LEU  11          3HB       LEU  11   1.433   9.865  -8.206
   87    HG   LEU  11           HG       LEU  11  -0.289  10.803 -10.545
   88   1HD1  LEU  11          1HD1      LEU  11   1.981  11.792 -10.558
   89   2HD1  LEU  11          2HD1      LEU  11   2.686  10.165 -10.435
   90   3HD1  LEU  11          3HD1      LEU  11   1.756  10.633 -11.877
   91   1HD2  LEU  11          1HD2      LEU  11   1.072   8.154  -9.947
   92   2HD2  LEU  11          2HD2      LEU  11  -0.654   8.437 -10.256
   93   3HD2  LEU  11          3HD2      LEU  11   0.528   8.606 -11.565
   94    H    ASP  12           H        ASP  12  -0.830  12.030  -6.169
   95    HA   ASP  12           HA       ASP  12   0.369  10.765  -3.850
   96   1HB   ASP  12          2HB       ASP  12   0.429  13.213  -4.285
   97   2HB   ASP  12          3HB       ASP  12  -1.320  13.291  -4.061
   98    H    GLU  13           H        GLU  13  -3.040  11.479  -4.843
   99    HA   GLU  13           HA       GLU  13  -4.317  10.307  -2.609
  100   1HB   GLU  13          2HB       GLU  13  -5.348  11.719  -4.371
  101   2HB   GLU  13          3HB       GLU  13  -5.293  10.381  -5.502
  102   1HG   GLU  13          2HG       GLU  13  -6.733  10.276  -2.809
  103   2HG   GLU  13          3HG       GLU  13  -7.492  10.904  -4.263
  104    H    ILE  14           H        ILE  14  -3.288   8.707  -5.694
  105    HA   ILE  14           HA       ILE  14  -4.107   6.107  -4.823
  106    HB   ILE  14           HB       ILE  14  -2.144   7.031  -6.922
  107   1HG1  ILE  14          2HG1      ILE  14  -4.939   5.777  -7.067
  108   2HG1  ILE  14          3HG1      ILE  14  -4.614   7.495  -7.207
  109   1HG2  ILE  14          1HG2      ILE  14  -1.398   4.788  -6.226
  110   2HG2  ILE  14          2HG2      ILE  14  -3.062   4.171  -6.356
  111   3HG2  ILE  14          3HG2      ILE  14  -2.160   4.684  -7.800
  112   1HD1  ILE  14          1HD1      ILE  14  -4.962   6.653  -9.405
  113   2HD1  ILE  14          2HD1      ILE  14  -3.232   7.030  -9.265
  114   3HD1  ILE  14          3HD1      ILE  14  -3.808   5.340  -9.191
  115    H    SER  15           H        SER  15  -0.810   7.672  -4.526
  116    HA   SER  15           HA       SER  15   0.338   5.466  -3.094
  117   1HB   SER  15          2HB       SER  15   1.008   8.365  -3.397
  118   2HB   SER  15          3HB       SER  15   1.684   7.518  -1.994
  119    HG   SER  15           HG       SER  15   3.108   6.713  -3.313
  120    H    SER  16           H        SER  16  -1.654   8.208  -1.898
  121    HA   SER  16           HA       SER  16  -1.496   7.498   0.874
  122   1HB   SER  16          2HB       SER  16  -2.270   9.698  -0.020
  123   2HB   SER  16          3HB       SER  16  -3.746   8.915  -0.609
  124    HG   SER  16           HG       SER  16  -2.869   9.249   2.061
  125    H    PHE  17           H        PHE  17  -3.915   6.575  -1.663
  126    HA   PHE  17           HA       PHE  17  -5.536   4.914  -0.013
  127   1HB   PHE  17          2HB       PHE  17  -6.277   5.651  -2.187
  128   2HB   PHE  17          3HB       PHE  17  -4.900   4.912  -2.983
  129    HD1  PHE  17           HD1      PHE  17  -7.931   4.034  -0.946
  130    HD2  PHE  17           HD2      PHE  17  -5.051   2.731  -3.877
  131    HE1  PHE  17           HE1      PHE  17  -9.224   1.939  -1.290
  132    HE2  PHE  17           HE2      PHE  17  -6.353   0.641  -4.225
  133    HZ   PHE  17           HZ       PHE  17  -8.433   0.243  -2.933
  134    H    LEU  18           H        LEU  18  -2.596   4.120  -1.911
  135    HA   LEU  18           HA       LEU  18  -2.499   1.342  -1.206
  136   1HB   LEU  18          2HB       LEU  18  -0.435   3.395  -2.085
  137   2HB   LEU  18          3HB       LEU  18   0.008   1.717  -1.781
  138    HG   LEU  18           HG       LEU  18  -2.216   2.488  -3.728
  139   1HD1  LEU  18          1HD1      LEU  18   0.012   3.465  -4.429
  140   2HD1  LEU  18          2HD1      LEU  18   0.639   1.796  -4.500
  141   3HD1  LEU  18          3HD1      LEU  18  -0.694   2.301  -5.551
  142   1HD2  LEU  18          1HD2      LEU  18  -0.596  -0.041  -3.227
  143   2HD2  LEU  18          2HD2      LEU  18  -2.357   0.172  -3.051
  144   3HD2  LEU  18          3HD2      LEU  18  -1.599   0.232  -4.641
  145    H    HIS  19           H        HIS  19  -0.873   4.182   0.357
  146    HA   HIS  19           HA       HIS  19   0.319   2.701   2.461
  147   1HB   HIS  19          2HB       HIS  19   0.882   5.015   1.858
  148   2HB   HIS  19          3HB       HIS  19  -0.699   5.566   2.395
  149    HD1  HIS  19           HD1      HIS  19   1.026   7.187   3.917
  150    HD2  HIS  19           HD2      HIS  19   0.720   3.124   4.931
  151    HE1  HIS  19           HE1      HIS  19   1.910   6.950   6.305
  152    H    ASN  20           H        ASN  20  -2.927   4.348   2.419
  153    HA   ASN  20           HA       ASN  20  -3.644   3.422   5.018
  154   1HB   ASN  20          2HB       ASN  20  -4.836   5.093   3.158
  155   2HB   ASN  20          3HB       ASN  20  -5.919   3.702   3.132
  156   1HD2  ASN  20          2HD2      ASN  20  -6.607   2.891   5.638
  157   2HD2  ASN  20          1HD2      ASN  20  -6.815   4.302   6.648
  158    H    THR  21           H        THR  21  -4.028   1.836   1.811
  159    HA   THR  21           HA       THR  21  -5.616  -0.351   2.685
  160    HB   THR  21           HB       THR  21  -3.495  -0.295   0.492
  161    HG1  THR  21           1HG      THR  21  -5.108   1.194   0.109
  162   1HG2  THR  21          1HG2      THR  21  -4.064  -2.627   0.990
  163   2HG2  THR  21          2HG2      THR  21  -5.799  -2.231   0.960
  164   3HG2  THR  21          3HG2      THR  21  -4.824  -2.126  -0.522
  165    H    ILE  22           H        ILE  22  -2.008  -0.081   2.568
  166    HA   ILE  22           HA       ILE  22  -1.548  -2.677   3.761
  167    HB   ILE  22           HB       ILE  22   0.190  -0.188   3.732
  168   1HG1  ILE  22          2HG1      ILE  22   0.127  -2.601   1.876
  169   2HG1  ILE  22          3HG1      ILE  22  -0.410  -0.970   1.471
  170   1HG2  ILE  22          1HG2      ILE  22   0.873  -2.048   5.414
  171   2HG2  ILE  22          2HG2      ILE  22   1.214  -3.048   3.979
  172   3HG2  ILE  22          3HG2      ILE  22   2.093  -1.561   4.247
  173   1HD1  ILE  22          1HD1      ILE  22   2.037  -0.280   2.177
  174   2HD1  ILE  22          2HD1      ILE  22   2.361  -2.002   1.849
  175   3HD1  ILE  22          3HD1      ILE  22   1.654  -0.957   0.570
  176    H    SER  23           H        SER  23  -1.794   0.631   5.189
  177    HA   SER  23           HA       SER  23  -1.310  -0.106   7.880
  178   1HB   SER  23          2HB       SER  23  -1.402   2.213   7.040
  179   2HB   SER  23          3HB       SER  23  -3.159   2.075   6.835
  180    HG   SER  23           HG       SER  23  -3.364   1.831   9.056
  181    H    ASP  24           H        ASP  24  -4.544   0.120   6.209
  182    HA   ASP  24           HA       ASP  24  -6.077  -0.998   8.340
  183   1HB   ASP  24          2HB       ASP  24  -6.414  -0.909   5.322
  184   2HB   ASP  24          3HB       ASP  24  -7.542  -1.797   6.326
  185    H    PHE  25           H        PHE  25  -4.263  -2.646   5.673
  186    HA   PHE  25           HA       PHE  25  -5.273  -5.221   6.340
  187   1HB   PHE  25          2HB       PHE  25  -4.133  -4.487   4.212
  188   2HB   PHE  25          3HB       PHE  25  -2.591  -4.554   5.061
  189    HD1  PHE  25           HD1      PHE  25  -1.770  -6.770   5.940
  190    HD2  PHE  25           HD2      PHE  25  -5.231  -6.441   3.393
  191    HE1  PHE  25           HE1      PHE  25  -1.687  -9.185   5.507
  192    HE2  PHE  25           HE2      PHE  25  -5.177  -8.891   3.002
  193    HZ   PHE  25           HZ       PHE  25  -3.397 -10.272   4.053
  194    H    ILE  26           H        ILE  26  -2.216  -3.571   7.448
  195    HA   ILE  26           HA       ILE  26  -1.334  -5.682   9.127
  196    HB   ILE  26           HB       ILE  26  -0.854  -2.682   9.081
  197   1HG1  ILE  26          2HG1      ILE  26   0.994  -5.007   8.337
  198   2HG1  ILE  26          3HG1      ILE  26  -0.027  -4.191   7.160
  199   1HG2  ILE  26          1HG2      ILE  26  -0.492  -3.391  11.357
  200   2HG2  ILE  26          2HG2      ILE  26   0.392  -4.842  10.824
  201   3HG2  ILE  26          3HG2      ILE  26   1.087  -3.223  10.615
  202   1HD1  ILE  26          1HD1      ILE  26   1.082  -2.014   7.730
  203   2HD1  ILE  26          2HD1      ILE  26   2.221  -2.915   8.747
  204   3HD1  ILE  26          3HD1      ILE  26   2.165  -3.234   7.014
  205    H    LEU  27           H        LEU  27  -3.358  -2.763   9.879
  206    HA   LEU  27           HA       LEU  27  -3.783  -3.506  12.620
  207   1HB   LEU  27          2HB       LEU  27  -5.039  -1.576  10.667
  208   2HB   LEU  27          3HB       LEU  27  -5.893  -1.916  12.147
  209    HG   LEU  27           HG       LEU  27  -4.493   0.123  12.235
  210   1HD1  LEU  27          1HD1      LEU  27  -5.209  -1.087  14.277
  211   2HD1  LEU  27          2HD1      LEU  27  -3.677  -1.992  14.266
  212   3HD1  LEU  27          3HD1      LEU  27  -3.673  -0.228  14.477
  213   1HD2  LEU  27          1HD2      LEU  27  -2.084  -1.740  12.350
  214   2HD2  LEU  27          2HD2      LEU  27  -2.458  -0.611  11.030
  215   3HD2  LEU  27          3HD2      LEU  27  -2.091   0.008  12.638
  216    H    LYS  28           H        LYS  28  -5.057  -4.996   9.833
  217    HA   LYS  28           HA       LYS  28  -6.956  -6.533  11.556
  218   1HB   LYS  28          2HB       LYS  28  -7.183  -5.657   8.668
  219   2HB   LYS  28          3HB       LYS  28  -8.093  -7.045   9.270
  220   1HG   LYS  28          2HG       LYS  28  -9.314  -5.816  10.823
  221   2HG   LYS  28          3HG       LYS  28  -8.196  -4.470  10.864
  222   1HD   LYS  28          2HD       LYS  28  -9.895  -5.044   8.411
  223   2HD   LYS  28          3HD       LYS  28 -10.439  -4.066   9.787
  224   1HE   LYS  28          2HE       LYS  28  -8.218  -2.744   9.484
  225   2HE   LYS  28          3HE       LYS  28  -8.139  -3.497   7.895
  226   1HZ   LYS  28          1HZ       LYS  28 -10.225  -2.448   7.333
  227   2HZ   LYS  28          2HZ       LYS  28 -10.410  -1.851   8.863
  228   3HZ   LYS  28          3HZ       LYS  28  -9.220  -1.277   7.905
  229    H    ARG  29           H        ARG  29  -3.962  -6.742  10.723
  230    HA   ARG  29           HA       ARG  29  -3.985  -9.750  10.646
  231   1HB   ARG  29          2HB       ARG  29  -2.364  -7.696   9.262
  232   2HB   ARG  29          3HB       ARG  29  -1.383  -8.782  10.176
  233   1HG   ARG  29          2HG       ARG  29  -1.533  -9.532   7.925
  234   2HG   ARG  29          3HG       ARG  29  -2.282 -10.728   8.979
  235   1HD   ARG  29          2HD       ARG  29  -3.911  -8.615   7.503
  236   2HD   ARG  29          3HD       ARG  29  -3.411 -10.126   6.737
  237    HE   ARG  29           HE       ARG  29  -5.411  -9.827   8.845
  238   1HH1  ARG  29          1HH2      ARG  29  -3.415 -12.160   6.909
  239   2HH1  ARG  29          2HH2      ARG  29  -4.438 -13.472   7.399
  240   1HH2  ARG  29          1HH1      ARG  29  -6.613 -11.563   9.332
  241   2HH2  ARG  29          2HH1      ARG  29  -6.243 -13.155   8.710
  242    H    VAL  30           H        VAL  30  -2.510  -6.931  12.334
  243    HA   VAL  30           HA       VAL  30  -1.845  -8.690  14.651
  244    HB   VAL  30           HB       VAL  30   0.123  -6.796  13.313
  245   1HG1  VAL  30          1HG1      VAL  30   0.575  -6.993  15.728
  246   2HG1  VAL  30          2HG1      VAL  30   0.470  -8.768  15.623
  247   3HG1  VAL  30          3HG1      VAL  30   1.794  -7.896  14.844
  248   1HG2  VAL  30          1HG2      VAL  30   0.087  -9.835  13.307
  249   2HG2  VAL  30          2HG2      VAL  30  -0.006  -8.746  11.901
  250   3HG2  VAL  30          3HG2      VAL  30   1.483  -8.846  12.820
  251    H    SER  31           H        SER  31  -1.518  -7.451  16.680
  252    HA   SER  31           HA       SER  31  -3.531  -5.368  16.743
  253   1HB   SER  31          2HB       SER  31  -3.268  -7.217  18.439
  254   2HB   SER  31          3HB       SER  31  -1.806  -6.396  19.024
  255    HG   SER  31           HG       SER  31  -4.473  -5.693  19.258
  256    H    ALA  32           H        ALA  32  -3.327  -3.211  16.923
  257    HA   ALA  32           HA       ALA  32  -1.043  -1.637  17.073
  258   1HB   ALA  32          1HB       ALA  32  -3.346  -0.794  16.718
  259   2HB   ALA  32          2HB       ALA  32  -3.737  -1.136  18.418
  260   3HB   ALA  32          3HB       ALA  32  -2.520   0.093  18.010
  261    H    LYS  33           H        LYS  33  -2.356  -3.640  19.664
  262    HA   LYS  33           HA       LYS  33  -0.900  -2.332  21.843
  263   1HB   LYS  33          2HB       LYS  33  -2.201  -5.089  21.731
  264   2HB   LYS  33          3HB       LYS  33  -1.668  -4.223  23.179
  265   1HG   LYS  33          2HG       LYS  33  -3.303  -2.381  22.601
  266   2HG   LYS  33          3HG       LYS  33  -3.923  -3.419  21.298
  267   1HD   LYS  33          2HD       LYS  33  -4.493  -5.170  22.958
  268   2HD   LYS  33          3HD       LYS  33  -3.872  -4.131  24.263
  269   1HE   LYS  33          2HE       LYS  33  -5.530  -2.379  23.632
  270   2HE   LYS  33          3HE       LYS  33  -6.168  -3.446  22.372
  271   1HZ   LYS  33          1HZ       LYS  33  -6.752  -5.033  24.110
  272   2HZ   LYS  33          2HZ       LYS  33  -6.167  -4.032  25.275
  273   3HZ   LYS  33          3HZ       LYS  33  -7.482  -3.585  24.394
  274    H    GLU  34           H        GLU  34   0.138  -4.453  19.359
  275    HA   GLU  34           HA       GLU  34   2.599  -5.100  20.942
  276   1HB   GLU  34          2HB       GLU  34   2.700  -7.294  20.050
  277   2HB   GLU  34          3HB       GLU  34   1.080  -7.058  20.706
  278   1HG   GLU  34          2HG       GLU  34   0.478  -6.391  18.243
  279   2HG   GLU  34          3HG       GLU  34   1.960  -7.230  17.811
  280    H    ILE  35           H        ILE  35   1.250  -3.975  17.914
  281    HA   ILE  35           HA       ILE  35   3.762  -3.671  16.468
  282    HB   ILE  35           HB       ILE  35   1.098  -2.206  16.307
  283   1HG1  ILE  35          2HG1      ILE  35   1.128  -4.745  15.754
  284   2HG1  ILE  35          3HG1      ILE  35   0.333  -3.625  14.663
  285   1HG2  ILE  35          1HG2      ILE  35   2.821  -0.803  15.307
  286   2HG2  ILE  35          2HG2      ILE  35   3.429  -2.159  14.327
  287   3HG2  ILE  35          3HG2      ILE  35   1.810  -1.491  14.038
  288   1HD1  ILE  35          1HD1      ILE  35   2.073  -3.777  13.062
  289   2HD1  ILE  35          2HD1      ILE  35   3.176  -4.580  14.212
  290   3HD1  ILE  35          3HD1      ILE  35   1.747  -5.426  13.594
  291    H    VAL  36           H        VAL  36   5.345  -2.341  17.131
  292    HA   VAL  36           HA       VAL  36   4.953  -0.184  19.113
  293    HB   VAL  36           HB       VAL  36   7.326  -1.310  17.584
  294   1HG1  VAL  36          1HG1      VAL  36   7.746   1.063  17.544
  295   2HG1  VAL  36          2HG1      VAL  36   7.314   1.219  19.266
  296   3HG1  VAL  36          3HG1      VAL  36   8.771   0.321  18.776
  297   1HG2  VAL  36          1HG2      VAL  36   6.813  -0.943  20.564
  298   2HG2  VAL  36          2HG2      VAL  36   6.499  -2.438  19.669
  299   3HG2  VAL  36          3HG2      VAL  36   8.156  -1.829  19.803
  300    H    ASP  37           H        ASP  37   5.784  -0.517  15.619
  301    HA   ASP  37           HA       ASP  37   4.044   1.642  14.963
  302   1HB   ASP  37          2HB       ASP  37   6.423   2.698  15.791
  303   2HB   ASP  37          3HB       ASP  37   6.819   2.412  14.105
  304    H    ILE  38           H        ILE  38   4.437   2.320  12.549
  305    HA   ILE  38           HA       ILE  38   5.573   0.133  10.901
  306    HB   ILE  38           HB       ILE  38   3.656   0.295   9.297
  307   1HG1  ILE  38          2HG1      ILE  38   2.128   1.531  11.633
  308   2HG1  ILE  38          3HG1      ILE  38   2.574   2.359  10.140
  309   1HG2  ILE  38          1HG2      ILE  38   4.070  -1.616  10.803
  310   2HG2  ILE  38          2HG2      ILE  38   2.967  -0.901  11.998
  311   3HG2  ILE  38          3HG2      ILE  38   2.365  -1.400  10.400
  312   1HD1  ILE  38          1HD1      ILE  38   1.186   0.689   8.856
  313   2HD1  ILE  38          2HD1      ILE  38   0.608   0.054  10.416
  314   3HD1  ILE  38          3HD1      ILE  38   0.273   1.730   9.965
  315    H    ASP  39           H        ASP  39   6.465   0.755   9.031
  316    HA   ASP  39           HA       ASP  39   6.402   3.674   8.331
  317   1HB   ASP  39          2HB       ASP  39   8.786   1.837   8.691
  318   2HB   ASP  39          3HB       ASP  39   8.844   3.236   7.618
  319    H    ILE  40           H        ILE  40   5.533   3.901   6.387
  320    HA   ILE  40           HA       ILE  40   5.949   1.784   4.328
  321    HB   ILE  40           HB       ILE  40   3.368   3.063   5.233
  322   1HG1  ILE  40          2HG1      ILE  40   3.885   0.135   4.685
  323   2HG1  ILE  40          3HG1      ILE  40   4.382   0.819   6.231
  324   1HG2  ILE  40          1HG2      ILE  40   3.328   3.166   2.779
  325   2HG2  ILE  40          2HG2      ILE  40   3.910   1.484   2.667
  326   3HG2  ILE  40          3HG2      ILE  40   2.292   1.842   3.297
  327   1HD1  ILE  40          1HD1      ILE  40   2.066   1.507   6.697
  328   2HD1  ILE  40          2HD1      ILE  40   1.562   0.750   5.162
  329   3HD1  ILE  40          3HD1      ILE  40   2.260  -0.245   6.461
  330    H    THR  41           H        THR  41   6.833   2.548   2.592
  331    HA   THR  41           HA       THR  41   6.255   5.365   1.721
  332    HB   THR  41           HB       THR  41   8.889   3.851   1.601
  333    HG1  THR  41           1HG      THR  41   8.189   5.073   3.489
  334   1HG2  THR  41          1HG2      THR  41   8.661   5.021  -0.521
  335   2HG2  THR  41          2HG2      THR  41   8.105   6.501   0.310
  336   3HG2  THR  41          3HG2      THR  41   9.774   5.923   0.518
  337    H    VAL  42           H        VAL  42   4.987   5.224   0.018
  338    HA   VAL  42           HA       VAL  42   5.525   3.171  -2.055
  339    HB   VAL  42           HB       VAL  42   3.527   2.501  -1.205
  340   1HG1  VAL  42          1HG1      VAL  42   2.841   4.350   0.211
  341   2HG1  VAL  42          2HG1      VAL  42   2.459   5.339  -1.216
  342   3HG1  VAL  42          3HG1      VAL  42   1.531   3.868  -0.855
  343   1HG2  VAL  42          1HG2      VAL  42   2.613   4.243  -3.512
  344   2HG2  VAL  42          2HG2      VAL  42   3.638   2.816  -3.726
  345   3HG2  VAL  42          3HG2      VAL  42   2.031   2.650  -2.998
  346    H    LEU  43           H        LEU  43   6.278   3.849  -3.840
  347    HA   LEU  43           HA       LEU  43   6.152   6.762  -4.508
  348   1HB   LEU  43          2HB       LEU  43   8.436   4.988  -4.013
  349   2HB   LEU  43          3HB       LEU  43   8.457   5.550  -5.675
  350    HG   LEU  43           HG       LEU  43   8.260   7.914  -4.879
  351   1HD1  LEU  43          1HD1      LEU  43   7.245   7.507  -2.639
  352   2HD1  LEU  43          2HD1      LEU  43   8.734   6.681  -2.138
  353   3HD1  LEU  43          3HD1      LEU  43   8.759   8.415  -2.508
  354   1HD2  LEU  43          1HD2      LEU  43  10.609   6.313  -3.771
  355   2HD2  LEU  43          2HD2      LEU  43  10.448   6.927  -5.431
  356   3HD2  LEU  43          3HD2      LEU  43  10.599   8.064  -4.081
  357    H    VAL  44           H        VAL  44   5.781   7.340  -6.585
  358    HA   VAL  44           HA       VAL  44   5.339   5.223  -8.597
  359    HB   VAL  44           HB       VAL  44   3.205   5.564  -7.484
  360   1HG1  VAL  44          1HG1      VAL  44   1.957   7.645  -7.597
  361   2HG1  VAL  44          2HG1      VAL  44   3.428   7.857  -6.656
  362   3HG1  VAL  44          3HG1      VAL  44   3.357   8.480  -8.320
  363   1HG2  VAL  44          1HG2      VAL  44   3.130   6.835 -10.251
  364   2HG2  VAL  44          2HG2      VAL  44   3.293   5.097  -9.947
  365   3HG2  VAL  44          3HG2      VAL  44   1.832   5.943  -9.425
  366    H    GLU  45           H        GLU  45   5.720   5.765 -10.637
  367    HA   GLU  45           HA       GLU  45   6.800   8.460 -11.343
  368   1HB   GLU  45          2HB       GLU  45   8.121   5.712 -11.399
  369   2HB   GLU  45          3HB       GLU  45   8.445   6.838 -12.695
  370   1HG   GLU  45          2HG       GLU  45   9.164   8.542 -10.949
  371   2HG   GLU  45          3HG       GLU  45   9.118   7.212  -9.779
  372    H    TYR  46           H        TYR  46   6.982   8.784 -13.623
  373    HA   TYR  46           HA       TYR  46   5.889   6.673 -15.371
  374   1HB   TYR  46          2HB       TYR  46   4.123   8.497 -14.860
  375   2HB   TYR  46          3HB       TYR  46   5.108   9.566 -15.840
  376    HD1  TYR  46           HD1      TYR  46   5.832   8.419 -18.255
  377    HD2  TYR  46           HD2      TYR  46   2.410   7.366 -15.851
  378    HE1  TYR  46           HE1      TYR  46   4.738   7.389 -20.246
  379    HE2  TYR  46           HE2      TYR  46   1.296   6.403 -17.829
  380    HH   TYR  46           HH       TYR  46   1.490   5.919 -20.080
  381    H    THR  47           H        THR  47   7.825   6.142 -16.116
  382    HA   THR  47           HA       THR  47   9.655   8.222 -17.264
  383    HB   THR  47           HB       THR  47  10.479   5.969 -15.380
  384    HG1  THR  47           1HG      THR  47  10.657   7.535 -13.855
  385   1HG2  THR  47          1HG2      THR  47  12.222   6.435 -17.113
  386   2HG2  THR  47          2HG2      THR  47  12.120   8.170 -16.731
  387   3HG2  THR  47          3HG2      THR  47  12.721   7.019 -15.517
  388    H    ASP  48           H        ASP  48   8.630   7.611 -19.186
  389    HA   ASP  48           HA       ASP  48   8.120   6.539 -21.073
  390   1HB   ASP  48          2HB       ASP  48  10.614   6.127 -21.149
  391   2HB   ASP  48          3HB       ASP  48  10.289   4.495 -20.552
  392    H    GLU  49           H        GLU  49   8.633   4.204 -18.443
  393    HA   GLU  49           HA       GLU  49   6.093   2.755 -19.056
  394   1HB   GLU  49          2HB       GLU  49   8.216   2.383 -16.889
  395   2HB   GLU  49          3HB       GLU  49   6.834   1.328 -17.149
  396   1HG   GLU  49          2HG       GLU  49   7.764   0.477 -19.209
  397   2HG   GLU  49          3HG       GLU  49   9.077   1.671 -19.179
  398    H    LEU  50           H        LEU  50   4.458   2.651 -17.394
  399    HA   LEU  50           HA       LEU  50   4.442   4.768 -15.294
  400   1HB   LEU  50          2HB       LEU  50   2.303   4.451 -16.381
  401   2HB   LEU  50          3HB       LEU  50   2.443   2.696 -16.294
  402    HG   LEU  50           HG       LEU  50   2.177   2.749 -13.840
  403   1HD1  LEU  50          1HD1      LEU  50   3.067   5.004 -13.319
  404   2HD1  LEU  50          2HD1      LEU  50   1.675   5.739 -14.142
  405   3HD1  LEU  50          3HD1      LEU  50   1.451   4.765 -12.669
  406   1HD2  LEU  50          1HD2      LEU  50  -0.017   4.249 -15.308
  407   2HD2  LEU  50          2HD2      LEU  50   0.216   2.483 -15.282
  408   3HD2  LEU  50          3HD2      LEU  50  -0.181   3.341 -13.786
  409    H    LYS  51           H        LYS  51   5.370   4.246 -13.342
  410    HA   LYS  51           HA       LYS  51   5.474   1.369 -12.566
  411   1HB   LYS  51          2HB       LYS  51   7.691   2.895 -13.569
  412   2HB   LYS  51          3HB       LYS  51   7.979   2.665 -11.846
  413   1HG   LYS  51          2HG       LYS  51   7.906   0.290 -12.033
  414   2HG   LYS  51          3HG       LYS  51   7.090   0.350 -13.605
  415   1HD   LYS  51          2HD       LYS  51   9.116   1.289 -14.656
  416   2HD   LYS  51          3HD       LYS  51   9.988   1.140 -13.110
  417   1HE   LYS  51          2HE       LYS  51   9.695  -1.276 -13.113
  418   2HE   LYS  51          3HE       LYS  51   8.554  -1.181 -14.470
  419   1HZ   LYS  51          1HZ       LYS  51  10.297  -0.444 -15.909
  420   2HZ   LYS  51          2HZ       LYS  51  11.417  -0.473 -14.710
  421   3HZ   LYS  51          3HZ       LYS  51  10.698  -1.872 -15.263
  422    H    VAL  52           H        VAL  52   5.267   0.902 -10.488
  423    HA   VAL  52           HA       VAL  52   5.301   3.039  -8.468
  424    HB   VAL  52           HB       VAL  52   2.994   3.014  -9.013
  425   1HG1  VAL  52          1HG1      VAL  52   2.741   0.933 -10.241
  426   2HG1  VAL  52          2HG1      VAL  52   2.966  -0.011  -8.743
  427   3HG1  VAL  52          3HG1      VAL  52   1.548   1.036  -8.952
  428   1HG2  VAL  52          1HG2      VAL  52   3.249   1.286  -6.519
  429   2HG2  VAL  52          2HG2      VAL  52   3.534   3.043  -6.584
  430   3HG2  VAL  52          3HG2      VAL  52   1.931   2.390  -6.945
  431    H    ASP  53           H        ASP  53   6.120   2.392  -6.558
  432    HA   ASP  53           HA       ASP  53   6.514  -0.489  -6.097
  433   1HB   ASP  53          2HB       ASP  53   8.605   0.453  -7.181
  434   2HB   ASP  53          3HB       ASP  53   8.809   1.452  -5.728
  435    H    ILE  54           H        ILE  54   6.904  -1.067  -3.963
  436    HA   ILE  54           HA       ILE  54   5.691   0.829  -1.988
  437    HB   ILE  54           HB       ILE  54   4.710  -2.005  -2.506
  438   1HG1  ILE  54          2HG1      ILE  54   3.487   0.624  -3.401
  439   2HG1  ILE  54          3HG1      ILE  54   4.033  -0.695  -4.431
  440   1HG2  ILE  54          1HG2      ILE  54   4.488  -1.085  -0.157
  441   2HG2  ILE  54          2HG2      ILE  54   3.504   0.239  -0.823
  442   3HG2  ILE  54          3HG2      ILE  54   2.968  -1.453  -0.957
  443   1HD1  ILE  54          1HD1      ILE  54   2.233  -2.147  -3.487
  444   2HD1  ILE  54          2HD1      ILE  54   1.620  -0.738  -2.584
  445   3HD1  ILE  54          3HD1      ILE  54   1.646  -0.713  -4.362
  446    H    SER  55           H        SER  55   7.036   0.924  -0.320
  447    HA   SER  55           HA       SER  55   8.379  -1.578   0.646
  448   1HB   SER  55          2HB       SER  55   9.916   0.214  -0.196
  449   2HB   SER  55          3HB       SER  55   9.230   1.320   1.011
  450    HG   SER  55           HG       SER  55  10.741  -1.041   1.413
  451    H    ALA  56           H        ALA  56   7.672  -2.286   2.585
  452    HA   ALA  56           HA       ALA  56   6.395  -0.399   4.481
  453   1HB   ALA  56          1HB       ALA  56   4.601  -1.564   3.241
  454   2HB   ALA  56          2HB       ALA  56   5.304  -3.133   3.704
  455   3HB   ALA  56          3HB       ALA  56   4.638  -2.049   4.948
  456    H    GLU  57           H        GLU  57   6.940  -0.682   6.543
  457    HA   GLU  57           HA       GLU  57   8.603  -3.014   7.354
  458   1HB   GLU  57          2HB       GLU  57   9.191  -0.141   7.263
  459   2HB   GLU  57          3HB       GLU  57   9.316  -0.737   8.910
  460   1HG   GLU  57          2HG       GLU  57  10.704  -2.052   6.541
  461   2HG   GLU  57          3HG       GLU  57  11.407  -0.779   7.548
  462    H    LEU  58           H        LEU  58   8.599  -3.585   9.494
  463    HA   LEU  58           HA       LEU  58   6.043  -3.007  10.973
  464   1HB   LEU  58          2HB       LEU  58   7.087  -5.563   9.803
  465   2HB   LEU  58          3HB       LEU  58   6.529  -5.686  11.452
  466    HG   LEU  58           HG       LEU  58   4.862  -6.323   9.767
  467   1HD1  LEU  58          1HD1      LEU  58   2.959  -5.214  10.825
  468   2HD1  LEU  58          2HD1      LEU  58   4.163  -5.711  12.016
  469   3HD1  LEU  58          3HD1      LEU  58   4.033  -3.997  11.566
  470   1HD2  LEU  58          1HD2      LEU  58   4.510  -3.377   9.152
  471   2HD2  LEU  58          2HD2      LEU  58   5.428  -4.483   8.121
  472   3HD2  LEU  58          3HD2      LEU  58   3.704  -4.784   8.411
  473    H    TYR  59           H        TYR  59   6.798  -1.931  12.733
  474    HA   TYR  59           HA       TYR  59   9.076  -3.189  14.186
  475   1HB   TYR  59          2HB       TYR  59   8.039  -0.348  14.297
  476   2HB   TYR  59          3HB       TYR  59   9.331  -1.013  15.299
  477    HD1  TYR  59           HD1      TYR  59  10.945  -2.661  13.478
  478    HD2  TYR  59           HD2      TYR  59   9.022   1.132  12.648
  479    HE1  TYR  59           HE1      TYR  59  12.447  -2.308  11.579
  480    HE2  TYR  59           HE2      TYR  59  10.629   1.516  10.816
  481    HH   TYR  59           HH       TYR  59  12.567  -1.160   9.596
  482    H    LEU  60           H        LEU  60   8.683  -4.370  15.752
  483    HA   LEU  60           HA       LEU  60   5.997  -4.470  17.038
  484   1HB   LEU  60          2HB       LEU  60   7.860  -6.551  15.846
  485   2HB   LEU  60          3HB       LEU  60   6.698  -7.008  17.067
  486    HG   LEU  60           HG       LEU  60   5.746  -5.515  14.607
  487   1HD1  LEU  60          1HD1      LEU  60   7.002  -7.441  13.744
  488   2HD1  LEU  60          2HD1      LEU  60   6.150  -8.527  14.867
  489   3HD1  LEU  60          3HD1      LEU  60   5.259  -7.708  13.562
  490   1HD2  LEU  60          1HD2      LEU  60   4.455  -7.603  16.434
  491   2HD2  LEU  60          2HD2      LEU  60   4.254  -5.860  16.614
  492   3HD2  LEU  60          3HD2      LEU  60   3.657  -6.667  15.152
  493    H    ASP  61           H        ASP  61   5.898  -5.191  19.176
  494    HA   ASP  61           HA       ASP  61   8.076  -4.317  20.836
  495   1HB   ASP  61          2HB       ASP  61   5.749  -4.205  21.568
  496   2HB   ASP  61          3HB       ASP  61   5.622  -5.975  21.527
  497    H    GLU  62           H        GLU  62   9.465  -5.416  22.197
  498    HA   GLU  62           HA       GLU  62  10.734  -7.742  21.114
  499   1HB   GLU  62          2HB       GLU  62  11.068  -6.188  23.703
  500   2HB   GLU  62          3HB       GLU  62  12.139  -7.508  23.244
  501   1HG   GLU  62          2HG       GLU  62  11.726  -5.104  21.418
  502   2HG   GLU  62          3HG       GLU  62  12.882  -5.096  22.739
  503    H    LEU  63           H        LEU  63   8.002  -7.624  23.292
  504    HA   LEU  63           HA       LEU  63   8.485 -10.493  24.025
  505   1HB   LEU  63          2HB       LEU  63   6.707  -8.312  25.165
  506   2HB   LEU  63          3HB       LEU  63   6.354 -10.002  25.434
  507    HG   LEU  63           HG       LEU  63   8.542 -10.354  26.505
  508   1HD1  LEU  63          1HD1      LEU  63   9.947  -8.593  25.601
  509   2HD1  LEU  63          2HD1      LEU  63   8.853  -7.335  26.220
  510   3HD1  LEU  63          3HD1      LEU  63   9.800  -8.346  27.341
  511   1HD2  LEU  63          1HD2      LEU  63   6.873  -8.102  27.696
  512   2HD2  LEU  63          2HD2      LEU  63   6.497  -9.836  27.796
  513   3HD2  LEU  63          3HD2      LEU  63   7.946  -9.202  28.592
  514    H    SER  64           H        SER  64   7.172  -8.869  21.466
  515    HA   SER  64           HA       SER  64   4.666 -10.368  21.182
  516   1HB   SER  64          2HB       SER  64   4.419  -9.234  19.090
  517   2HB   SER  64          3HB       SER  64   4.989  -8.055  20.282
  518    HG   SER  64           HG       SER  64   7.071  -8.216  19.436
  519    H    ASP  65           H        ASP  65   4.281 -11.526  19.000
  520    HA   ASP  65           HA       ASP  65   6.441 -13.021  17.837
  521   1HB   ASP  65          2HB       ASP  65   6.132 -14.280  19.967
  522   2HB   ASP  65          3HB       ASP  65   4.426 -14.509  19.583
  523    H    ALA  66           H        ALA  66   5.781 -12.593  15.844
  524    HA   ALA  66           HA       ALA  66   3.021 -13.200  14.950
  525   1HB   ALA  66          1HB       ALA  66   3.266 -10.757  15.299
  526   2HB   ALA  66          2HB       ALA  66   4.658 -10.742  14.191
  527   3HB   ALA  66          3HB       ALA  66   3.037 -11.152  13.586
  528    H    ASP  67           H        ASP  67   2.918 -13.308  12.452
  529    HA   ASP  67           HA       ASP  67   4.646 -15.418  11.837
  530   1HB   ASP  67          2HB       ASP  67   2.647 -14.009  10.026
  531   2HB   ASP  67          3HB       ASP  67   3.253 -15.652   9.842
  532    HA   PRO  68           HA       PRO  68   7.887 -13.433   9.549
  533   1HB   PRO  68          2HB       PRO  68   9.205 -15.580   8.519
  534   2HB   PRO  68          3HB       PRO  68   9.028 -15.320  10.275
  535   1HG   PRO  68          2HG       PRO  68   7.259 -17.035   8.491
  536   2HG   PRO  68          3HG       PRO  68   8.108 -17.526   9.996
  537   1HD   PRO  68          2HD       PRO  68   5.519 -16.717  10.040
  538   2HD   PRO  68          3HD       PRO  68   6.651 -16.259  11.348
  539    H    GLY  69           H        GLY  69   5.648 -12.956   8.291
  540   1HA   GLY  69          2HA       GLY  69   6.278 -12.370   5.575
  541   2HA   GLY  69          3HA       GLY  69   5.244 -13.803   5.603
  542    H    ILE  70           H        ILE  70   4.320 -11.875   8.294
  543    HA   ILE  70           HA       ILE  70   1.815 -11.406   7.187
  544    HB   ILE  70           HB       ILE  70   2.631 -11.713   9.579
  545   1HG1  ILE  70          2HG1      ILE  70   0.612  -9.528   9.596
  546   2HG1  ILE  70          3HG1      ILE  70   0.252 -10.940   8.600
  547   1HG2  ILE  70          1HG2      ILE  70   4.230  -9.819   9.697
  548   2HG2  ILE  70          2HG2      ILE  70   2.881  -8.663   9.576
  549   3HG2  ILE  70          3HG2      ILE  70   3.007  -9.747  10.968
  550   1HD1  ILE  70          1HD1      ILE  70   0.467 -12.462  10.438
  551   2HD1  ILE  70          2HD1      ILE  70   1.049 -11.186  11.519
  552   3HD1  ILE  70          3HD1      ILE  70  -0.631 -11.159  10.928
  553    H    VAL  71           H        VAL  71   4.602  -9.388   6.922
  554    HA   VAL  71           HA       VAL  71   3.086  -7.065   5.939
  555    HB   VAL  71           HB       VAL  71   5.059  -6.704   7.254
  556   1HG1  VAL  71          1HG1      VAL  71   6.481  -8.628   6.606
  557   2HG1  VAL  71          2HG1      VAL  71   6.713  -7.907   4.995
  558   3HG1  VAL  71          3HG1      VAL  71   7.333  -7.091   6.438
  559   1HG2  VAL  71          1HG2      VAL  71   5.505  -5.745   4.401
  560   2HG2  VAL  71          2HG2      VAL  71   4.385  -5.014   5.575
  561   3HG2  VAL  71          3HG2      VAL  71   6.133  -5.002   5.876
  562    H    ASP  72           H        ASP  72   4.782  -9.889   4.593
  563    HA   ASP  72           HA       ASP  72   4.846  -8.962   1.854
  564   1HB   ASP  72          2HB       ASP  72   6.186 -10.885   2.812
  565   2HB   ASP  72          3HB       ASP  72   4.691 -11.823   2.878
  566    H    GLU  73           H        GLU  73   2.458 -10.671   3.920
  567    HA   GLU  73           HA       GLU  73   0.371 -10.915   1.968
  568   1HB   GLU  73          2HB       GLU  73   0.174 -10.232   4.935
  569   2HB   GLU  73          3HB       GLU  73  -1.179 -10.648   3.879
  570   1HG   GLU  73          2HG       GLU  73  -0.500 -12.928   3.739
  571   2HG   GLU  73          3HG       GLU  73   0.967 -12.587   4.677
  572    H    ALA  74           H        ALA  74   1.329  -8.080   4.057
  573    HA   ALA  74           HA       ALA  74  -1.007  -6.544   3.355
  574   1HB   ALA  74          1HB       ALA  74   0.546  -6.247   5.405
  575   2HB   ALA  74          2HB       ALA  74   1.649  -5.391   4.292
  576   3HB   ALA  74          3HB       ALA  74   0.008  -4.781   4.562
  577    H    VAL  75           H        VAL  75   2.343  -6.575   2.080
  578    HA   VAL  75           HA       VAL  75   1.774  -4.420   0.216
  579    HB   VAL  75           HB       VAL  75   4.100  -6.366   0.057
  580   1HG1  VAL  75          1HG1      VAL  75   3.536  -4.699  -1.866
  581   2HG1  VAL  75          2HG1      VAL  75   3.936  -3.438  -0.719
  582   3HG1  VAL  75          3HG1      VAL  75   5.175  -4.611  -1.186
  583   1HG2  VAL  75          1HG2      VAL  75   3.746  -3.792   1.691
  584   2HG2  VAL  75          2HG2      VAL  75   4.224  -5.376   2.289
  585   3HG2  VAL  75          3HG2      VAL  75   5.339  -4.476   1.276
  586    H    ASP  76           H        ASP  76   1.913  -8.036  -0.205
  587    HA   ASP  76           HA       ASP  76   1.043  -8.181  -2.880
  588   1HB   ASP  76          2HB       ASP  76   1.857 -10.063  -1.543
  589   2HB   ASP  76          3HB       ASP  76   0.428  -9.966  -0.504
  590    H    ALA  77           H        ALA  77  -0.997  -7.875   0.120
  591    HA   ALA  77           HA       ALA  77  -3.475  -7.823  -1.285
  592   1HB   ALA  77          1HB       ALA  77  -3.298  -8.206   1.121
  593   2HB   ALA  77          2HB       ALA  77  -2.703  -6.551   1.374
  594   3HB   ALA  77          3HB       ALA  77  -4.359  -6.822   0.787
  595    H    ALA  78           H        ALA  78  -1.232  -5.101  -0.417
  596    HA   ALA  78           HA       ALA  78  -2.872  -3.060  -1.566
  597   1HB   ALA  78          1HB       ALA  78  -1.008  -2.632  -0.059
  598   2HB   ALA  78          2HB       ALA  78   0.165  -3.150  -1.289
  599   3HB   ALA  78          3HB       ALA  78  -0.836  -1.711  -1.557
  600    H    TYR  79           H        TYR  79  -0.249  -5.054  -3.103
  601    HA   TYR  79           HA       TYR  79  -0.482  -3.885  -5.694
  602   1HB   TYR  79          2HB       TYR  79   0.289  -6.702  -4.823
  603   2HB   TYR  79          3HB       TYR  79   0.427  -6.122  -6.467
  604    HD1  TYR  79           HD1      TYR  79   2.348  -6.773  -3.629
  605    HD2  TYR  79           HD2      TYR  79   1.730  -3.696  -6.615
  606    HE1  TYR  79           HE1      TYR  79   4.736  -6.111  -3.481
  607    HE2  TYR  79           HE2      TYR  79   4.083  -2.947  -6.328
  608    HH   TYR  79           HH       TYR  79   6.152  -3.352  -5.228
  609    H    ARG  80           H        ARG  80  -2.250  -6.732  -4.315
  610    HA   ARG  80           HA       ARG  80  -3.817  -7.148  -6.727
  611   1HB   ARG  80          2HB       ARG  80  -4.226  -8.079  -3.851
  612   2HB   ARG  80          3HB       ARG  80  -5.247  -8.577  -5.212
  613   1HG   ARG  80          2HG       ARG  80  -3.257  -9.506  -6.384
  614   2HG   ARG  80          3HG       ARG  80  -2.244  -9.031  -5.016
  615   1HD   ARG  80          2HD       ARG  80  -3.888 -10.452  -3.576
  616   2HD   ARG  80          3HD       ARG  80  -4.391 -11.177  -5.110
  617    HE   ARG  80           HE       ARG  80  -1.820 -11.387  -3.668
  618   1HH1  ARG  80          1HH2      ARG  80  -3.406 -12.269  -6.677
  619   2HH1  ARG  80          2HH2      ARG  80  -2.008 -13.139  -7.267
  620   1HH2  ARG  80          1HH1      ARG  80  -0.045 -12.191  -4.559
  621   2HH2  ARG  80          2HH1      ARG  80  -0.110 -13.195  -6.007
  622    H    SER  81           H        SER  81  -4.453  -5.283  -3.749
  623    HA   SER  81           HA       SER  81  -7.128  -4.491  -4.380
  624   1HB   SER  81          2HB       SER  81  -6.116  -4.146  -2.166
  625   2HB   SER  81          3HB       SER  81  -4.923  -3.032  -2.863
  626    HG   SER  81           HG       SER  81  -6.608  -1.840  -1.992
  627    H    LEU  82           H        LEU  82  -3.927  -2.980  -5.206
  628    HA   LEU  82           HA       LEU  82  -5.038  -0.760  -6.553
  629   1HB   LEU  82          2HB       LEU  82  -2.693  -1.087  -5.761
  630   2HB   LEU  82          3HB       LEU  82  -2.408  -2.238  -7.046
  631    HG   LEU  82           HG       LEU  82  -2.810  -0.462  -8.739
  632   1HD1  LEU  82          1HD1      LEU  82  -4.261   1.093  -7.501
  633   2HD1  LEU  82          2HD1      LEU  82  -2.967   1.397  -6.320
  634   3HD1  LEU  82          3HD1      LEU  82  -2.791   1.926  -8.006
  635   1HD2  LEU  82          1HD2      LEU  82  -0.653   0.182  -6.703
  636   2HD2  LEU  82          2HD2      LEU  82  -0.546  -0.977  -8.042
  637   3HD2  LEU  82          3HD2      LEU  82  -0.718   0.751  -8.384
  638    H    GLU  83           H        GLU  83  -3.861  -3.911  -8.032
  639    HA   GLU  83           HA       GLU  83  -4.697  -2.961 -10.631
  640   1HB   GLU  83          2HB       GLU  83  -2.935  -4.785 -10.049
  641   2HB   GLU  83          3HB       GLU  83  -4.316  -5.882 -10.019
  642   1HG   GLU  83          2HG       GLU  83  -3.402  -5.995 -12.213
  643   2HG   GLU  83          3HG       GLU  83  -4.883  -5.076 -12.378
  644    H    SER  84           H        SER  84  -6.408  -4.722  -8.074
  645    HA   SER  84           HA       SER  84  -8.774  -5.330  -9.620
  646   1HB   SER  84          2HB       SER  84  -8.626  -4.651  -6.653
  647   2HB   SER  84          3HB       SER  84  -9.942  -5.479  -7.502
  648    HG   SER  84           HG       SER  84  -7.298  -6.367  -6.966
  649    H    PHE  85           H        PHE  85  -7.928  -2.469  -7.538
  650    HA   PHE  85           HA       PHE  85 -10.273  -0.963  -8.097
  651   1HB   PHE  85          2HB       PHE  85  -8.684  -0.585  -6.249
  652   2HB   PHE  85          3HB       PHE  85  -7.436  -0.114  -7.386
  653    HD1  PHE  85           HD1      PHE  85  -7.680   2.030  -8.703
  654    HD2  PHE  85           HD2      PHE  85 -10.319   0.984  -5.469
  655    HE1  PHE  85           HE1      PHE  85  -8.225   4.432  -8.376
  656    HE2  PHE  85           HE2      PHE  85 -10.899   3.382  -5.165
  657    HZ   PHE  85           HZ       PHE  85  -9.832   5.111  -6.603
  658    H    LEU  86           H        LEU  86  -7.169  -1.149  -9.892
  659    HA   LEU  86           HA       LEU  86  -7.934   0.840 -11.829
  660   1HB   LEU  86          2HB       LEU  86  -5.747  -1.223 -11.615
  661   2HB   LEU  86          3HB       LEU  86  -6.099  -0.563 -13.185
  662    HG   LEU  86           HG       LEU  86  -4.293   0.655 -12.289
  663   1HD1  LEU  86          1HD1      LEU  86  -6.153   1.938 -13.507
  664   2HD1  LEU  86          2HD1      LEU  86  -6.604   2.581 -11.913
  665   3HD1  LEU  86          3HD1      LEU  86  -4.992   2.896 -12.564
  666   1HD2  LEU  86          1HD2      LEU  86  -5.951   1.302  -9.851
  667   2HD2  LEU  86          2HD2      LEU  86  -4.437   0.386  -9.959
  668   3HD2  LEU  86          3HD2      LEU  86  -4.432   2.116 -10.293
  669    H    ASP  87           H        ASP  87  -9.319  -2.303 -11.442
  670    HA   ASP  87           HA       ASP  87  -9.919  -2.772 -14.195
  671   1HB   ASP  87          2HB       ASP  87 -11.379  -4.371 -13.555
  672   2HB   ASP  87          3HB       ASP  87 -10.244  -4.376 -12.227
  673    H    GLY  88           H        GLY  88 -11.023  -0.251 -12.082
  674   1HA   GLY  88          2HA       GLY  88 -13.296   0.436 -13.839
  675   2HA   GLY  88          3HA       GLY  88 -12.729   1.320 -12.416
  676    H    PHE  89           H        PHE  89  -9.967   0.851 -14.208
  677    HA   PHE  89           HA       PHE  89 -10.305   3.390 -15.760
  678   1HB   PHE  89          2HB       PHE  89  -8.209   2.871 -13.647
  679   2HB   PHE  89          3HB       PHE  89  -8.343   4.333 -14.612
  680    HD1  PHE  89           HD1      PHE  89 -10.832   5.463 -14.457
  681    HD2  PHE  89           HD2      PHE  89  -8.982   3.016 -11.424
  682    HE1  PHE  89           HE1      PHE  89 -12.363   6.411 -12.757
  683    HE2  PHE  89           HE2      PHE  89 -10.529   3.947  -9.737
  684    HZ   PHE  89           HZ       PHE  89 -12.215   5.649 -10.383
  685    H    ARG  90           H        ARG  90  -8.617   0.313 -15.592
  686    HA   ARG  90           HA       ARG  90  -7.009   1.117 -17.995
  687   1HB   ARG  90          2HB       ARG  90  -6.164  -0.341 -15.485
  688   2HB   ARG  90          3HB       ARG  90  -5.313  -0.604 -17.002
  689   1HG   ARG  90          2HG       ARG  90  -4.748   1.731 -17.210
  690   2HG   ARG  90          3HG       ARG  90  -5.685   2.159 -15.785
  691   1HD   ARG  90          2HD       ARG  90  -3.120   1.961 -15.516
  692   2HD   ARG  90          3HD       ARG  90  -4.143   1.215 -14.314
  693    HE   ARG  90           HE       ARG  90  -3.316  -0.845 -14.792
  694   1HH1  ARG  90          1HH2      ARG  90  -2.612   1.162 -17.575
  695   2HH1  ARG  90          2HH2      ARG  90  -1.640  -0.060 -18.354
  696   1HH2  ARG  90          1HH1      ARG  90  -2.069  -2.366 -15.780
  697   2HH2  ARG  90          2HH1      ARG  90  -1.350  -2.056 -17.339
  698    H    GLU  91           H        GLU  91  -9.441  -1.049 -17.147
  699    HA   GLU  91           HA       GLU  91  -8.723  -2.734 -19.473
  700   1HB   GLU  91          2HB       GLU  91  -7.864  -3.809 -17.343
  701   2HB   GLU  91          3HB       GLU  91  -9.544  -3.980 -16.819
  702   1HG   GLU  91          2HG       GLU  91 -10.031  -5.459 -18.688
  703   2HG   GLU  91          3HG       GLU  91  -8.503  -5.063 -19.477