*HEADER    TRANSCRIPTION                           06-NOV-01   1KBH              
*TITLE     MUTUAL SYNERGISTIC FOLDING IN THE INTERACTION BETWEEN                 
*TITLE    2 NUCLEAR RECEPTOR COACTIVATORS CBP AND ACTR                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEAR RECEPTOR COACTIVATOR;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACTR;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: CREB-BINDING PROTEIN;                                      
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: ACTR;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3(DNAY);                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET22B;                                   
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE  12 ORGANISM_COMMON: MOUSE;                                              
*SOURCE  13 GENE: CBP;                                                           
*SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  15 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  16 EXPRESSION_SYSTEM_STRAIN: BL21-DE3(DNAY);                            
*SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PET22B                                    
*KEYWDS    NUCLEAR HORMONE RECEPTORS, P160, ACTR, CBP, CREB-BINDING              
*KEYWDS   2 PROTEIN, P300, COACTIVATOR                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.J.DEMAREST, M.MARTINEZ-YAMOUT, J.CHUNG, H.CHEN, W.XU,               
*AUTHOR   2 H.J.DYSON, R.M.EVANS, P.E.WRIGHT                                     
*REVDAT   1   06-FEB-02 1KBH    0                                                

#
#   1 GLU- HA      2 GLY  QA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  21,  22,
 &end
#
#  2 GLY HN      3 GLN HN   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 GLY HN      4 SER QB   5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#  2 GLY HN      1 GLU- QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &end
#
#  4 SER HN      3 GLN HN   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 SER HN      5 ASP- QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  58,  59,
 &end
#
#  4 SER HN      3 GLN QG   5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  33,  34,
 &end
#
#  5 ASP- HN     6 GLU- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  5 ASP- HN     9 LEU  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 124, 125, 126,
 &end
#
#  5 ASP- HN     9 LEU  QD1 5.0   (#ONE OF THESE SHOULD BE MEDIUM)
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 124, 125, 126,
 &end
#
#  5 ASP- QB     8 ALA  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  58,  59,
 igr2= 109, 110, 111,
 &end
#
#  6 GLU- HN     5 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLU- HN     7 ARG+ HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLU- HN     4 SER  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLU- HN     3 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLU- HN     6 GLU- QG  4.0  (#released0617penalty)
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  73,  74,
 &end
#
#  7 ARG+ HN     6 GLU- HN  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  7 ARG+ HN     8 ALA  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  7 ARG+ HN     5 ASP- HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  56, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  7 ARG+ HN     4 SER  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  7 ARG+ HN     7 ARG+ QG  4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  88,  89,
 &end
#
#  7 ARG+ HN     6 GLU- QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  73,  74,
 &end
#
#  7 ARG+ HA     10 LEU  HB3 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  7 ARG+ HA     10 LEU  HB2 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  7 ARG+ HA     10 LEU  HG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 ARG+ HA     10 LEU  QQD 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 143, 144, 145, 147, 148, 149,
 &end
#
#  7 ARG+ HA     10 LEU  HN  4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  8 ALA  HN     7 ARG+ HN  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  8 ALA  HN     7 ARG+ QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  85,  86,
 &end
#
#  8 ALA  HN     7 ARG+ QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  88,  89,
 &end
#
#  8 ALA  HN     5 ASP- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  56, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 ALA  HA     11 ASP- HB3 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  8 ALA  HA     11 ASP- HB2 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  9 LEU  HN     10 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 LEU  HN     6 GLU- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  68, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 LEU  HN     6 GLU- QB  5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  70,  71,
 &end
#
#  9 LEU  HN     9 LEU  QD1 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 124, 125, 126,
 &end
#
#  9 LEU  HN     9 LEU  QD2 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#  9 LEU  HA     12 GLN  QB  4.2  (#from4.0to4.2on0920)
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 169, 170,
 &end
#
#  9 LEU  HA     12 GLN  QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 172, 173,
 &end
#
#  9 LEU  HB3    6 GLU- HA  4.0  (#0619hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  9 LEU  HA     12 GLN QE  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 177, 178,
 &end
#
#  10 LEU  HN     7 ARG+ HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 LEU  HN     10 LEU  HG  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  10 LEU  HN     10 LEU  QD1 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 143, 144, 145,
 &end
#
#  10 LEU  HN     10 LEU  QD2 5.0   (#RELEASED - NO STEREO  )
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 147, 148, 149,
 &end
#
#  11 ASP- HN     10 LEU  HN  2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 134, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  11 ASP- HN     12 GLN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN      8 ALA  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN     12 GLN  QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 172, 173,
 &end
#
#  11 ASP- HN     10 LEU  HG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN     10 LEU  QD1 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 143, 144, 145,
 &end
#
#  11 ASP- HN     10 LEU  QD2 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 147, 148, 149,
 &end
#
#  11 ASP- HA      7 ARG+ QD  5.5  (#spindifreleasedfrom5.0to5.5on0911 )
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  91,  92,
 &end
#
#  11 ASP- HA     14 HIS  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HA     15 THR  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB3     8 ALA  QB  6.5  (#spindiff0515)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 109, 110, 111,
 &end
#
#  11 ASP- HB3     8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB2     8 ALA  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 109, 110, 111,
 &end
#
#  11 ASP- HB2     8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB3     7 ARG+ QD  5.5  (#0822cnnoeoutto5.5from5.0on0911spindif?)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  91,  92,
 &end
#
#  11 ASP- HB2     7 ARG+ QD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  91,  92,
 &end
#
#  11 ASP- HB3    12 GLN  QB  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
#  11 ASP- HB2    12 GLN  QB  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
#  12 GLN  HN     13 LEU  HN  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 GLN  HN     11 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HN      8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 GLN  HN      9 LEU  HA  4.0   
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 GLN  HN     12 GLN  HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HN     12 GLN  HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HA     15 THR  HB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 GLN  HB3     9 LEU  QQD 5.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#  12 GLN  HB3     8 ALA  QB  5.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 109, 110, 111,
 &end
#
#  13 LEU  HN     12 GLN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN     12 GLN  HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN     12 GLN  HG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HN     10 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN      9 LEU  HA  5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     16 LEU  HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     16 LEU  HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     17 LEU  QD2 5.0  (#poss to V229qg2)
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 264, 265, 266,
 &end
#
#  14 HIS  HN     14 HIS  HD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 HIS  HN     11 ASP- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 HIS  HN     12 GLN  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 THR  HN     16 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 THR  HN     12 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HN     16 LEU  HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HN     15 THR  QG2 5.0  (#released0515)
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  15 THR  HB     12 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HA     19 ASN  QD2 6.0  (#0822cnnoe-releasedfrom5to6spndif?0906)
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 290, 291,
 &end
#
#  15 THR  HA     19 ASN   HN 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LEU  HN     15 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     17 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     13 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     15 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  16 LEU  HA     15 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  16 LEU  QB     13 LEU  HA   4.0   (#0617hmqcnewlyassignedbeta)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 236, 237,
 &end
#
#  17 LEU  HN     16 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     18 SER  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     14 HIS  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 LEU  HN     16 LEU  HG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     18 SER  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 274, 275,
 &end
#
#  17 LEU  HN     17 LEU  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 260, 261, 262,
 &end
#
#  17 LEU  HN     17 LEU  QD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 264, 265, 266,
 &end
#
#  17 LEU  QD1    90 PHE  QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 260, 261, 262,
 igr2=1381,1389,
 &end
#
#  17 LEU  QD1    90 PHE  QE  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 260, 261, 262,
 igr2=1383,1387,
 &end
#
#  17 LEU  QD2    90 PHE  QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 264, 265, 266,
 igr2=1381,1389,
 &end
#
#  17 LEU  QD2    90 PHE  QE  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265, 266,
 igr2=1383,1387,
 &end
#
#  17 LEU  QQD    80 LEU  QQD 5.0LOWERLIMIT!!!!!!
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 4.50, r2= 5.00, r3= 25.00, r4= 25.50,
 igr1= 260, 261, 262, 264, 265, 266, 
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  17 LEU  HA     19 ASN  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 SER  HN     17 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 SER  HN     19 ASN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 SER  HN     19 ASN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 SER  HN     16 THR  HA  4.0   (#releasedfrom3.5/0612)
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HN     18 SER  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 ASN  HN     20 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 ASN  HN     16 LEU  HA  5.0  (#released,0622)
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 ASN  QD     21 ASP- QB  5.0  (#added0622)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 290, 291,
 igr2= 313, 314,
 &end
#
#  19 ASN  HB3    15 THR  HB  5.5  (#0822cnnoe-released5to5.5spndif?0907)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 ASN  HB3    15 THR QG2  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  19 ASN  HB3    16 LEU  HA  4.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HB3    16 LEU QQD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  19 ASN  HB2    15 THR  HB  6.5  (#0822cnnoe-released5to6.5spndif?0911)
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 222, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  19 ASN  HB2    15 THR QG2  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  19 ASN  HB2    16 LEU  HA  4.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HB2    16 LEU QQD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  20 THR  HN     21 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 THR  HN     19 ASN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 THR  HN     20 THR  QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 301, 302, 303,
 &end
#
#  21 ASP- HN     22 ALA  HN  4.5  (#wkerthanrecipbecauserecipcontainsovlpfromTHR48!!)
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  21 ASP- HN     20 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ALA  HN     23 THR  HN  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ALA  HA     25 LEU HB2  4.5  (#0607hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 ALA  HA     25 LEU HB3  4.5  (#0607hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 ALA  HA     25 LEU QQD  5.0  (#0620hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 361, 362, 363, 365, 366, 367,
 &end
#
#  22 ALA  QB     23 THR QG2  5.5  (#0703hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 325, 326, 327,
 igr2= 337, 338, 339,
 &end
#
#  22 ALA  QB     25 LEU QQD  5.0  (#0703hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 325, 326, 327,
 igr2= 361, 362, 363, 365, 366, 367,
 &end
#
#  23 THR  HN     24 GLY  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 THR  HN     22 ALA  HN  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 THR  HN     25 LEU  QD1 6.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 361, 362, 363,
 &end
#
#  23 THR  HA     26 GLU- HB3 4.5  (#0607hmqcnoe-releasedto3.8on0924to4.0on0926to4.5on1002)
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 THR  HA     26 GLU- QG  5.4  (#releasedto5.2on0924to5.4on0926)
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 378, 379,
 &end
#
#  24 GLY  HN     25 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 GLY  HN     23 THR  QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 337, 338, 339,
 &end
#
#  24 GLY  QA     23 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 347, 348,
 igr2= 337, 338, 339,
 &end
#
#  25 LEU  HN     24 GLY  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 LEU  HN     26 GLU- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 LEU  HN     22 ALA  HA  5.0  (#weakincnnoe3.5to5.0on1010)
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU  HN     23 THR  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU  HN     25 LEU  HG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU QQD     90 PHE  QE  4.0  (#hmqcnoe0517)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1383,1387,
 &end
#
#  25 LEU QQD     90 PHE  QD  5.0  (#hmqcnoevwkspinddif?0517)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1381,1389,
 &end
#
#  25 LEU QQD     80 LEU  QQD 4.5  (#hmqcnoeABSOLUTELEY!!0615)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  26 GLU- HN     23 THR  HA  4.5  (#released3.5to4.0on0619releasedfrom4.0to4.5on0925)
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  26 GLU- HA     29 ASP- QB  4.0  (#releasedon0622)
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 424, 425,
 &end
#
#  26 GLU- QG     27 GLU- HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 378, 379,
 &end
#
#  26 GLU- QG     27 GLU- HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 378, 379,
 &end
#
#  27 GLU- HN     28 ILE  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 GLU- HN     24 GLY  QA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 347, 348,
 &end
#
#  27 GLU- HN     25 LEU  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  27 GLU- HN     28 ILE  QG1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 411, 412,
 &end
#
#  27 GLU- HN     30 ARG+ HD3 6.0  (#0822cnnoe-changedto5.5on0910spindiff-outto6.0on0924)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 ILE  HN     29 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     27 GLU- HN  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 ILE  HN     28 ILE  HG13 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     28 ILE  HG12 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     25 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     26 GLU- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 ILE  HA     31 ALA  QB  4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 460, 461, 462,
 &end
#
#  28 ILE  HB     90 PHE  QE  6.5  (#FENOEpossspindiff)
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1383,1387,
 &end
#
#  28 ILE  HB     25 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  QG2    80 LEU QD1 4.5  (#0602hmqcnoebeefedupfrom5to4.5on0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 407, 408, 409,
 igr2=1229,1230,1231,
 &end
#
#  28 ILE  QG2    80 LEU QD2 4.5  (#0602hmqcnoeasaboveline)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 407, 408, 409,
 igr2=1233,1234,1235,
 &end
#
#  28 ILE  QG2    90 PHE QD  5.5  (#1002cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 407, 408, 409,
 igr2=1381,1389,
 &end
#
#  28 ILE  QG2    90 PHE HZ  4.0  (#0602hmqcnoe#beefedupto4.0on0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 407, 408, 409,
 &end
#
#  28 ILE  QD1    90 PHE HZ  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 414, 415, 416,
 &end
#
#  28 ILE  HA     90 PHE HZ  6.0  (#ambiguousheorhz0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 ILE  HA     32 LEU HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HN     30 ARG+ HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     28 ILE  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     25 LEU  HA  4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 ASP- HN     26 GLU- HA  3.5  (#ifat4.20->quite strong!releasedto3.5from3.2)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     30 ARG+ HG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HN     30 ARG+ HG3 5.5  (#releasedfrom5.0to5.5on0924)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ASP- HN     28 ILE  QG2 5.0   
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 407, 408, 409,
 &end
#
#  29 ASP- HN     28 ILE  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 414, 415, 416,
 &end
#
#  29 ASP- HN     28 ILE  QG1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 411, 412,
 &end
#
#  29 ASP- HB2    98 TYR  QE  5.0  (#hmqcnoe0602)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  29 ASP- HB2    34 ILE  QD1 5.0  (#cnnoe0822)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 505, 506, 507,
 &end
#
#  29 ASP- HA     32 LEU  QQD 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  29 ASP- HA     34 ILE   HB 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 496, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HA     34 ILE  QD1 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 505, 506, 507,
 &end
#
#  29 ASP- HA     34 ILE  QG2 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#  29 ASP- HA     32 LEU   HN 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 ARG+ HN     29 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 ARG+ HN     27 GLU- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 ARG+ HN     30 ARG+ QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 442, 443,
 &end
#
#  30 ARG+ HN     30 ARG+ QG  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 439, 440,
 &end
#
#  30 ARG+ QB     27 GLU- HA  4.0  (#tightened0623)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 437,
 &end
#
#  31 ALA  HN     28 ILE  HA  3.5  (#beefedup0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 ALA  HN     29 ASP- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ALA  HN     30 ARG+ QG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 439, 440,
 &end
#
#  32 LEU  HN     33 GLY  HN  2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  32 LEU  HN     30 ARG+ HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 LEU  HN     32 LEU  HG  3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  32 LEU  QD2    90 PHE  QD  6.0  (#hmqcnoe 0508spindif )
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 479, 480, 481,
 igr2=1381,1389,
 &end
#
#  32 LEU  QD1    90 PHE  QD  6.0  (#hmqcnoe 0508spindif)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 475, 476, 477,
 igr2=1381,1389,
 &end
#
#  32 LEU  QD2    90 PHE  QE  4.5  (#hmqcnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 479, 480, 481,
 igr2=1383,1387,
 &end
#
#  32 LEU  QD1    90 PHE  QE  4.5  (#hmqcnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 475, 476, 477,
 igr2=1383,1387,
 &end
#
#  32 LEU  QD1    80 LEU QD1  4.5  (#HMQCNOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 475, 476, 477,
 igr2=1229,1230,1231,
 &end
#
#  32 LEU  QD1    80 LEU QD2  4.5  (#cnnoe0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 475, 476, 477,
 igr2=1233,1234,1235,
 &end
#
#  32 LEU  QD2    80 LEU QD1  4.5  (#hmqcnoe0530)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 479, 480, 481,
 igr2=1229,1230,1231,
 &end
#
#  32 LEU  QD2    80 LEU QD2  5.0  (#cnnoe0822-releasedto5.0from4.5on0920)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 479, 480, 481,
 igr2=1233,1234,1235,
 &end
#
#  33 GLY  HN     31 ALA  HA  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  33 GLY  HN     32 LEU  HG  5.0   (#releasedby0.5Angon0611another0.5on0615)
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  HB2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  HB3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  QQD 4.5  
 &rst
  ixpk= 508, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  34 ILE  HN     33 GLY  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     32 LEU  HA  4.5  
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  34 ILE  HN     35 PRO  HD3 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     35 PRO  HD2 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     34 ILE  QG2 4.5   
 &rst
  ixpk= 508, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#  34 ILE  QD1     90 PHE  QD  6.5  (#possspindif)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 505, 506, 507,
 igr2=1381,1389,
 &end
#
#  34 ILE  QD1     90 PHE  HZ  5.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 505, 506, 507,
 &end
#
#  34 ILE  QG2    98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 498, 499, 500,
 igr2=1529,1538,
 &end
#
#  34 ILE  QG2    98 TYR  QE  5.0  (#)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 498, 499, 500,
 igr2=1531,1536,
 &end
#
#  34 ILE  HA     35 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 513,
 &end
#
#  34 ILE  HA     37 LEU  HB2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HA     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 ILE  HA     37 LEU  HB3 4.0  (#releasedfrom3.5to4.0on0927)
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  34 ILE  HB     98 TYR  QE  6.5  (#FENOEpossspindif)
 &rst
  ixpk= 508, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1531,1536,
 &end
#
#  34 ILE  HA     38 VAL  HN  4.5  (#0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  35 PRO  QD     38 VAL  QG2  6.5     (#RELEASED NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 512, 513,
 igr2= 569, 570, 571,
 &end
#
#  35 PRO  QD     98 TYR  QE  5.5  (#cnnoe0822)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 512, 513,
 igr2=1531,1536,
 &end
#
#  35 PRO  QD     34 ILE  QG2  4.5  (#0602hmqcnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513,
 igr2= 498, 499, 500,
 &end
#
#  35 PRO  HA     38 VAL  HB   3.5  (#0606hmqcnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 521, 563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 PRO  HA     98 TYR  QE   5.0   (#cnnoe0822)
 &rst
  ixpk= 508, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  36 GLU- HN     37 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 GLU- HN     33 GLY  QA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 487, 488,
 &end
#
#  36 GLU- HN     34 ILE  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 GLU- HN     35 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 513,
 &end
#
#  36 GLU- HN     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 LEU  HN     38 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     33 GLY  QA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 487, 488,
 &end
#
#  37 LEU  HN     34 ILE  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     37 LEU  HG  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     37 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 549, 550, 551,
 &end
#
#  37 LEU  HN     37 LEU  QD2 5.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 553, 554, 555,
 &end
#
#  37 LEU  HA     40 GLN  QG  5.0  (#0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 596, 597,
 &end
#
#  38 VAL  HN     39 ASN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     37 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     35 PRO  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  QQG    98 TYR  QD  5.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2=1529,1538,
 &end
#
#  38 VAL  QQG    98 TYR  QE  4.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2=1531,1536,
 &end
#
#  38 VAL  HB     35 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 563, 521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  QQG    34 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2= 498, 499, 500,
 &end
#
#  39 ASN  HN     38 VAL  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 575, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASN  HN     36 GLU- HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 575, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 GLN  HN     39 ASN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 GLN  HN     36 GLU- HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 GLN  HN     38 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 GLN  HN     40 GLN  QG  5.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 596, 597,
 &end
#
#  41 GLY  HN     40 GLN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 606, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  41 GLY  HN     40 GLN  QG  5.5  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 596, 597,
 &end
#
#  41 GLY  HN     37 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 606, 542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLN  HN     42 GLN  QG  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 620, 621,
 &end
#
#  43 ALA  HN     44 LEU  HN  5.0  (#AMBIGUOUS)
 &rst
  ixpk= 508, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 LEU  HN     44 LEU  HG  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 640, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 LEU  HN     44 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 649, 650, 651,
 &end
#
#  44 LEU  HN     44 LEU  QD2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 653, 654, 655,
 &end
#
#  12 GLN  HE22   13 LEU  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 186, 187,
 &end
#
#  12 GLN  HE22   13 LEU  QD1 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 191, 192, 193,
 &end
#
#  12 GLN  HE22   13 LEU  QD2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 195, 196, 197,
 &end
#
#  7 ARG+ HH22   7 ARG+ QB  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  85,  86,
 &end
#
#   51 SER  HA   52 ILE  HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 767, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 ILE  HA   83 ASN  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat= 778,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 ILE  HA   53 SER  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat= 778, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 ILE  QD1   6 GLU- QG  5.0  (#fenoe0602)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 789, 790, 791,
 igr2=  73,  74,
 &end
#
#  55 SER  HN   56 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 820, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 ALA  HN   55 SER  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 831, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 ALA  HN   57 LEU  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 845, 846,
 &end
#
#  56 ALA  HN   57 LEU  QD2 6.5  (#RELEASED NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 854, 855, 856,
 &end
#
#  57 LEU  HN   58 GLN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  57 LEU  HN   54 PRO  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 841, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  57 LEU QD1    9 LEU  HB3 5.0  (#CNOE0520-noalternatives!-uniquepk)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 850, 851, 852,
 &end
#
#  57 LEU QD2    9 LEU  HB3 5.0  (#CNOE0520-noalternatives!-uniquepk)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 854, 855, 856,
 &end
#
#  57 LEU QD1    9 LEU  HB2 5.0  (#Cnoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 850, 851, 852,
 &end
#
#  57 LEU QD2    9 LEU  HB2 5.0  (#cnoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 854, 855, 856,
 &end
#
#  57 LEU QQD    9 LEU  QD1 5.0  (#fenoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 124, 125, 126,
 &end
#
#  57 LEU QQD    9 LEU  QD2 5.0  (#fenoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 128, 129, 130,
 &end
#
#  58 GLN  HN   57 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 860, 841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  58 GLN  HN   55 SER  HA  3.5  (#0525cnoetight)
 &rst
  ixpk= 508, nxpk= 0, iat= 860, 822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  58 GLN  HN   56 ALA  QB  6.0
 &rst
  ixpk= 508, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 835, 836, 837,
 &end
#
#  59 ASP- HN   60 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HN   61 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HB2  56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HB3  56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HN   58 GLN  HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   58 GLN  HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   56 ALA  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 835, 836, 837,
 &end
#
#  59 ASP- HA   79 ILE  QD1 5.5  (#CNOE-0508WE'LL SEE!!)
 &rst
  ixpk= 508, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1214,1215,1216,
 &end
#
#  59 ASP- QB   79 ILE  QD1 5.0  (#CNOE-0509(NO FENOE PK))
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 881, 882,
 igr2=1214,1215,1216,
 &end
#
#  60 LEU  HN   61 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 LEU  HN   59 ASP-  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 LEU  HN   56 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HN   57 LEU  HA  4.5   (#cnoetightnottoostrong4.5on0702)
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 LEU  HA   63 THR  QG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 957, 958, 959,
 &end
#
#  60 LEU HB3   80 LEU  QQD 7.0  (#CNOE0508spindiff?releasedfrom5.0on0616)
 &rst
  ixpk= 508, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  60 LEU HB3   79 ILE  QD1 5.0  (#CNOE0521)
 &rst
  ixpk= 508, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1215,1216,
 &end
#
#  61 LEU  HN   60 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 908, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 LEU  HN   62 ARG+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 LEU QQD    9 LEU QB  5.0  (#spindiff??surepeak/sureassignment)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 917, 918, 919, 921, 922, 923,
 igr2= 119, 120,
 &end
#
#  61 LEU QQD   12 GLN  QG  5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 917, 918, 919, 921, 922, 923,
 igr2= 172, 173,
 &end
#
#  62 ARG+ HN   61 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG+ HN   63 THR  HN  2.8
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  62 ARG+ HN   59 ASP- HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG+ HN   62 ARG+ HG3 4.2
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ARG+ HN   62 ARG+ HG2 4.2  
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ARG+ HN   61 LEU  QD1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 917, 918, 919,
 &end
#
#  62 ARG+ HN   61 LEU  QD2 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 921, 922, 923,
 &end
#
#  63 THR  HN   64 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  HN   62 ARG+ HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  HN   62 ARG+ HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  QG2  16 LEU  QQD 4.5  (#FENOE0531unsureof16assignmentreleasedfrom4.0to4.5on0705)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 957, 958, 959,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  63 THR  QG2  17 LEU  QD1 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2= 260, 261, 262,
 &end
#
#  63 THR  QG2  17 LEU  QD2 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2= 264, 265, 266,
 &end
#
#  63 THR  QG2  76 VAL  HA  4.5  (#cnnoe!!0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 957, 958, 959,
 &end
#
#  63 THR  QG2  76 VAL  QG2 5.0  (#cnnoe!!0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU  HN   63 THR  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 965, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN   65 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 965, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN   64 LEU QD1  5.0   (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  64 LEU  HN   64 LEU QD1  5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  64 LEU HB2   76 VAL QG2  6.5  (#CNOE0508spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD1   76 VAL QG2  5.0  (#CNOE0509)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 974, 975, 976,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD1   90 PHE  QD  5.5  (#CNOE0509from5.0to5.5on0907spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2=1381,1389,
 &end
#
#  64 LEU QD1   90 PHE  QE  4.5  (#CNOE0509outto5.0on0526)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2=1383,1387,
 &end
#
#  64 LEU QD2   76 VAL QG2  5.0  (#CNOE0509)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 978, 979, 980,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD2   90 PHE  QD  5.0  (#CNOE0509andcnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 978, 979, 980,
 igr2=1381,1389,
 &end
#
#  64 LEU QD2   90 PHE  QE  4.5  (#medium0521(HZorHE?)andcnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 978, 979, 980,
 igr2=1383,1387,
 &end
#
#  64 LEU QQD   80 LEU QQD  5.5  (#CNOE0509 #NOEStoLEU233aretherbutwk0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 974, 975, 976, 978, 979, 980,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  64 LEU QQD   17 LEU HB3  5.0  (#fenoeDEFINITE!!0617)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#  65 LYS+ HN   64 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 LYS+ HN   65 LYS+ HG3 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 LYS+ HN   65 LYS+ HG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  65 LYS+ HN   64 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  65 LYS+ HN   64 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  66 SER  HN   65 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1006, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 SER  HN   63 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1006, 953, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 SER  HN   68 SER  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1042,1031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 SER  HA   70 PRO  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1044,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   72 GLN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   70 PRO  HD3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   70 PRO  HD2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1054, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 VAL  HN   77 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76 VAL  HN   75 GLN  HA  4.2
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76 VAL  HN   77 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 VAL  QG1  90 PHE  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1158,1159,1160,
 igr2=1381,1389,
 &end
#
#  76 VAL  QG2  90 PHE  QE  6.0  (#ovlpHZ)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1162,1163,1164,
 igr2=1383,1387,
 &end
#
#  76 VAL  QG1  90 PHE  QE  6.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1158,1159,1160,
 igr2=1383,1387,
 &end
#
#  76 VAL  QG1  80 LEU  QQD 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1158,1159,1160,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  76 VAL  QG1   17 LEU  QQD 6.0  (#FENOE0515Spindiff??0518)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1158,1159,1160,
 igr2= 260, 261, 262, 264, 265, 266,
 &end
#
#  76 VAL  QG2   28 ILE  QD1 3.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1162,1163,1164,
 igr2= 414, 415, 416,
 &end
#
#  76 VAL  QG1   28 ILE  QD1 4.0  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1158,1159,1160,
 igr2= 414, 415, 416,
 &end
#
#  76 VAL  QG2   28 ILE HG12 4.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1162,1163,1164,
 &end
#
#  76 VAL  QG2   28 ILE HG13 4.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1162,1163,1164,
 &end
#
#  76 VAL  QG1   28 ILE HG12 5.0  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1158,1159,1160,
 &end
#
#  77 LEU  HN   76 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 LEU  HN   78 ASN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 LEU  HN   74 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 LEU  HN   77 LEU  QD1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1177,1178,1179,
 &end
#
#  77 LEU  HN   77 LEU  QD2 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1181,1182,1183,
 &end
#
#  77 LEU  HN   76 VAL  QG1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1158,1159,1160,
 &end
#
#  77 LEU  QD1  80 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1177,1178,1179,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QQD  90 PHE  QD  5.0  (#spindiff?0512)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2=1381,1389,
 &end
#
#  77 LEU  QQD  90 PHE  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2=1383,1387,
 &end
#
#  77 LEU  QD1  80 LEU  QD2 5.5  (#0530cnoeconfirmreleased0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1177,1178,1179,
 igr2=1233,1234,1235,
 &end
#
#  77 LEU  QD1  80 LEU  QD1 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1177,1178,1179,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QD2  80 LEU  QD2 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1181,1182,1183,
 igr2=1233,1234,1235,
 &end
#
#  77 LEU  QD2  80 LEU  QD1 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1181,1182,1183,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QQD  32 LEU  QQD 3.5  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  77 LEU  QQD  32 LEU  HA  5.0  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1177,1178,1179,1181,1182,1183,
 &end
#
#  77 LEU  QQD  31 ALA  QB  3.5  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2= 460, 461, 462,
 &end
#
#  78 ASN  HN   77 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ASN  HN   79 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ASN  HN   75 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HN   74 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   81 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   80 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   78 ASN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   76 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   79 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1207,1208,1209,
 &end
#
#  80 LEU  HN   81 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 LEU  HN   79 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 LEU  HN   77 LEU  HA  3.5   (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 LEU  HN   79 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1207,1208,1209,
 &end
#
#  80 LEU  HN   79 ILE  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1215,1216,
 &end
#
#  80 LEU  QD1  90 PHE  QD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1229,1230,1231,
 igr2=1381,1389,
 &end
#
#  80 LEU  QD2  90 PHE  QE  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1233,1234,1235,
 igr2=1383,1387,
 &end
#
#  80 LEU  QQD  76 VAL  QG2 5.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1229,1230,1231,1233,1234,1235,
 igr2=1162,1163,1164,
 &end
#
#  81 LYS+ HN   80 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS+ HN   78 ASN  HA  4.0  (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  81 LYS+ HN   77 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS+ HN   80 LEU  QQD 5.5
 &rst
  ixpk= 508, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  82 SER  HA   83 ASN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 SER  QB   83 ASN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1265,1266,
 &end
#
#  82 SER  HA   83 ASN  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 SER  HA   83 ASN  HB3 6.5  (#CNOEspindif0512)
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  83 ASN  HN   84 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 ASN  HN   84 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1287,1288,
 &end
#
#  83 ASN  QD2  84 PRO  HD2 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1281,1282,
 &end
#
#  83 ASN  QD2  84 PRO  HD3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1281,1282,
 &end
#
#  85 GLN  HN   86 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1300,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 GLN  HN   84 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1287,1288,
 &end
#
#  86 LEU  HN   85 GLN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   87 MET  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 LEU  HN   88 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   84 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   83 ASN  HB3 6.5  (#possspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  86 LEU  HN   83 ASN  HB2 5.2
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1276, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  86 LEU  HN   85 GLN  HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   85 GLN  HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   80 LEU  QD2 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1233,1234,1235,
 &end
#
#  86 LEU QQD   90 PHE  QD  4.5  (#cnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1381,1389,
 &end
#
#  86 LEU QQD   90 PHE  QE  5.5  (#cnoe 0508releasedto5.5spindif?0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1383,1387,
 &end
#
#  86 LEU QQD   80 LEU  QD1 5.0  (#cnoe 0508spindiff?0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1229,1230,1231,
 &end
#
#  86 LEU QQD   80 LEU  QD2 5.0  (#cnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1233,1234,1235,
 &end
#
#  86 LEU QQD    16 LEU  QQD 4.3  (#fenoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  86 LEU QQD    16 LEU  HB2 6.0  (#fenoe 0508spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#  86 LEU QQD    16 LEU  HB3 5.0  (#fenoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#  87 MET  HN   87 MET  QE  6.5  (#spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1347,1348,1349,
 &end
#
#  87 MET  QE   90 PHE  QD  5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2=1381,1389,
 &end
#
#  87 MET  QE   80 LEU  QD1 5.5  (#cnoeexpoutspindif?0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1347,1348,1349,
 igr2=1229,1230,1231,
 &end
#
#  87 MET  QE   90 PHE  QE  5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2=1383,1387,
 &end
#
#  87 MET  QE   80 LEU  QD2 5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1347,1348,1349,
 igr2=1233,1234,1235,
 &end
#
#  87 MET  QE   91 ILE  QD1 4.0  (#CNOE0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1347,1348,1349,
 igr2=1406,1407,1408,
 &end
#
#  87 MET  QE   32 LEU  QQD 3.5  (#CNOE0501FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1347,1348,1349,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  87 MET  QE   32 LEU   QB 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2= 470, 471,
 &end
#
#  88 ALA  HN   87 MET  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  88 ALA  HN   89 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 ALA  HN   85 GLN  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ALA  HN   88 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1363,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ALA  HN   90 PHE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1363,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   91 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   89 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 PHE  HN   87 MET  HA  3.5   (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   90 PHE  QD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1381,1389,
 &end
#
#  90 PHE  HN   80 LEU  QD1 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  HN   80 LEU  QD2 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QD   91 ILE  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1381,1389,
 &end
#
#  90 PHE  QD   91 ILE  HG13 5.5  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1381,1389,
 &end
#
#  90 PHE  QD   76 VAL  QG1  5.0    (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1158,1159,1160,
 &end
#
#  90 PHE  QD   80 LEU  QD1  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  QD   80 LEU  QD2  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QE   76 VAL  QQG  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1383,1387,
 igr2=1158,1159,1160,1162,1163,1164,
 &end
#
#  90 PHE  QE   80 LEU  QD2  6.5  (#CNOEpossspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1383,1387,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QE   80 LEU  QD1  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1383,1387,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  HZ   80 LEU  QQD  5.5  (#CNOEpossspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  91 ILE  HN   90 PHE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 ILE  HN   92 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 ILE  HN   88 ALA  HA  3.5   (#cnoe tight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 ILE  HN   91 ILE  QG1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1403,1404,
 &end
#
#  91 ILE  HN   91 ILE  QG2 5.0   (#outto5.0on0504)
 &rst
  ixpk= 508, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1399,1400,1401,
 &end
#
#  91 ILE QD1    34 ILE  QD1 5.0   (#FENOE0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1406,1407,1408,
 igr2= 505, 506, 507,
 &end
#
#  91 ILE QD1    32 LEU  QQD 3.5   (#FENOESTRONG0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1406,1407,1408,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  91 ILE QG2    34 ILE  QD1 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1399,1400,1401,
 igr2= 505, 506, 507,
 &end
#
#  91 ILE QG2    32 LEU  QQD 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1399,1400,1401,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  91 ILE QD1    32 LEU  HA  4.5  (#FENOEandCNNOE0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1406,1407,1408,
 &end
#
#  91 ILE HG12   90 PHE  QD  4.5  (#0603cnnoetightened0622)
 &rst
  ixpk= 508, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1381,1389,
 &end
#
#  91 ILE HG12   88 ALA  HA  5.0  (#0603cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=1403,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 ILE QD1    80 LEU  QD1 5.5  (#cnnoewkbutdefthere0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1406,1407,1408,
 igr2=1229,1230,1231,
 &end
#
#  91 ILE QD1    80 LEU  QD2 5.5  (#cnnoewkbutdefthere0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1406,1407,1408,
 igr2=1233,1234,1235,
 &end
#
#  91 ILE QD1    87 MET  QB  4.0  (#cnnoe0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1406,1407,1408,
 igr2=1340,1341,
 &end
#
#  92 LYS+ HN   91 ILE  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS+ HN   90 PHE  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS+ HN   88 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94 ARG+ HG2  90 PHE  QD  5.0  (#CNOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1381,1389,
 &end
#
#  94 ARG+ HG2  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1383,1387,
 &end
#
#  94 ARG+ HG3  90 PHE  QD  5.0  (#CNOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1381,1389,
 &end
#
#  94 ARG+ HG3  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1383,1387,
 &end
#
#  94 ARG+ HG3   34 ILE QG2  5.0  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#  94 ARG+  QG   34 ILE QD1  5.0  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1458,1459,
 igr2= 505, 506, 507,
 &end
#
#  94 ARG+  QB   34 ILE QD1  4.5  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1455,1456,
 igr2= 505, 506, 507,
 &end
#
#  94 ARG+  QB  98 TYR  QE  5.0  (#CNOE0508wkbutthere0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1455,1456,
 igr2=1531,1536,
 &end
#
#  94 ARG+  QD  90 PHE  QD  5.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1461,1462,
 igr2=1381,1389,
 &end
#
#  94 ARG+  QD  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1461,1462,
 igr2=1383,1387,
 &end
#
#  94 ARG+  QD   34 ILE QG2  6.0  (#FENOE0508#spindif0527?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1461,1462,
 igr2= 498, 499, 500,
 &end
#
#  94 ARG+  QD   34 ILE QD1  5.0  (#FENOE0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1461,1462,
 igr2= 505, 506, 507,
 &end
#
#  95 THR  HN   94 ARG+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1475,1451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  95 THR  HN   96 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1475,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 THR  HN   95 THR  QG2 3.8
 &rst
  ixpk= 508, nxpk= 0, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1481,1482,1483,
 &end
#
#  95 THR  HA   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  95 THR  HA   98 TYR  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  95 THR  HB   98 TYR  QD  5.5   (#backin0616definitereleasedthoughto5.5from4.0on622spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1529,1538,
 &end
#
#  95 THR QG2   34 ILE  QG2  4.5   (#FENOE0518ADDBACKIN0531   )
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1481,1482,1483,
 igr2= 498, 499, 500,
 &end
#
#  95 THR QG2    38 VAL  QQG  3.5   (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1481,1482,1483,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  95 THR QG2    38 VAL   HB  4.5   (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1481,1482,1483,
 &end
#
#  96 ALA  HN   97 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   95 THR  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   94 ARG+ HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   95 THR  QG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1481,1482,1483,
 &end
#
#  96 ALA  HA   99 VAL  HB  5.0  (#released-shouldbe3.5,butbadEpenalty0616  )
 &rst
  ixpk= 508, nxpk= 0, iat=1491,1546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 LYS+ HN   96 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  97 LYS+ HN   98 TYR  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  97 LYS+ HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 LYS+ HB3  98 TYR  QE  6.5  (#0508CNOEspindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1531,1536,
 &end
#
#  97 LYS+ HB3  98 TYR  QD  6.5  (#0508CNOESPINDIFF?)
 &rst
  ixpk= 508, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG2  98 TYR  QD  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG3  98 TYR  QE  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  97 LYS+ HG2  98 TYR  QD  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG3  98 TYR  QE  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  98 TYR  HN   97 LYS+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  98 TYR  HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 TYR  HN   96 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 TYR  HN   98 TYR  QD  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1529,1538,
 &end
#
#  98 TYR  QB    38 VAL  HB  5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1525,1526,
 &end
#
#  98 TYR  QB    38 VAL  QQG 4.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1525,1526,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  98 TYR  QB    34 ILE  QG2 5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1525,1526,
 igr2= 498, 499, 500,
 &end
#
#  98 TYR  QB    34 ILE  HB  6.0  (#FENOE  releasedspindiff??0615released5.5to6.0on1016)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1525,1526,
 &end
#
#  98 TYR  QE    29 ASP-  HA  6.0  (#FENOEposssdiffcut0504ADDED0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#  98 TYR  QE    34 ILE  HA  5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1531,1536,
 &end
#
#  98 TYR  QD    34 ILE  HA  5.5  (#FENOE #spindiff0515?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1529,1538,
 &end
#
#  98 TYR  QD    95 THR  HA  4.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1529,1538,
 &end
#
#  98 TYR  QE    95 THR  QG2 5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1531,1536,
 igr2=1481,1482,1483,
 &end
#
#  98 TYR  QD    99 VAL  QQG 4.5  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1529,1538,
 igr2=1548,1549,1550,1552,1553,1554,
 &end
#
#  98 TYR  QD    95 THR  HB  6.0  (#CNOE spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#  99 VAL  HN   100 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  99 VAL  HN   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  99 VAL  HN   96 ALA  HA  5.0  (#releasedbigtimefrom3.5on0619)
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 VAL  HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 VAL QQG   38 VAL  HB  5.0   (#FENOE-ADDED0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QQG   38 VAL  HA  5.0   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QG1   38 VAL QQG  3.5   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,1550,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  99 VAL QG2   38 VAL QQG  4.0   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1552,1553,1554,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  99 VAL QQG   38 VAL  HA  5.0   (#FENOE-0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QQG   38 VAL  HB  4.2   (#FENOE-0615-releasedfrom4.0to4.2on0924)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QG1   98 TYR  QD  5.0   (#CNOE-0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,
 igr2=1529,1538,
 &end
#
#  99 VAL QG2   98 TYR  QD  6.0   (#CNOE-0615spindif??released0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1552,1553,1554,
 igr2=1529,1538,
 &end
#
#  100 ALA  HN   99 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1558,1542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ALA  HN   96 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1558,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ASN  HN   100 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 ASN  HN    99 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1568,1544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 GLN  HN   100 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1582,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 GLN  HN   100 ALA  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1562,1563,1564,
 &end
#
#  102 GLN  QG   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1589,1590,
 igr2=1529,1538,
 &end
#
#  102 GLN  QG   98 TYR  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1589,1590,
 igr2=1531,1536,
 &end
#
#   90 PHE   HN   80 LEU  QQD  6.5  (#spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   76 VAL   HA   78 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL   HA   80 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL   HA   79 ILE   HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 THR   HA   66 SER   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 953,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR   HA   98 TYR   HN  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1477,1521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 ILE   HA   90 PHE   QE  5.5  (#spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1387,
 &end
#
#   91 ILE   HA   94 ARG+  HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1395,1451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO   HA   87 MET   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1296,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO   HA   86 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1296,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ILE   HA   82 SER   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1203,1261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 PHE   HA   94 ARG+  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1375,1451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ILE   HA   49 ASN   HA  4.5 
 &rst
  ixpk= 508, nxpk= 0, iat= 778, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 MET   HA   91 ILE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1338,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 LYS+  HA   83 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1241,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU   HA   79 ILE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1170,1201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 LEU   HA   83 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1222,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LEU   HA   61 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 843, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 LEU   HA   63 THR   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 891, 951, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LYS+  HA  100 ALA   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1501,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 LEU   HA   89 ALA   HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1319,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 LEU   HA   90 PHE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1319,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 SER   HA   71 GLN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1044,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 ASN   HA   80 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1189,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ARG+  HA   97 LYS+  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1453,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ALA   HA   90 PHE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1355,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ALA   HA   92 LYS+  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1365,1412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 ALA   HA   93 GLN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1365,1434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU   HA   80 LEU  QQD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   63 THR   HB   79 ILE  QD1  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1214,1215,1216,
 &end
#
#   63 THR   HB   79 ILE   HB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 955,1205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 PRO  HB2   83 ASN   HA  6.5  (#spindif?0526)
 &rst
  ixpk= 508, nxpk= 0, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   84 PRO  HB3   83 ASN   HA  5.5
 &rst
  ixpk= 508, nxpk= 0, iat=1294,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LYS+ HB2   62 ARG+  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 988, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LYS+ HB3   62 ARG+  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 989, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 ARG+  HE   98 TYR   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#   94 ARG+  HE   34 ILE  QG2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#   64 LEU  HB2   61 LEU   HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 969, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 LEU  HB3   61 LEU   HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 970, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LYS+ HD2   93 GLN   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1446,1447,
 &end
#
#   97 LYS+ HD3   93 GLN   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1446,1447,
 &end
#
#   87 MET  HG2   80 LEU  QQD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   87 MET  HG3   80 LEU  QQD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   87 MET  HG2   86 LEU  QQD  5.0  (#released0527)
 &rst
  ixpk= 508, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   87 MET  HG3   86 LEU  QQD  6.5  (#spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   94 ARG+ HB2    98 TYR  QE   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#   94 ARG+ HB2    94 ARG+ HE   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1455,1464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 ARG+ HB2    34 ILE  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#   94 ARG+ HB3    34 ILE  QD1  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 505, 506, 507,
 &end
#
#   94 ARG+ HB3    34 ILE  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#   91 ILE  QG1    90 PHE  QD   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1403,1404,
 igr2=1381,1389,
 &end
#
#   75 GLN  HA     78 ASN  HB2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA     78 ASN  HB3  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 ARG+ HE     98 TYR  HD   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#   94 ARG+ HE     98 TYR  HE   4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1531,1536,
 &end
#
#   94 ARG+ HE     94 ARG+ HA   4.5  (#added0622)
 &rst
  ixpk= 508, nxpk= 0, iat=1464,1453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLN  HA     79 ILE  QD1  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1214,1215,1216,
 &end
#
#   75 GLN  HA     63 THR  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  HA     76 VAL  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 GLN  HA     88 ALA  QB   3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1357,1358,1359,
 &end
#
#   79 ILE  QG1    76 VAL  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1212,
 &end
#
#   75 GLN  QB     79 ILE  QD1  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1139,1140,
 igr2=1214,1215,1216,
 &end
#
#   75 GLN  QB     63 THR  QG2  4.0   (#releasedfrom3.5to4.0on0927)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1139,1140,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  QB     76 VAL  QG1  6.0    (#released0702)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1139,1140,
 igr2=1158,1159,1160,
 &end
#
#   86 LEU  QQD    80 LEU  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   81 LYS+ HD2    78 ASN  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1249,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 LYS+ HD3    78 ASN  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LEU  QQD    54 PRO  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   80 LEU  HG     76 VAL  QG2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1162,1163,1164,
 &end
#
#   80 LEU  QD1    90 PHE  HB2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD1    90 PHE  HB3  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD2    90 PHE  HB2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#   80 LEU  QD2    90 PHE  HB3  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#   80 LEU  QD1    77 LEU  HA   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD2    77 LEU  HA   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1233,1234,1235,
 &end
#
#   63 THR  QG2    75 GLN  HE21 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 957, 958, 959,
 &end
#
#   63 THR  QG2    75 GLN  HE22 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 957, 958, 959,
 &end
#
#   64 LEU  QQD    75 GLN  HE22 4.0  (#-recipnoesthere)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#   64 LEU  QQD    75 GLN  HE21 4.0  (#-recipnoesthere)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#   76 VAL  QG1    75 GLN  HE21 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1158,1159,1160,
 &end
#
#   76 VAL  QG1    75 GLN  HE22 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1158,1159,1160,
 &end
#
#   75 GLN  HG2    63 THR  QG2  4.5  (#outfrom4.0to4.5on0912)
 &rst
  ixpk= 508, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  HG3    63 THR  QG2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:0        0 AMB  21-1:0      6.50    (#      0:21  Double Ambigpossspindif0611&616outto6.5)
 &rst
  ixpk= 0, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:1        0 AMB  21-1:1      5.50    (#      1:21  Double Ambig)
 &rst
  ixpk= 1, nxpk= 21, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:2        0 AMB  21-1:2      5.50    (#      2:21  Double Ambig)
 &rst
  ixpk= 2, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=  70, 516, 258,   8, 122, 533, 563,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:3        0 AMB  21-1:3      5.50    (#      3:21  Double Ambig)
 &rst
  ixpk= 3, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:4        0 AMB  21-1:4      5.50    (#      4:21  Double Ambig)
 &rst
  ixpk= 4, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 516, 258, 122, 141, 325, 326, 327,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:5        0 AMB  21-1:5      4.50    (#      5:21  Double Ambig)
 &rst
  ixpk= 5, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:6        0 AMB  21-1:6      5.50    (#      6:21  Double Ambig)
 &rst
  ixpk= 6, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:7        0 AMB  21-1:7      5.50    (#      7:21  Double Ambig)
 &rst
  ixpk= 7, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:8        0 AMB  21-1:8      5.50    (#      8:21  Double Ambig)
 &rst
  ixpk= 8, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 255, 138, 516, 544, 258, 122, 236, 356,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:9        0 AMB  21-1:9      5.50    (#      9:21  Double Ambig)
 &rst
  ixpk= 9, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 516, 239, 258, 122, 440, 471, 357, 189,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:10       0 AMB  21-1:10     4.50    (#     10:21  Double Ambig)
 &rst
  ixpk= 10, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 260, 261, 262,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:11       0 AMB  21-1:11     4.50    (#     11:21  Double Ambig)
 &rst
  ixpk= 11, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416,
       122, 569, 570, 571,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:12       0 AMB  21-1:12     4.50    (#     12:21  Double Ambig)
 &rst
  ixpk= 12, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 479, 480, 481, 128, 129, 130, 143, 144, 145,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:13       0 AMB  21-1:13     5.50    (#     13:21  Double Ambig)
 &rst
  ixpk= 13, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:14       0 AMB  21-1:14     5.50    (#     14:21  Double Ambig)
 &rst
  ixpk= 14, nxpk= 21, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:15       0 AMB  21-1:15     5.50    (#     15:21  Double Ambig)
 &rst
  ixpk= 15, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 323, 468, 422, 297,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:16       0 AMB  21-1:16     5.50    (#     16:21  Double Ambig)
 &rst
  ixpk= 16, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 516, 375, 405, 390,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:17       0 AMB  21-1:17     5.50    (#     17:21  Double Ambig)
 &rst
  ixpk= 17, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 255, 516, 544, 258, 122, 356,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:18       0 AMB  21-1:18     5.50    (#     18:21  Double Ambig)
 &rst
  ixpk= 18, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 496, 516, 239, 258, 122,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:19       0 AMB  21-1:19     4.50    (#     19:21  Double Ambig)
 &rst
  ixpk= 19, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416,
       122, 569, 570, 571,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:20       0 AMB  21-1:20     3.50    (#     20:21  Double Ambig)
 &rst
  ixpk= 20, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 260, 261, 262,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:21       0 AMB  21-1:21     4.50    (#     21:21  Double Ambig)
 &rst
  ixpk= 21, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:22      90 PHE  HZ          5.50    (#     22:21  Single Ambig)
 &rst
  ixpk= 22, nxpk= 21, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  21-2:23      90 PHE  HZ          5.50    (#     23:21  Single Ambig)
 &rst
  ixpk= 23, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 405,
 &end
#
#    0 AMB  21-2:24      90 PHE  HZ          6.00    (#     24:21  Single Ambig)
 &rst
  ixpk= 24, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 255, 516, 258, 122, 356,
 &end
#
#    0 AMB  21-2:25      90 PHE  HZ          5.50    (#     25:21  Single Ambig)
 &rst
  ixpk= 25, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 &end
#
#    0 AMB  21-2:26      90 PHE  HZ          4.50    (#     26:21  Single Ambig)
 &rst
  ixpk= 26, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 569, 570,
       571,
 &end
#
#    0 AMB  21-2:27      90 PHE  HZ          4.50    (#     27:21  Single Ambig)
 &rst
  ixpk= 27, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265, 266, 260, 261, 262,
 &end
#
#    0 AMB  21-2:28      90 PHE  HZ          4.50    (#     28:21  Single Ambig)
 &rst
  ixpk= 28, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 &end
#
#    0 AMB  21-2:31       0 AMB  21-1:31     5.50    (#     31:21  Double Ambig)
 &rst
  ixpk= 31, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 323, 591, 468, 335, 422, 632, 297,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:32       0 AMB  21-1:32     5.50    (#     32:21  Double Ambig)
 &rst
  ixpk= 32, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 494,  21,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:36       0 AMB  21-1:36     5.50    (#     36:21  Double Ambig)
 &rst
  ixpk= 36, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 169, 516,  34,  33, 173, 379, 378, 378, 621, 620,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:37       0 AMB  21-1:37     5.50    (#     37:21  Double Ambig)
 &rst
  ixpk= 37, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 516, 375, 390, 533,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:38       0 AMB  21-1:38     5.50    (#     38:21  Double Ambig)
 &rst
  ixpk= 38, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  71, 119, 518, 516, 258, 594, 122, 437, 436,  86,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:39       0 AMB  21-1:39     5.50    (#     39:21  Double Ambig)
 &rst
  ixpk= 39, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 496,  89,  88, 139, 516, 239, 359, 258, 122, 411,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:40       0 AMB  21-1:40     5.50    (#     40:21  Double Ambig)
 &rst
  ixpk= 40, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 516, 258, 122, 327, 326, 327,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:41       0 AMB  21-1:41     5.50    (#     41:21  Double Ambig)
 &rst
  ixpk= 41, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:42       0 AMB  21-1:42     5.50    (#     42:21  Double Ambig)
 &rst
  ixpk= 42, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:48      51 SER  HA          5.50    (#     48:21  Single Ambig)
 &rst
  ixpk= 48, nxpk= 21, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:52      86 LEU  HA          5.50    (#     52:21  Single Ambig)
 &rst
  ixpk= 52, nxpk= 21, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 549, 550, 551, 553, 554, 555, 191, 192,
       193,
 &end
#
#    0 AMB  21-2:54      95 THR  HB          4.50    (#     54:21  Single Ambig)
 &rst
  ixpk= 54, nxpk= 21, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:55      95 THR  HB          5.50    (#     55:21  Single Ambig)
 &rst
  ixpk= 55, nxpk= 21, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:59      63 THR  HB          5.50    (#     59:21  Single Ambig)
 &rst
  ixpk= 59, nxpk= 21, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:60      63 THR  HB          5.50    (#     60:21  Single Ambig)
 &rst
  ixpk= 60, nxpk= 21, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 260, 261, 262,
 &end
#
#    0 AMB  21-2:62      89 ALA  HA          5.00    (#     62:21  Single Ambigmisassigned!!->0614Ala42/89)
 &rst
  ixpk= 62, nxpk= 21, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 124, 125, 126, 143, 144, 145, 191, 192, 193,
 &end
#
#    0 AMB  21-2:64      96 ALA  HA          5.50    (#     64:21  Single Ambig)
 &rst
  ixpk= 64, nxpk= 21, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 649, 650, 651, 653, 654, 655,
 &end
#
#    0 AMB  21-2:69      97 LYS  HA          5.50    (#     69:21  Single Ambig)
 &rst
  ixpk= 69, nxpk= 21, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 591, 468, 422, 632, 297,
 &end
#
#    0 AMB  21-2:70      97 LYS  HA          5.50    (#     70:21  Single Ambig)
 &rst
  ixpk= 70, nxpk= 21, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302, 303, 224, 225, 226,
 &end
#
#    0 AMB  21-2:73      94 ARG  HA          5.50    (#     73:21  Single Ambig)
 &rst
  ixpk= 73, nxpk= 21, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 245, 246, 247, 365, 366, 367, 258, 122,
 &end
#
#    0 AMB  21-2:74      94 ARG  HA          5.50    (#     74:21  Single Ambig)
 &rst
  ixpk= 74, nxpk= 21, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:81      60 LEU  HA          5.50    (#     81:21  Single Ambig)
 &rst
  ixpk= 81, nxpk= 21, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:83      64 LEU  HA          5.50    (#     83:21  Single Ambig)
 &rst
  ixpk= 83, nxpk= 21, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571,
 &end
#
#    0 AMB  21-2:85      54 PRO  HA          4.50    (#     85:21  Single Ambig)
 &rst
  ixpk= 85, nxpk= 21, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:86      57 LEU  HA          5.50    (#     86:21  Single Ambig)
 &rst
  ixpk= 86, nxpk= 21, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:87       0 AMB  21-1:87     5.50    (#     87:21  Double Ambig)
 &rst
  ixpk= 87, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 333, 591, 468, 333, 335, 422, 272, 297,   6,
 igr2= 800,1035,
 &end
#
#    0 AMB  21-2:89       0 AMB  21-1:89     5.50    (#     89:21  Double Ambig)
 &rst
  ixpk= 89, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2= 800,1035,
 &end
#
#    0 AMB  21-2:90       0 AMB  21-1:90     5.50    (#     90:21  Double Ambig)
 &rst
  ixpk= 90, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1= 496,  89,  88, 519, 139, 516, 359, 258, 122, 411,
       237,
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:91       0 AMB  21-1:91     4.50    (#     91:21  Double Ambig)
 &rst
  ixpk= 91, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:92       0 AMB  21-1:92     5.50    (#     92:21  Double Ambig)
 &rst
  ixpk= 92, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:94       0 AMB  21-1:94     5.50    (#     94:21  Double Ambig)
 &rst
  ixpk= 94, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 516,  34,  33, 379, 378, 596, 532, 621, 620,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:95       0 AMB  21-1:95     5.50    (#     95:21  Double Ambig)
 &rst
  ixpk= 95, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  73, 516, 597,  12,  11, 667, 666, 617,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:96       0 AMB  21-1:96     5.50    (#     96:21  Double Ambig)
 &rst
  ixpk= 96, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:97      95 THR  HA          5.50    (#     97:21  Single Ambig)
 &rst
  ixpk= 97, nxpk= 21, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:98      95 THR  HA          5.50    (#     98:21  Single Ambig)
 &rst
  ixpk= 98, nxpk= 21, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:99      90 PHE  HA          5.50    (#     99:21  Single Ambig)
 &rst
  ixpk= 99, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 255, 692, 138, 516, 258, 530, 122, 236, 356,
 &end
#
#    0 AMB  21-2:100     90 PHE  HA          6.00    (#    100:21  Single Ambig #releasedto6.0on0615)
 &rst
  ixpk= 100, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:101     90 PHE  HA          5.50    (#    101:21  Single Ambig)
 &rst
  ixpk= 101, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:102     68 SER  HB3         5.50    (#    102:21  Single Ambig)
 &rst
  ixpk= 102, nxpk= 21, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 323, 591, 468, 335, 422, 632, 272, 297,   6,
 &end
#
#    0 AMB  21-2:104     68 SER  HB3         5.50    (#    104:21  Single Ambig)
 &rst
  ixpk= 104, nxpk= 21, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 337, 338, 339, 516, 301, 302, 303, 258, 122, 224,
       225, 226,
 &end
#
#    0 AMB  21-2:106     77 LEU  HA          5.50    (#    106:21  Single Ambig)
 &rst
  ixpk= 106, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462,
 &end
#
#    0 AMB  21-2:107     77 LEU  HA          5.50    (#    107:21  Single Ambig)
 &rst
  ixpk= 107, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571,
 &end
#
#    0 AMB  21-2:108     77 LEU  HA          5.50    (#    108:21  Single Ambig)
 &rst
  ixpk= 108, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 &end
#
#    0 AMB  21-2:114     91 ILE  HA          5.50    (#    114:21  Single Ambig)
 &rst
  ixpk= 114, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 422, 632, 690,
 &end
#
#    0 AMB  21-2:115     91 ILE  HA          5.50    (#    115:21  Single Ambig)
 &rst
  ixpk= 115, nxpk= 21, iat= 496,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  21-2:116     91 ILE  HA          5.50    (#    116:21  Single Ambig)
 &rst
  ixpk= 116, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 505, 506, 507, 258, 122, 503,
 &end
#
#    0 AMB  21-2:117     91 ILE  HA          5.50    (#    117:21  Single Ambig)
 &rst
  ixpk= 117, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551,
 &end
#
#    0 AMB  21-2:118     91 ILE  HA          5.50    (#    118:21  Single Ambig)
 &rst
  ixpk= 118, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 260, 261, 262, 498, 499, 500,
 &end
#
#    0 AMB  21-2:120     90 PHE  HB2         5.50    (#    120:21  Single Ambig)
 &rst
  ixpk= 120, nxpk= 21, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:121     76 VAL  HA          5.50    (#    121:21  Single Ambig)
 &rst
  ixpk= 121, nxpk= 21, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 475, 476, 477, 407, 408, 409,
 &end
#
#    0 AMB  21-2:122     76 VAL  HA          5.50    (#    122:21  Single Ambig)
 &rst
  ixpk= 122, nxpk= 21, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:123     98 TYR  HB2         5.50    (#    123:21  Single Ambig)
 &rst
  ixpk= 123, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=  70, 516, 258, 593,   8, 122, 563,
 &end
#
#    0 AMB  21-2:124     98 TYR  HB2         5.50    (#    124:21  Single Ambig)
 &rst
  ixpk= 124, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:125     94 ARG  HD3         5.50    (#    125:21  Single Ambig)
 &rst
  ixpk= 125, nxpk= 21, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 255, 516, 544, 258, 122, 236, 356,
 &end
#
#    0 AMB  21-2:129      0 AMB  21-1:129    5.50    (#    129:21  Double Ambig)
 &rst
  ixpk= 129, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 348, 488, 117, 136,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:130      0 AMB  21-1:130    5.50    (#    130:21  Double Ambig)
 &rst
  ixpk= 130, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:131      0 AMB  21-1:131    4.50    (#    131:21  Double Ambig)
 &rst
  ixpk= 131, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 191, 192, 193,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:132      0 AMB  21-1:132    5.50    (#    132:21  Double Ambig)
 &rst
  ixpk= 132, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:133     61 LEU  HB2         5.50    (#    133:21  Single Ambig)
 &rst
  ixpk= 133, nxpk= 21, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:134     52 ILE  HB          5.50    (#    134:21  Single Ambig)
 &rst
  ixpk= 134, nxpk= 21, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  74,  73, 516, 597,  12,  11,
 &end
#
#    0 AMB  21-2:135     52 ILE  HB          5.50    (#    135:21  Single Ambig)
 &rst
  ixpk= 135, nxpk= 21, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:136     61 LEU  HB3         4.50    (#    136:21  Single Ambig)
 &rst
  ixpk= 136, nxpk= 21, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:137     64 LEU  HB3         4.50    (#    137:21  Single Ambig)
 &rst
  ixpk= 137, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:138      0 AMB  21-1:138    5.50    (#    138:21  Double Ambig)
 &rst
  ixpk= 138, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 591, 468, 422, 632, 297, 690,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:139      0 AMB  21-1:139    5.50    (#    139:21  Double Ambig)
 &rst
  ixpk= 139, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 239, 258, 138, 139,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:140      0 AMB  21-1:140    3.50    (#    140:21  Double Ambig)
 &rst
  ixpk= 140, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:141      0 AMB  21-1:141    5.50    (#    141:21  Double Ambig)
 &rst
  ixpk= 141, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:142      0 AMB  21-1:142    4.50    (#    142:21  Double Ambig)
 &rst
  ixpk= 142, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2=1481,1482,1483,
 &end
#
#    0 AMB  21-2:143      0 AMB  21-1:143    5.50    (#    143:21  Single Ambig)
 &rst
  ixpk= 143, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1481,1482,1483,
 &end
#
#    0 AMB  21-2:144     91 ILE  HG13        5.50    (#    144:21  Single Ambig)
 &rst
  ixpk= 144, nxpk= 21, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 245, 246, 247, 505, 506, 507, 258, 122,
 &end
#
#    0 AMB  21-2:145     91 ILE  HG13        5.50    (#    145:21  Single Ambig)
 &rst
  ixpk= 145, nxpk= 21, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 479, 480, 481, 128, 129, 130,
 &end
#
#    0 AMB  21-2:146      0 AMB  21-1:146    5.50    (#    146:21  Double Ambig)
 &rst
  ixpk= 146, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:147      0 AMB  21-1:147    5.50    (#    147:21  Double Ambig)
 &rst
  ixpk= 147, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 260, 261, 262, 498, 499, 500,1162,1163,1164,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:148      0 AMB  21-1:148    5.50    (#    148:21  Double Ambig)
 &rst
  ixpk= 148, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       565, 566, 567, 549, 550, 551,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:149      0 AMB  21-1:149    4.50    (#    149:21  Double Ambig)
 &rst
  ixpk= 149, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=  70, 516, 258, 593,   8, 122, 563,
 igr2=1548,1549,1550,
 &end
#
#    0 AMB  21-2:150      0 AMB  21-1:150    3.50    (#    150:21  Double Ambig)
 &rst
  ixpk= 150, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       651, 649, 650, 653, 654, 655,
 igr2=1548,1549,1550,
 &end
#
#    0 AMB  21-2:151      0 AMB  21-1:151    4.50    (#    151:21  Double Ambig)
 &rst
  ixpk= 151, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571, 651, 649, 650, 653, 654, 655,
      
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  21-2:152      0 AMB  21-1:152    4.50    (#    152:21  Double Ambig)
 &rst
  ixpk= 152, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 igr2= 850, 851, 852,
 &end
#
#    0 AMB  21-2:153      0 AMB  21-1:153    4.50    (#    153:21  Double Ambig)
 &rst
  ixpk= 153, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  21-2:154      0 AMB  21-1:154    4.00    (#    154:21  Double Ambig)
 &rst
  ixpk= 154, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 462, 461, 462,
 igr2=1181,1182,1183,1177,1178,1179,
 &end
#
#    0 AMB  21-2:155      0 AMB  21-1:155    4.00    (#    155:21  Double Ambig)
 &rst
  ixpk= 155, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 475, 476, 477, 479, 480, 481,
 igr2=1181,1182,1183,1177,1178,1179,
 &end
#
#    0 AMB  21-2:156      0 AMB  21-1:156    5.50    (#    156:21  Double Ambig)
 &rst
  ixpk= 156, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1214,1215,1216,
 &end
#
#    0 AMB  21-2:157      0 AMB  21-1:157    5.50    (#    157:21  Double Ambig)
 &rst
  ixpk= 157, nxpk= 21, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:158      0 AMB  21-1:158    5.50    (#    158:21  Double Ambig)
 &rst
  ixpk= 158, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 521, 403,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:159      0 AMB  21-1:159    5.50    (#    159:21  Double Ambig)
 &rst
  ixpk= 159, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  73,  30, 516, 405, 597, 617,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:160      0 AMB  21-1:160    5.50    (#    160:21  Double Ambig)
 &rst
  ixpk= 160, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
 igr1= 496,  89,  88, 519, 139, 516, 359, 258, 122, 411,
       237,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:161      0 AMB  21-1:161    5.50    (#    161:21  Double Ambig)
 &rst
  ixpk= 161, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 122,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:162      0 AMB  21-1:162    4.50    (#    162:21  Double Ambig)
 &rst
  ixpk= 162, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:163      0 AMB  21-1:163    3.50    (#    163:21  Double Ambig)
 &rst
  ixpk= 163, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:164      0 AMB  21-1:164    5.50    (#    164:21  Double Ambig)
 &rst
  ixpk= 164, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 264, 265, 266,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:166      0 AMB  21-1:166    5.50    (#    166:21  Double Ambig)
 &rst
  ixpk= 166, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 255, 692, 138, 516, 544, 258, 122, 236, 356,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:167      0 AMB  21-1:167    5.50    (#    167:21  Double Ambig)
 &rst
  ixpk= 167, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 645, 644, 516, 239, 258, 122, 440, 189,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:168      0 AMB  21-1:168    5.50    (#    168:21  Double Ambig)
 &rst
  ixpk= 168, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:169      0 AMB  21-1:169    4.50    (#    169:21  Double Ambig)
 &rst
  ixpk= 169, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551, 191,
       192, 193, 195, 196, 197, 361, 362, 363, 365, 366,
       367,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:171      0 AMB  21-1:171    5.50    (#    171:21  Double Ambig)
 &rst
  ixpk= 171, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 519, 516, 258, 122, 237,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:172      0 AMB  21-1:172    5.50    (#    172:21  Double Ambig)
 &rst
  ixpk= 172, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 645, 644, 516, 239, 258, 122, 440, 471, 357, 189,
      
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:173      0 AMB  21-1:173    5.50    (#    173:21  Double Ambig)
 &rst
  ixpk= 173, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:174      0 AMB  21-1:174    5.50    (#    174:21  Double Ambig)
 &rst
  ixpk= 174, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:175      0 AMB  21-1:175    4.50    (#    175:21  Double Ambig)
 &rst
  ixpk= 175, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:176     65 LYS  HG3         5.50    (#    176:21  Single Ambig)
 &rst
  ixpk= 176, nxpk= 21, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:177      0 AMB  21-1:177    5.50    (#    177:21  Double Ambig)
 &rst
  ixpk= 177, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 549, 550, 551, 553, 554, 555, 191, 192,
       193,
 igr2=1241, 929,
 &end
#
#    0 AMB  21-2:179      0 AMB  21-1:179    5.50    (#    179:21  Double Ambig)
 &rst
  ixpk= 179, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.58, r4=12.08,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       143, 144, 145, 147, 148, 149, 128, 129, 130,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:180      0 AMB  21-1:180    5.50    (#    180:21  Double Ambig)
 &rst
  ixpk= 180, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 260, 261, 262,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:181      0 AMB  21-1:181    5.50    (#    181:21  Double Ambig)
 &rst
  ixpk= 181, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 475, 476, 477, 407, 408, 409,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:182     98 TYR  HB2         5.50    (#    182:21  Single Ambig)
 &rst
  ixpk= 182, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 496,  89,  88, 139, 516, 239, 258, 122, 411,
 &end
#
#    0 AMB  21-2:183     98 TYR  HB2         5.50    (#    183:21  Single Ambig)
 &rst
  ixpk= 183, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:184      0 AMB  21-1:184    4.50    (#    184:21  Double Ambig)
 &rst
  ixpk= 184, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 479, 480, 481, 128, 129, 130, 549, 550, 551,
 igr2=1406,1407,1408,
 &end
#
#    0 AMB  21-2:185      0 AMB  21-1:185    5.50    (#    185:21  Double Ambig)
 &rst
  ixpk= 185, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 505, 506, 507, 258, 122, 503,
 igr2=1406,1407,1408,
 &end
#
#    0 AMB  21-2:186     94 ARG  HD2         5.50    (#    186:21  Single Ambig)
 &rst
  ixpk= 186, nxpk= 21, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 245, 246, 247, 365, 366, 367, 258, 122, 569, 570,
       571,
 &end
#
#    0 AMB  21-2:187     94 ARG  HD2         5.50    (#    187:21  Single Ambig)
 &rst
  ixpk= 187, nxpk= 21, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 260, 261, 262, 498, 499, 500,
 &end
#
#    0 AMB  21-2:188      0 AMB  21-1:188    5.50    (#    188:21  Double Ambig)
 &rst
  ixpk= 188, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2= 731,1526,
 &end
#
#    0 AMB  21-2:191     64 LEU  HB2         5.50    (#    191:21  Single Ambig)
 &rst
  ixpk= 191, nxpk= 21, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:193      0 AMB  21-1:193    5.50    (#    193:21  Double Ambig)
 &rst
  ixpk= 193, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 591, 422, 468,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:194      0 AMB  21-1:194    4.50    (#    194:21  Double Ambig)
 &rst
  ixpk= 194, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 470, 255, 138, 516, 258, 530, 122, 236, 356,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:195      0 AMB  21-1:195    5.00    (#    195:21  Double Ambig)
 &rst
  ixpk= 195, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 471, 645, 644, 516, 545, 258, 122, 440, 357, 189,
      
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:196      0 AMB  21-1:196    5.50    (#    196:21  Double Ambig)
 &rst
  ixpk= 196, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 505, 506, 507, 361, 362, 363, 245, 246, 247, 365,
       366, 367, 258, 122, 569, 570, 571,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:197      0 AMB  21-1:197    4.50    (#    197:21  Double Ambig)
 &rst
  ixpk= 197, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:198      0 AMB  21-1:198    6.50    (#    198:21  Double Ambig #weaksincwiggle??spindiff??5.5to6.5on1009)
 &rst
  ixpk= 198, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:199     91 ILE  HB          5.50    (#    199:21  Single Ambig)
 &rst
  ixpk= 199, nxpk= 21, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:201      0 AMB  21-1:201    5.50    (#    201:21  Double Ambig)
 &rst
  ixpk= 201, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 245, 246, 247, 505, 506, 507, 258, 122,
 igr2=1504,1456,
 &end
#
#    0 AMB  21-2:202      0 AMB  21-1:202    5.50    (#    202:21  Double Ambig)
 &rst
  ixpk= 202, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1504,1456,
 &end
#
#    0 AMB  21-2:203     65 LYS  HG2         5.50    (#    203:21  Single Ambig)
 &rst
  ixpk= 203, nxpk= 21, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:204     65 LYS  HB3         5.50    (#    204:21  Single Ambig)
 &rst
  ixpk= 204, nxpk= 21, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:205      0 AMB  21-1:205    4.50    (#    205:21  Double Ambig)
 &rst
  ixpk= 205, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 169, 516,  34,  33, 173, 379, 378, 532, 621, 620,
      
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  21-2:206      0 AMB  21-1:206    4.00    (#    206:21  Double Ambig)
 &rst
  ixpk= 206, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  21-2:207      0 AMB  21-1:207    4.50    (#    207:21  Double Ambig)
 &rst
  ixpk= 207, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 143, 144, 145, 147, 148, 149, 124, 125, 126, 245,
       246, 247, 241, 242, 243,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  21-2:208      0 AMB  21-1:208    4.50    (#    208:21  Double Ambig)
 &rst
  ixpk= 208, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 260, 261, 262,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  21-2:209     93 GLN  HE21        5.00    (#    209:22  Single Ambig)
 &rst
  ixpk= 209, nxpk= 22, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 224, 225, 226, 301, 302, 303,
 &end
#
#    0 AMB  21-2:210     93 GLN  HE22        5.00    (#    210:22  Single Ambig)
 &rst
  ixpk= 210, nxpk= 22, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 224, 225, 226, 301, 302, 303,
 &end
#
#    0 AMB  21-2:211      0 AMB  21-1:211    4.50    (#    211:21  Double Ambig-manualaddSJD)
 &rst
  ixpk= 211, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 299, 335,
 igr2=1035,1036,
 &end
#
#    0 AMB  21-2:212      0 AMB  21-1:212    4.0     (#    212:21 DoubleAMB-manualaddSJD)
 &rst
  ixpk= 212, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 124, 125, 126, 143, 144, 145,
 igr2= 789, 790, 791,
 &end
#
#    0 AMB  21-2:213      0 AMB  21-1:213    4.0     (#    213:21 DoubleAMB-manualaddSJDreleased3.5to4.0on0925)
 &rst
  ixpk= 213, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 128, 129, 130, 147, 148, 149,
 igr2= 789, 790, 791,
 &end
#
#    0 AMB  21-2:216     94 ARG  HE          3.5     (#    216:21 Singleambigmanualaddsjdcnnoe)
 &rst
  ixpk= 216, nxpk= 21, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1406,1407,1408, 361, 362, 363, 365, 366, 367,
 &end
#
#   98 TYR  HA           98 TYR  HD1         4.00    (#      0:20  Unique         2.03, 2.03 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1523,1529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2        0 AMB  20-1:2      5.50    (#      2:20  Double Ambig)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1453,1544,
 igr2=1538,1529,
 &end
#
#   97 LYS  HA            0 AMB  20-1:3      6.00    (#      3:20  Single Ambig #released0705)
 &rst
  ixpk= 3, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1529,1538,
 &end
#
#   95 THR  HA           98 TYR  HD2         4.00    (#      4:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 4, nxpk= 20, iat=1477,1538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5        0 AMB  20-1:5      5.00    (#      5:20  Double Ambig)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 521, 494,
 igr2=1538,1529,
 &end
#
#   98 TYR  HB2           0 AMB  20-1:6      4.00    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:8       98 TYR  HD1         6.00    (#      8:20  Single Ambig)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1590,1589,
 &end
#
#    0 AMB  20-2:9        0 AMB  20-1:9      5.00    (#      9:20  Double Ambig)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 516,1504,1587, 563,1546,1631,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:10       0 AMB  20-1:10     5.00    (#     10:20  Double Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 516,1455,1504,1586, 518,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:11       0 AMB  20-1:11     6.00    (#     11:20  Double Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 516,1504,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:12       0 AMB  20-1:12     4.00    (#     12:20  Double Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 496, 516,1504,1509,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:13       0 AMB  20-1:13     6.00    (#     13:20  Double Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 516,1504,1422,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:14       0 AMB  20-1:14     5.00    (#     14:20  Double Ambig)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 516,1504,1422,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:15       0 AMB  20-1:15     6.00    (#     15:20  Double Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1481, 502, 516,1506,1482,1483,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:16       0 AMB  20-1:16     5.00    (#     16:20  Double Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1553,1552,1554,1549,1550,1548,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:18      98 TYR  HD2         4.00    (#     18:20  Single Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 571, 570, 569,
 &end
#
#    0 AMB  20-2:19      98 TYR  HD2         4.00    (#     19:20  Single Ambig)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 500, 498,
 &end
#
#   97 LYS  HG3           0 AMB  20-1:20     6.00    (#     20:20  Single Ambig)
 &rst
  ixpk= 20, nxpk= 20, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1529,1538,
 &end
#
#    0 AMB  20-2:21       0 AMB  20-1:21     6.00    (#     21:20  Double Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 272, 422,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:22       0 AMB  20-1:22     6.00    (#     22:20  Double Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1338, 253,1453,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:23      90 PHE  HD1         5.00    (#     23:20  Single Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1375, 275,
 &end
#
#   14 HIS  HB2           0 AMB  20-1:24     6.00    (#     24:20  Single Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:25       0 AMB  20-1:25     5.00    (#     25:20  Double Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 206,1378,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:27       0 AMB  20-1:27     6.00    (#     27:20  Double Ambig)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1347, 258,1455,1344,1348,1340,1349,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:28       0 AMB  20-1:28     6.00    (#     28:20  Double Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 258, 255,1344,1341,1224,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:29       0 AMB  20-1:29     5.00    (#     29:20  Double Ambig)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 258,1344,1341,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:30       0 AMB  20-1:30     6.00    (#     30:20  Double Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258,1341,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:31       0 AMB  20-1:31     6.00    (#     31:20  Double Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1458, 258,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:32       0 AMB  20-1:32     6.00    (#     32:20  Double Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258,1404,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:33       0 AMB  20-1:33     5.00    (#     33:20  Double Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 258, 507, 506,1158,1327,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:34       0 AMB  20-1:34     4.00    (#     34:20  Double Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 258,1330,1178, 980,1332, 976,1331,1179, 414,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:35       0 AMB  20-1:35     4.00    (#     35:20  Double Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 477, 476, 481, 479, 475, 409, 407,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:36       0 AMB  20-1:36     5.00    (#     36:20  Double Ambig)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 266, 265, 264,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:37      90 PHE  HD2         6.00    (#     37:20  Single Ambig)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1230,1231,
 &end
#
#    0 AMB  20-2:38      90 PHE  HD2         6.00    (#     38:20  Single Ambig)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1233,1235,1234,
 &end
#
#    0 AMB  20-2:39       0 AMB  20-1:39     6.00    (#     39:20  Double Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 422, 468,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:40       0 AMB  20-1:40     6.00    (#     40:20  Double Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 253,1453,1338,1120,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:41       0 AMB  20-1:41     6.00    (#     41:20  Double Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1375, 275,1222,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:42       0 AMB  20-1:42     6.00    (#     42:20  Double Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 206,1378,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:43       0 AMB  20-1:43     6.00    (#     43:20  Double Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1461,1344,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:44       0 AMB  20-1:44     6.00    (#     44:20  Double Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1377,1344,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:45       0 AMB  20-1:45     6.00    (#     45:20  Double Ambig)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1462,1343,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:46       0 AMB  20-1:46     6.00    (#     46:20  Double Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 405,1156,1344,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:47       0 AMB  20-1:47     6.00    (#     47:20  Double Ambig)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1347, 258,1455,1348,1349,1344,1403,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:48       0 AMB  20-1:48     6.00    (#     48:20  Double Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 258,1224,1172,1344, 255, 356,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:49       0 AMB  20-1:49     5.00    (#     49:20  Double Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 258,1456,1227,1344,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:50       0 AMB  20-1:50     5.00    (#     50:20  Double Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 258, 359,1456,1344, 411,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:51       0 AMB  20-1:51     6.00    (#     51:20  Double Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1458, 258,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:52       0 AMB  20-1:52     6.00    (#     52:20  Double Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1459, 258,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:53       0 AMB  20-1:53     6.00    (#     53:20  Double Ambig)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258, 357,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:54       0 AMB  20-1:54     5.00    (#     54:20  Double Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 258,1158,1160, 506,1175, 507,1159,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:55       0 AMB  20-1:55     4.00    (#     55:20  Double Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 258, 414, 976,1178, 415, 416,1179,1175, 975, 367,
      1408, 366, 974,1177, 365,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:56       0 AMB  20-1:56     4.00    (#     56:20  Double Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 409, 481, 407, 477, 408, 479,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     4.00    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 260, 262,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:58      90 PHE  HE2         5.00    (#     58:20  Single Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1231,1229,
 &end
#
#   25 LEU  HA           90 PHE  HZ          6.00    (#     60:20  Unique         3.73, 3.73 A)
 &rst
  ixpk= 60, nxpk= 20, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:61      90 PHE  HZ          6.00    (#     61:20  Single Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 422, 272,
 &end
#
#    0 AMB  20-2:62      90 PHE  HZ          6.00    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 253, 348,1338,1453,1120,
 &end
#
#   28 ILE  HA           90 PHE  HZ          6.00    (#     64:20  Unique         4.78, 4.78 A)
 &rst
  ixpk= 64, nxpk= 20, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:65      90 PHE  HZ          6.00    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1461,1344,
 &end
#
#    0 AMB  20-2:66      90 PHE  HZ          6.00    (#     66:20  Single Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1462,1343,
 &end
#
#   28 ILE  HB           90 PHE  HZ          6.00    (#     67:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 405,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:68      90 PHE  HZ          6.00    (#     68:20  Single Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 258,1347,1455,1403,1349,1348,1344,
 &end
#
#    0 AMB  20-2:69      90 PHE  HZ          5.00    (#     69:20  Single Ambig)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258, 411, 359,
 &end
#
#    0 AMB  20-2:70      90 PHE  HZ          5.00    (#     70:20  Single Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 258,1458,
 &end
#
#    0 AMB  20-2:71      90 PHE  HZ          6.00    (#     71:20  Single Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 258,1459,
 &end
#
#   17 LEU  HG           90 PHE  HZ          6.00    (#     72:20  Unique         3.93, 3.93 A)
 &rst
  ixpk= 72, nxpk= 20, iat= 258,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:73      90 PHE  HZ          6.00    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258, 255,1227,1172, 356,1224,
 &end
#
#    0 AMB  20-2:74      90 PHE  HZ          6.00    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 258, 412,
 &end
#
#    0 AMB  20-2:75      90 PHE  HZ          4.00    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 258, 414, 976, 415, 975, 416, 974,
 &end
#
#    0 AMB  20-2:76      90 PHE  HZ          4.00    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 407, 409, 477, 408,
 &end
#
#    0 AMB  20-2:77      90 PHE  HZ          5.00    (#     77:20  Single Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1164, 266,1163, 264, 265,1162,
 &end
#
#    0 AMB  20-2:80      90 PHE  HZ          5.00    (#     80:20  Single Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258,1160,1158, 506,1159,
 &end
#
#    0 AMB  20-2:101     83 ASN  HA          6.00    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1263, 767,
 &end
#
#    0 AMB  20-2:102     83 ASN  HA          6.00    (#    102:20  Single Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1296,1266,
 &end
#
#    0 AMB  20-2:103     83 ASN  HA          6.00    (#    103:20  Single Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266,1302,1319,
 &end
#
#   84 PRO  HD2          83 ASN  HA          4.00    (#    104:20  Unique         2.34, 2.34 A)
 &rst
  ixpk= 104, nxpk= 20, iat=1287,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO  HD3          83 ASN  HA          4.00    (#    105:20  Unique         2.46, 2.46 A)
 &rst
  ixpk= 105, nxpk= 20, iat=1288,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB3          83 ASN  HA          4.00    (#    106:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1277,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB2          83 ASN  HA          4.00    (#    107:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:108     83 ASN  HA          4.00    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1293,
 &end
#
#    0 AMB  20-2:109     83 ASN  HA          6.00    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:110     83 ASN  HA          5.00    (#    110:20  Single Ambig)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:111     83 ASN  HA          4.00    (#    111:20  Single Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1294,
 &end
#
#    0 AMB  20-2:112     83 ASN  HA          6.00    (#    112:20  Single Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1290,1291,  71,
 &end
#
#    0 AMB  20-2:113     83 ASN  HA          6.00    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1290,1291,1322,
 &end
#
#   52 ILE  HB           83 ASN  HA          5.00    (#    114:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 780,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:115     83 ASN  HA          6.00    (#    115:20  Single Ambig)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:116     83 ASN  HA          6.00    (#    116:20  Single Ambig)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1290,1291, 836, 835, 837,
 &end
#
#    0 AMB  20-2:117     83 ASN  HA          6.00    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 789, 791, 790,
 &end
#
#    0 AMB  20-2:118     83 ASN  HA          6.00    (#    118:20  Single Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 784, 782,
 &end
#
#   69 SER  HB3          69 SER  HA          3.50    (#    121:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 121, nxpk= 20, iat=1047,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 SER  HB2          69 SER  HA          3.00    (#    122:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 122, nxpk= 20, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HD2          69 SER  HA          4.00    (#    123:20  Unique         3.10, 3.10 A)
 &rst
  ixpk= 123, nxpk= 20, iat=1054,1044, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:124     69 SER  HA          6.00    (#    124:20  Single Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1075,1074,1092,
 &end
#
#    0 AMB  20-2:125     69 SER  HA          5.00    (#    125:20  Single Ambig)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1060,1071,1075,1072,1074,
 &end
#
#    0 AMB  20-2:126     69 SER  HA          5.00    (#    126:20  Single Ambig)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1021,1057,1071,1075,1022,1072,
 &end
#
#    0 AMB  20-2:127     69 SER  HA          5.50    (#    127:20  Single Ambig #from5.0to5.5on0927)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1058,1071,1075,1072,
 &end
#
#    0 AMB  20-2:128     69 SER  HA          5.00    (#    128:20  Single Ambig)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1071,1075,1061,1072,1074,
 &end
#
#    0 AMB  20-2:129     53 SER  HA          5.00    (#    129:20  Single Ambig)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1266, 816, 833, 822,
 &end
#
#    0 AMB  20-2:130     53 SER  HA          3.00    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 799, 807,1266,
 &end
#
#    0 AMB  20-2:131     53 SER  HA          3.00    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 808,
 &end
#
#    0 AMB  20-2:133     53 SER  HA          5.00    (#    133:20  Single Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 811, 813, 810,  74,
 &end
#
#    0 AMB  20-2:134     53 SER  HA          5.00    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 894,
 &end
#
#    0 AMB  20-2:135     53 SER  HA          4.50    (#    135:20  Single Ambig#releasedfrom4.0on0619)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 811, 810, 814, 122, 718,
 &end
#
#    0 AMB  20-2:136     53 SER  HA          6.00    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 780, 811,1321, 810,
 &end
#
#    0 AMB  20-2:137     53 SER  HA          6.00    (#    137:20  Single Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 811, 189, 810, 848, 122,
 &end
#
#    0 AMB  20-2:138     53 SER  HA          6.00    (#    138:20  Single Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 836, 837, 835,
 &end
#
#    0 AMB  20-2:139     53 SER  HA          5.00    (#    139:20  Single Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 782, 191, 193, 125, 124, 784, 783, 192, 854, 126,
      1208,
 &end
#
#    0 AMB  20-2:140     49 ASN  HA          6.00    (#    140:20  Single Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 770, 715, 769,
 &end
#
#    0 AMB  20-2:141     49 ASN  HA          6.00    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 751, 715, 752,
 &end
#
#   49 ASN  HB2          49 ASN  HA          4.00    (#    142:20  Unique         2.55, 2.55 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 ASN  HB3          49 ASN  HA          5.00    (#    143:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 143, nxpk= 20, iat= 732, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:144     49 ASN  HA          6.00    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 721, 745, 746, 718, 717, 749, 810,
 &end
#
#    0 AMB  20-2:146     49 ASN  HA          6.00    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 745, 746, 749, 810, 748,
 &end
#
#    0 AMB  20-2:147     49 ASN  HA          6.00    (#    147:20  Single Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 790, 789, 791,
 &end
#
#    0 AMB  20-2:160    102 GLN  HA          6.00    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1544,1615,
 &end
#
#  103 PRO  HD2         102 GLN  HA          3.50    (#    161:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 161, nxpk= 20, iat=1600,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 PRO  HD3         102 GLN  HA          3.50    (#    162:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1601,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:163    102 GLN  HA          6.00    (#    163:20  Single Ambig)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1572,1606,1526,
 &end
#
#    0 AMB  20-2:164    102 GLN  HA          6.00    (#    164:20  Single Ambig)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1606,
 &end
#
#  103 PRO  HB2         102 GLN  HA          6.00    (#    165:20  Unique         6.02, 6.02 A)
 &rst
  ixpk= 165, nxpk= 20, iat=1606,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:166    102 GLN  HA          4.00    (#    166:20  Single Ambig)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1604,
 &end
#
#    0 AMB  20-2:167    102 GLN  HA          6.00    (#    167:20  Single Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:168    102 GLN  HA          4.00    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1587,1631,1633,
 &end
#
#  102 GLN  HB2         102 GLN  HA          4.00    (#    169:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 169, nxpk= 20, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:170    102 GLN  HA          6.00    (#    170:20  Single Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1604,1606,1563,1564,
 &end
#
#    0 AMB  20-2:172     51 SER  HA          5.00    (#    172:20  Single Ambig)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 778, 807,
 &end
#
#    0 AMB  20-2:173     51 SER  HA          3.00    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 769, 770,
 &end
#
#    0 AMB  20-2:174     51 SER  HA          6.00    (#    174:20  Single Ambig)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 810, 811, 720,
 &end
#
#    0 AMB  20-2:175     51 SER  HA          6.00    (#    175:20  Single Ambig)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  34,  33, 810, 811,
 &end
#
#    0 AMB  20-2:176     51 SER  HA          6.00    (#    176:20  Single Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  73,  30, 746,
 &end
#
#    0 AMB  20-2:177     51 SER  HA          6.00    (#    177:20  Single Ambig)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 746, 810, 811, 745,
 &end
#
#    0 AMB  20-2:178     51 SER  HA          6.00    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 749, 746, 810,   8, 811, 745, 748, 721,
 &end
#
#    0 AMB  20-2:179     51 SER  HA          6.00    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 749, 746,  71, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:180     51 SER  HA          5.00    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 780, 749, 746, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:181     51 SER  HA          5.00    (#    181:20  Single Ambig)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 749, 746, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:183     51 SER  HA          6.00    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 124, 126, 783, 125, 782, 784,
 &end
#
#    0 AMB  20-2:184     51 SER  HA          6.00    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 749, 746, 810,  31, 811, 745, 748, 721,   9,
 &end
#
#    0 AMB  20-2:185     51 SER  HA          5.00    (#    185:20  Single Ambig)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 786, 749, 746, 810, 811,
 &end
#
#    0 AMB  20-2:186     51 SER  HA          5.00    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 790, 791, 789,
 &end
#
#  104 GLY  HA2         105 MET  HA          6.00    (#    187:20  Unique         4.54, 4.54 A)
 &rst
  ixpk= 187, nxpk= 20, iat=1615,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB2         105 MET  HA          6.00    (#    188:20  Unique         7.69, 7.69 A)
 &rst
  ixpk= 188, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB2         105 MET  HA          6.00    (#    189:20  Unique         7.69, 7.69 A released5.0to5.5on1009to6.0on1015)
 &rst
  ixpk= 189, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 MET  HB2         105 MET  HA          4.00    (#    190:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 190, nxpk= 20, iat=1624,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 MET  HB3         105 MET  HA          5.00    (#    191:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1625,1622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ASN  HA           82 SER  HA          6.00    (#    192:20  Unique         4.62, 4.62 A)
 &rst
  ixpk= 192, nxpk= 20, iat=1274,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 SER  HB3          82 SER  HA          5.00    (#    193:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1266,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ASN  HB3          82 SER  HA          6.50    (#    194:20  Unique         5.76, 5.76 A #spindif?6.0to6.5on1012)
 &rst
  ixpk= 194, nxpk= 20, iat=1277,1263, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   83 ASN  HB2          82 SER  HA          6.00    (#    195:20  Unique         5.70, 5.70 A)
 &rst
  ixpk= 195, nxpk= 20, iat=1276,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 PRO  HG3          82 SER  HA          6.00    (#    196:20  Unique         7.81, 7.81 A)
 &rst
  ixpk= 196, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 PRO  HG3          82 SER  HA          6.00    (#    197:20  Unique         7.81, 7.81 A)
 &rst
  ixpk= 197, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:198     82 SER  HA          5.00    (#    198:20  Single Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1294,1291,
 &end
#
#    0 AMB  20-2:199     82 SER  HA          6.00    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1243,1291,1211,
 &end
#
#    0 AMB  20-2:200     82 SER  HA          5.00    (#    200:20  Single Ambig)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1244,1291,1211,
 &end
#
#    0 AMB  20-2:201     82 SER  HA          6.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1249,1291,1211,
 &end
#
#    0 AMB  20-2:202     82 SER  HA          6.00    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 835, 836, 837,1250,
 &end
#
#    0 AMB  20-2:203     82 SER  HA          6.00    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 782, 784, 783,
 &end
#
#    0 AMB  20-2:205     59 ASP  HA          5.00    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 862, 953, 929, 843,
 &end
#
#    0 AMB  20-2:206     59 ASP  HA          5.00    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 937, 938,
 &end
#
#    0 AMB  20-2:207     59 ASP  HA          4.00    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 881, 938,
 &end
#
#   59 ASP  HB3          59 ASP  HA          3.50    (#    208:20  Unique         2.68, 2.68 A)
 &rst
  ixpk= 208, nxpk= 20, iat= 882, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:210     59 ASP  HA          6.00    (#    210:20  Single Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 864, 894,
 &end
#
#    0 AMB  20-2:212     59 ASP  HA          4.00    (#    212:20  Single Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:213     59 ASP  HA          5.00    (#    213:20  Single Ambig)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:214     59 ASP  HA          5.00    (#    214:20  Single Ambig)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:215     59 ASP  HA          6.00    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:216     59 ASP  HA          6.00    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 247, 896,
 &end
#
#    0 AMB  20-2:217     59 ASP  HA          5.00    (#    217:20  Single Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1209,1211,1208,1207, 192,
 &end
#
#    0 AMB  20-2:218     59 ASP  HA          5.00    (#    218:20  Single Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1215,1216,1211,1214,
 &end
#
#   99 VAL  HA          103 PRO  HA          5.00    (#    241:20  Unique         2.84, 2.84 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1544,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD2         103 PRO  HA          5.00    (#    242:20  Unique         4.02, 4.02 A)
 &rst
  ixpk= 242, nxpk= 20, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD3         103 PRO  HA          6.00    (#    243:20  Unique         3.41, 3.41 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1601,1609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:244    103 PRO  HA          6.00    (#    244:20  Single Ambig)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1606,1604,1589,
 &end
#
#    0 AMB  20-2:245    103 PRO  HA          3.50    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1604,
 &end
#
#    0 AMB  20-2:246    103 PRO  HA          4.00    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1606,1603,1604,
 &end
#
#    0 AMB  20-2:247    103 PRO  HA          4.00    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1607,1606,
 &end
#
#    0 AMB  20-2:248     78 ASN  HA          5.00    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1137,1266,
 &end
#
#    0 AMB  20-2:249     78 ASN  HA          6.00    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1120,1266,
 &end
#
#    0 AMB  20-2:250     78 ASN  HA          6.00    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1241,1266,
 &end
#
#    0 AMB  20-2:251     78 ASN  HA          5.00    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1203,1266,
 &end
#
#   78 ASN  HB3          78 ASN  HA          3.50    (#    252:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 252, nxpk= 20, iat=1192,1189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ASN  HB2          78 ASN  HA          3.00    (#    253:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:254     78 ASN  HA          4.00    (#    254:20  Single Ambig released3.5to4.0on1009)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1244,1122,1224,1175,1205,1123,1125,
 &end
#
#    0 AMB  20-2:255     78 ASN  HA          4.00    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1249,1122,1175,1123,
 &end
#
#   81 LYS  HD3          78 ASN  HA          5.00    (#    256:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 256, nxpk= 20, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:257     78 ASN  HA          5.00    (#    257:20  Single Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1181,1182,1183,
 &end
#
#    0 AMB  20-2:258     78 ASN  HA          6.00    (#    258:20  Single Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1211, 414,1207, 416,1208, 415,1209,
 &end
#
#    0 AMB  20-2:260     84 PRO  HA          5.00    (#    260:20  Single Ambig)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1287,1241,
 &end
#
#   84 PRO  HD3          84 PRO  HA          5.00    (#    261:20  Unique         3.48, 3.48 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1288,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:262     84 PRO  HA          5.00    (#    262:20  Single Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1290,1341,1344,1276,
 &end
#
#    0 AMB  20-2:263     84 PRO  HA          3.50    (#    263:20  Single Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1293,1290,1291,1341,
 &end
#
#    0 AMB  20-2:264     84 PRO  HA          4.00    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:265     84 PRO  HA          3.00    (#    265:20  Single Ambig)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:266     84 PRO  HA          3.50    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:267     84 PRO  HA          5.00    (#    267:20  Single Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1290,1291,1341,1340,
 &end
#
#    0 AMB  20-2:268     84 PRO  HA          4.00    (#    268:20  Single Ambig)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1294,1290,1291,
 &end
#
#    0 AMB  20-2:269     70 PRO  HA          5.00    (#    269:20  Single Ambig)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1092,1091,1071,1088,1075,
 &end
#
#    0 AMB  20-2:270     84 PRO  HA          6.00    (#    270:20  Single Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1290,1291,1341,1357,
 &end
#
#   83 ASN  HA           84 PRO  HA          6.00    (#    272:20  Unique         4.42, 4.42 A)
 &rst
  ixpk= 272, nxpk= 20, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 TYR  HD1          98 TYR  HA          4.00    (#    273:20  Unique         2.03, 2.03 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1529,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:274     98 TYR  HA          5.00    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:275     98 TYR  HA          5.00    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1544,1453,
 &end
#
#   98 TYR  HB2          98 TYR  HA          4.00    (#    277:20  Unique         2.97, 2.97 A)
 &rst
  ixpk= 277, nxpk= 20, iat=1525,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:278     98 TYR  HA          4.00    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1512,
 &end
#
#  101 ASN  HB3          98 TYR  HA          5.00    (#    279:20  Unique         3.90, 3.90 A)
 &rst
  ixpk= 279, nxpk= 20, iat=1573,1523, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:280     98 TYR  HA          6.00    (#    280:20  Single Ambig)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1587,1546,1631, 516,
 &end
#
#    0 AMB  20-2:281     98 TYR  HA          6.00    (#    281:20  Single Ambig)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1509,1503,1456, 516,
 &end
#
#    0 AMB  20-2:282     98 TYR  HA          6.00    (#    282:20  Single Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1510, 516,1604,
 &end
#
#    0 AMB  20-2:283     98 TYR  HA          6.00    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504, 516,1604,
 &end
#
#    0 AMB  20-2:284     98 TYR  HA          5.00    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1504,1563,1562, 516,1604,
 &end
#
#    0 AMB  20-2:285     98 TYR  HA          6.00    (#    285:20  Single Ambig)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504,1506, 516,
 &end
#
#   97 LYS  HG3          98 TYR  HA          6.00    (#    286:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 286, nxpk= 20, iat=1507,1523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:287     98 TYR  HA          5.00    (#    287:20  Single Ambig)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1553,1552,1554,1549,1548,
 &end
#
#    0 AMB  20-2:288     98 TYR  HA          5.00    (#    288:20  Single Ambig)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 571, 655, 569, 570,
 &end
#
#    0 AMB  20-2:289     98 TYR  HA          6.00    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#   67 PRO  HD2          67 PRO  HA          4.00    (#    292:20  Unique         4.03, 4.03 A)
 &rst
  ixpk= 292, nxpk= 20, iat=1018,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:293     67 PRO  HA          4.00    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1011,
 &end
#
#    0 AMB  20-2:294     67 PRO  HA          4.00    (#    294:20  Single Ambig)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1035,
 &end
#
#    0 AMB  20-2:295     67 PRO  HA          5.00    (#    295:20  Single Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018,1036,
 &end
#
#    0 AMB  20-2:296     67 PRO  HA          5.00    (#    296:20  Single Ambig)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019,1018,
 &end
#
#   67 PRO  HB2          67 PRO  HA          3.50    (#    297:20  Unique         2.73, 2.73 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1024,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLN  HB2          67 PRO  HA          4.20    (#    298:20  Unique         7.51, 7.51 A #relfrom4.0to4.2on0927)
 &rst
  ixpk= 298, nxpk= 20, iat=1071,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  20-2:300     67 PRO  HA          4.20    (#    300:20  Single Ambig #releasedfrom4.0to4.2on0927)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 989,1071,
 &end
#
#    0 AMB  20-2:302     65 LYS  HA          5.00    (#    302:20  Single Ambig)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 929, 953,1018,
 &end
#
#    0 AMB  20-2:303     65 LYS  HA          5.00    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 997, 998,1018,
 &end
#
#   65 LYS  HB2          65 LYS  HA          3.50    (#    304:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 988, 986, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:306     65 LYS  HA          3.50    (#    306:20  Single Ambig)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 992, 325, 327,
 &end
#
#    0 AMB  20-2:307     65 LYS  HA          6.00    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 915, 957, 302,
 &end
#
#    0 AMB  20-2:308     65 LYS  HA          3.00    (#    308:20  Single Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 241, 243, 242, 974, 917,
 &end
#
#   53 SER  HA           54 PRO  HA          6.00    (#    309:20  Unique         4.97, 4.97 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:310     54 PRO  HA          4.00    (#    310:20  Single Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 807, 799,
 &end
#
#    0 AMB  20-2:311     54 PRO  HA          4.00    (#    311:20  Single Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 808, 843,
 &end
#
#    0 AMB  20-2:312     54 PRO  HA          5.00    (#    312:20  Single Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:313     54 PRO  HA          3.00    (#    313:20  Single Ambig)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 811, 813, 810,
 &end
#
#    0 AMB  20-2:314     54 PRO  HA          3.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:315     54 PRO  HA          3.50    (#    315:20  Single Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 814, 811,
 &end
#
#    0 AMB  20-2:316     54 PRO  HA          5.00    (#    316:20  Single Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 848,
 &end
#
#    0 AMB  20-2:317     54 PRO  HA          4.00    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 846, 811, 845,
 &end
#
#    0 AMB  20-2:318     54 PRO  HA          4.00    (#    318:20  Single Ambig)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 854, 125, 126,
 &end
#
#    0 AMB  20-2:319     54 PRO  HA          6.00    (#    319:20  Single Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:320     54 PRO  HA          6.00    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#   99 VAL  HA          100 ALA  HA          5.00    (#    324:20  Unique         4.62, 4.62 A)
 &rst
  ixpk= 324, nxpk= 20, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:325    100 ALA  HA          6.00    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1572,1606,1526,
 &end
#
#    0 AMB  20-2:326    100 ALA  HA          6.00    (#    326:20  Single Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1606,
 &end
#
#    0 AMB  20-2:327    100 ALA  HA          5.00    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1604,1546,1603,1606,
 &end
#
#    0 AMB  20-2:328    100 ALA  HA          6.00    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:329    100 ALA  HA          3.00    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1562,1564,1563,
 &end
#
#    0 AMB  20-2:330    100 ALA  HA          5.00    (#    330:20  Single Ambig)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1553,1552,1554,
 &end
#
#   55 SER  HB2          55 SER  HA          3.00    (#    331:20  Unique         2.51, 2.51 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 824, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 SER  HB3          55 SER  HA          3.00    (#    332:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 825, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:333     55 SER  HA          5.00    (#    333:20  Single Ambig)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 720,
 &end
#
#    0 AMB  20-2:334     55 SER  HA          5.00    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:335     55 SER  HA          4.00    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 864, 811, 810,
 &end
#
#    0 AMB  20-2:336     55 SER  HA          4.50    (#    336:20  Single Ambig  releasedfrom4.0to4.5on0927)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:337     55 SER  HA          6.00    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 836, 835, 837, 811, 810,
 &end
#
#    0 AMB  20-2:338     55 SER  HA          5.00    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 855, 854, 856,1208, 193,
 &end
#
#   69 SER  HA           68 SER  HA          6.00    (#    339:20  Unique         4.68, 4.68 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1044,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:340      0 AMB  20-1:340    5.00    (#    340:20  Double Ambig)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1355,1046,1018,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:341      0 AMB  20-1:341    5.00    (#    341:20  Double Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1018, 348,1338, 347, 967,
 igr2=1033,1302,
 &end
#
#   68 SER  HB2          68 SER  HA          3.50    (#    342:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 342, nxpk= 20, iat=1035,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 SER  HB3          68 SER  HA          3.50    (#    343:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1036,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:344      0 AMB  20-1:344    5.00    (#    344:20  Double Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1290,1341,1291,1075,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:345      0 AMB  20-1:345    5.00    (#    345:20  Double Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1290,1024,1071,1341,1291,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:346     68 SER  HA          6.00    (#    346:20  Single Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 337, 339, 338,
 &end
#
#    0 AMB  20-2:347     56 ALA  HA          5.00    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1266, 879,
 &end
#
#    0 AMB  20-2:348     56 ALA  HA          5.00    (#    348:20  Single Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 824,1266, 843,
 &end
#
#    0 AMB  20-2:349     56 ALA  HA          5.00    (#    349:20  Single Ambig)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1266, 825, 800,1222,
 &end
#
#   59 ASP  HB2          56 ALA  HA          4.00    (#    350:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 ASP  HB3          56 ALA  HA          4.00    (#    351:20  Unique         3.54, 3.54 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:352     56 ALA  HA          3.00    (#    352:20  Single Ambig)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 835, 837, 836,
 &end
#
#    0 AMB  20-2:353     56 ALA  HA          5.00    (#    353:20  Single Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1328,
 &end
#
#    0 AMB  20-2:354     56 ALA  HA          4.00    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1208,1209,1211,1207,
 &end
#
#    0 AMB  20-2:355     56 ALA  HA          5.00    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1211,1215,1216,
 &end
#
#   69 SER  HA           69 SER  HB3         4.00    (#    356:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1044,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   69 SER  HB2          69 SER  HB3         3.00    (#    357:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 357, nxpk= 20, iat=1046,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:358     69 SER  HB3         4.00    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1054,1018,
 &end
#
#    0 AMB  20-2:359     69 SER  HB3         5.00    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018,1036,
 &end
#
#    0 AMB  20-2:360     69 SER  HB3         6.00    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1021,1022,
 &end
#
#    0 AMB  20-2:361     69 SER  HB3         5.00    (#    361:20  Single Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1075,1071,1074,1058,1072,
 &end
#
#   10 LEU  HA           86 LEU  HA          4.50    (#    363:20  Unique         4.88, 4.88 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 136,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:364     86 LEU  HA          6.00    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1338,  83,
 &end
#
#    0 AMB  20-2:365     86 LEU  HA          6.00    (#    365:20  Single Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1375,1222,
 &end
#
#    0 AMB  20-2:366     86 LEU  HA          6.00    (#    366:20  Single Ambig)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1277,1344,
 &end
#
#    0 AMB  20-2:367     86 LEU  HA          6.00    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1276,1343,1344,1290,
 &end
#
#    0 AMB  20-2:368     86 LEU  HA          6.00    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1341,1307,1344,1290,
 &end
#
#   86 LEU  HB3          86 LEU  HA          4.00    (#    369:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1322,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 LEU  HB2          86 LEU  HA          3.50    (#    370:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:372     86 LEU  HA          3.50    (#    372:20  Single Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1368,1367,1369,
 &end
#
#    0 AMB  20-2:374     86 LEU  HA          3.50    (#    374:20  Single Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 144, 145,
 &end
#
#   98 TYR  HD2          95 THR  HB          6.00    (#    377:20  Unique         4.48, 4.48 A)
 &rst
  ixpk= 377, nxpk= 20, iat=1538,1479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 ALA  HA           95 THR  HB          4.00    (#    378:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 632,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           95 THR  HB          4.00    (#    380:20  Unique         2.28, 2.28 A)
 &rst
  ixpk= 380, nxpk= 20, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:381     95 THR  HB          6.00    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 513,1395,
 &end
#
#    0 AMB  20-2:382     95 THR  HB          6.00    (#    382:20  Single Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1525,1425,1426,
 &end
#
#    0 AMB  20-2:383     95 THR  HB          6.00    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1425,1426,
 &end
#
#    0 AMB  20-2:384     95 THR  HB          6.00    (#    384:20  Single Ambig)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1546,1422, 563,
 &end
#
#    0 AMB  20-2:385     95 THR  HB          5.00    (#    385:20  Single Ambig)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1422,1423,1504,1607,
 &end
#
#    0 AMB  20-2:386     95 THR  HB          6.00    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1420,1422, 496,1419,1423,
 &end
#
#    0 AMB  20-2:387     95 THR  HB          5.00    (#    387:20  Single Ambig)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1420,1422,1493,1419,1494,1423,1495,
 &end
#
#    0 AMB  20-2:388     95 THR  HB          3.50    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1481,1483,1482,
 &end
#
#    0 AMB  20-2:389     95 THR  HB          4.00    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 569, 654, 571, 570, 655,1420,
 &end
#
#    0 AMB  20-2:390     95 THR  HB          6.00    (#    390:20  Single Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 499, 500, 498,
 &end
#
#   59 ASP  HA           63 THR  HB          5.00    (#    391:20  Unique         5.23, 5.23 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 879, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HA           63 THR  HB          6.00    (#    393:20  Unique         4.32, 4.32 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1154, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB3          63 THR  HB          6.00    (#    394:20  Unique         5.07, 5.07 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 882, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:398     63 THR  HB          5.00    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 894,1156,1143,
 &end
#
#   60 LEU  HG           63 THR  HB          5.00    (#    399:20  Unique         4.32, 4.32 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 896, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:400     63 THR  HB          5.00    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896, 935, 934,1211, 932,
 &end
#
#    0 AMB  20-2:401     63 THR  HB          5.00    (#    401:20  Single Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1205, 935, 934, 972,1211,
 &end
#
#    0 AMB  20-2:402     63 THR  HB          6.00    (#    402:20  Single Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 935, 934,1211,1227,
 &end
#
#    0 AMB  20-2:403     63 THR  HB          5.00    (#    403:20  Single Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896, 893, 935, 934, 239,1211,
 &end
#
#    0 AMB  20-2:404     63 THR  HB          6.00    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 896, 935, 934,1211,
 &end
#
#    0 AMB  20-2:405     63 THR  HB          3.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 959, 957, 958,
 &end
#
#    0 AMB  20-2:406     63 THR  HB          4.00    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1159, 247, 896,1158,1160, 246, 245,
 &end
#
#    0 AMB  20-2:407     63 THR  HB          4.00    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:408     63 THR  HB          6.00    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1211,1164,1163,
 &end
#
#   90 PHE  HA           89 ALA  HA          6.00    (#    410:20  Unique         5.01, 5.01 A)
 &rst
  ixpk= 410, nxpk= 20, iat=1375,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:412     89 ALA  HA          6.00    (#    412:20  Single Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1441,1442,1341,
 &end
#
#    0 AMB  20-2:413     89 ALA  HA          6.00    (#    413:20  Single Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1416,1441,1442,
 &end
#
#    0 AMB  20-2:415     89 ALA  HA          5.00    (#    415:20  Single Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1441,1419,1442,1423,1422,1420, 255, 693,1341,
 &end
#
#    0 AMB  20-2:416     89 ALA  HA          4.00    (#    416:20  Single Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1419,1423,1422,1420,1321,1341,
 &end
#
#    0 AMB  20-2:417     89 ALA  HA          3.00    (#    417:20  Single Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1369,1368,
 &end
#
#    0 AMB  20-2:418     89 ALA  HA          5.00    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1419,1423,1422,1420,1341,
 &end
#
#    0 AMB  20-2:419     89 ALA  HA          4.00    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 145,1419,1399, 144, 143,1420,1401,
 &end
#
#    0 AMB  20-2:422     96 ALA  HA          5.00    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1477, 275,
 &end
#
#    0 AMB  20-2:424     96 ALA  HA          6.00    (#    424:20  Single Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1441,1442,1455,1607,
 &end
#
#    0 AMB  20-2:425     96 ALA  HA          6.00    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1503,1420,1442,1419,
 &end
#
#    0 AMB  20-2:426     96 ALA  HA          3.00    (#    426:20  Single Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1493,1495,1494,
 &end
#
#    0 AMB  20-2:427     96 ALA  HA          5.00    (#    427:20  Single Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1482,1483,1420,1481,1506,1419, 502,
 &end
#
#    0 AMB  20-2:428     96 ALA  HA          4.00    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1548,1550,1420,1549,
 &end
#
#    0 AMB  20-2:429     75 GLN  HA          5.00    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1189,1103,
 &end
#
#    0 AMB  20-2:432     75 GLN  HA          6.00    (#    432:20  Single Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1103,1203,
 &end
#
#   76 VAL  HA           75 GLN  HA          6.00    (#    433:20  Unique         4.71, 4.71 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1154,1137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ASN  HB3          75 GLN  HA          4.00    (#    434:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1192,1137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:435     75 GLN  HA          4.00    (#    435:20  Single Ambig)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1191,1126,1125,
 &end
#
#    0 AMB  20-2:436     75 GLN  HA          3.50    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1142,1122,1126,1125,1123,1072,
 &end
#
#   75 GLN  HB2          75 GLN  HA          3.00    (#    438:20  Unique         2.40, 2.40 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 GLN  HB3          75 GLN  HA          3.00    (#    439:20  Unique         2.41, 2.41 A)
 &rst
  ixpk= 439, nxpk= 20, iat=1140,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:440     75 GLN  HA          4.00    (#    440:20  Single Ambig)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1122,1126,1125,1123,1205,1072,1211,
 &end
#
#    0 AMB  20-2:441     75 GLN  HA          6.00    (#    441:20  Single Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 958, 959, 957,1211,
 &end
#
#    0 AMB  20-2:442     75 GLN  HA          6.00    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1159,1211,1158,1160,1175,
 &end
#
#    0 AMB  20-2:443     75 GLN  HA          6.00    (#    443:20  Single Ambig)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 416, 414, 415,1211,
 &end
#
#    0 AMB  20-2:444     75 GLN  HA          5.00    (#    444:20  Single Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1214,1216,1215,1211,
 &end
#
#   59 ASP  HA           62 ARG  HA          6.00    (#    445:20  Unique         5.98, 5.98 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 879, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:446     62 ARG  HA          6.00    (#    446:20  Single Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 986,1018,
 &end
#
#    0 AMB  20-2:447     62 ARG  HA          5.00    (#    447:20  Single Ambig)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 938, 937,
 &end
#
#    0 AMB  20-2:448     62 ARG  HA          5.00    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 997, 938, 998,
 &end
#
#    0 AMB  20-2:449     62 ARG  HA          3.00    (#    449:20  Single Ambig)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 932, 935, 934,
 &end
#
#    0 AMB  20-2:450     62 ARG  HA          3.50    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:451     62 ARG  HA          3.50    (#    451:20  Single Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 934, 989, 915,
 &end
#
#    0 AMB  20-2:452     62 ARG  HA          3.50    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:453     62 ARG  HA          4.00    (#    453:20  Single Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:454     62 ARG  HA          5.00    (#    454:20  Single Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 243, 242, 915, 241, 917, 919, 918,
 &end
#
#   83 ASN  HA           52 ILE  HA          6.00    (#    456:20  Unique         5.20, 5.20 A)
 &rst
  ixpk= 456, nxpk= 20, iat=1274, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:457     52 ILE  HA          6.00    (#    457:20  Single Ambig)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 729, 797,
 &end
#
#    0 AMB  20-2:458     52 ILE  HA          5.00    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 767,1263,
 &end
#
#    0 AMB  20-2:459     52 ILE  HA          6.00    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 723,1266,
 &end
#
#    0 AMB  20-2:460     52 ILE  HA          6.00    (#    460:20  Single Ambig)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266, 816, 715,
 &end
#
#    0 AMB  20-2:461     52 ILE  HA          5.00    (#    461:20  Single Ambig)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1265, 743,1266, 715,  68,
 &end
#
#    0 AMB  20-2:462     52 ILE  HA          5.00    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 770, 769,1287, 800,1266, 715,
 &end
#
#    0 AMB  20-2:463     52 ILE  HA          5.00    (#    463:20  Single Ambig)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 720, 810, 811,
 &end
#
#    0 AMB  20-2:464     52 ILE  HA          5.00    (#    464:20  Single Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 810, 811, 746, 745,
 &end
#
#    0 AMB  20-2:465     52 ILE  HA          5.00    (#    465:20  Single Ambig)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 721, 810, 718, 811, 717,
 &end
#
#   52 ILE  HB           52 ILE  HA          4.00    (#    466:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 780, 778, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:467     52 ILE  HA          4.00    (#    467:20  Single Ambig)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 810,
 &end
#
#    0 AMB  20-2:468     52 ILE  HA          6.00    (#    468:20  Single Ambig)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 811, 836, 746, 835,
 &end
#
#   52 ILE  HG13         52 ILE  HA          4.50    (#    469:20  Unique  3.83, 3.83 A released0919from4to4.5)
 &rst
  ixpk= 469, nxpk= 20, iat= 787, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:470     52 ILE  HA          3.00    (#    470:20  Single Ambig)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 783, 782, 784,
 &end
#
#    0 AMB  20-2:472     52 ILE  HA          6.00    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 732,1277,
 &end
#
#    0 AMB  20-2:473     52 ILE  HA          6.00    (#    473:20  Single Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1276, 810, 811,
 &end
#
#    0 AMB  20-2:475     88 ALA  HA          5.50    (#    475:20  Single Ambigreleasedon0619spindiff?)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1319,
 &end
#
#   87 MET  HA           88 ALA  HA          6.00    (#    476:20  Unique         4.72, 4.72 A)
 &rst
  ixpk= 476, nxpk= 20, iat=1338,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:478     88 ALA  HA          6.00    (#    478:20  Single Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1395, 205,
 &end
#
#    0 AMB  20-2:479     88 ALA  HA          6.00    (#    479:20  Single Ambig)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1344,1377,1426,
 &end
#
#    0 AMB  20-2:480     88 ALA  HA          6.00    (#    480:20  Single Ambig)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1343,1344,
 &end
#
#    0 AMB  20-2:481     88 ALA  HA          5.00    (#    481:20  Single Ambig)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1341,1344,
 &end
#
#    0 AMB  20-2:482     88 ALA  HA          6.00    (#    482:20  Single Ambig)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1344,1438,
 &end
#
#    0 AMB  20-2:483     88 ALA  HA          4.00    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1397,1341,
 &end
#
#    0 AMB  20-2:484     88 ALA  HA          5.00    (#    484:20  Single Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1403,1341,1423,1344,1422,
 &end
#
#    0 AMB  20-2:485     88 ALA  HA          6.00    (#    485:20  Single Ambig)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1423,1344,1422,1419,
 &end
#
#    0 AMB  20-2:486     88 ALA  HA          6.00    (#    486:20  Single Ambig)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1423,1422, 471,1419,
 &end
#
#    0 AMB  20-2:487     88 ALA  HA          3.00    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1357,1359,1358,
 &end
#
#    0 AMB  20-2:488     88 ALA  HA          6.00    (#    488:20  Single Ambig)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1341,1423,1422,1419,
 &end
#
#    0 AMB  20-2:489     88 ALA  HA          6.00    (#    489:20  Single Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 507,1419, 503, 505, 258,
 &end
#
#    0 AMB  20-2:490     88 ALA  HA          4.00    (#    490:20  Single Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1406,1407,
 &end
#
#    0 AMB  20-2:491     88 ALA  HA          5.00    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1401,1399,1400,1330, 550, 551,1419,
 &end
#
#   67 PRO  HD2          66 SER  HB2         6.00    (#    499:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 PRO  HD2          66 SER  HB2         5.00    (#    500:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 PRO  HD2          66 SER  HB2         4.00    (#    501:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 501, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:502     66 SER  HB2         4.00    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1019,
 &end
#
#    0 AMB  20-2:503     66 SER  HB2         6.00    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1074,1075,
 &end
#
#    0 AMB  20-2:504     66 SER  HB2         5.00    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:505     66 SER  HB2         6.00    (#    505:20  Single Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1024,1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:506     66 SER  HB2         5.00    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1021,1022,1071,1074,1075,
 &end
#
#    0 AMB  20-2:507     66 SER  HB2         5.00    (#    507:20  Single Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:508     66 SER  HB2         4.00    (#    508:20  Single Ambig)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 931, 988, 935,1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:509     66 SER  HB2         6.00    (#    509:20  Single Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 989,1071,1074,1075,1072, 934,
 &end
#
#    0 AMB  20-2:510     66 SER  HB2         6.00    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 337, 958, 339, 338, 957, 934,
 &end
#
#    0 AMB  20-2:515     54 PRO  HD2         3.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 797, 729,
 &end
#
#    0 AMB  20-2:516     54 PRO  HD2         5.00    (#    516:20  Single Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 816,   6, 715,
 &end
#
#    0 AMB  20-2:517     54 PRO  HD2         6.00    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 715,1266,
 &end
#
#   48 PRO  HD3          54 PRO  HD2         6.00    (#    518:20  Unique         6.00, 6.00 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 715, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:519     54 PRO  HD2         5.00    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 810, 813, 811,
 &end
#
#    0 AMB  20-2:520     54 PRO  HD2         4.00    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:521     54 PRO  HD2         4.00    (#    521:20  Single Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 810, 811, 814,
 &end
#
#    0 AMB  20-2:522     54 PRO  HD2         5.00    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 125, 124, 126, 782, 783, 854,
 &end
#
#    0 AMB  20-2:523     87 MET  HA          6.00    (#    523:20  Single Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1385,1383,
 &end
#
#    0 AMB  20-2:525      0 AMB  20-1:525    5.00    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1103,  28,1189, 723,
 igr2=1120, 743,
 &end
#
#   73 GLN  HA           74 GLN  HA          5.00    (#    526:20  Unique         4.30, 4.30 A)
 &rst
  ixpk= 526, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 GLN  HA           74 GLN  HA          5.00    (#    527:20  Unique         4.30, 4.30 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   50 ARG  HD2          50 ARG  HA          5.00    (#    528:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 751, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:529     74 GLN  HA          5.00    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1126,1125,
 &end
#
#    0 AMB  20-2:530     74 GLN  HA          3.50    (#    530:20  Single Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1123,1122,1126,
 &end
#
#    0 AMB  20-2:531     87 MET  HA          3.00    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1341,1344, 258,1347,
 &end
#
#    0 AMB  20-2:532     74 GLN  HA          4.00    (#    532:20  Single Ambig)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1172,1123,1122,
 &end
#
#    0 AMB  20-2:533     50 ARG  HA          5.00    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 745, 749, 748,
 &end
#
#    0 AMB  20-2:534     74 GLN  HA          5.00    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1175,1177,1178,
 &end
#
#    0 AMB  20-2:535     74 GLN  HA          5.00    (#    535:20  Single Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1182,1181,1183,
 &end
#
#    0 AMB  20-2:536      0 AMB  20-1:536    5.00    (#    536:20  Double Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1182, 408, 790,1181, 791, 409,1183, 789, 407,
 igr2=1120, 743,
 &end
#
#    0 AMB  20-2:539     97 LYS  HA          6.00    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#    0 AMB  20-2:541     97 LYS  HA          5.00    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 297, 272,1560,
 &end
#
#    0 AMB  20-2:542     97 LYS  HA          5.00    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1512,1513,
 &end
#
#    0 AMB  20-2:543     97 LYS  HA          6.00    (#    543:20  Single Ambig)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1442,
 &end
#
#   97 LYS  HB3          97 LYS  HA          6.00    (#    544:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1504,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:545     97 LYS  HA          3.00    (#    545:20  Single Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1509,1503,1504,
 &end
#
#    0 AMB  20-2:546     97 LYS  HA          4.00    (#    546:20  Single Ambig)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1504,1494,1495,
 &end
#
#    0 AMB  20-2:547     97 LYS  HA          4.00    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1506,
 &end
#
#   97 LYS  HG3          97 LYS  HA          5.00    (#    548:20  Unique         3.24, 3.24 A)
 &rst
  ixpk= 548, nxpk= 20, iat=1507,1501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:549     97 LYS  HA          6.00    (#    549:20  Single Ambig)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1553, 366, 367,
 &end
#
#   53 SER  HA           53 SER  HB2         4.00    (#    562:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 562, nxpk= 20, iat= 797, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:563     53 SER  HB2         5.50    (#    563:20  Single Ambig  released5.0to5.5on0925)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   6, 833,1266,
 &end
#
#    0 AMB  20-2:564     53 SER  HB2         6.00    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:565     53 SER  HB2         6.00    (#    565:20  Single Ambig)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 811, 122, 810, 814,
 &end
#
#    0 AMB  20-2:566     53 SER  HB2         6.00    (#    566:20  Single Ambig)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 811, 122, 810, 780,
 &end
#
#    0 AMB  20-2:567     53 SER  HB2         4.00    (#    567:20  Single Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 811, 122, 810, 836,
 &end
#
#    9 LEU  HG           53 SER  HB2         6.00    (#    568:20  Unique         4.56, 4.56 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 122, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:569     53 SER  HB2         5.00    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 125, 124,
 &end
#
#    0 AMB  20-2:570     94 ARG  HA          5.00    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1538,1383,1529,
 &end
#
#    0 AMB  20-2:571     94 ARG  HA          5.50    (#    571:20  Unique         4.53, 4.53 A #keepitsgood1015)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1389,1381,
 &end
#
#    0 AMB  20-2:572     94 ARG  HA          6.00    (#    572:20  Single Ambig)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#    0 AMB  20-2:574     94 ARG  HA          6.00    (#    574:20  Single Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1395, 205, 513,
 &end
#
#   94 ARG  HD2          94 ARG  HA          4.00    (#    575:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1461,1453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:576     94 ARG  HA          4.00    (#    576:20  Single Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1462,1442,
 &end
#
#    0 AMB  20-2:577     94 ARG  HA          4.00    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1455,
 &end
#
#   97 LYS  HB3          94 ARG  HA          6.00    (#    578:20  Unique         2.59, 2.59 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1504,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:579     94 ARG  HA          4.00    (#    579:20  Single Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1456,1504,1503,
 &end
#
#    0 AMB  20-2:580     94 ARG  HA          4.00    (#    580:20  Single Ambig)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1458,
 &end
#
#    0 AMB  20-2:581     94 ARG  HA          5.00    (#    581:20  Single Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1459,
 &end
#
#    0 AMB  20-2:582     94 ARG  HA          5.00    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1506,
 &end
#
#    0 AMB  20-2:583     94 ARG  HA          5.00    (#    583:20  Single Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1507, 256, 258,
 &end
#
#    0 AMB  20-2:584     94 ARG  HA          5.00    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 506, 507, 503, 505, 258,
 &end
#
#    0 AMB  20-2:585     94 ARG  HA          5.00    (#    585:20  Single Ambig)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 366, 367, 365, 571, 569, 570, 362, 363, 361, 567,
       565, 566,
 &end
#
#    0 AMB  20-2:586     94 ARG  HA          5.00    (#    586:20  Single Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 500, 498, 499, 260,
 &end
#
#    0 AMB  20-2:588     66 SER  HB3         5.00    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018, 986,
 &end
#
#   67 PRO  HD2          66 SER  HB3         5.00    (#    589:20  Unique         3.77, 3.77 A)
 &rst
  ixpk= 589, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 PRO  HD2          66 SER  HB3         6.00    (#    590:20  Unique         3.77, 3.77 A)
 &rst
  ixpk= 590, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:591     66 SER  HB3         6.00    (#    591:20  Single Ambig)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1018, 938,
 &end
#
#    0 AMB  20-2:592     66 SER  HB3         5.00    (#    592:20  Single Ambig)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1071,1074,1072,1075,1024,
 &end
#
#    0 AMB  20-2:593     66 SER  HB3         4.00    (#    593:20  Single Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1071,1074,1072,1075,
 &end
#
#    0 AMB  20-2:594     66 SER  HB3         6.00    (#    594:20  Single Ambig)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 969, 932, 934,1071,1074,1072,
 &end
#
#    0 AMB  20-2:595     66 SER  HB3         6.00    (#    595:20  Single Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 935, 934,
 &end
#
#    0 AMB  20-2:596     66 SER  HB3         6.00    (#    596:20  Single Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 935, 957, 958, 934, 959,
 &end
#
#   63 THR  HB           60 LEU  HA          5.00    (#    598:20  Unique         2.11, 2.11 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 955, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ILE  HA           60 LEU  HA          6.00    (#    600:20  Unique         6.01, 6.01 A)
 &rst
  ixpk= 600, nxpk= 20, iat=1203, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           60 LEU  HA          6.00    (#    601:20  Unique         4.64, 4.64 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1154, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB2          60 LEU  HA          6.00    (#    602:20  Unique         4.96, 4.96 A)
 &rst
  ixpk= 602, nxpk= 20, iat= 881, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB3          60 LEU  HA          6.00    (#    603:20  Unique         4.04, 4.04 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 882, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:604     57 LEU  HA          6.00    (#    604:20  Single Ambig)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 169, 811, 173,
 &end
#
#   60 LEU  HB3          60 LEU  HA          4.00    (#    605:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 894, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:606     60 LEU  HA          5.00    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896,1205,1211, 934, 912,
 &end
#
#    0 AMB  20-2:607     60 LEU  HA          3.00    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 893, 896,
 &end
#
#    0 AMB  20-2:608     60 LEU  HA          6.00    (#    608:20  Single Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 970,1211, 934, 935,
 &end
#
#    0 AMB  20-2:609     60 LEU  HA          5.00    (#    609:20  Single Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896, 959, 957, 958,1211,
 &end
#
#    0 AMB  20-2:610     60 LEU  HA          3.50    (#    610:20  Single Ambig  #released3.0to3.5on0926)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 896,1211, 243, 975, 242,
 &end
#
#    0 AMB  20-2:611     60 LEU  HA          4.00    (#    611:20  Single Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:612     60 LEU  HA          6.00    (#    612:20  Single Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1211,1162, 261,1164, 262,
 &end
#
#   83 ASN  HA            0 AMB  20-1:613    6.00    (#    613:20  Single Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#   82 SER  HB3          82 SER  HB2         6.00    (#    614:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 614, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 SER  HB3          82 SER  HB2         4.00    (#    615:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB3           0 AMB  20-1:616    6.00    (#    616:20  Single Ambig)
 &rst
  ixpk= 616, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#   83 ASN  HB2           0 AMB  20-1:617    6.00    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:618      0 AMB  20-1:618    5.00    (#    618:20  Double Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1205,1244,1211,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:619      0 AMB  20-1:619    6.00    (#    619:20  Double Ambig)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1249,1211,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:620      0 AMB  20-1:620    6.00    (#    620:20  Double Ambig)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 835, 836, 837,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:621      0 AMB  20-1:621    6.00    (#    621:20  Double Ambig)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1326,1328,1327,1212,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:622      0 AMB  20-1:622    6.00    (#    622:20  Double Ambig)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 787,1211,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:623      0 AMB  20-1:623    5.00    (#    623:20  Double Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 782, 784,1208, 783,1207,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:624      0 AMB  20-1:624    6.00    (#    624:20  Double Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1211,1215,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:628     64 LEU  HA          6.00    (#    628:20  Single Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1071,1142,
 &end
#
#    0 AMB  20-2:629     64 LEU  HA          6.00    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1072,1071,
 &end
#
#    0 AMB  20-2:630     64 LEU  HA          5.00    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1156,1143,1072,1071, 894, 405,
 &end
#
#   64 LEU  HB2          64 LEU  HA          4.00    (#    631:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:632     64 LEU  HA          4.00    (#    632:20  Single Ambig)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 972, 896,1072,
 &end
#
#    0 AMB  20-2:633     64 LEU  HA          4.00    (#    633:20  Single Ambig)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 239, 896, 991,1072,1071,
 &end
#
#    0 AMB  20-2:634     64 LEU  HA          4.00    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 970, 327, 326,
 &end
#
#    0 AMB  20-2:635     64 LEU  HA          5.00    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957, 958, 959, 338,
 &end
#
#    0 AMB  20-2:636     64 LEU  HA          3.00    (#    636:20  Single Ambig)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 974, 975, 976,
 &end
#
#    0 AMB  20-2:637     64 LEU  HA          6.00    (#    637:20  Single Ambig)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1164, 261,1163,
 &end
#
#   63 THR  HB           63 THR  HA          3.50    (#    648:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 648, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:649     63 THR  HA          6.00    (#    649:20  Single Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 937, 938,1018,
 &end
#
#    0 AMB  20-2:650     63 THR  HA          6.00    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 882,1074,1075,
 &end
#
#    0 AMB  20-2:651     63 THR  HA          5.00    (#    651:20  Single Ambig)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1072,1074,1142,1071,1075,
 &end
#
#    0 AMB  20-2:652     63 THR  HA          6.00    (#    652:20  Single Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:653     63 THR  HA          6.00    (#    653:20  Single Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1139,1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:654     63 THR  HA          5.00    (#    654:20  Single Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1072,1074,1071, 896,1140,1075,
 &end
#
#    0 AMB  20-2:655     63 THR  HA          5.00    (#    655:20  Single Ambig)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1143,1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:656     63 THR  HA          5.00    (#    656:20  Single Ambig)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 935, 934, 932,1072,1074,
 &end
#
#    0 AMB  20-2:657     63 THR  HA          6.00    (#    657:20  Single Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 935, 934,1072,1074,1071,
 &end
#
#    0 AMB  20-2:658     63 THR  HA          5.00    (#    658:20  Single Ambig)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 935, 934,1072,
 &end
#
#    0 AMB  20-2:659     63 THR  HA          3.50    (#    659:20  Single Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 958, 957, 935, 959,
 &end
#
#    0 AMB  20-2:660     63 THR  HA          6.00    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 243, 975, 974, 896,1211, 242, 241,
 &end
#
#    0 AMB  20-2:661     63 THR  HA          6.00    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1159, 247, 896,1211,1160,1158,
 &end
#
#    0 AMB  20-2:662     63 THR  HA          6.00    (#    662:20  Single Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:663     63 THR  HA          6.00    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1163,1164,1211,
 &end
#
#    0 AMB  20-2:664     63 THR  HA          6.50    (#    664:20  Single Ambig #spindiff?0619)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 978,1209, 979,1211,
 &end
#
#  103 PRO  HA          104 GLY  HA2         6.00    (#    665:20  Unique         4.74, 4.74 A)
 &rst
  ixpk= 665, nxpk= 20, iat=1609,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:666    104 GLY  HA2         6.00    (#    666:20  Single Ambig)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1606,1604,
 &end
#
#    0 AMB  20-2:667    104 GLY  HA2         6.00    (#    667:20  Single Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1606,1603,1604,1633,
 &end
#
#    0 AMB  20-2:668    104 GLY  HA2         5.50    (#    668:20  Single Ambig #released5to5.5on1016)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1606,1607,1604,
 &end
#
#   59 ASP  HB2          55 SER  HB2         6.00    (#    670:20  Unique         4.94, 4.94 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 881, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 PRO  HB2          55 SER  HB2         6.00    (#    671:20  Unique         6.73, 6.73 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 720, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLN  HB2          55 SER  HB2         5.00    (#    673:20  Unique         6.44, 6.44 A)
 &rst
  ixpk= 673, nxpk= 20, iat= 864, 824, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:675     55 SER  HB2         6.00    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 718,1211, 814,
 &end
#
#    0 AMB  20-2:676     55 SER  HB2         6.00    (#    676:20  Single Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 846,1211, 845,
 &end
#
#    0 AMB  20-2:677     55 SER  HB2         6.00    (#    677:20  Single Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 835, 836, 837,1211,
 &end
#
#    0 AMB  20-2:678     55 SER  HB2         6.00    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1208,1211, 855,1209,
 &end
#
#    0 AMB  20-2:692     84 PRO  HD2         5.00    (#    692:20  Single Ambig)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:693     84 PRO  HD2         5.00    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:711      0 AMB  20-1:711    6.00    (#    711:20  Double Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1170,1414,1203,1266,
 igr2=1222,1436,
 &end
#
#    0 AMB  20-2:712      0 AMB  20-1:712    4.00    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1441,1442,1344,
 igr2=1436,1222,
 &end
#
#    0 AMB  20-2:713     93 GLN  HA          3.00    (#    713:20  Single Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1438,1439,1441,1442,
 &end
#
#    0 AMB  20-2:714     61 LEU  HA          3.50    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 915, 236, 896,
 &end
#
#    0 AMB  20-2:715     61 LEU  HA          5.00    (#    715:20  Single Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 915, 239, 896, 991,
 &end
#
#    0 AMB  20-2:716     61 LEU  HA          5.00    (#    716:20  Single Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 915, 992, 896,
 &end
#
#    0 AMB  20-2:717      0 AMB  20-1:717    3.50    (#    717:20  Double Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1420,1181,1211, 409,1183,
 igr2=1436,1222,
 &end
#
#    0 AMB  20-2:718     80 LEU  HA          5.00    (#    718:20  Single Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1338,1266,1265, 891,
 &end
#
#    0 AMB  20-2:719     80 LEU  HA          6.00    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1344,1277,
 &end
#
#    0 AMB  20-2:720     80 LEU  HA          6.00    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1343,1344,1341,
 &end
#
#    0 AMB  20-2:721     80 LEU  HA          4.00    (#    721:20  Single Ambig)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1344,1341, 896, 258,1243,1211,1347,
 &end
#
#    0 AMB  20-2:722     80 LEU  HA          4.00    (#    722:20  Single Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1227,1224,1322,
 &end
#
#   80 LEU  HB3          80 LEU  HA          5.00    (#    723:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 723, nxpk= 20, iat=1225,1222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:725     80 LEU  HA          4.00    (#    725:20  Single Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1230,1229,1231,
 &end
#
#    0 AMB  20-2:726     80 LEU  HA          5.00    (#    726:20  Single Ambig)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1234,1233,
 &end
#
#    0 AMB  20-2:727     55 SER  HB3         6.00    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 720, 810, 811,
 &end
#
#    0 AMB  20-2:728     55 SER  HB3         6.00    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:729     55 SER  HB3         5.00    (#    729:20  Single Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 864, 810, 811,
 &end
#
#    0 AMB  20-2:730     55 SER  HB3         5.00    (#    730:20  Single Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:731     55 SER  HB3         6.00    (#    731:20  Single Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 718, 814, 810, 811,
 &end
#
#    0 AMB  20-2:732     55 SER  HB3         6.00    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 835, 836, 810, 837, 811,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    6.00    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 810, 811,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:735      0 AMB  20-1:735    6.00    (#    735:20  Double Ambig)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  73, 810, 811, 746,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    5.00    (#    736:20  Double Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 810, 811, 746,  70,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    5.00    (#    737:20  Double Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=   8, 810, 811, 746, 749,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:738      0 AMB  20-1:738    6.00    (#    738:20  Double Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 810, 811, 746, 749,  71, 748, 745, 122,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:739      0 AMB  20-1:739    6.00    (#    739:20  Double Ambig)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 810, 811, 746, 749, 748, 745, 122,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:740      0 AMB  20-1:740    5.00    (#    740:20  Double Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 810, 811, 746,1246, 749, 748, 786, 745,
 igr2= 770,1266, 769,
 &end
#
#    0 AMB  20-2:741      0 AMB  20-1:741    6.00    (#    741:20  Double Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 810, 811, 746, 749, 748, 745,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:742      0 AMB  20-1:742    5.00    (#    742:20  Single Ambig)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 850, 851, 852, 854, 855, 856,1326,1327,1328,1330,
      1331,1332,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:743      0 AMB  20-1:743    5.00    (#    743:20  Double Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 790, 130, 791, 789, 128,
 igr2= 770, 769,
 &end
#
#   98 TYR  HD2          95 THR  HA          5.00    (#    744:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 744, nxpk= 20, iat=1538,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:745     95 THR  HA          6.00    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#    0 AMB  20-2:746     95 THR  HA          5.00    (#    746:20  Single Ambig)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 632,1523,
 &end
#
#   95 THR  HB           95 THR  HA          5.00    (#    747:20  Unique         2.28, 2.28 A)
 &rst
  ixpk= 747, nxpk= 20, iat=1479,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 TYR  HB2          95 THR  HA          6.00    (#    748:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 748, nxpk= 20, iat=1525,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:749     95 THR  HA          6.00    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1526,1425,
 &end
#
#    0 AMB  20-2:750     95 THR  HA          6.00    (#    750:20  Single Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1422, 516,1423,
 &end
#
#    0 AMB  20-2:751     95 THR  HA          6.00    (#    751:20  Single Ambig)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1456, 496,1504,1420,1422,1503,
 &end
#
#    0 AMB  20-2:752     95 THR  HA          6.00    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1504,1420,1493,1494,1422,1458,1495, 516,1419,
 &end
#
#    0 AMB  20-2:753     95 THR  HA          4.00    (#    753:20  Single Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1481,1482,1483, 502,
 &end
#
#    0 AMB  20-2:754     95 THR  HA          6.00    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1550,1420, 506,1549, 507,1548, 505,
 &end
#
#    0 AMB  20-2:755     95 THR  HA          4.00    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 571, 570, 569, 654, 655,1420,
 &end
#
#    0 AMB  20-2:756     95 THR  HA          5.00    (#    756:20  Single Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 500, 499, 498,
 &end
#
#    0 AMB  20-2:757     90 PHE  HA          6.00    (#    757:20  Single Ambig)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1387,1385,
 &end
#
#   90 PHE  HD1          90 PHE  HA          5.00    (#    758:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 758, nxpk= 20, iat=1381,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:759     90 PHE  HA          5.50    (#    759:20  Single Ambig #5to5.5on1015weak)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 253,1453, 184,
 &end
#
#    0 AMB  20-2:760     90 PHE  HA          4.00    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 206,1378,
 &end
#
#   90 PHE  HB2          90 PHE  HA          4.00    (#    761:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:762     90 PHE  HA          6.00    (#    762:20  Single Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1442,1441,
 &end
#
#    0 AMB  20-2:763     90 PHE  HA          6.00    (#    763:20  Single Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1442,1441,1416,
 &end
#
#    0 AMB  20-2:764     90 PHE  HA          5.00    (#    764:20  Single Ambig)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258,1442,1441,1455,1397,
 &end
#
#    0 AMB  20-2:765     90 PHE  HA          5.00    (#    765:20  Single Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258,1442,1441,
 &end
#
#   17 LEU  HG           90 PHE  HA          6.00    (#    766:20  Unique         3.70, 3.70 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 258,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:767     90 PHE  HA          5.00    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 258,1368,1369,1367,
 &end
#
#    0 AMB  20-2:768     90 PHE  HA          4.00    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1331,1330, 145,1332, 143, 980, 144,1399,1400, 979,
      
 &end
#
#    0 AMB  20-2:769     90 PHE  HA          4.50    (#    769:20  Single Ambig #bintootight0703-releasedfrom4to4.5)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 265, 264, 266,
 &end
#
#    0 AMB  20-2:770     90 PHE  HA          6.00    (#    770:20  Single Ambig  Spindiff?0614)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1231,1230,1229,
 &end
#
#    0 AMB  20-2:771     90 PHE  HA          6.00    (#    771:20  Single Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#   69 SER  HA           68 SER  HB3         6.00    (#    772:20  Unique         6.17, 6.17 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1044,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GLN  HB2          68 SER  HB3         6.00    (#    774:20  Unique         7.96, 7.96 A)
 &rst
  ixpk= 774, nxpk= 20, iat=1071,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:775     68 SER  HB3         6.00    (#    775:20  Single Ambig)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1024,1071,
 &end
#
#    0 AMB  20-2:776     68 SER  HB3         6.00    (#    776:20  Single Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1021,1022,1071,
 &end
#
#    0 AMB  20-2:777     68 SER  HB3         6.00    (#    777:20  Single Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 376,1071,
 &end
#
#    0 AMB  20-2:778     68 SER  HB3         6.00    (#    778:20  Single Ambig)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 356,1071,
 &end
#
#    0 AMB  20-2:779     68 SER  HB3         6.00    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 337, 339, 338,
 &end
#
#   25 LEU  HD21         68 SER  HB3         6.00    (#    780:20  Unique         7.57, 7.57 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 365,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLN  HA          103 PRO  HD2         3.50    (#    781:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1584,1600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 PRO  HA          103 PRO  HD2         6.00    (#    782:20  Unique         4.02, 4.02 A)
 &rst
  ixpk= 782, nxpk= 20, iat=1609,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:783    103 PRO  HD2         6.00    (#    783:20  Single Ambig)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1606,1572,
 &end
#
#    0 AMB  20-2:784      0 AMB  20-1:784    5.00    (#    784:20  Double Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1024,1606,
 igr2=1600,1018,
 &end
#
#    0 AMB  20-2:785    103 PRO  HD2         5.00    (#    785:20  Single Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:786    103 PRO  HD2         3.50    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1603,1604,
 &end
#
#    0 AMB  20-2:787    103 PRO  HD2         3.00    (#    787:20  Single Ambig)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:789     77 LEU  HA          6.00    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1189, 203,
 &end
#
#   80 LEU  HA           77 LEU  HA          5.00    (#    790:20  Unique         4.73, 4.73 A)
 &rst
  ixpk= 790, nxpk= 20, iat=1222,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 MET  HG3          77 LEU  HA          6.00    (#    791:20  Unique         4.17, 4.17 A)
 &rst
  ixpk= 791, nxpk= 20, iat=1344,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:792     77 LEU  HA          6.00    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1156,1344,1122,1123, 405,
 &end
#
#    0 AMB  20-2:793     77 LEU  HA          5.00    (#    793:20  Single Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1175,1344,1348,1347,1122,1349, 258,1123,
 &end
#
#    0 AMB  20-2:794     77 LEU  HA          4.00    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1224,1172,
 &end
#
#    0 AMB  20-2:795     77 LEU  HA          4.00    (#    795:20  Single Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1175,1344,1122, 258,1123,
 &end
#
#    0 AMB  20-2:796     77 LEU  HA          5.00    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1175,1122, 258,1123,1246,1341,
 &end
#
#    0 AMB  20-2:797     77 LEU  HA          5.00    (#    797:20  Single Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1175,
 &end
#
#    0 AMB  20-2:798     77 LEU  HA          5.00    (#    798:20  Single Ambig)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1225,1175,
 &end
#
#    0 AMB  20-2:799     77 LEU  HA          5.00    (#    799:20  Single Ambig)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 414, 415, 416,
 &end
#
#    0 AMB  20-2:800     77 LEU  HA          3.50    (#    800:20  Single Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1181,1182,1183, 409, 408,
 &end
#
#    0 AMB  20-2:801     77 LEU  HA          5.00    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1163,1164,1162,
 &end
#
#    0 AMB  20-2:802     77 LEU  HA          5.00    (#    802:20  Single Ambig)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1229,1230,
 &end
#
#    0 AMB  20-2:803     77 LEU  HA          4.00    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1233,1234,1235,
 &end
#
#    0 AMB  20-2:804     77 LEU  HA          5.00    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1178,1177,1175,1179,
 &end
#
#   82 SER  HA           79 ILE  HA          6.00    (#    819:20  Unique         5.64, 5.64 A)
 &rst
  ixpk= 819, nxpk= 20, iat=1263,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:820     79 ILE  HA          6.00    (#    820:20  Single Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1189,
 &end
#
#    0 AMB  20-2:821     79 ILE  HA          4.00    (#    821:20  Single Ambig)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1266,1265, 891,
 &end
#
#    0 AMB  20-2:822     79 ILE  HA          6.00    (#    822:20  Single Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1222,
 &end
#
#    0 AMB  20-2:823     79 ILE  HA          6.00    (#    823:20  Single Ambig)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1154,
 &end
#
#   78 ASN  HB3          79 ILE  HA          6.00    (#    824:20  Unique         4.53, 4.53 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1192,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:825     79 ILE  HA          6.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881,1191,
 &end
#
#   59 ASP  HB3          79 ILE  HA          6.00    (#    826:20  Unique         5.07, 5.07 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 882,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:827     79 ILE  HA          6.50    (#    827:20  Single Ambig releasedon0920to6.5from6.0)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 894,1156,
 &end
#
#    0 AMB  20-2:828     79 ILE  HA          3.50    (#    828:20  Single Ambig)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1211,1205,
 &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    829:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 829, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:830     79 ILE  HA          6.00    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 837, 835,
 &end
#
#    0 AMB  20-2:831     79 ILE  HA          4.00    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:832     79 ILE  HA          3.50    (#    832:20  Single Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1208,1211,1207,
 &end
#
#    0 AMB  20-2:833     79 ILE  HA          4.00    (#    833:20  Single Ambig)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1215,1214,
 &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    834:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 834, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    835:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 835, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLN  HA          103 PRO  HD3         4.00    (#    836:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 836, nxpk= 20, iat=1584,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 PRO  HA          103 PRO  HD3         5.00    (#    837:20  Unique         3.41, 3.41 A)
 &rst
  ixpk= 837, nxpk= 20, iat=1609,1601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:838      0 AMB  20-1:838    5.00    (#    838:20  Double Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1606,1024,
 igr2=1601,1018,
 &end
#
#    0 AMB  20-2:839    103 PRO  HD3         5.00    (#    839:20  Single Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:840    103 PRO  HD3         4.00    (#    840:20  Single Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1604,1607,
 &end
#
#    0 AMB  20-2:841    103 PRO  HD3         3.00    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1604,1603,
 &end
#
#    0 AMB  20-2:842     91 ILE  HA          6.00    (#    842:20  Single Ambig)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1387,1385,
 &end
#
#    0 AMB  20-2:843     91 ILE  HA          5.00    (#    843:20  Single Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1381,1389,
 &end
#
#    0 AMB  20-2:844     91 ILE  HA          6.00    (#    844:20  Single Ambig)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 422, 468, 272,
 &end
#
#   88 ALA  HA           91 ILE  HA          6.50    (#    845:20  Unique         5.13, 5.13 A)
 &rst
  ixpk= 845, nxpk= 20, iat=1355,1395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#    0 AMB  20-2:846     91 ILE  HA          6.00    (#    846:20  Single Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1377,1426,1425,1344,
 &end
#
#    0 AMB  20-2:847     91 ILE  HA          6.00    (#    847:20  Single Ambig)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1462,1426,1425,1341,1344,
 &end
#
#    0 AMB  20-2:848     91 ILE  HA          6.50    (#    848:20  Single Ambig #possspindiff)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 424,1341,1344,
 &end
#
#    0 AMB  20-2:849     91 ILE  HA          4.00    (#    849:20  Single Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1403,1455,
 &end
#
#    0 AMB  20-2:850     91 ILE  HA          5.00    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1456,1422, 496, 258,1423,1420,1419,
 &end
#
#    0 AMB  20-2:851     91 ILE  HA          5.00    (#    851:20  Single Ambig)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1458,1422, 258,1423,1420,1359,1419,1368,1357,
 &end
#
#    0 AMB  20-2:852     91 ILE  HA          5.00    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 502,1422,1482, 258,1423,1481,1483,
 &end
#
#    0 AMB  20-2:853     91 ILE  HA          4.00    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 507, 506,
 &end
#
#    0 AMB  20-2:854     91 ILE  HA          4.00    (#    854:20  Single Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1407,1406,1408, 258,
 &end
#
#    0 AMB  20-2:855     91 ILE  HA          4.00    (#    855:20  Single Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1400,1399,1401,
 &end
#
#    0 AMB  20-2:856     91 ILE  HA          5.00    (#    856:20  Single Ambig)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 475, 476, 477,
 &end
#
#    0 AMB  20-2:857     91 ILE  HA          6.00    (#    857:20  Single Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 500, 499, 498, 265,
 &end
#
#    0 AMB  20-2:858     91 ILE  HA          6.00    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1453,1338,
 &end
#
#    0 AMB  20-2:859     91 ILE  HA          6.00    (#    859:20  Single Ambig)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1375, 275,1477,
 &end
#
#    0 AMB  20-2:860     90 PHE  HB3         6.00    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1383,1385,
 &end
#
#    0 AMB  20-2:861     90 PHE  HB3         5.00    (#    861:20  Single Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1389,1381,
 &end
#
#    90 PHE  HA           90 PHE  HB3         5.00    (#    863:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1375,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:864     90 PHE  HB3         6.00    (#    864:20  Single Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 258,1397,1347,1341,1344,
 &end
#
#    0 AMB  20-2:865     90 PHE  HB3         6.00    (#    865:20  Single Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1368,1341,1369,1367,1358,
 &end
#
#    0 AMB  20-2:866     90 PHE  HB3         6.00    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1344,1442,
 &end
#
#    0 AMB  20-2:867     90 PHE  HB3         6.00    (#    867:20  Single Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 255,1341,1344,
 &end
#
#    0 AMB  20-2:868     90 PHE  HB3         5.00    (#    868:20  Single Ambig)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258,1406,1408,
 &end
#
#    0 AMB  20-2:869     90 PHE  HB3         5.00    (#    869:20  Single Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1330,1331,1332, 145, 144,1399,1400, 143,
 &end
#
#    0 AMB  20-2:870     90 PHE  HB3         6.00    (#    870:20  Single Ambig)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 477, 476, 475, 481, 479, 407, 409,
 &end
#
#    0 AMB  20-2:871     90 PHE  HB3         6.00    (#    871:20  Single Ambig)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 265, 266, 264,
 &end
#
#    0 AMB  20-2:872     90 PHE  HB3         5.00    (#    872:20  Single Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1231,1229,
 &end
#
#    0 AMB  20-2:873     90 PHE  HB3         6.00    (#    873:20  Single Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1233,1235,1234,
 &end
#
#    0 AMB  20-2:874     76 VAL  HA          6.00    (#    874:20  Single Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 955,1137,
 &end
#
#    0 AMB  20-2:875     76 VAL  HA          5.00    (#    875:20  Single Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 891, 347, 967, 953,
 &end
#
#    0 AMB  20-2:877     76 VAL  HA          6.00    (#    877:20  Single Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1142,1122,1072,
 &end
#
#    0 AMB  20-2:878     76 VAL  HA          6.00    (#    878:20  Single Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1072,
 &end
#
#   76 VAL  HB           76 VAL  HA          4.00    (#    879:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 879, nxpk= 20, iat=1156,1154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:880     76 VAL  HA          5.00    (#    880:20  Single Ambig)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1140,1122, 258,1072,1175,
 &end
#
#    0 AMB  20-2:881     76 VAL  HA          4.00    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1205,1211, 896,
 &end
#
#    0 AMB  20-2:882     76 VAL  HA          5.00    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1211, 896, 893,1122, 258,1072, 239,
 &end
#
#    0 AMB  20-2:883     76 VAL  HA          5.00    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 959, 957, 958,
 &end
#
#    0 AMB  20-2:884     76 VAL  HA          5.00    (#    884:20  Single Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 978, 416, 975, 414,1211, 896, 980, 415, 979, 974,
       976,
 &end
#
#    0 AMB  20-2:885     76 VAL  HA          4.00    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1159,1158,1160,
 &end
#
#    0 AMB  20-2:886     76 VAL  HA          4.00    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1214,1215,1216,1211,
 &end
#
#    0 AMB  20-2:887     76 VAL  HA          4.00    (#    887:20  Single Ambig)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1162,1163,1164,
 &end
#
#    0 AMB  20-2:888     76 VAL  HA          5.00    (#    888:20  Single Ambig)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1229,1231,1211,1230,
 &end
#
#    0 AMB  20-2:889     76 VAL  HA          6.00    (#    889:20  Single Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1234,1233,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    6.00    (#    890:20  Double Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 879, 354,
 igr2= 959, 958, 957,
 &end
#
#   63 THR  HB            0 AMB  20-1:891    3.00    (#    891:20  Single Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    3.00    (#    892:20  Double Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 953, 347,
 igr2= 958, 957, 959,
 &end
#
#   79 ILE  HA            0 AMB  20-1:893    6.50    (#    893:20  Single Ambig #releasedfrom5.5spindiff?0616upto6.5on622)
 &rst
  ixpk= 893, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 959, 958,
 &end
#
#   76 VAL  HA            0 AMB  20-1:894    5.00    (#    894:20  Single Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 959, 957, 958,
 &end
#
#   78 ASN  HB3           0 AMB  20-1:895    6.00    (#    895:20  Single Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:896      0 AMB  20-1:896    6.00    (#    896:20  Double Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1074, 881,1191,1075,
 igr2= 958, 959, 957,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    5.00    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 882,1074,1075,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    4.00    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1142,1072,1074,1071,
 igr2= 958, 957, 959,
 &end
#
#    0 AMB  20-2:899      0 AMB  20-1:899    4.00    (#    899:20  Double Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1072,1074,1071,
 igr2= 958, 957, 959,
 &end
#
#    0 AMB  20-2:900      0 AMB  20-1:900    4.00    (#    900:20  Double Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1139,1072,1074,1071,
 igr2= 958, 959, 957,
 &end
#
#    0 AMB  20-2:901      0 AMB  20-1:901    4.00    (#    901:20  Double Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 896,1140,1072,1074,1071,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:902      0 AMB  20-1:902    5.00    (#    902:20  Double Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1205, 972, 896,1211,1072, 935,1074,1071,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    5.00    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 978,1209, 979, 980,1207,1211, 243,1208, 416, 414,
      
 igr2= 957, 959, 958,
 &end
#
#    0 AMB  20-2:905      0 AMB  20-1:905    4.00    (#    905:20  Double Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1159,1160,1158, 896,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:906      0 AMB  20-1:906    5.00    (#    906:20  Double Ambig)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1214,1215,1216,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    5.00    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1162,1164,1163,
 igr2= 957, 959, 958,
 &end
#
#    0 AMB  20-2:917      0 AMB  20-1:917    5.00    (#    917:20  Double Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1385,1387,
 igr2= 976, 975, 974,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    6.00    (#    918:20  Double Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1381,1389,
 igr2= 976, 975, 974,
 &end
#
#    0 AMB  20-2:920      0 AMB  20-1:920    3.50    (#    920:20  Double Ambig #changed1001)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1120,1338, 891,
 igr2= 898, 899, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:921      0 AMB  20-1:921    5.00    (#    921:20  Single Ambig #changed1001)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 910,1222,1375,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    6.00    (#    922:20  Double Ambig #changed1001)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1203,1170,1263,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    76 VAL  HA           0 AMB  20-1:923    4.50    (#    923:20  Single Ambig #changed1001)
 &rst
  ixpk= 923, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:928      0 AMB  20-1:928    3.50    (#    928:20  Double Ambig #changed1001)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1216,1215,1214,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:929      0 AMB  20-1:929    4.00    (#    929:20  Double Ambig  #changed1001)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1162,1163,1164,
 igr2= 898, 899, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:930      0 AMB  20-1:930    5.00    (#    930:20  Double Ambig #changed1001)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1230,1229,1231,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:931      0 AMB  20-1:931    5.00    (#    931:20  Double Ambig #changed1001)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1233,1234,1235,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:932      0 AMB  20-1:932    6.00    (#    932:20  Double Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1385,1387,1383,
 igr2=1160,1158,1159,
 &end
#
#    0 AMB  20-2:933      0 AMB  20-1:933    6.00    (#    933:20  Double Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 354,1189,
 igr2=1160,1159,1158,
 &end
#
#    0 AMB  20-2:934      0 AMB  20-1:934    4.00    (#    934:20  Double Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 955,1137,
 igr2=1159,1158,1160,
 &end
#
#   76 VAL  HA            0 AMB  20-1:937    4.00    (#    937:20  Single Ambig)
 &rst
  ixpk= 937, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1159,1158,1160,
 &end
#
#    0 AMB  20-2:938      0 AMB  20-1:938    6.00    (#    938:20  Double Ambig)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1142,1344,
 igr2=1159,1158,1160,
 &end
#
#   76 VAL  HB            0 AMB  20-1:939    3.00    (#    939:20  Single Ambig)
 &rst
  ixpk= 939, nxpk= 20, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1158,1160,1159,
 &end
#
#    0 AMB  20-2:940      0 AMB  20-1:940    5.00    (#    940:20  Double Ambig)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 896,1205, 258, 972,
 igr2=1159,1158,1160,
 &end
#
#    0 AMB  20-2:941      0 AMB  20-1:941    5.00    (#    941:20  Double Ambig)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 896, 258, 893, 239,
 igr2=1159,1160,1158,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    4.00    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 959, 957, 958, 896, 258,
 igr2=1159,1160,1158,
 &end
#
#    0 AMB  20-2:943      0 AMB  20-1:943    4.00    (#    943:20  Double Ambig)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 409, 407, 408,1181, 481,1182, 477,
 igr2=1160,1158,1159,
 &end
#
#    0 AMB  20-2:944      0 AMB  20-1:944    4.00    (#    944:20  Double Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1164,1162,1163,
 igr2=1160,1159,1158,
 &end
#
#    0 AMB  20-2:945      0 AMB  20-1:945    6.00    (#    945:20  Double Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1235,1234,1233,
 igr2=1158,1160,1159,
 &end
#
#   98 TYR  HD2           0 AMB  20-1:946    6.00    (#    946:20  Single Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1549,1550,1548,
 &end
#
#   96 ALA  HA            0 AMB  20-1:948    4.00    (#    948:20  Single Ambig)
 &rst
  ixpk= 948, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1548,1550,1549,
 &end
#
#   99 VAL  HA            0 AMB  20-1:949    4.00    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:950      0 AMB  20-1:950    6.00    (#    950:20  Double Ambig)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1525,1425,
 igr2=1549,1550,1548,
 &end
#
#    0 AMB  20-2:951      0 AMB  20-1:951    6.00    (#    951:20  Double Ambig)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1526,1425,
 igr2=1549,1550,1548,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    6.00    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1606,1604,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:953      0 AMB  20-1:953    3.50    (#    953:20  Double Ambig)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1546,1606,
 igr2=1550,1548,1549,
 &end
#
#    0 AMB  20-2:954      0 AMB  20-1:954    5.00    (#    954:20  Double Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1606,1604,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:955      0 AMB  20-1:955    4.00    (#    955:20  Double Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1606,1483,1481,1482,
 igr2=1549,1548,1550,
 &end
#
#   52 ILE  HA            0 AMB  20-1:957    4.00    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 790, 789,
 &end
#
#    0 AMB  20-2:958      0 AMB  20-1:958    5.00    (#    958:20  Double Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 743,1265,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    5.00    (#    959:20  Double Ambig)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 770, 769,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:960      0 AMB  20-1:960    6.00    (#    960:20  Double Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1291, 810,1290, 811,
 igr2= 791, 789, 790,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    6.00    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 720,1291, 810,1290,
 igr2= 790, 789, 791,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    6.00    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 746,1291, 745,  73, 810,1290,  30, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    5.00    (#    963:20  Double Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 746,1291, 745, 810,1290, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    4.00    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 721, 746,1291, 745, 810, 749,1290, 718,   8, 811,
      
 igr2= 790, 789, 791,
 &end
#
#    0 AMB  20-2:965      0 AMB  20-1:965    6.00    (#    965:20  Double Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 746,1291, 745, 810, 749,1290,  71, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:966      0 AMB  20-1:966    3.00    (#    966:20  Double Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 780, 746,1291, 745, 810, 749,1290,
 igr2= 790, 789, 791,
 &end
#
#   52 ILE  HG12          0 AMB  20-1:967    3.00    (#    967:20  Single Ambig)
 &rst
  ixpk= 967, nxpk= 20, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 791, 790, 789,
 &end
#
#    0 AMB  20-2:968      0 AMB  20-1:968    5.00    (#    968:20  Double Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 746,1291, 745, 810, 749,1290, 811,
 igr2= 790, 791, 789,
 &end
#
#   52 ILE  HG13          0 AMB  20-1:969    3.50    (#    969:20  Single Ambig)
 &rst
  ixpk= 969, nxpk= 20, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 791, 789, 790,
 &end
#
#   59 ASP  HA            0 AMB  20-1:970    6.00    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1215,1216,1214,
 &end
#
#   56 ALA  HA            0 AMB  20-1:971    6.00    (#    971:20  Single Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1215,1216,1214,
 &end
#
#    0 AMB  20-2:972      0 AMB  20-1:972    4.00    (#    972:20  Double Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 955,1137,
 igr2=1215,1214,1216,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    4.00    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 891, 953,
 igr2=1215,1214,1216,
 &end
#
#   79 ILE  HA            0 AMB  20-1:974    4.00    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1215,1214,1216,
 &end
#
#   76 VAL  HA            0 AMB  20-1:975    4.00    (#    975:20  Single Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1214,1215,1216,
 &end
#
#    0 AMB  20-2:976      0 AMB  20-1:976    4.00    (#    976:20  Double Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 881,1191,
 igr2=1215,1216,1214,
 &end
#
#   59 ASP  HB3           0 AMB  20-1:977    4.00    (#    977:20  Single Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1215,1216,
 &end
#
#   75 GLN  HG2           0 AMB  20-1:978    5.50    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1214,1216,
 &end
#
#   75 GLN  HB2           0 AMB  20-1:980    5.00    (#    980:20  Single Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1216,1215,
 &end
#
#    0 AMB  20-2:981      0 AMB  20-1:981    5.00    (#    981:20  Double Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1140,
 igr2=1215,1214,1216,
 &end
#
#    0 AMB  20-2:982      0 AMB  20-1:982    3.00    (#    982:20  Double Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1211,1205,
 igr2=1216,1215,1214,
 &end
#
#   79 ILE  HG12          0 AMB  20-1:983    4.00    (#    983:20  Single Ambig)
 &rst
  ixpk= 983, nxpk= 20, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1216,1215,1214,
 &end
#
#   79 ILE  HG12          0 AMB  20-1:984    6.00    (#    984:20  Single Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1216,1215,1214,
 &end
#
#    0 AMB  20-2:985      0 AMB  20-1:985    5.00    (#    985:20  Double Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 959, 958,
 igr2=1216,1215,1214,
 &end
#
#    0 AMB  20-2:986      0 AMB  20-1:986    4.00    (#    986:20  Double Ambig)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1211,1212,
 igr2=1216,1214,1215,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    3.00    (#    987:20  Double Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1209,1211,1208,
 igr2=1215,1216,1214,
 &end
#
#   90 PHE  HE2           0 AMB  20-1:990    6.00    (#    990:20  Single Ambig)
 &rst
  ixpk= 990, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1348,1349,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:991    6.00    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:993      0 AMB  20-1:993    5.00    (#    993:20  Double Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 468, 422,
 igr2=1349,1347,1348,
 &end
#
#    0 AMB  20-2:995      0 AMB  20-1:995    3.20    (#    995:20  Single Ambig  #modified1015)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1241,1222,
 igr2=1348,1347,1349,
 &end
#
#   77 LEU  HA            0 AMB  20-1:996    4.00    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1348,1347,1349,
 &end
#
#   91 ILE  HA            0 AMB  20-1:997    6.00    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1349,1348,
 &end
#
#   87 MET  HG3           0 AMB  20-1:998    5.00    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:999      0 AMB  20-1:999    4.00    (#    999:20  Double Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1343,1344,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:1000     0 AMB  20-1:1000   3.00    (#   1000:20  Double Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1344,1341,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1001     0 AMB  20-1:1001   3.50    (#   1001:20  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 471,1175,1341,
 igr2=1349,1348,1347,
 &end
#
#    0 AMB  20-2:1002     0 AMB  20-1:1002   4.00    (#   1002:20  Double Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1175,1341, 258,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1003     0 AMB  20-1:1003   4.00    (#   1003:20  Double Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1175,1225,1341,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   4.00    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1179,1408,1178,1177,1175,1406,
 igr2=1348,1349,1347,
 &end
#
#    0 AMB  20-2:1005     0 AMB  20-1:1005   4.00    (#   1005:20  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 479,1183,1181, 481, 476, 477, 480,
 igr2=1347,1349,1348,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   4.00    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1230,1229,1231,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:1007     0 AMB  20-1:1007   4.00    (#   1007:20  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1233,1235,1234,
 igr2=1347,1348,1349,
 &end
#
#   83 ASN  HA           84 PRO  HD3         4.00    (#   1008:20  Unique         2.46, 2.46 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1010     0 AMB  20-1:1010   5.00    (#   1010:20  Double Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1296,1063,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1014     0 AMB  20-1:1014   6.00    (#   1014:20  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1277,1075,1092,1074,
 igr2=1288,1055,1019,
 &end
#
#    0 AMB  20-2:1015    84 PRO  HD3         6.00    (#   1015:20  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1291,1290,
 &end
#
#    0 AMB  20-2:1016     0 AMB  20-1:1016   4.00    (#   1016:20  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1291,1290,1060,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1017     0 AMB  20-1:1017   5.00    (#   1017:20  Double Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1291,1290,1024,
 igr2=1288,1019,
 &end
#
#    0 AMB  20-2:1018     0 AMB  20-1:1018   4.00    (#   1018:20  Double Ambig)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1022,1021,1291,1057,1290,
 igr2=1019,1018,1288,1055,
 &end
#
#    0 AMB  20-2:1019     0 AMB  20-1:1019   3.00    (#   1019:20  Double Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1291,1058,1294,1290,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1020    84 PRO  HD3         5.00    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1291,1290,
 &end
#
#    0 AMB  20-2:1030    98 TYR  HB2         4.00    (#   1030:20  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1538,1529,
 &end
#
#    0 AMB  20-2:1031    98 TYR  HB2         5.00    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1536,1531,
 &end
#
#   98 TYR  HA           98 TYR  HB2         4.00    (#   1032:20  Unique         2.97, 2.97 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           98 TYR  HB2         5.00    (#   1033:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1477,1525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1034    98 TYR  HB2         6.00    (#   1034:20  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 521, 494,
 &end
#
#    0 AMB  20-2:1035    98 TYR  HB2         6.00    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1546, 563, 516,
 &end
#
#    0 AMB  20-2:1036    98 TYR  HB2         6.00    (#   1036:20  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504, 496, 516,
 &end
#
#    0 AMB  20-2:1037    98 TYR  HB2         6.00    (#   1037:20  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1481, 502,1482,1506,1483, 516,
 &end
#
#    0 AMB  20-2:1038    98 TYR  HB2         5.00    (#   1038:20  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 571, 570, 569, 655, 654,
 &end
#
#    0 AMB  20-2:1039    98 TYR  HB2         6.00    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#    0 AMB  20-2:1040    94 ARG  HD2         5.00    (#   1040:20  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1383,1538,1385,
 &end
#
#   90 PHE  HD1          94 ARG  HD2         6.00    (#   1041:20  Unique         4.20, 4.20 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=1381,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HA           94 ARG  HD2         4.00    (#   1042:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1453,1461, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1043    94 ARG  HD2         5.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1455,
 &end
#
#    0 AMB  20-2:1044    94 ARG  HD2         6.00    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1504, 258,
 &end
#
#    0 AMB  20-2:1045    94 ARG  HD2         5.00    (#   1045:20  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 359,1456,1504,1503,
 &end
#
#    0 AMB  20-2:1046    94 ARG  HD2         5.00    (#   1046:20  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1458,1504,
 &end
#
#    0 AMB  20-2:1047    94 ARG  HD2         5.00    (#   1047:20  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1459,1504,
 &end
#
#    0 AMB  20-2:1048    94 ARG  HD2         5.00    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 256,1507, 258,
 &end
#
#    0 AMB  20-2:1049    94 ARG  HD2         5.00    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 366, 367, 365, 976,
 &end
#
#    0 AMB  20-2:1050    94 ARG  HD2         5.00    (#   1050:20  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 260, 500, 261, 262, 498,
 &end
#
#    0 AMB  20-2:1051    98 TYR  HB3         4.00    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1538,1529,
 &end
#
#    0 AMB  20-2:1052    98 TYR  HB3         6.00    (#   1052:20  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#   98 TYR  HA           98 TYR  HB3         4.00    (#   1053:20  Unique         2.64, 2.64 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1523,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           98 TYR  HB3         5.00    (#   1054:20  Unique         3.78, 3.78 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=1477,1526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1055    98 TYR  HB3         6.00    (#   1055:20  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1601, 521,
 &end
#
#    0 AMB  20-2:1056    98 TYR  HB3         6.00    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1504, 516,1481,1506,1606,1482,1604,1483,
 &end
#
#    0 AMB  20-2:1057    98 TYR  HB3         5.00    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 571, 569, 570, 655,
 &end
#
#    0 AMB  20-2:1058    98 TYR  HB3         6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 498, 500, 499,
 &end
#
#   78 ASN  HA           78 ASN  HB3         3.50    (#   1059:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=1189,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA           78 ASN  HB3         4.00    (#   1060:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ILE  HA           78 ASN  HB3         6.00    (#   1062:20  Unique         4.53, 4.53 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1203,1192, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1063    78 ASN  HB3         6.00    (#   1063:20  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1064    78 ASN  HB3         5.00    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1065    78 ASN  HB3         6.00    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1122,1139,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1066    78 ASN  HB3         6.00    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1122,1140,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1067    78 ASN  HB3         5.00    (#   1067:20  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1205,1122,1211,1125,1244,1123,1126,
 &end
#
#    0 AMB  20-2:1068    78 ASN  HB3         6.00    (#   1068:20  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1211,1123,1249,
 &end
#
#    0 AMB  20-2:1069    78 ASN  HB3         6.00    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1211,1208, 416,1209,1207, 414,
 &end
#
#    0 AMB  20-2:1070    78 ASN  HB3         6.00    (#   1070:20  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214,1211,1216,1215,
 &end
#
#   59 ASP  HA           59 ASP  HB2         4.00    (#   1071:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1071, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ALA  HA           59 ASP  HB2         4.00    (#   1072:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 1072, nxpk= 20, iat= 833, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1073    59 ASP  HB2         5.00    (#   1073:20  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 891, 862, 843,1266, 953,
 &end
#
#    0 AMB  20-2:1074    59 ASP  HB2         6.00    (#   1074:20  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 864, 894,
 &end
#
#    0 AMB  20-2:1075    59 ASP  HB2         5.00    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1211, 934,1205,
 &end
#
#    0 AMB  20-2:1076    59 ASP  HB2         6.00    (#   1076:20  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1211, 893, 934, 846,
 &end
#
#    0 AMB  20-2:1077    59 ASP  HB2         5.00    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1211, 837, 835, 934, 836,
 &end
#
#    0 AMB  20-2:1078    59 ASP  HB2         6.00    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:1079    59 ASP  HB2         5.00    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1208,1209,1207,
 &end
#
#    0 AMB  20-2:1080    59 ASP  HB2         4.00    (#   1080:20  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1215,1216,
 &end
#
#   78 ASN  HA           78 ASN  HB2         3.50    (#   1081:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA           78 ASN  HB2         4.00    (#   1082:20  Unique         3.69, 3.69 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ILE  HA           78 ASN  HB2         6.00    (#   1083:20  Unique         5.87, 5.87 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=1203,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1084    78 ASN  HB2         6.00    (#   1084:20  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1122,1125,1123,
 &end
#
#    0 AMB  20-2:1085    78 ASN  HB2         5.00    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1122,1125,1123,
 &end
#
#    0 AMB  20-2:1086    78 ASN  HB2         6.00    (#   1086:20  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1087    78 ASN  HB2         5.00    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1088    78 ASN  HB2         5.00    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122,1125,1123,1126,1205,1175,
 &end
#
#    0 AMB  20-2:1089    78 ASN  HB2         6.00    (#   1089:20  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#    0 AMB  20-2:1090    78 ASN  HB2         6.00    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1212,1175,1211,
 &end
#
#    0 AMB  20-2:1091    78 ASN  HB2         6.00    (#   1091:20  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1250,1175,1211,
 &end
#
#    0 AMB  20-2:1092    78 ASN  HB2         6.00    (#   1092:20  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 416, 414,1211, 415,1207,1208,
 &end
#
#    0 AMB  20-2:1093    78 ASN  HB2         6.00    (#   1093:20  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214,1211,1216,1215,
 &end
#
#   83 ASN  HA           83 ASN  HB3         5.00    (#   1094:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=1274,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1095    83 ASN  HB3         6.00    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1319,1266,1302,
 &end
#
#    0 AMB  20-2:1096    83 ASN  HB3         5.00    (#   1096:20  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287, 800,1266,1222,
 &end
#
#    0 AMB  20-2:1097    83 ASN  HB3         6.00    (#   1097:20  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1288,1266,
 &end
#
#    0 AMB  20-2:1098    83 ASN  HB3         4.00    (#   1098:20  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 780,1290, 139,
 &end
#
#    0 AMB  20-2:1099    83 ASN  HB3         5.50    (#   1099:20  Single Ambig #released5.0to5.5on1012)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1290, 189,1291,1341,
 &end
#
#    0 AMB  20-2:1100    83 ASN  HB3         6.00    (#   1100:20  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 836, 837,1290, 835,1291,1341,
 &end
#
#    0 AMB  20-2:1101    83 ASN  HB3         4.00    (#   1101:20  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 191, 144, 782, 784,1330,1331,1332, 193, 783, 145,
       143, 192, 124,
 &end
#
#    0 AMB  20-2:1104   101 ASN  HB3         6.00    (#   1104:20  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1523, 297,1560,
 &end
#
#    0 AMB  20-2:1105   101 ASN  HB3         6.00    (#   1105:20  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1563,1564,1504,1562,
 &end
#
#   59 ASP  HA           59 ASP  HB3         4.00    (#   1117:20  Unique         2.68, 2.68 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ALA  HA           59 ASP  HB3         5.00    (#   1118:20  Unique         3.54, 3.54 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 833, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1119    59 ASP  HB3         6.00    (#   1119:20  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 891, 862, 843,
 &end
#
#    0 AMB  20-2:1120    59 ASP  HB3         6.00    (#   1120:20  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 894, 864,
 &end
#
#   79 ILE  HG12         59 ASP  HB3         5.00    (#   1121:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=1211, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1122    59 ASP  HB3         5.00    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211, 893,
 &end
#
#    0 AMB  20-2:1123    59 ASP  HB3         5.00    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211, 934,
 &end
#
#    0 AMB  20-2:1124    59 ASP  HB3         6.00    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:1125    59 ASP  HB3         4.00    (#   1125:20  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1209,1208,
 &end
#
#    0 AMB  20-2:1126    59 ASP  HB3         4.00    (#   1126:20  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1216,1211,
 &end
#
#    0 AMB  20-2:1127    59 ASP  HB3         6.00    (#   1127:20  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 937, 938,1266,
 &end
#
#   83 ASN  HA           83 ASN  HB2         4.00    (#   1128:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1274,1276, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1129    83 ASN  HB2         6.00    (#   1129:20  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266,1319,1302,
 &end
#
#    0 AMB  20-2:1130    83 ASN  HB2         5.00    (#   1130:20  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1287, 800,1266,
 &end
#
#    0 AMB  20-2:1131    83 ASN  HB2         6.00    (#   1131:20  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1288,1266,
 &end
#
#    0 AMB  20-2:1132    83 ASN  HB2         5.00    (#   1132:20  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1322,1290,1291,
 &end
#
#    0 AMB  20-2:1133    83 ASN  HB2         4.00    (#   1133:20  Single Ambig #mod1012)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1290,1291, 189,1321,
 &end
#
#    0 AMB  20-2:1134    83 ASN  HB2         6.00    (#   1134:20  Single Ambig #mod1012)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 836,1290, 837,1291, 835, 837,
 &end
#
#    0 AMB  20-2:1135    83 ASN  HB2         4.00    (#   1135:20  Single Ambig #mod1012)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1326,1327,1328,1330,1331,1332, 782, 784, 783,
 &end
#
#    0 AMB  20-2:1144    76 VAL  HB          6.00    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1137, 955,1103,
 &end
#
#   76 VAL  HA           76 VAL  HB          6.00    (#   1146:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1147    76 VAL  HB          5.00    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1205, 258,1175,1122, 896, 972,1123,1344, 255,
 &end
#
#    0 AMB  20-2:1148    76 VAL  HB          5.00    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 411, 258,1175,1122, 896,1123,
 &end
#
#    0 AMB  20-2:1149    76 VAL  HB          5.00    (#   1149:20  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 959, 957, 958, 258,1175,
 &end
#
#    0 AMB  20-2:1150    76 VAL  HB          4.00    (#   1150:20  Single Ambig)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1158,1160,1159,
 &end
#
#    0 AMB  20-2:1151    76 VAL  HB          3.00    (#   1151:20  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 414, 416, 415,
 &end
#
#    0 AMB  20-2:1152    76 VAL  HB          5.00    (#   1152:20  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 409, 408, 407,1181,
 &end
#
#    0 AMB  20-2:1153    76 VAL  HB          4.00    (#   1153:20  Single Ambig)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1154    76 VAL  HB          6.00    (#   1154:20  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1155    60 LEU  HB3         6.00    (#   1155:20  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1231,1229,1230,1233,1234,1235,
 &end
#
#  102 GLN  HA          102 GLN  HB3         4.00    (#   1156:20  Unique         2.40, 2.40 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=1584,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 PRO  HD2         102 GLN  HB3         5.00    (#   1157:20  Unique         4.83, 4.83 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=1600,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD3         102 GLN  HB3         5.00    (#   1158:20  Unique         5.14, 5.14 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=1601,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1159   102 GLN  HB3         4.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1589,1590,
 &end
#
#    0 AMB  20-2:1162    64 LEU  HB2         4.00    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 967, 891,
 &end
#
#   61 LEU  HA           64 LEU  HB2         5.00    (#   1163:20  Unique         4.89, 4.89 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 910, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1164    64 LEU  HB2         5.00    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 972, 896,
 &end
#
#    0 AMB  20-2:1165    64 LEU  HB2         6.00    (#   1165:20  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 239, 896, 893,
 &end
#
#    0 AMB  20-2:1166    64 LEU  HB2         6.00    (#   1166:20  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1162, 261,1164, 262,1163,
 &end
#
#   88 ALA  HA           91 ILE  HB          5.00    (#   1167:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=1355,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 ILE  HA           91 ILE  HB          5.00    (#   1168:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1169    61 LEU  HB2         5.00    (#   1169:20  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 862,
 &end
#
#   61 LEU  HA           61 LEU  HB2         4.00    (#   1170:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 1170, nxpk= 20, iat= 910, 912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1171    80 LEU  HB2         6.00    (#   1171:20  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1338,1120,1266, 891,
 &end
#
#   80 LEU  HA           80 LEU  HB2         5.00    (#   1172:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=1222,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU  HA           80 LEU  HB2         5.00    (#   1173:20  Unique         1.84, 1.84 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=1170,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1174    80 LEU  HB2         5.00    (#   1174:20  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1344,1341,
 &end
#
#    0 AMB  20-2:1175    80 LEU  HB2         5.00    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1173,1175,1341, 258,1250,1247, 896,
 &end
#
#    0 AMB  20-2:1177    80 LEU  HB2         4.00    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1181,1183, 409,1182, 408, 481, 407, 479,
 &end
#
#   65 LYS  HA           65 LYS  HB3         5.00    (#   1178:20  Unique         2.63, 2.63 A)
 &rst
  ixpk= 1178, nxpk= 20, iat= 986, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1179    65 LYS  HB3         5.00    (#   1179:20  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 929,1018,
 &end
#
#    0 AMB  20-2:1180    65 LYS  HB3         5.00    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 998,
 &end
#
#   65 LYS  HG3          65 LYS  HB3         5.00    (#   1181:20  Unique         2.92, 2.92 A)
 &rst
  ixpk= 1181, nxpk= 20, iat= 992, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1182    65 LYS  HB3         5.00    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 241, 243, 242, 915, 917,
 &end
#
#    0 AMB  20-2:1183    52 ILE  HB          6.00    (#   1183:20  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 767,1263,
 &end
#
#   52 ILE  HA           52 ILE  HB          4.00    (#   1185:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 778, 780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1186    52 ILE  HB          5.00    (#   1186:20  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 800,1266, 769, 770,
 &end
#
#    0 AMB  20-2:1187    52 ILE  HB          6.00    (#   1187:20  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1290,1291, 810, 720, 811,1293,
 &end
#
#    0 AMB  20-2:1188    52 ILE  HB          5.00    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  73,1290,1291, 810, 811,
 &end
#
#    0 AMB  20-2:1189    52 ILE  HB          5.00    (#   1189:20  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1290,1291, 721,1294, 810, 811,
 &end
#
#   98 TYR  HD1          97 LYS  HD2         6.00    (#   1190:20  Unique         6.19, 6.19 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=1529,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 TYR  HE1          97 LYS  HD2         6.00    (#   1191:20  Unique         7.80, 7.80 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1531,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1192    97 LYS  HD2         6.00    (#   1192:20  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 297, 272,
 &end
#
#   97 LYS  HA           97 LYS  HD2         3.50    (#   1193:20  Unique         2.05, 2.05 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1194    97 LYS  HD2         5.00    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1512,1513,
 &end
#
#    0 AMB  20-2:1195    97 LYS  HD2         5.00    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1494,
 &end
#
#    0 AMB  20-2:1196    97 LYS  HD2         5.00    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1506,1504,
 &end
#
#   97 LYS  HG3          97 LYS  HD2         5.00    (#   1197:20  Unique         2.59, 2.59 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=1507,1509, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1198    94 ARG  HB3         6.00    (#   1198:20  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1538,1383,
 &end
#
#   94 ARG  HA           94 ARG  HB3         5.00    (#   1199:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1453,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1200    94 ARG  HB3         6.00    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1395, 513, 205,
 &end
#
#   94 ARG  HD2          94 ARG  HB3         6.00    (#   1201:20  Unique         3.11, 3.11 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=1461,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HD3          94 ARG  HB3         6.00    (#   1202:20  Unique         3.70, 3.70 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=1462,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HG3          94 ARG  HB3         5.00    (#   1203:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=1459,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1204    94 ARG  HB3         5.00    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 506, 507, 503, 505,
 &end
#
#    0 AMB  20-2:1205    94 ARG  HB3         6.00    (#   1205:20  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#   65 LYS  HA           65 LYS  HG2         5.00    (#   1206:20  Unique         2.14, 2.14 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 ARG  HA           65 LYS  HG2         6.00    (#   1207:20  Unique         5.31, 5.31 A)
 &rst
  ixpk= 1207, nxpk= 20, iat= 929, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1208    65 LYS  HG2         5.00    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 998,
 &end
#
#   65 LYS  HB2          65 LYS  HG2         4.00    (#   1209:20  Unique         2.91, 2.91 A)
 &rst
  ixpk= 1209, nxpk= 20, iat= 988, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1210    65 LYS  HG2         4.00    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 241, 242, 243,
 &end
#
#    0 AMB  20-2:1211    61 LEU  HB3         5.00    (#   1211:20  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 862, 843, 929,
 &end
#
#   61 LEU  HA           61 LEU  HB3         5.00    (#   1212:20  Unique         2.95, 2.95 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 910, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 LYS  HA           64 LEU  HB3         6.00    (#   1213:20  Unique         4.66, 4.66 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 986, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1214    64 LEU  HB3         6.00    (#   1214:20  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 234,1010,
 &end
#
#    0 AMB  20-2:1215    64 LEU  HB3         6.00    (#   1215:20  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 264,1162, 266,1164, 265,
 &end
#
#   78 ASN  HA           77 LEU  HB3         6.00    (#   1216:20  Unique         3.89, 3.89 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1217    77 LEU  HB3         5.00    (#   1217:20  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1103,1241,1222,1120,
 &end
#
#   77 LEU  HA           77 LEU  HB3         4.00    (#   1218:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=1170,1173, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1219    77 LEU  HB3         6.00    (#   1219:20  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1191,1125,1126,
 &end
#
#    0 AMB  20-2:1220    77 LEU  HB3         6.00    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#    0 AMB  20-2:1221    77 LEU  HB3         6.00    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#   82 SER  HB3          81 LYS  HG3         6.00    (#   1223:20  Unique         4.89, 4.89 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1266,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1225    97 LYS  HG2         6.00    (#   1225:20  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1529,1538,1383,
 &end
#
#    0 AMB  20-2:1226    97 LYS  HG2         6.00    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:1227    97 LYS  HG2         5.00    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 272,
 &end
#
#   80 LEU  HA           80 LEU  HB3         5.00    (#   1229:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=1222,1225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU  HA           80 LEU  HB3         6.00    (#   1230:20  Unique         3.15, 3.15 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=1170,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 MET  HG3          80 LEU  HB3         6.00    (#   1231:20  Unique         2.33, 2.33 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=1344,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1232    80 LEU  HB3         5.00    (#   1232:20  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1344,1341,1348,
 &end
#
#    0 AMB  20-2:1233    80 LEU  HB3         6.00    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1178,1179,1177, 258,
 &end
#
#    0 AMB  20-2:1234    80 LEU  HB3         5.00    (#   1234:20  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1181,1183, 409,1182, 481, 479, 408, 477, 407,
 &end
#
#    0 AMB  20-2:1235    80 LEU  HB3         5.00    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1236    80 LEU  HB3         5.00    (#   1236:20  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1237    97 LYS  HG3         6.00    (#   1237:20  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#    0 AMB  20-2:1238    97 LYS  HG3         6.00    (#   1238:20  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:1239    97 LYS  HG3         6.00    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 297, 272,
 &end
#
#    0 AMB  20-2:1240    91 ILE  HG13        6.00    (#   1240:20  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1385,1383,
 &end
#
#   90 PHE  HD2          91 ILE  HG13        6.00    (#   1241:20  Unique         3.24, 3.24 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=1389,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 ALA  HA           91 ILE  HG13        6.00    (#   1242:20  Unique         3.56, 3.56 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1355,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1243    91 ILE  HG13        6.00    (#   1243:20  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1343,1341,1344,
 &end
#
#    0 AMB  20-2:1245    91 ILE  HG13        6.00    (#   1245:20  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1341,1344, 258,1422,1423, 496,
 &end
#
#    0 AMB  20-2:1246    91 ILE  HG13        6.00    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 471,1341, 258,1422,
 &end
#
#    0 AMB  20-2:1247    91 ILE  HG13        6.00    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 476, 477, 475,
 &end
#
#    0 AMB  20-2:1249    79 ILE  HG13        6.00    (#   1249:20  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 833,1266,
 &end
#
#    0 AMB  20-2:1250    79 ILE  HG13        6.00    (#   1250:20  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 891,1266,
 &end
#
#    0 AMB  20-2:1251    79 ILE  HG13        6.00    (#   1251:20  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1154,1266,
 &end
#
#   78 ASN  HB3          79 ILE  HG13        6.00    (#   1252:20  Unique         3.12, 3.12 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1192,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1253    79 ILE  HG13        5.00    (#   1253:20  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1191, 881,
 &end
#
#   59 ASP  HB3          79 ILE  HG13        6.00    (#   1254:20  Unique         4.08, 4.08 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 882,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1259     0 AMB  20-1:1259   6.00    (#   1259:20  Double Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1175,1327,1328,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1260   6.00    (#   1260:20  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1327,1328,1175,1326,
 &end
#
#    0 AMB  20-2:1261     0 AMB  20-1:1261   6.00    (#   1261:20  Double Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1319,1266,
 igr2=1327,1326,1328,
 &end
#
#    0 AMB  20-2:1262     0 AMB  20-1:1262   5.00    (#   1262:20  Double Ambig)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1222, 910,
 igr2=1327,1328, 915,1326,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   6.00    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 998,1344, 997,1377,
 igr2= 915,1327,1328,1326,
 &end
#
#    0 AMB  20-2:1264     0 AMB  20-1:1264   6.00    (#   1264:20  Double Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1225, 896,1341, 258,
 igr2=1327,1328,1326,1175,
 &end
#
#    0 AMB  20-2:1265     0 AMB  20-1:1265   5.00    (#   1265:20  Double Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 262, 261,1211, 260,
 igr2=1328,1327,
 &end
#
#    0 AMB  20-2:1266     0 AMB  20-1:1266   5.00    (#   1266:20  Double Ambig)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1229,1230,1231,
 igr2=1175,1327,1328,1326,
 &end
#
#    0 AMB  20-2:1267     0 AMB  20-1:1267   6.00    (#   1267:20  Double Ambig)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1234,1233,
 igr2=1327,1328,1326,
 &end
#
#    0 AMB  20-2:1268     0 AMB  20-1:1268   6.00    (#   1268:20  Double Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1408,1406,1407,
 &end
#
#    0 AMB  20-2:1269     0 AMB  20-1:1269   5.00    (#   1269:20  Double Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1389,1381,
 igr2=1408,1406,1407,
 &end
#
#    0 AMB  20-2:1270     0 AMB  20-1:1270   5.00    (#   1270:20  Double Ambig)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 468,1302,
 igr2=1408,1407,1406,
 &end
#
#   91 ILE  HA            0 AMB  20-1:1271   4.00    (#   1271:20  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1407,1406,1408,
 &end
#
#   90 PHE  HB3           0 AMB  20-1:1272   6.00    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1406,1408,1407,
 &end
#
#    0 AMB  20-2:1273     0 AMB  20-1:1273   6.00    (#   1273:20  Double Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1341,1343,1344,1426,
 igr2=1406,1408,1407,
 &end
#
#   80 LEU  HD21          0 AMB  20-1:1274   6.00    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1406,1408,
 &end
#
#    0 AMB  20-2:1275    84 PRO  HD3         6.00    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 784, 782, 783,
 &end
#
#   65 LYS  HA            0 AMB  20-1:1276   6.00    (#   1276:20  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 997, 998,
 &end
#
#   62 ARG  HA            0 AMB  20-1:1277   6.00    (#   1277:20  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1278     0 AMB  20-1:1278   6.00    (#   1278:20  Double Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 988, 915,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1279     0 AMB  20-1:1279   6.00    (#   1279:20  Double Ambig)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 994, 995,
 igr2= 998, 997,
 &end
#
#    0 AMB  20-2:1280     0 AMB  20-1:1280   6.00    (#   1280:20  Double Ambig)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 992, 915,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1281     0 AMB  20-1:1281   6.00    (#   1281:20  Double Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 915, 242, 243, 241, 917, 919,
 igr2= 998, 997,
 &end
#
#   98 TYR  HD1           0 AMB  20-1:1282   6.00    (#   1282:20  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#   98 TYR  HE1           0 AMB  20-1:1283   6.00    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#   97 LYS  HA            0 AMB  20-1:1286   6.00    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#    0 AMB  20-2:1287     0 AMB  20-1:1287   6.00    (#   1287:20  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1589,1590,
 igr2=1512,1513,
 &end
#
#    0 AMB  20-2:1288     0 AMB  20-1:1288   6.00    (#   1288:20  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 301,1506, 302, 303,1504,
 igr2=1513,1512,
 &end
#
#   97 LYS  HG3           0 AMB  20-1:1289   6.00    (#   1289:20  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 20, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#  103 PRO  HA          103 PRO  HB2         6.00    (#   1290:20  Unique         2.73, 2.73 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1609,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 ALA  HA          103 PRO  HB2         6.50    (#   1291:20  Unique         6.30, 6.30 A#releaseto6.5on0924)
 &rst
  ixpk= 1291, nxpk= 20, iat=1560,1606, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  103 PRO  HG2         103 PRO  HB2         6.00    (#   1292:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=1603,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB3         103 PRO  HB2         6.00    (#   1293:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=1607,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1299   103 PRO  HB2         6.00    (#   1299:20  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1549,1548,1552,1550,1554,
 &end
#
#    0 AMB  20-2:1300   103 PRO  HB2         6.00    (#   1300:20  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1549,1548,1552,1550,1554,
 &end
#
#   98 TYR  HD1           0 AMB  20-1:1304   6.00    (#   1304:20  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 20, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1590,1589,
 &end
#
#    0 AMB  20-2:1305    91 ILE  HB          6.00    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1389,1381,
 &end
#
#    0 AMB  20-2:1306    91 ILE  HB          6.00    (#   1306:20  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 476, 475, 477, 479,
 &end
#
#    0 AMB  20-2:1307    79 ILE  HB          6.00    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 891,1266,
 &end
#
#   79 ILE  HA           79 ILE  HB          6.00    (#   1308:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1203,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           79 ILE  HB          6.00    (#   1309:20  Unique         3.08, 3.08 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=1154,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1310    79 ILE  HB          6.00    (#   1310:20  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881,1191,
 &end
#
#   59 ASP  HB3          79 ILE  HB          6.00    (#   1311:20  Unique         4.68, 4.68 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 882,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1312    79 ILE  HB          6.00    (#   1312:20  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 894,1156,1122,
 &end
#
#    0 AMB  20-2:1313    79 ILE  HB          6.00    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211, 893,
 &end
#
#    0 AMB  20-2:1314    79 ILE  HB          6.00    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 266,1162,
 &end
#
#    0 AMB  20-2:1315    79 ILE  HB          6.00    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1229,
 &end
#
#    0 AMB  20-2:1316    80 LEU  HB2         6.00    (#   1316:20  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 266, 265, 264,1164,1163,1211,
 &end
#
#    0 AMB  20-2:1317    80 LEU  HB2         6.00    (#   1317:20  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1344,1348,1347,1175,1341, 258,1243,1349,
 &end
#
#    0 AMB  20-2:1318    80 LEU  HG          6.00    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 891, 253, 184,1266,1120,
 &end
#
#   80 LEU  HA           80 LEU  HG          6.00    (#   1319:20  Unique         2.55, 2.55 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1320    80 LEU  HG          6.00    (#   1320:20  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1170,1203,
 &end
#
#    0 AMB  20-2:1321    80 LEU  HG          6.00    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1225, 258, 896,
 &end
#
#    0 AMB  20-2:1322    80 LEU  HG          6.00    (#   1322:20  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 258, 896,1178, 414, 975,1177, 976, 416,1179,1211,
      
 &end
#
#    0 AMB  20-2:1323    80 LEU  HG          6.00    (#   1323:20  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 409,1181, 408, 407, 481,1182,1211,1183,
 &end
#
#    0 AMB  20-2:1324    80 LEU  HG          6.00    (#   1324:20  Single Ambig)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 265,
 &end
#
#   78 ASN  HA           81 LYS  HD2         6.00    (#   1325:20  Unique         4.11, 4.11 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=1189,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1326    81 LYS  HD2         6.00    (#   1326:20  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1241,1266,
 &end
#
#    0 AMB  20-2:1327    81 LYS  HD2         6.00    (#   1327:20  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1170,
 &end
#
#   87 MET  HG3          81 LYS  HD2         6.50    (#   1328:20  Unique         7.70, 7.70 A =>released6.0to6.5on1009)
 &rst
  ixpk= 1328, nxpk= 20, iat=1344,1249, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   81 LYS  HB2          81 LYS  HD2         6.00    (#   1329:20  Unique         2.66, 2.66 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=1243,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 LYS  HB3          81 LYS  HD2         6.00    (#   1330:20  Unique         2.87, 2.87 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1332    64 LEU  HB3         6.00    (#   1332:20  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 957, 959, 958, 915,
 &end
#
#   15 THR  HB            0 AMB  20-1:1333   6.00    (#   1333:20  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 917, 918,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 136, 117,
 igr2= 918, 919, 917,
 &end
#
#   61 LEU  HA            0 AMB  20-1:1335   6.00    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 917, 918,
 &end
#
#   12 GLN  HB2           0 AMB  20-1:1336   6.00    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:1338     0 AMB  20-1:1338   6.00    (#   1338:20  Double Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 915, 913,
 igr2= 919, 917, 918,
 &end
#
#   61 LEU  HG            0 AMB  20-1:1339   6.00    (#   1339:20  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 917, 918,
 &end
#
#    0 AMB  20-2:1340     0 AMB  20-1:1340   6.00    (#   1340:20  Double Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 997, 998,
 igr2= 917, 919, 918,
 &end
#
#   12 GLN  HG2           0 AMB  20-1:1341   6.00    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 918, 917,
 &end
#
#    0 AMB  20-2:1342     0 AMB  20-1:1342   6.00    (#   1342:20  Double Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1383,1385,1387,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1343     0 AMB  20-1:1343   6.00    (#   1343:20  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1381,1389,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1344     0 AMB  20-1:1344   6.00    (#   1344:20  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 955, 234,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  20-2:1345     0 AMB  20-1:1345   6.00    (#   1345:20  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 910,1375,1222, 275,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1346     0 AMB  20-1:1346   6.00    (#   1346:20  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 894,1156, 405,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1347     0 AMB  20-1:1347   6.00    (#   1347:20  Double Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 969, 896,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  20-2:1348     0 AMB  20-1:1348   6.00    (#   1348:20  Double Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 972, 896, 255, 258,
 igr2= 979, 980, 978,
 &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   6.00    (#   1349:20  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 239, 896,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1350     0 AMB  20-1:1350   6.00    (#   1350:20  Double Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 970, 896, 258,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1351     0 AMB  20-1:1351   6.00    (#   1351:20  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 896, 258, 957, 959,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1352     0 AMB  20-1:1352   6.00    (#   1352:20  Double Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1231,1229,1230,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1353     0 AMB  20-1:1353   6.00    (#   1353:20  Double Ambig)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 261, 262,
 igr2= 980, 978,
 &end
#
#    0 AMB  20-2:1354     0 AMB  20-1:1354   6.00    (#   1354:20  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1235,1234,1233,
 igr2= 980, 978, 979,
 &end
#
#   54 PRO  HA            0 AMB  20-1:1355   6.00    (#   1355:20  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 855, 854,
 &end
#
#    0 AMB  20-2:1357     0 AMB  20-1:1357   6.00    (#   1357:20  Double Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 811, 864, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1358     0 AMB  20-1:1358   6.00    (#   1358:20  Double Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 811, 122, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1359     0 AMB  20-1:1359   6.00    (#   1359:20  Double Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 811, 122, 119, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1360     0 AMB  20-1:1360   6.00    (#   1360:20  Double Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 120, 811, 122, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1361     0 AMB  20-1:1361   6.00    (#   1361:20  Double Ambig)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1385,1387,1383,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1363     0 AMB  20-1:1363   6.00    (#   1363:20  Double Ambig)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 955,1137,1103,1086,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  20-2:1364     0 AMB  20-1:1364   6.00    (#   1364:20  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 347, 967,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1365     0 AMB  20-1:1365   6.00    (#   1365:20  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1103,1086,
 igr2=1163,1164,1162,
 &end
#
#    0 AMB  20-2:1366     0 AMB  20-1:1366   6.00    (#   1366:20  Double Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 403,1103,1086,
 igr2=1163,1164,1162,
 &end
#
#    0 AMB  20-2:1367     0 AMB  20-1:1367   6.00    (#   1367:20  Double Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1072,1172,1227, 258, 896,1071, 356,1122,1224,1074,
      1123, 255,
 igr2=1163,1162,1164,
 &end
#
#    0 AMB  20-2:1368     0 AMB  20-1:1368   6.00    (#   1368:20  Double Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
 igr1=1072, 258, 896,1071, 239,1122,1123,
 igr2=1163,1162,1164,
 &end
#
#    0 AMB  20-2:1369     0 AMB  20-1:1369   6.00    (#   1369:20  Double Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 957, 959, 958,
 igr2=1162,1164,1163,
 &end
#
#   28 ILE  HG13          0 AMB  20-1:1370   6.00    (#   1370:20  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1164,1163,
 &end
#
#    0 AMB  20-2:1371     0 AMB  20-1:1371   6.00    (#   1371:20  Double Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 409, 408, 407,1182,1181, 481,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1372     0 AMB  20-1:1372   6.00    (#   1372:20  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1231,1229,1230,
 igr2=1164,1163,1162,
 &end
#
#   80 LEU  HD23          0 AMB  20-1:1373   6.00    (#   1373:20  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1164,1162,1163,
 &end
#
#    0 AMB  20-2:1374     0 AMB  20-1:1374   6.00    (#   1374:20  Double Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1230,1231,1229,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1375   6.00    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   6.00    (#   1376:20  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 354,1189,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1378     0 AMB  20-1:1378   6.00    (#   1378:20  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 253,1120, 348, 891,
 igr2=1231,1229,1230,
 &end
#
#   77 LEU  HA            0 AMB  20-1:1379   6.00    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   6.00    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 206,1378,
 igr2=1231,1230,1229,
 &end
#
#   76 VAL  HA            0 AMB  20-1:1381   6.00    (#   1381:20  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1229,1231,1230,
 &end
#
#    0 AMB  20-2:1382     0 AMB  20-1:1382   6.00    (#   1382:20  Double Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1377,
 igr2=1230,1231,1229,
 &end
#
#   87 MET  HG3           0 AMB  20-1:1383   6.00    (#   1383:20  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1384     0 AMB  20-1:1384   6.00    (#   1384:20  Double Ambig)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1344,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1385     0 AMB  20-1:1385   6.00    (#   1385:20  Double Ambig)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1341,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1386     0 AMB  20-1:1386   6.00    (#   1386:20  Double Ambig)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 258,1341,1175,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   6.00    (#   1387:20  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 258,1173,1341,1175,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1388     0 AMB  20-1:1388   6.00    (#   1388:20  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1225,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1389     0 AMB  20-1:1389   6.00    (#   1389:20  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1158, 258,1160,1159,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1390     0 AMB  20-1:1390   6.00    (#   1390:20  Double Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1181,1182,1183,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1391     0 AMB  20-1:1391   6.00    (#   1391:20  Double Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 266, 265, 264,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1392     0 AMB  20-1:1392   6.00    (#   1392:20  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1387,1385,1383,
 igr2=1233,1235,1234,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1393   6.00    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1394     0 AMB  20-1:1394   6.00    (#   1394:20  Double Ambig)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 253, 184, 891,1266, 136,
 igr2=1235,1234,1233,
 &end
#
#   80 LEU  HA            0 AMB  20-1:1395   6.00    (#   1395:20  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1234,1233,
 &end
#
#    0 AMB  20-2:1396     0 AMB  20-1:1396   6.00    (#   1396:20  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1170,1203,1266,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1397     0 AMB  20-1:1397   6.00    (#   1397:20  Double Ambig)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 206,1378,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1398     0 AMB  20-1:1398   6.00    (#   1398:20  Double Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1377,1344,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1399     0 AMB  20-1:1399   6.00    (#   1399:20  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1343,1344,1341,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1400     0 AMB  20-1:1400   6.00    (#   1400:20  Double Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1341,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1401     0 AMB  20-1:1401   6.00    (#   1401:20  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1344,1341,1156, 894,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1402     0 AMB  20-1:1402   6.00    (#   1402:20  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 258,1344,1341,1347, 896,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1403     0 AMB  20-1:1403   6.00    (#   1403:20  Double Ambig)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1341,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1404     0 AMB  20-1:1404   6.00    (#   1404:20  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1225, 258,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   6.00    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1330, 258,1332,1331,
 igr2=1234,1235,1233,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   6.00    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1181, 409, 477, 481, 476, 479,1183, 407, 408,1182,
       475, 480,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1407     0 AMB  20-1:1407   6.00    (#   1407:20  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 265,
 igr2=1235,1234,
 &end
#
#   90 PHE  HE1          94 ARG  HD3         6.00    (#   1408:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1383,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 PHE  HD1          94 ARG  HD3         6.00    (#   1409:20  Unique         3.96, 3.96 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1381,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 LEU  HA           94 ARG  HD3         6.00    (#   1410:20  Unique         3.15, 3.15 A)
 &rst
  ixpk= 1410, nxpk= 20, iat= 354,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 SER  HA           94 ARG  HD3         6.00    (#   1411:20  Unique         3.18, 3.18 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 272,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1413    94 ARG  HD3         6.00    (#   1413:20  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1455,1504, 258,
 &end
#
#    0 AMB  20-2:1414    94 ARG  HD3         6.00    (#   1414:20  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 256, 258,1507,
 &end
#
#    0 AMB  20-2:1415    94 ARG  HD3         6.00    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 475, 477, 407, 409, 476,
 &end
#
#    0 AMB  20-2:1416    94 ARG  HD3         6.00    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 500, 264, 266, 265,
 &end
#
#    0 AMB  20-2:1417    94 ARG  HD3         6.00    (#   1417:20  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 366, 367, 365, 976, 258, 974,
 &end
#
#    0 AMB  20-2:1418    94 ARG  HD3         6.00    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 260, 261, 262,
 &end
#
#   83 ASN  HA            0 AMB  20-1:1419   6.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1293,1341,
 &end
#
#    0 AMB  20-2:1420     0 AMB  20-1:1420   6.00    (#   1420:20  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 715,1302,
 igr2= 720,1293,1341,
 &end
#
#    0 AMB  20-2:1421    48 PRO  HB2         6.00    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 715,
 &end
#
#    0 AMB  20-2:1422    84 PRO  HB2         6.00    (#   1422:20  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   6.00    (#   1423:20  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55,
 igr1=1181,1183, 479, 481,1182, 790, 476, 477, 789, 480,
       409, 408, 407,
 igr2=1344, 720,1341,
 &end
#
#    0 AMB  20-2:1424    90 PHE  HB2         6.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 253, 184,1453, 136,
 &end
#
#   90 PHE  HA           90 PHE  HB2         6.00    (#   1425:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1427    90 PHE  HB2         6.00    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1330,1331,1332, 145, 980, 143,
 &end
#
#    0 AMB  20-2:1428    90 PHE  HB2         6.00    (#   1428:20  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 265, 266, 264,
 &end
#
#    0 AMB  20-2:1429    90 PHE  HB2         6.00    (#   1429:20  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1430    90 PHE  HB2         6.00    (#   1430:20  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#   90 PHE  HE1          94 ARG  HG2         6.00    (#   1431:20  Unique         2.34, 2.34 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=1383,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 PHE  HD1          94 ARG  HG2         6.00    (#   1432:20  Unique         2.13, 2.13 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=1381,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HA           94 ARG  HG2         6.00    (#   1433:20  Unique         2.81, 2.81 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=1453,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HD2          94 ARG  HG2         6.00    (#   1434:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=1461,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1435    94 ARG  HG2         6.00    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 506, 507, 258, 505, 503,
 &end
#
#    0 AMB  20-2:1436    94 ARG  HG2         6.00    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 258, 366, 367, 976, 365,
 &end
#
#    0 AMB  20-2:1437    94 ARG  HG2         6.00    (#   1437:20  Single Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 260, 261, 500, 262, 498,
 &end
#
#    0 AMB  20-2:1440    19 ASN  HA          5.00    (#   1440:20 singleambig0620)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 272,
 &end
#
#    0 AMB  20-2:1442     0 AMB  20-1:1442   5.00    (#   1442:20 DoublEAMBIG0620  )
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 236, 237, 356, 357,
 igr2= 301, 302, 303, 224, 225, 226,
 &end
#
#    0 AMB  20-2:1443     0 AMB  20-1:1443   6.00    (#   1443:20 DoublEAMBIG0620releasednostereoadded0620     )
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 241, 242, 243, 245, 246, 247, 361, 362, 363, 365,
       366, 367, 974, 975, 976, 978, 979, 980,
 &end
#
#    0 AMB  20-2:1445     0 AMB  20-1:1445   6.00    (#   1445:20 DoublEAMBIG0620releasednostereoAdded0620)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 272, 297, 323,
 &end
#
#    0 AMB  20-2:1446    29 ASP  HB2         5.00    (#   1446:20 Single Ambig0919)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1529,1538,1385,1383,1387,
 &end
#
#  trans-omega constraint for residue 2
 &rst iat=20,18,16,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=27,25,23,20, &end
#
#  trans-omega constraint for residue 4
 &rst iat=44,42,40,27, &end
#
#  trans-omega constraint for residue 5
 &rst iat=55,53,51,44, &end
#
#  trans-omega constraint for residue 6
 &rst iat=67,65,63,55, &end
#
#  trans-omega constraint for residue 7
 &rst iat=82,80,78,67, &end
#
#  trans-omega constraint for residue 8
 &rst iat=106,104,102,82, &end
#
#  trans-omega constraint for residue 9
 &rst iat=116,114,112,106, &end
#
#  trans-omega constraint for residue 10
 &rst iat=135,133,131,116, &end
#
#  trans-omega constraint for residue 11
 &rst iat=154,152,150,135, &end
#
#  trans-omega constraint for residue 12
 &rst iat=166,164,162,154, &end
#
#  trans-omega constraint for residue 13
 &rst iat=183,181,179,166, &end
#
#  trans-omega constraint for residue 14
 &rst iat=202,200,198,183, &end
#
#  trans-omega constraint for residue 15
 &rst iat=219,217,215,202, &end
#
#  trans-omega constraint for residue 16
 &rst iat=233,231,229,219, &end
#
#  trans-omega constraint for residue 17
 &rst iat=252,250,248,233, &end
#
#  trans-omega constraint for residue 18
 &rst iat=271,269,267,252, &end
#
#  trans-omega constraint for residue 19
 &rst iat=282,280,278,271, &end
#
#  trans-omega constraint for residue 20
 &rst iat=296,294,292,282, &end
#
#  trans-omega constraint for residue 21
 &rst iat=310,308,306,296, &end
#
#  trans-omega constraint for residue 22
 &rst iat=322,320,318,310, &end
#
#  trans-omega constraint for residue 23
 &rst iat=332,330,328,322, &end
#
#  trans-omega constraint for residue 24
 &rst iat=346,344,342,332, &end
#
#  trans-omega constraint for residue 25
 &rst iat=353,351,349,346, &end
#
#  trans-omega constraint for residue 26
 &rst iat=372,370,368,353, &end
#
#  trans-omega constraint for residue 27
 &rst iat=387,385,383,372, &end
#
#  trans-omega constraint for residue 28
 &rst iat=402,400,398,387, &end
#
#  trans-omega constraint for residue 29
 &rst iat=421,419,417,402, &end
#
#  trans-omega constraint for residue 30
 &rst iat=433,431,429,421, &end
#
#  trans-omega constraint for residue 31
 &rst iat=457,455,453,433, &end
#
#  trans-omega constraint for residue 32
 &rst iat=467,465,463,457, &end
#
#  trans-omega constraint for residue 33
 &rst iat=486,484,482,467, &end
#
#  trans-omega constraint for residue 34
 &rst iat=493,491,489,486, &end
#
#  trans-omega constraint for residue 35
 &rst iat=520,510,508,493, &end
#
#  trans-omega constraint for residue 36
 &rst iat=526,524,522,520, &end
#
#  trans-omega constraint for residue 37
 &rst iat=541,539,537,526, &end
#
#  trans-omega constraint for residue 38
 &rst iat=560,558,556,541, &end
#
#  trans-omega constraint for residue 39
 &rst iat=576,574,572,560, &end
#
#  trans-omega constraint for residue 40
 &rst iat=590,588,586,576, &end
#
#  trans-omega constraint for residue 41
 &rst iat=607,605,603,590, &end
#
#  trans-omega constraint for residue 42
 &rst iat=614,612,610,607, &end
#
#  trans-omega constraint for residue 43
 &rst iat=631,629,627,614, &end
#
#  trans-omega constraint for residue 44
 &rst iat=641,639,637,631, &end
#
#  trans-omega constraint for residue 45
 &rst iat=660,658,656,641, &end
#
#  trans-omega constraint for residue 46
 &rst iat=683,673,671,660, &end
#
#  trans-omega constraint for residue 47
 &rst iat=689,687,685,683, &end
#
#  trans-omega constraint for residue 49
 &rst iat=728,726,724,722, &end
#
#  trans-omega constraint for residue 50
 &rst iat=742,740,738,728, &end
#
#  trans-omega constraint for residue 51
 &rst iat=766,764,762,742, &end
#
#  trans-omega constraint for residue 52
 &rst iat=777,775,773,766, &end
#
#  trans-omega constraint for residue 53
 &rst iat=796,794,792,777, &end
#
#  trans-omega constraint for residue 54
 &rst iat=815,805,803,796, &end
#
#  trans-omega constraint for residue 55
 &rst iat=821,819,817,815, &end
#
#  trans-omega constraint for residue 56
 &rst iat=832,830,828,821, &end
#
#  trans-omega constraint for residue 57
 &rst iat=842,840,838,832, &end
#
#  trans-omega constraint for residue 58
 &rst iat=861,859,857,842, &end
#
#  trans-omega constraint for residue 59
 &rst iat=878,876,874,861, &end
#
#  trans-omega constraint for residue 60
 &rst iat=890,888,886,878, &end
#
#  trans-omega constraint for residue 61
 &rst iat=909,907,905,890, &end
#
#  trans-omega constraint for residue 62
 &rst iat=928,926,924,909, &end
#
#  trans-omega constraint for residue 63
 &rst iat=952,950,948,928, &end
#
#  trans-omega constraint for residue 64
 &rst iat=966,964,962,952, &end
#
#  trans-omega constraint for residue 65
 &rst iat=985,983,981,966, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1007,1005,1003,985, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1026,1016,1014,1007, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1032,1030,1028,1026, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1043,1041,1039,1032, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1062,1052,1050,1043, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1068,1066,1064,1062, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1085,1083,1081,1068, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1102,1100,1098,1085, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1119,1117,1115,1102, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1136,1134,1132,1119, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1153,1151,1149,1136, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1169,1167,1165,1153, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1188,1186,1184,1169, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1202,1200,1198,1188, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1221,1219,1217,1202, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1240,1238,1236,1221, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1262,1260,1258,1240, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1273,1271,1269,1262, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1295,1285,1283,1273, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1301,1299,1297,1295, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1318,1316,1314,1301, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1337,1335,1333,1318, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1354,1352,1350,1337, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1364,1362,1360,1354, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1374,1372,1370,1364, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1394,1392,1390,1374, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1413,1411,1409,1394, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1435,1433,1431,1413, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1452,1450,1448,1435, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1476,1474,1472,1452, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1490,1488,1486,1476, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1500,1498,1496,1490, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1522,1520,1518,1500, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1543,1541,1539,1522, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1559,1557,1555,1543, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1569,1567,1565,1559, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1583,1581,1579,1569, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1608,1598,1596,1583, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1614,1612,1610,1608, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1621,1619,1617,1614, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1638,1636,1634,1621, &end
# 1653 atoms read from pdb file actrcbp_001_min.pdb.
# 6 GLU PHI:  (5 ASP C)-(6 GLU N)-(6 GLU CA)-(6 GLU C) -90.0 -40.0
 &rst     iat =    63,    65,    67,    78,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
   rk2 =   150.0, rk3 =   150.0,    &end

# 7 ARG PHI:  (6 GLU C)-(7 ARG N)-(7 ARG CA)-(7 ARG C) -90.0 -40.0
 &rst     iat =    78,    80,    82,   102,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 8 ALA PHI:  (7 ARG C)-(8 ALA N)-(8 ALA CA)-(8 ALA C) -90.0 -40.0
 &rst     iat =   102,   104,   106,   112,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 9 LEU PHI:  (8 ALA C)-(9 LEU N)-(9 LEU CA)-(9 LEU C) -90.0 -40.0
 &rst     iat =   112,   114,   116,   131,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 10 LEU PHI:  (9 LEU C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -90.0 -40.0
 &rst     iat =   131,   133,   135,   150,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 ASP PHI:  (10 LEU C)-(11 ASP N)-(11 ASP CA)-(11 ASP C) -90.0 -40.0
 &rst     iat =   150,   152,   154,   162,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 12 GLN PHI:  (11 ASP C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -90.0 -40.0
 &rst     iat =   162,   164,   166,   179,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 13 LEU PHI:  (12 GLN C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -90.0 -40.0
 &rst     iat =   179,   181,   183,   198,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 14 HIS PHI:  (13 LEU C)-(14 HIS N)-(14 HIS CA)-(14 HIS C) -90.0 -40.0
 &rst     iat =   198,   200,   202,   215,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 15 THR PHI:  (14 HIS C)-(15 THR N)-(15 THR CA)-(15 THR C) -90.0 -40.0
 &rst     iat =   215,   217,   219,   229,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 16 LEU PHI:  (15 THR C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -90.0 -40.0
 &rst     iat =   229,   231,   233,   248,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 17 LEU PHI:  (16 LEU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -90.0 -40.0
 &rst     iat =   248,   250,   252,   267,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 17 LEU PHI:  (16 LEU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -90.0 -40.0
 &rst     iat =   248,   250,   252,   267,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN PHI:  (18 SER C)-(19 ASN N)-(19 ASN CA)-(19 ASN C) -90.0 -40.0
 &rst     iat =   278,   280,   282,   292,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN PHI:  (18 SER C)-(19 ASN N)-(19 ASN CA)-(19 ASN C) -90.0 -40.0
 &rst     iat =   278,   280,   282,   292,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN PHI:  (18 SER C)-(19 ASN N)-(19 ASN CA)-(19 ASN C) -90.0 -40.0
 &rst     iat =   278,   280,   282,   292,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN PHI:  (18 SER C)-(19 ASN N)-(19 ASN CA)-(19 ASN C) -90.0 -40.0
 &rst     iat =   278,   280,   282,   292,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN PHI:  (18 SER C)-(19 ASN N)-(19 ASN CA)-(19 ASN C) -90.0 -40.0
 &rst     iat =   278,   280,   282,   292,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 6 GLU PSI:  (6 GLU N)-(6 GLU CA)-(6 GLU C)-(7 ARG N) -60.0 -20.0
 &rst     iat =    65,    67,    78,    80,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 7 ARG PSI:  (7 ARG N)-(7 ARG CA)-(7 ARG C)-(8 ALA N) -60.0 -20.0
 &rst     iat =    80,    82,   102,   104,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 8 ALA PSI:  (8 ALA N)-(8 ALA CA)-(8 ALA C)-(9 LEU N) -60.0 -20.0
 &rst     iat =   104,   106,   112,   114,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 9 LEU PSI:  (9 LEU N)-(9 LEU CA)-(9 LEU C)-(10 LEU N) -60.0 -20.0
 &rst     iat =   114,   116,   131,   133,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 10 LEU PSI:  (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 ASP N) -60.0 -20.0
 &rst     iat =   133,   135,   150,   152,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 11 ASP PSI:  (11 ASP N)-(11 ASP CA)-(11 ASP C)-(12 GLN N) -60.0 -20.0
 &rst     iat =   152,   154,   162,   164,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 12 GLN PSI:  (12 GLN N)-(12 GLN CA)-(12 GLN C)-(13 LEU N) -60.0 -20.0
 &rst     iat =   164,   166,   179,   181,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 13 HIS PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 HIS N) -60.0 -20.0
 &rst     iat =   181,   183,   198,   200,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 14 THR PSI:  (14 HIS N)-(14 HIS CA)-(14 HIS C)-(15 THR N) -60.0 -20.0
 &rst     iat =   200,   202,   215,   217,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 15 LEU PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 LEU N) -60.0 -20.0
 &rst     iat =   217,   219,   229,   231,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 LEU PSI:  (16 LEU N)-(16 LEU CA)-(16 LEU C)-(17 LEU N) -60.0 -20.0
 &rst     iat =   231,   233,   248,   250,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 23 THR PHI:  (22 ALA C)-(23 THR N)-(23 THR CA)-(23 THR C) -90.0 -40.0
 &rst     iat =   328,   330,   332,   342,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 THR PHI:  (22 ALA C)-(23 THR N)-(23 THR CA)-(23 THR C) -90.0 -40.0
 &rst     iat =   328,   330,   332,   342,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 THR PHI:  (22 ALA C)-(23 THR N)-(23 THR CA)-(23 THR C) -90.0 -40.0
 &rst     iat =   328,   330,   332,   342,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 26 GLU PHI:  (25 LEU C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -90.0 -40.0
 &rst     iat =   368,   370,   372,   383,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 27 GLU PHI:  (26 GLU C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -90.0 -40.0
 &rst     iat =   383,   385,   387,   398,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 28 ILE PHI:  (27 GLU C)-(28 ILE N)-(28 ILE CA)-(28 ILE C) -90.0 -40.0
 &rst     iat =   398,   400,   402,   417,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 29 ASP PHI:  (28 ILE C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -90.0 -40.0
 &rst     iat =   417,   419,   421,   429,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 30 ARG PHI:  (29 ASP C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -90.0 -40.0
 &rst     iat =   429,   431,   433,   453,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 31 ALA PHI:  (30 ARG C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -90.0 -40.0
 &rst     iat =   453,   455,   457,   463,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 31 ALA PHI:  (30 ARG C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -90.0 -40.0
 &rst     iat =   453,   455,   457,   463,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 31 ALA PHI:  (30 ARG C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -90.0 -40.0
 &rst     iat =   453,   455,   457,   463,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 GLY N) -60.0 -20.0
 &rst     iat =   330,   332,   342,   344,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 GLY N) -60.0 -20.0
 &rst     iat =   330,   332,   342,   344,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 GLU N) -60.0 -20.0
 &rst     iat =   370,   372,   383,   385,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 ILE N) -60.0 -20.0
 &rst     iat =   385,   387,   398,   400,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 28 ILE PSI:  (28 ILE N)-(28 ILE CA)-(28 ILE C)-(29 ASP N) -60.0 -20.0
 &rst     iat =   400,   402,   417,   419,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 ARG N) -60.0 -20.0
 &rst     iat =   419,   421,   429,   431,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 ALA N) -60.0 -20.0
 &rst     iat =   431,   433,   453,   455,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 LEU N) -60.0 -20.0
 &rst     iat =   455,   457,   463,   465,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 34 ILE PHI:  (33 GLY C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -90.0 -40.0
 &rst     iat =   489,   491,   493,   508,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 34 ILE PHI:  (33 GLY C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -90.0 -40.0
 &rst     iat =   489,   491,   493,   508,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 36 GLU PHI:  (35 PRO C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -90.0 -40.0
 &rst     iat =   522,   524,   526,   537,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 37 LEU PHI:  (36 GLU C)-(37 LEU N)-(37 LEU CA)-(37 LEU C) -90.0 -40.0
 &rst     iat =   537,   539,   541,   556,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 38 VAL PHI:  (37 LEU C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -90.0 -40.0
 &rst     iat =   556,   558,   560,   572,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 40 GLN PHI:  (39 ASN C)-(40 GLN N)-(40 GLN CA)-(40 GLN C) -90.0 -40.0
 &rst     iat =   586,   588,   590,   603,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 40 GLN PHI:  (39 ASN C)-(40 GLN N)-(40 GLN CA)-(40 GLN C) -90.0 -40.0
 &rst     iat =   586,   588,   590,   603,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 40 GLN PHI:  (39 ASN C)-(40 GLN N)-(40 GLN CA)-(40 GLN C) -90.0 -40.0
 &rst     iat =   586,   588,   590,   603,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 35 PRO PSI:  (35 PRO N)-(35 PRO CA)-(35 PRO C)-(36 GLU N) -60.0 -20.0
 &rst     iat =   510,   520,   522,   524,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 36 GLU PSI:  (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 LEU N) -60.0 -20.0
 &rst     iat =   524,   526,   537,   539,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 37 LEU PSI:  (37 LEU N)-(37 LEU CA)-(37 LEU C)-(38 VAL N) -60.0 -20.0
 &rst     iat =   539,   541,   556,   558,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 ASN N) -60.0 -20.0
 &rst     iat =   558,   560,   572,   574,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 39 ASN PSI:  (39 ASN N)-(39 ASN CA)-(39 ASN C)-(40 GLN N) -60.0 -20.0
 &rst     iat =   574,   576,   586,   588,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 40 GLN PSI:  (40 GLN N)-(40 GLN CA)-(40 GLN C)-(41 GLY N) -60.0 -20.0
 &rst     iat =   588,   590,   603,   605,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 55 SER PHI:  (54 PRO C)-(55 SER N)-(55 SER CA)-(55 SER C) -90.0 -40.0
 &rst     iat =   817,   819,   821,   828,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 56 ALA PHI:  (55 SER C)-(56 ALA N)-(56 ALA CA)-(56 ALA C) -90.0 -40.0
 &rst     iat =   828,   830,   832,   838,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 57 LEU PHI:  (56 ALA C)-(57 LEU N)-(57 LEU CA)-(57 LEU C) -90.0 -40.0
 &rst     iat =   838,   840,   842,   857,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 58 GLN PHI:  (57 LEU C)-(58 GLN N)-(58 GLN CA)-(58 GLN C) -90.0 -40.0
 &rst     iat =   857,   859,   861,   874,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 ASP PHI:  (58 GLN C)-(59 ASP N)-(59 ASP CA)-(59 ASP C) -90.0 -40.0
 &rst     iat =   874,   876,   878,   886,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 60 LEU PHI:  (59 ASP C)-(60 LEU N)-(60 LEU CA)-(60 LEU C) -90.0 -40.0
 &rst     iat =   886,   888,   890,   905,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 61 LEU PHI:  (60 LEU C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -90.0 -40.0
 &rst     iat =   905,   907,   909,   924,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 62 ARG PHI:  (61 LEU C)-(62 ARG N)-(62 ARG CA)-(62 ARG C) -90.0 -40.0
 &rst     iat =   924,   926,   928,   948,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 63 THR PHI:  (62 ARG C)-(63 THR N)-(63 THR CA)-(63 THR C) -90.0 -40.0
 &rst     iat =   948,   950,   952,   962,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 63 THR PHI:  (62 ARG C)-(63 THR N)-(63 THR CA)-(63 THR C) -90.0 -40.0
 &rst     iat =   948,   950,   952,   962,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 65 LYS PHI:  (64 LEU C)-(65 LYS N)-(65 LYS CA)-(65 LYS C) -90.0 -40.0
 &rst     iat =   981,   983,   985,  1003,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 66 SER PHI:  (65 LYS C)-(66 SER N)-(66 SER CA)-(66 SER C) -90.0 -40.0
 &rst     iat =  1003,  1005,  1007,  1014,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 66 SER PHI:  (65 LYS C)-(66 SER N)-(66 SER CA)-(66 SER C) -90.0 -40.0
 &rst     iat =  1003,  1005,  1007,  1014,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 54 PRO PSI:  (54 PRO N)-(54 PRO CA)-(54 PRO C)-(55 SER N) -60.0 -20.0
 &rst     iat =   805,   815,   817,   819,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 55 SER PSI:  (55 SER N)-(55 SER CA)-(55 SER C)-(56 ALA N) -60.0 -20.0
 &rst     iat =   819,   821,   828,   830,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 56 ALA PSI:  (56 ALA N)-(56 ALA CA)-(56 ALA C)-(57 LEU N) -60.0 -20.0
 &rst     iat =   830,   832,   838,   840,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 57 LEU PSI:  (57 LEU N)-(57 LEU CA)-(57 LEU C)-(58 GLN N) -60.0 -20.0
 &rst     iat =   840,   842,   857,   859,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 58 GLN PSI:  (58 GLN N)-(58 GLN CA)-(58 GLN C)-(59 ASP N) -60.0 -20.0
 &rst     iat =   859,   861,   874,   876,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 59 ASP PSI:  (59 ASP N)-(59 ASP CA)-(59 ASP C)-(60 LEU N) -60.0 -20.0
 &rst     iat =   876,   878,   886,   888,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 61 LEU PSI:  (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 ARG N) -60.0 -20.0
 &rst     iat =   907,   909,   924,   926,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 62 ARG PSI:  (62 ARG N)-(62 ARG CA)-(62 ARG C)-(63 THR N) -60.0 -20.0
 &rst     iat =   926,   928,   948,   950,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 LEU N) -60.0 -20.0
 &rst     iat =   950,   952,   962,   964,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 LEU N) -60.0 -20.0
 &rst     iat =   950,   952,   962,   964,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 LEU N) -60.0 -20.0
 &rst     iat =   950,   952,   962,   964,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 LEU N) -60.0 -20.0
 &rst     iat =   950,   952,   962,   964,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 63 THR PSI:  (63 THR N)-(63 THR CA)-(63 THR C)-(64 LEU N) -60.0 -20.0
 &rst     iat =   950,   952,   962,   964,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 68 SER PHI:  (67 PRO C)-(68 SER N)-(68 SER CA)-(68 SER C) -90.0 -40.0
 &rst     iat =  1028,  1030,  1032,  1039,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 69 SER PHI:  (68 SER C)-(69 SER N)-(69 SER CA)-(69 SER C) -90.0 -40.0
 &rst     iat =  1039,  1041,  1043,  1050,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 69 SER PHI:  (68 SER C)-(69 SER N)-(69 SER CA)-(69 SER C) -90.0 -40.0
 &rst     iat =  1039,  1041,  1043,  1050,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -90.0 -40.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -90.0 -40.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -90.0 -40.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -90.0 -40.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -90.0 -40.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -90.0 -40.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 75 GLN PHI:  (74 GLN C)-(75 GLN N)-(75 GLN CA)-(75 GLN C) -90.0 -40.0
 &rst     iat =  1132,  1134,  1136,  1149,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 76 VAL PHI:  (75 GLN C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -90.0 -30.0
 &rst     iat =  1149,  1151,  1153,  1165,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 77 LEU PHI:  (76 VAL C)-(77 LEU N)-(77 LEU CA)-(77 LEU C) -90.0 -40.0
 &rst     iat =  1165,  1167,  1169,  1184,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 78 ASN PHI:  (77 LEU C)-(78 ASN N)-(78 ASN CA)-(78 ASN C) -90.0 -40.0
 &rst     iat =  1184,  1186,  1188,  1198,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 79 ILE PHI:  (78 ASN C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -90.0 -40.0
 &rst     iat =  1198,  1200,  1202,  1217,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 80 LEU PHI:  (79 ILE C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -90.0 -40.0
 &rst     iat =  1217,  1219,  1221,  1236,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 81 LYS PHI:  (80 LEU C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -90.0 -40.0
 &rst     iat =  1236,  1238,  1240,  1258,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 81 LYS PHI:  (80 LEU C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -90.0 -40.0
 &rst     iat =  1236,  1238,  1240,  1258,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 81 LYS PHI:  (80 LEU C)-(81 LYS N)-(81 LYS CA)-(81 LYS C) -90.0 -40.0
 &rst     iat =  1236,  1238,  1240,  1258,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 75 GLN PSI:  (75 GLN N)-(75 GLN CA)-(75 GLN C)-(76 VAL N) -60.0 -20.0
 &rst     iat =  1134,  1136,  1149,  1151,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 LEU N) -60.0 -20.0
 &rst     iat =  1151,  1153,  1165,  1167,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 77 LEU PSI:  (77 LEU N)-(77 LEU CA)-(77 LEU C)-(78 ASN N) -60.0 -20.0
 &rst     iat =  1167,  1169,  1184,  1186,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 78 ASN PSI:  (78 ASN N)-(78 ASN CA)-(78 ASN C)-(79 ILE N) -60.0 -20.0
 &rst     iat =  1186,  1188,  1198,  1200,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 79 ILE PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 LEU N) -60.0 -20.0
 &rst     iat =  1200,  1202,  1217,  1219,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -60.0 -20.0
 &rst     iat =  1219,  1221,  1236,  1238,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -60.0 -20.0
 &rst     iat =  1219,  1221,  1236,  1238,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -60.0 -20.0
 &rst     iat =  1219,  1221,  1236,  1238,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -60.0 -20.0
 &rst     iat =  1219,  1221,  1236,  1238,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 LYS N) -60.0 -20.0
 &rst     iat =  1219,  1221,  1236,  1238,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 86 LEU PHI:  (85 GLN C)-(86 LEU N)-(86 LEU CA)-(86 LEU C) -90.0 -40.0
 &rst     iat =  1314,  1316,  1318,  1333,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 87 MET PHI:  (86 LEU C)-(87 MET N)-(87 MET CA)-(87 MET C) -90.0 -40.0
 &rst     iat =  1333,  1335,  1337,  1350,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 88 ALA PHI:  (87 MET C)-(88 ALA N)-(88 ALA CA)-(88 ALA C) -90.0 -40.0
 &rst     iat =  1350,  1352,  1354,  1360,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 89 ALA PHI:  (88 ALA C)-(89 ALA N)-(89 ALA CA)-(89 ALA C) -90.0 -40.0
 &rst     iat =  1360,  1362,  1364,  1370,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 90 PHE PHI:  (89 ALA C)-(90 PHE N)-(90 PHE CA)-(90 PHE C) -90.0 -40.0
 &rst     iat =  1370,  1372,  1374,  1390,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 91 ILE PHI:  (90 PHE C)-(91 ILE N)-(91 ILE CA)-(91 ILE C) -90.0 -40.0
 &rst     iat =  1390,  1392,  1394,  1409,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 92 LYS PHI:  (91 ILE C)-(92 LYS N)-(92 LYS CA)-(92 LYS C) -90.0 -40.0
 &rst     iat =  1409,  1411,  1413,  1431,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 93 GLN PHI:  (92 LYS C)-(93 GLN N)-(93 GLN CA)-(93 GLN C) -90.0 -40.0
 &rst     iat =  1431,  1433,  1435,  1448,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 94 ARG PHI:  (93 GLN C)-(94 ARG N)-(94 ARG CA)-(94 ARG C) -90.0 -40.0
 &rst     iat =  1448,  1450,  1452,  1472,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 95 THR PHI:  (94 ARG C)-(95 THR N)-(95 THR CA)-(95 THR C) -90.0 -40.0
 &rst     iat =  1472,  1474,  1476,  1486,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 96 ALA PHI:  (95 THR C)-(96 ALA N)-(96 ALA CA)-(96 ALA C) -90.0 -40.0
 &rst     iat =  1486,  1488,  1490,  1496,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 97 LYS PHI:  (96 ALA C)-(97 LYS N)-(97 LYS CA)-(97 LYS C) -90.0 -40.0
 &rst     iat =  1496,  1498,  1500,  1518,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 98 TYR PHI:  (97 LYS C)-(98 TYR N)-(98 TYR CA)-(98 TYR C) -90.0 -40.0
 &rst     iat =  1518,  1520,  1522,  1539,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 99 VAL PHI:  (98 TYR C)-(99 VAL N)-(99 VAL CA)-(99 VAL C) -90.0 -40.0
 &rst     iat =  1539,  1541,  1543,  1555,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 100 ALA PHI:  (99 VAL C)-(100 ALA N)-(100 ALA CA)-(100 ALA C) -90.0 -40.0
 &rst     iat =  1555,  1557,  1559,  1565,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 100 ALA PHI:  (99 VAL C)-(100 ALA N)-(100 ALA CA)-(100 ALA C) -90.0 -40.0
 &rst     iat =  1555,  1557,  1559,  1565,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 100 ALA PHI:  (99 VAL C)-(100 ALA N)-(100 ALA CA)-(100 ALA C) -90.0 -40.0
 &rst     iat =  1555,  1557,  1559,  1565,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 100 ALA PHI:  (99 VAL C)-(100 ALA N)-(100 ALA CA)-(100 ALA C) -90.0 -40.0
 &rst     iat =  1555,  1557,  1559,  1565,
   r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
 &end

# 86 LEU PSI:  (86 LEU N)-(86 LEU CA)-(86 LEU C)-(87 MET N) -60.0 -20.0
 &rst     iat =  1316,  1318,  1333,  1335,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 87 MET PSI:  (87 MET N)-(87 MET CA)-(87 MET C)-(88 ALA N) -60.0 -20.0
 &rst     iat =  1335,  1337,  1350,  1352,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 88 ALA PSI:  (88 ALA N)-(88 ALA CA)-(88 ALA C)-(89 ALA N) -60.0 -20.0
 &rst     iat =  1352,  1354,  1360,  1362,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 89 ALA PSI:  (89 ALA N)-(89 ALA CA)-(89 ALA C)-(90 PHE N) -60.0 -20.0
 &rst     iat =  1362,  1364,  1370,  1372,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 90 PHE PSI:  (90 PHE N)-(90 PHE CA)-(90 PHE C)-(91 ILE N) -60.0 -20.0
 &rst     iat =  1372,  1374,  1390,  1392,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 91 ILE PSI:  (91 ILE N)-(91 ILE CA)-(91 ILE C)-(92 LYS N) -60.0 -20.0
 &rst     iat =  1392,  1394,  1409,  1411,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 92 LYS PSI:  (92 LYS N)-(92 LYS CA)-(92 LYS C)-(93 GLN N) -60.0 -20.0
 &rst     iat =  1411,  1413,  1431,  1433,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 93 GLN PSI:  (93 GLN N)-(93 GLN CA)-(93 GLN C)-(94 ARG N) -60.0 -20.0
 &rst     iat =  1433,  1435,  1448,  1450,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 94 ARG PSI:  (94 ARG N)-(94 ARG CA)-(94 ARG C)-(95 THR N) -60.0 -20.0
 &rst     iat =  1450,  1452,  1472,  1474,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 95 THR PSI:  (95 THR N)-(95 THR CA)-(95 THR C)-(96 ALA N) -60.0 -20.0
 &rst     iat =  1474,  1476,  1486,  1488,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 96 ALA PSI:  (96 ALA N)-(96 ALA CA)-(96 ALA C)-(97 LYS N) -60.0 -20.0
 &rst     iat =  1488,  1490,  1496,  1498,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 97 LYS PSI:  (97 LYS N)-(97 LYS CA)-(97 LYS C)-(98 TYR N) -60.0 -20.0
 &rst     iat =  1498,  1500,  1518,  1520,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 98 TYR PSI:  (98 TYR N)-(98 TYR CA)-(98 TYR C)-(99 VAL N) -60.0 -20.0
 &rst     iat =  1520,  1522,  1539,  1541,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 99 VAL PSI:  (99 VAL N)-(99 VAL CA)-(99 VAL C)-(100 ALA N) -60.0 -20.0
 &rst     iat =  1541,  1543,  1555,  1557,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 99 VAL PSI:  (99 VAL N)-(99 VAL CA)-(99 VAL C)-(100 ALA N) -60.0 -20.0
 &rst     iat =  1541,  1543,  1555,  1557,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 99 VAL PSI:  (99 VAL N)-(99 VAL CA)-(99 VAL C)-(100 ALA N) -60.0 -20.0
 &rst     iat =  1541,  1543,  1555,  1557,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 99 VAL PSI:  (99 VAL N)-(99 VAL CA)-(99 VAL C)-(100 ALA N) -60.0 -20.0
 &rst     iat =  1541,  1543,  1555,  1557,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 83 ASN PHI:  (82 SER C)-(83 ASN N)-(83 ASN CA)-(83 ASN C) -200.0 -90.0
 &rst     iat =  1269,  1271,  1273,  1283,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -200.0 -90.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -201.0, r2 = -200.0, r3 = -90.0, r4 = -89.0,
 &end

# 79 ILE CHI1:  (79 ILE N)-(79 ILE CA)-(79 ILE CB)-(79 ILE CG1) -80.0 -40.0
 &rst     iat =  1200,  1202,  1204,  1210,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 91 ILE CHI1:  (91 ILE N)-(91 ILE CA)-(91 ILE CB)-(91 ILE CG1) -80.0 -40.0
 &rst     iat =  1392,  1394,  1396,  1402,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 91 ILE CHI1:  (91 ILE N)-(91 ILE CA)-(91 ILE CB)-(91 ILE CG1) -80.0 -40.0
 &rst     iat =  1392,  1394,  1396,  1402,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 76 VAL CHI1:  (76 VAL N)-(76 VAL CA)-(76 VAL CB)-(76 VAL CG1) 160.0 200.0
 &rst     iat =  1151,  1153,  1155,  1157,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 76 VAL CHI1:  (76 VAL N)-(76 VAL CA)-(76 VAL CB)-(76 VAL CG1) 160.0 200.0
 &rst     iat =  1151,  1153,  1155,  1157,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 76 VAL CHI1:  (76 VAL N)-(76 VAL CA)-(76 VAL CB)-(76 VAL CG1) 160.0 200.0
 &rst     iat =  1151,  1153,  1155,  1157,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 95 THR CHI1:  (95 THR N)-(95 THR CA)-(95 THR CB)-(95 THR OG1) -80.0  80.0
 &rst     iat =  1474,  1476,  1478,  1484,
   r1 = -81.0, r2 = -80.0, r3 =  80.0, r4 =  81.0,
 &end

# 95 THR CHI1:  (95 THR N)-(95 THR CA)-(95 THR CB)-(95 THR OG1) -80.0  80.0
 &rst     iat =  1474,  1476,  1478,  1484,
   r1 = -81.0, r2 = -80.0, r3 =  80.0, r4 =  81.0,
 &end

# 55 SER CHI1:  (55 SER N)-(55 SER CA)-(55 SER CB)-(55 SER OG)  40.0  80.0
 &rst     iat =   819,   821,   823,   826,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 66 SER CHI1:  (66 SER N)-(66 SER CA)-(66 SER CB)-(66 SER OG)  40.0  80.0
 &rst     iat =  1005,  1007,  1009,  1012,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 66 SER CHI1:  (66 SER N)-(66 SER CA)-(66 SER CB)-(66 SER OG)  40.0  80.0
 &rst     iat =  1005,  1007,  1009,  1012,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 82 SER CHI1:  (82 SER N)-(82 SER CA)-(82 SER CB)-(82 SER OG)  40.0  80.0
 &rst     iat =  1260,  1262,  1264,  1267,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 82 SER CHI1:  (82 SER N)-(82 SER CA)-(82 SER CB)-(82 SER OG)  40.0  80.0
 &rst     iat =  1260,  1262,  1264,  1267,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 82 SER CHI1:  (82 SER N)-(82 SER CA)-(82 SER CB)-(82 SER OG)  40.0  80.0
 &rst     iat =  1260,  1262,  1264,  1267,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 78 ASN CHI1:  (78 ASN N)-(78 ASN CA)-(78 ASN CB)-(78 ASN CG) 160.0 200.0
 &rst     iat =  1186,  1188,  1190,  1193,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 78 ASN CHI1:  (78 ASN N)-(78 ASN CA)-(78 ASN CB)-(78 ASN CG) 160.0 200.0
 &rst     iat =  1186,  1188,  1190,  1193,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 78 ASN CHI1:  (78 ASN N)-(78 ASN CA)-(78 ASN CB)-(78 ASN CG) 160.0 200.0
 &rst     iat =  1186,  1188,  1190,  1193,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 102 GLN CHI1:  (102 GLN N)-(102 GLN CA)-(102 GLN CB)-(102 GLN CG) -80.0 -40.0
 &rst     iat =  1581,  1583,  1585,  1588,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 102 GLN CHI1:  (102 GLN N)-(102 GLN CA)-(102 GLN CB)-(102 GLN CG) -80.0 -40.0
 &rst     iat =  1581,  1583,  1585,  1588,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 94 ARG CHI1:  (94 ARG N)-(94 ARG CA)-(94 ARG CB)-(94 ARG CG) -80.0 -40.0
 &rst     iat =  1450,  1452,  1454,  1457,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 94 ARG CHI1:  (94 ARG N)-(94 ARG CA)-(94 ARG CB)-(94 ARG CG) -80.0 -40.0
 &rst     iat =  1450,  1452,  1454,  1457,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 105 MET CHI1:  (105 MET N)-(105 MET CA)-(105 MET CB)-(105 MET CG)  40.0  80.0
 &rst     iat =  1619,  1621,  1623,  1626,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 105 MET CHI1:  (105 MET N)-(105 MET CA)-(105 MET CB)-(105 MET CG)  40.0  80.0
 &rst     iat =  1619,  1621,  1623,  1626,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 105 MET CHI1:  (105 MET N)-(105 MET CA)-(105 MET CB)-(105 MET CG)  40.0  80.0
 &rst     iat =  1619,  1621,  1623,  1626,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 60 LEU CHI1:  (60 LEU N)-(60 LEU CA)-(60 LEU CB)-(60 LEU CG) 160.0 320.0
 &rst     iat =   888,   890,   892,   895,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 77 LEU CHI1:  (77 LEU N)-(77 LEU CA)-(77 LEU CB)-(77 LEU CG) 160.0 320.0
 &rst     iat =  1167,  1169,  1171,  1174,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 77 LEU CHI1:  (77 LEU N)-(77 LEU CA)-(77 LEU CB)-(77 LEU CG) 160.0 320.0
 &rst     iat =  1167,  1169,  1171,  1174,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 77 LEU CHI1:  (77 LEU N)-(77 LEU CA)-(77 LEU CB)-(77 LEU CG) 160.0 320.0
 &rst     iat =  1167,  1169,  1171,  1174,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 61 LEU CHI1:  (61 LEU N)-(61 LEU CA)-(61 LEU CB)-(61 LEU CG) 160.0 320.0
 &rst     iat =   907,   909,   911,   914,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 61 LEU CHI1:  (61 LEU N)-(61 LEU CA)-(61 LEU CB)-(61 LEU CG) 160.0 320.0
 &rst     iat =   907,   909,   911,   914,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 90 PHE CHI1:  (90 PHE N)-(90 PHE CA)-(90 PHE CB)-(90 PHE CG) 160.0 200.0
 &rst     iat =  1372,  1374,  1376,  1379,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 90 PHE CHI1:  (90 PHE N)-(90 PHE CA)-(90 PHE CB)-(90 PHE CG) 160.0 200.0
 &rst     iat =  1372,  1374,  1376,  1379,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 90 PHE CHI1:  (90 PHE N)-(90 PHE CA)-(90 PHE CB)-(90 PHE CG) 160.0 200.0
 &rst     iat =  1372,  1374,  1376,  1379,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 90 PHE CHI1:  (90 PHE N)-(90 PHE CA)-(90 PHE CB)-(90 PHE CG) 160.0 200.0
 &rst     iat =  1372,  1374,  1376,  1379,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 92 LYS CHI1:  (92 LYS N)-(92 LYS CA)-(92 LYS CB)-(92 LYS CG) 160.0 320.0
 &rst     iat =  1411,  1413,  1415,  1418,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 92 LYS CHI1:  (92 LYS N)-(92 LYS CA)-(92 LYS CB)-(92 LYS CG) 160.0 320.0
 &rst     iat =  1411,  1413,  1415,  1418,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 59 ASP CHI1:  (59 ASP N)-(59 ASP CA)-(59 ASP CB)-(59 ASP CG) 160.0 320.0
 &rst     iat =   876,   878,   880,   883,
   r1 = 159.0, r2 = 160.0, r3 = 320.0, r4 = 321.0,
 &end

# 16 LEU CHI1:  (16 LEU N)-(16 LEU CA)-(16 LEU CB)-(16 LEU CG) 160.0 200.0
 &rst     iat =   231,   233,   235,   238,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 16 LEU CHI1:  (16 LEU N)-(16 LEU CA)-(16 LEU CB)-(16 LEU CG) 160.0 200.0
 &rst     iat =   231,   233,   235,   238,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 37 LEU CHI1:  (37 LEU N)-(37 LEU CA)-(37 LEU CB)-(37 LEU CG) -80.0 -40.0
 &rst     iat =   539,   541,   543,   546,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 32 LEU CHI1:  (32 LEU N)-(32 LEU CA)-(32 LEU CB)-(32 LEU CG) -80.0 -40.0
 &rst     iat =   465,   467,   469,   472,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   351,   353,   355,   358,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   351,   353,   355,   358,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   351,   353,   355,   358,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 19 ASN CHI1:  (19 ASN N)-(19 ASN CA)-(19 ASN CB)-(19 ASN CG)  40.0  80.0
 &rst     iat =   280,   282,   284,   287,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 19 ASN CHI1:  (19 ASN N)-(19 ASN CA)-(19 ASN CB)-(19 ASN CG)  40.0  80.0
 &rst     iat =   280,   282,   284,   287,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -80.0 -40.0
 &rst     iat =   152,   154,   156,   159,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -80.0 -40.0
 &rst     iat =   152,   154,   156,   159,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -80.0 -40.0
 &rst     iat =   152,   154,   156,   159,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -80.0 -40.0
 &rst     iat =   152,   154,   156,   159,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -80.0 -40.0
 &rst     iat =   152,   154,   156,   159,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 45 GLU CHI1:  (45 GLU N)-(45 GLU CA)-(45 GLU CB)-(45 GLU CG) -80.0 -40.0
 &rst     iat =   658,   660,   662,   665,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 45 GLU CHI1:  (45 GLU N)-(45 GLU CA)-(45 GLU CB)-(45 GLU CG) -80.0 -40.0
 &rst     iat =   658,   660,   662,   665,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 34 ILE CHI1:  (34 ILE N)-(34 ILE CA)-(34 ILE CB)-(34 ILE CG1) -80.0 -40.0
 &rst     iat =   491,   493,   495,   501,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 28 ILE CHI1:  (28 ILE N)-(28 ILE CA)-(28 ILE CB)-(28 ILE CG1) -80.0 -40.0
 &rst     iat =   400,   402,   404,   410,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 28 ILE CHI1:  (28 ILE N)-(28 ILE CA)-(28 ILE CB)-(28 ILE CG1) -80.0 -40.0
 &rst     iat =   400,   402,   404,   410,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 20 THR CHI1:  (20 THR N)-(20 THR CA)-(20 THR CB)-(20 THR OG1)  40.0  80.0
 &rst     iat =   294,   296,   298,   304,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 15 THR CHI1:  (15 THR N)-(15 THR CA)-(15 THR CB)-(15 THR OG1) -80.0 -40.0
 &rst     iat =   217,   219,   221,   227,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 15 THR CHI1:  (15 THR N)-(15 THR CA)-(15 THR CB)-(15 THR OG1) -80.0 -40.0
 &rst     iat =   217,   219,   221,   227,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 15 THR CHI1:  (15 THR N)-(15 THR CA)-(15 THR CB)-(15 THR OG1) -80.0 -40.0
 &rst     iat =   217,   219,   221,   227,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 15 THR CHI1:  (15 THR N)-(15 THR CA)-(15 THR CB)-(15 THR OG1) -80.0 -40.0
 &rst     iat =   217,   219,   221,   227,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 160.0 200.0
 &rst     iat =   385,   387,   389,   392,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 4 GLN PHI:  (3 GLN C)-(4 SER N)-(4 SER CA)-(4 SER C) -180.0   0.0
 &rst     iat =    40,    42,    44,    51,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 5 ASP PHI:  (4 SER C)-(5 ASP N)-(5 ASP CA)-(5 ASP C) -180.0   0.0
 &rst     iat =    51,    53,    55,    63,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 5 ASP PHI:  (4 SER C)-(5 ASP N)-(5 ASP CA)-(5 ASP C) -180.0   0.0
 &rst     iat =    51,    53,    55,    63,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 42 GLN PHI:  (41 GLY C)-(42 GLN N)-(42 GLN CA)-(42 GLN C) -180.0   0.0
 &rst     iat =   610,   612,   614,   627,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 43 ALA PHI:  (42 GLN C)-(43 ALA N)-(43 ALA CA)-(43 ALA C) -180.0   0.0
 &rst     iat =   627,   629,   631,   637,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 44 LEU PHI:  (43 ALA C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -180.0   0.0
 &rst     iat =   637,   639,   641,   656,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 45 GLU PHI:  (44 LEU C)-(45 GLU N)-(45 GLU CA)-(45 GLU C) -180.0   0.0
 &rst     iat =   656,   658,   660,   671,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 46 PRO PHI:  (45 GLU C)-(46 PRO N)-(46 PRO CA)-(46 PRO C) -180.0   0.0
 &rst     iat =   671,   673,   683,   685,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 47 LYS PHI:  (46 PRO C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -180.0   0.0
 &rst     iat =   685,   687,   689,   707,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 47 LYS PHI:  (46 PRO C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -180.0   0.0
 &rst     iat =   685,   687,   689,   707,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 49 ASN PHI:  (48 PRO C)-(49 ASN N)-(49 ASN CA)-(49 ASN C) -180.0   0.0
 &rst     iat =   724,   726,   728,   738,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 50 ARG PHI:  (49 ASN C)-(50 ARG N)-(50 ARG CA)-(50 ARG C) -180.0   0.0
 &rst     iat =   738,   740,   742,   762,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 51 SER PHI:  (50 ARG C)-(51 SER N)-(51 SER CA)-(51 SER C) -180.0   0.0
 &rst     iat =   762,   764,   766,   773,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 52 ILE PHI:  (51 SER C)-(52 ILE N)-(52 ILE CA)-(52 ILE C) -180.0   0.0
 &rst     iat =   773,   775,   777,   792,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 53 SER PHI:  (52 ILE C)-(53 SER N)-(53 SER CA)-(53 SER C) -180.0   0.0
 &rst     iat =   792,   794,   796,   803,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 54 PRO PHI:  (53 SER C)-(54 PRO N)-(54 PRO CA)-(54 PRO C) -180.0   0.0
 &rst     iat =   803,   805,   815,   817,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 54 PRO PHI:  (53 SER C)-(54 PRO N)-(54 PRO CA)-(54 PRO C) -180.0   0.0
 &rst     iat =   803,   805,   815,   817,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 101 ASN PHI:  (100 ALA C)-(101 ASN N)-(101 ASN CA)-(101 ASN C) -180.0   0.0
 &rst     iat =  1565,  1567,  1569,  1579,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 102 GLN PHI:  (101 ASN C)-(102 GLN N)-(102 GLN CA)-(102 GLN C) -180.0   0.0
 &rst     iat =  1579,  1581,  1583,  1596,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 103 PRO PHI:  (102 GLN C)-(103 PRO N)-(103 PRO CA)-(103 PRO C) -180.0   0.0
 &rst     iat =  1596,  1598,  1608,  1610,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 105 MET PHI:  (104 GLY C)-(105 MET N)-(105 MET CA)-(105 MET C) -180.0   0.0
 &rst     iat =  1617,  1619,  1621,  1634,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 106 GLN PHI:  (105 MET C)-(106 GLN N)-(106 GLN CA)-(106 GLN C) -180.0   0.0
 &rst     iat =  1634,  1636,  1638,  1651,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 106 GLN PHI:  (105 MET C)-(106 GLN N)-(106 GLN CA)-(106 GLN C) -180.0   0.0
 &rst     iat =  1634,  1636,  1638,  1651,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 71 GLN PHI:  (70 PRO C)-(71 GLN N)-(71 GLN CA)-(71 GLN C) -180.0   0.0
 &rst     iat =  1064,  1066,  1068,  1081,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 72 GLN PHI:  (71 GLN C)-(72 GLN N)-(72 GLN CA)-(72 GLN C) -180.0   0.0
 &rst     iat =  1081,  1083,  1085,  1098,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 73 GLN PHI:  (72 GLN C)-(73 GLN N)-(73 GLN CA)-(73 GLN C) -180.0   0.0
 &rst     iat =  1098,  1100,  1102,  1115,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 GLN PHI:  (73 GLN C)-(74 GLN N)-(74 GLN CA)-(74 GLN C) -180.0   0.0
 &rst     iat =  1115,  1117,  1119,  1132,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          H1        GLU   1   7.078 -14.797 -10.344
    2   2H    GLU   1          H2        GLU   1   7.325 -16.273  -9.637
    3   3H    GLU   1          H3        GLU   1   7.084 -14.957  -8.706
    4    HA   GLU   1           HA       GLU   1   9.396 -15.309 -10.450
    5   1HB   GLU   1          HB2       GLU   1  10.372 -13.417  -9.378
    6   2HB   GLU   1          HB3       GLU   1   8.806 -12.981 -10.082
    7   1HG   GLU   1          HG2       GLU   1   9.441 -13.322  -7.128
    8   2HG   GLU   1          HG3       GLU   1   9.151 -11.801  -8.012
    9    H    GLY   2           H        GLY   2  11.008 -14.753  -7.713
   10   1HA   GLY   2          HA2       GLY   2  10.716 -17.559  -6.718
   11   2HA   GLY   2          HA3       GLY   2  12.243 -16.697  -6.875
   12    H    GLN   3           H        GLN   3   9.511 -14.901  -5.912
   13    HA   GLN   3           HA       GLN   3   9.919 -13.283  -4.240
   14   1HB   GLN   3          HB2       GLN   3   7.709 -15.098  -4.277
   15   2HB   GLN   3          HB3       GLN   3   7.945 -14.525  -2.626
   16   1HG   GLN   3          HG2       GLN   3   7.968 -12.180  -3.389
   17   2HG   GLN   3          HG3       GLN   3   7.932 -12.682  -5.075
   18   1HE2  GLN   3          1HE2      GLN   3   5.967 -13.579  -5.936
   19   2HE2  GLN   3          2HE2      GLN   3   4.518 -12.916  -5.257
   20    H    SER   4           H        SER   4  11.912 -13.414  -3.657
   21    HA   SER   4           HA       SER   4  12.605 -14.367  -0.920
   22   1HB   SER   4          HB2       SER   4  14.121 -14.335  -3.557
   23   2HB   SER   4          HB3       SER   4  14.906 -14.617  -1.975
   24    HG   SER   4           HG       SER   4  12.892 -16.187  -3.217
   25    H    ASP   5           H        ASP   5  13.889 -12.126  -3.481
   26    HA   ASP   5           HA       ASP   5  14.492 -10.135  -1.370
   27   1HB   ASP   5          HB2       ASP   5  15.753  -8.911  -3.067
   28   2HB   ASP   5          HB3       ASP   5  16.396 -10.524  -2.812
   29    H    GLU   6           H        GLU   6  12.630 -11.010  -4.228
   30    HA   GLU   6           HA       GLU   6  11.174  -8.616  -4.538
   31   1HB   GLU   6          HB2       GLU   6   9.863 -11.277  -5.105
   32   2HB   GLU   6          HB3       GLU   6   9.883  -9.773  -6.037
   33   1HG   GLU   6          HG2       GLU   6  11.086 -11.127  -7.414
   34   2HG   GLU   6          HG3       GLU   6  12.400 -10.393  -6.524
   35    H    ARG   7           H        ARG   7  10.596 -11.479  -2.503
   36    HA   ARG   7           HA       ARG   7   8.092 -10.489  -1.396
   37   1HB   ARG   7          HB2       ARG   7   8.659 -12.892  -1.276
   38   2HB   ARG   7          HB3       ARG   7  10.146 -12.525  -0.408
   39   1HG   ARG   7          HG2       ARG   7   8.623 -13.429   1.141
   40   2HG   ARG   7          HG3       ARG   7   8.800 -11.744   1.538
   41   1HD   ARG   7          HD2       ARG   7   6.422 -12.966   0.018
   42   2HD   ARG   7          HD3       ARG   7   6.520 -12.613   1.765
   43    HE   ARG   7           HE       ARG   7   6.689 -10.376   1.386
   44   1HH1  ARG   7          2HH2      ARG   7   5.095 -11.861  -1.454
   45   2HH1  ARG   7          1HH2      ARG   7   3.674 -10.916  -1.185
   46   1HH2  ARG   7          1HH1      ARG   7   4.895  -9.269   1.562
   47   2HH2  ARG   7          2HH1      ARG   7   3.625  -9.274   0.350
   48    H    ALA   8           H        ALA   8  11.450 -10.540  -0.051
   49    HA   ALA   8           HA       ALA   8  10.740  -9.042   2.225
   50   1HB   ALA   8          HB1       ALA   8  13.196  -8.613   2.383
   51   2HB   ALA   8          HB2       ALA   8  12.836 -10.314   1.998
   52   3HB   ALA   8          HB3       ALA   8  13.408  -9.206   0.730
   53    H    LEU   9           H        LEU   9  11.755  -7.744  -1.054
   54    HA   LEU   9           HA       LEU   9  11.655  -5.096   0.107
   55   1HB   LEU   9          HB2       LEU   9  12.890  -4.437  -1.448
   56   2HB   LEU   9          HB3       LEU   9  13.090  -6.089  -1.947
   57    HG   LEU   9           HG       LEU   9  12.840  -4.543  -3.770
   58   1HD1  LEU   9          1HD1      LEU   9  10.566  -6.524  -3.609
   59   2HD1  LEU   9          2HD1      LEU   9  11.227  -5.818  -5.108
   60   3HD1  LEU   9          3HD1      LEU   9  12.234  -6.862  -4.094
   61   1HD2  LEU   9          1HD2      LEU   9  11.173  -3.007  -2.522
   62   2HD2  LEU   9          2HD2      LEU   9  11.029  -3.197  -4.263
   63   3HD2  LEU   9          3HD2      LEU   9   9.918  -4.069  -3.166
   64    H    LEU  10           H        LEU  10   9.292  -7.129  -1.631
   65    HA   LEU  10           HA       LEU  10   7.238  -5.139  -1.959
   66   1HB   LEU  10          HB2       LEU  10   7.165  -7.236  -3.138
   67   2HB   LEU  10          HB3       LEU  10   7.297  -8.154  -1.638
   68    HG   LEU  10           HG       LEU  10   5.044  -7.666  -1.008
   69   1HD1  LEU  10          1HD1      LEU  10   3.526  -6.516  -2.604
   70   2HD1  LEU  10          2HD1      LEU  10   4.680  -5.424  -1.822
   71   3HD1  LEU  10          3HD1      LEU  10   4.960  -5.959  -3.507
   72   1HD2  LEU  10          1HD2      LEU  10   5.572  -9.504  -2.675
   73   2HD2  LEU  10          2HD2      LEU  10   3.915  -8.878  -2.822
   74   3HD2  LEU  10          3HD2      LEU  10   5.161  -8.385  -3.979
   75    H    ASP  11           H        ASP  11   7.974  -7.424   0.721
   76    HA   ASP  11           HA       ASP  11   5.878  -6.666   2.415
   77   1HB   ASP  11          HB2       ASP  11   8.633  -7.848   2.908
   78   2HB   ASP  11          HB3       ASP  11   7.610  -7.445   4.280
   79    H    GLN  12           H        GLN  12   9.242  -5.340   2.489
   80    HA   GLN  12           HA       GLN  12   8.518  -3.363   4.435
   81   1HB   GLN  12          HB2       GLN  12  10.718  -2.444   4.125
   82   2HB   GLN  12          HB3       GLN  12  10.810  -4.209   3.984
   83   1HG   GLN  12          HG2       GLN  12  12.256  -3.547   2.384
   84   2HG   GLN  12          HG3       GLN  12  10.773  -3.988   1.530
   85   1HE2  GLN  12          2HE2      GLN  12  10.492  -2.686  -0.198
   86   2HE2  GLN  12          1HE2      GLN  12  10.999  -0.970  -0.229
   87    H    LEU  13           H        LEU  13   8.274  -3.316   0.864
   88    HA   LEU  13           HA       LEU  13   7.771  -0.495   0.870
   89   1HB   LEU  13          HB2       LEU  13   8.691  -1.887  -1.054
   90   2HB   LEU  13          HB3       LEU  13   7.054  -2.460  -1.348
   91    HG   LEU  13           HG       LEU  13   6.367  -0.195  -1.989
   92   1HD1  LEU  13          1HD1      LEU  13   8.046   1.708  -1.994
   93   2HD1  LEU  13          2HD1      LEU  13   7.500   1.227  -0.400
   94   3HD1  LEU  13          3HD1      LEU  13   9.106   0.700  -0.992
   95   1HD2  LEU  13          1HD2      LEU  13   9.160  -0.790  -3.090
   96   2HD2  LEU  13          2HD2      LEU  13   7.680  -1.565  -3.649
   97   3HD2  LEU  13          3HD2      LEU  13   7.903   0.188  -3.882
   98    H    HIS  14           H        HIS  14   5.556  -3.361   0.935
   99    HA   HIS  14           HA       HIS  14   3.250  -1.574   0.831
  100   1HB   HIS  14          HB2       HIS  14   1.843  -3.386   1.010
  101   2HB   HIS  14          HB3       HIS  14   3.185  -3.973   0.046
  102    HD2  HIS  14           HD2      HIS  14   2.218  -4.030   3.858
  103    HE1  HIS  14           HE1      HIS  14   3.489  -7.939   2.801
  104    HE2  HIS  14           HE2      HIS  14   2.703  -6.475   4.702
  105    H    THR  15           H        THR  15   5.318  -2.845   3.369
  106    HA   THR  15           HA       THR  15   3.680  -1.980   5.592
  107    HB   THR  15           HB       THR  15   6.721  -2.099   5.502
  108    HG1  THR  15           HG1      THR  15   5.908  -4.115   4.992
  109   1HG2  THR  15          1HG2      THR  15   6.469  -2.511   7.953
  110   2HG2  THR  15          2HG2      THR  15   5.832  -0.924   7.483
  111   3HG2  THR  15          3HG2      THR  15   4.722  -2.269   7.809
  112    H    LEU  16           H        LEU  16   6.379  -0.241   3.897
  113    HA   LEU  16           HA       LEU  16   6.004   2.274   5.105
  114   1HB   LEU  16          HB2       LEU  16   7.828   1.796   3.487
  115   2HB   LEU  16          HB3       LEU  16   6.661   1.532   2.220
  116    HG   LEU  16           HG       LEU  16   5.951   4.105   2.880
  117   1HD1  LEU  16          1HD1      LEU  16   8.928   3.961   3.488
  118   2HD1  LEU  16          2HD1      LEU  16   7.979   5.442   3.284
  119   3HD1  LEU  16          3HD1      LEU  16   7.628   4.353   4.638
  120   1HD2  LEU  16          1HD2      LEU  16   7.548   4.766   0.989
  121   2HD2  LEU  16          2HD2      LEU  16   7.977   3.041   0.946
  122   3HD2  LEU  16          3HD2      LEU  16   6.316   3.531   0.658
  123    H    LEU  17           H        LEU  17   4.468   1.094   2.100
  124    HA   LEU  17           HA       LEU  17   2.822   3.375   1.812
  125   1HB   LEU  17          HB2       LEU  17   3.799   1.360   0.257
  126   2HB   LEU  17          HB3       LEU  17   2.126   0.853   0.342
  127    HG   LEU  17           HG       LEU  17   1.470   2.929  -0.835
  128   1HD1  LEU  17          1HD1      LEU  17   3.228   4.541  -1.581
  129   2HD1  LEU  17          2HD1      LEU  17   2.665   4.659   0.076
  130   3HD1  LEU  17          3HD1      LEU  17   4.269   3.903  -0.294
  131   1HD2  LEU  17          1HD2      LEU  17   4.091   1.811  -1.946
  132   2HD2  LEU  17          2HD2      LEU  17   2.480   1.079  -2.147
  133   3HD2  LEU  17          3HD2      LEU  17   2.819   2.663  -2.854
  134    H    SER  18           H        SER  18   2.355   1.035   4.049
  135    HA   SER  18           HA       SER  18  -0.430   1.938   4.416
  136   1HB   SER  18          HB2       SER  18  -1.329  -0.220   4.694
  137   2HB   SER  18          HB3       SER  18  -0.445  -0.227   3.163
  138    HG   SER  18           HG       SER  18   1.228  -1.293   4.171
  139    H    ASN  19           H        ASN  19   2.277   2.273   5.748
  140    HA   ASN  19           HA       ASN  19   2.613   1.104   8.192
  141   1HB   ASN  19          HB2       ASN  19   4.154   2.923   8.620
  142   2HB   ASN  19          HB3       ASN  19   4.180   2.657   6.889
  143   1HD2  ASN  19          2HD2      ASN  19   3.138   4.315   5.493
  144   2HD2  ASN  19          1HD2      ASN  19   2.510   5.803   6.268
  145    H    THR  20           H        THR  20  -0.100   2.447   7.725
  146    HA   THR  20           HA       THR  20  -1.827   2.799   9.335
  147    HB   THR  20           HB       THR  20  -1.708   5.006  10.624
  148    HG1  THR  20           HG1      THR  20   1.022   4.390  10.448
  149   1HG2  THR  20          1HG2      THR  20  -1.909   2.860  11.739
  150   2HG2  THR  20          2HG2      THR  20  -0.182   2.542  11.549
  151   3HG2  THR  20          3HG2      THR  20  -0.724   3.861  12.613
  152    H    ASP  21           H        ASP  21  -0.238   5.890   8.466
  153    HA   ASP  21           HA       ASP  21  -1.791   6.020   5.956
  154   1HB   ASP  21          HB2       ASP  21  -2.356   7.878   8.322
  155   2HB   ASP  21          HB3       ASP  21  -2.953   8.154   6.690
  156    H    ALA  22           H        ALA  22  -1.663   8.632   5.279
  157    HA   ALA  22           HA       ALA  22   0.506  10.057   5.995
  158   1HB   ALA  22          HB1       ALA  22   1.813   8.429   4.574
  159   2HB   ALA  22          HB2       ALA  22   0.882   8.937   3.161
  160   3HB   ALA  22          HB3       ALA  22   1.889  10.108   4.018
  161    H    THR  23           H        THR  23   0.043  12.000   5.530
  162    HA   THR  23           HA       THR  23  -2.546  12.776   5.187
  163    HB   THR  23           HB       THR  23  -0.766  14.193   6.164
  164    HG1  THR  23           HG1      THR  23  -2.707  15.163   4.384
  165   1HG2  THR  23          1HG2      THR  23  -0.315  15.253   3.345
  166   2HG2  THR  23          2HG2      THR  23   0.386  15.853   4.849
  167   3HG2  THR  23          3HG2      THR  23   0.846  14.245   4.269
  168    H    GLY  24           H        GLY  24  -0.610  12.330   2.346
  169   1HA   GLY  24          HA2       GLY  24  -2.868  13.367   0.656
  170   2HA   GLY  24          HA3       GLY  24  -1.242  13.004   0.082
  171    H    LEU  25           H        LEU  25  -1.642  10.454   1.942
  172    HA   LEU  25           HA       LEU  25  -2.330   8.529  -0.026
  173   1HB   LEU  25          HB2       LEU  25  -1.004   8.542   2.316
  174   2HB   LEU  25          HB3       LEU  25  -2.462   7.918   2.945
  175    HG   LEU  25           HG       LEU  25  -2.191   6.031   1.145
  176   1HD1  LEU  25          1HD1      LEU  25   0.251   5.855   0.323
  177   2HD1  LEU  25          2HD1      LEU  25  -0.771   7.018  -0.519
  178   3HD1  LEU  25          3HD1      LEU  25   0.384   7.582   0.715
  179   1HD2  LEU  25          1HD2      LEU  25   0.086   6.499   3.129
  180   2HD2  LEU  25          2HD2      LEU  25  -1.497   5.773   3.504
  181   3HD2  LEU  25          3HD2      LEU  25  -0.371   4.933   2.426
  182    H    GLU  26           H        GLU  26  -4.314  10.406   2.166
  183    HA   GLU  26           HA       GLU  26  -6.697   8.841   1.931
  184   1HB   GLU  26          HB2       GLU  26  -7.877  10.707   2.747
  185   2HB   GLU  26          HB3       GLU  26  -6.298  10.772   3.499
  186   1HG   GLU  26          HG2       GLU  26  -6.754  12.969   3.010
  187   2HG   GLU  26          HG3       GLU  26  -5.607  12.481   1.779
  188    H    GLU  27           H        GLU  27  -5.361  11.348  -0.304
  189    HA   GLU  27           HA       GLU  27  -7.547  11.076  -2.164
  190   1HB   GLU  27          HB2       GLU  27  -6.085  13.083  -2.216
  191   2HB   GLU  27          HB3       GLU  27  -4.718  12.091  -2.728
  192   1HG   GLU  27          HG2       GLU  27  -5.588  11.661  -4.837
  193   2HG   GLU  27          HG3       GLU  27  -7.253  11.810  -4.328
  194    H    ILE  28           H        ILE  28  -4.283   9.627  -2.005
  195    HA   ILE  28           HA       ILE  28  -4.519   8.100  -4.377
  196    HB   ILE  28           HB       ILE  28  -3.045   7.237  -1.853
  197   1HG1  ILE  28          2HG1      ILE  28  -2.342   9.516  -2.257
  198   2HG1  ILE  28          3HG1      ILE  28  -1.054   8.410  -2.652
  199   1HG2  ILE  28          1HG2      ILE  28  -1.448   6.156  -3.328
  200   2HG2  ILE  28          2HG2      ILE  28  -3.084   5.522  -3.646
  201   3HG2  ILE  28          3HG2      ILE  28  -2.350   6.685  -4.758
  202   1HD1  ILE  28          1HD1      ILE  28  -2.860   9.751  -4.716
  203   2HD1  ILE  28          2HD1      ILE  28  -1.238  10.283  -4.243
  204   3HD1  ILE  28          3HD1      ILE  28  -1.444   8.722  -5.055
  205    H    ASP  29           H        ASP  29  -5.703   7.319  -1.104
  206    HA   ASP  29           HA       ASP  29  -6.648   4.683  -1.700
  207   1HB   ASP  29          HB2       ASP  29  -7.457   6.755   0.377
  208   2HB   ASP  29          HB3       ASP  29  -8.128   5.141   0.322
  209    H    ARG  30           H        ARG  30  -8.447   7.859  -1.564
  210    HA   ARG  30           HA       ARG  30 -10.851   6.619  -2.601
  211   1HB   ARG  30          HB2       ARG  30 -11.827   8.817  -2.804
  212   2HB   ARG  30          HB3       ARG  30 -11.058   8.572  -1.229
  213   1HG   ARG  30          HG2       ARG  30  -9.143   9.864  -1.932
  214   2HG   ARG  30          HG3       ARG  30  -9.859  10.188  -3.505
  215   1HD   ARG  30          HD2       ARG  30 -11.630  11.541  -2.476
  216   2HD   ARG  30          HD3       ARG  30 -11.267  10.900  -0.881
  217    HE   ARG  30           HE       ARG  30  -9.561  12.394  -0.583
  218   1HH1  ARG  30          1HH2      ARG  30 -10.267  12.505  -4.069
  219   2HH1  ARG  30          2HH2      ARG  30  -8.971  13.724  -4.199
  220   1HH2  ARG  30          1HH1      ARG  30  -8.100  14.023  -1.058
  221   2HH2  ARG  30          2HH1      ARG  30  -7.948  14.473  -2.734
  222    H    ALA  31           H        ALA  31  -8.117   8.114  -4.316
  223    HA   ALA  31           HA       ALA  31  -9.282   8.103  -6.915
  224   1HB   ALA  31          HB1       ALA  31  -7.192   9.262  -6.343
  225   2HB   ALA  31          HB2       ALA  31  -6.401   7.703  -6.009
  226   3HB   ALA  31          HB3       ALA  31  -6.919   8.117  -7.656
  227    H    LEU  32           H        LEU  32  -8.269   5.488  -4.864
  228    HA   LEU  32           HA       LEU  32  -8.658   3.485  -7.042
  229   1HB   LEU  32          HB2       LEU  32  -7.104   3.448  -4.435
  230   2HB   LEU  32          HB3       LEU  32  -7.411   1.991  -5.362
  231    HG   LEU  32           HG       LEU  32  -6.125   4.422  -6.674
  232   1HD1  LEU  32          1HD1      LEU  32  -4.811   3.860  -4.662
  233   2HD1  LEU  32          2HD1      LEU  32  -4.628   2.193  -5.262
  234   3HD1  LEU  32          3HD1      LEU  32  -3.938   3.570  -6.171
  235   1HD2  LEU  32          1HD2      LEU  32  -5.246   2.763  -8.228
  236   2HD2  LEU  32          2HD2      LEU  32  -5.887   1.440  -7.238
  237   3HD2  LEU  32          3HD2      LEU  32  -6.998   2.541  -8.087
  238    H    GLY  33           H        GLY  33 -10.626   5.017  -5.135
  239   1HA   GLY  33          HA2       GLY  33 -12.681   4.606  -4.204
  240   2HA   GLY  33          HA3       GLY  33 -12.640   3.040  -5.010
  241    H    ILE  34           H        ILE  34 -10.063   3.474  -2.753
  242    HA   ILE  34           HA       ILE  34 -10.697   1.106  -1.473
  243    HB   ILE  34           HB       ILE  34  -8.804   3.187  -0.388
  244   1HG1  ILE  34          2HG1      ILE  34  -8.450   0.822  -2.296
  245   2HG1  ILE  34          3HG1      ILE  34  -8.303   2.514  -2.730
  246   1HG2  ILE  34          1HG2      ILE  34  -9.489   1.450   1.287
  247   2HG2  ILE  34          2HG2      ILE  34  -9.071   0.198   0.096
  248   3HG2  ILE  34          3HG2      ILE  34  -7.815   1.253   0.796
  249   1HD1  ILE  34          1HD1      ILE  34  -6.420   0.869  -1.041
  250   2HD1  ILE  34          2HD1      ILE  34  -6.084   1.784  -2.528
  251   3HD1  ILE  34          3HD1      ILE  34  -6.389   2.640  -1.005
  252    HA   PRO  35           HA       PRO  35 -12.702   3.306   2.338
  253   1HB   PRO  35          HB2       PRO  35 -13.800   5.693   0.863
  254   2HB   PRO  35          HB3       PRO  35 -13.370   5.542   2.604
  255   1HG   PRO  35          HG2       PRO  35 -11.681   6.798   0.936
  256   2HG   PRO  35          HG3       PRO  35 -11.008   5.573   2.071
  257   1HD   PRO  35          HD2       PRO  35 -11.748   5.211  -0.843
  258   2HD   PRO  35          HD3       PRO  35 -10.233   4.741  -0.007
  259    H    GLU  36           H        GLU  36 -13.948   3.032  -0.950
  260    HA   GLU  36           HA       GLU  36 -16.662   2.361  -0.038
  261   1HB   GLU  36          HB2       GLU  36 -16.008   3.624  -2.224
  262   2HB   GLU  36          HB3       GLU  36 -15.584   2.047  -2.848
  263   1HG   GLU  36          HG2       GLU  36 -18.294   2.843  -1.690
  264   2HG   GLU  36          HG3       GLU  36 -17.909   2.864  -3.403
  265    H    LEU  37           H        LEU  37 -13.769   0.836  -1.518
  266    HA   LEU  37           HA       LEU  37 -14.580  -1.871  -1.474
  267   1HB   LEU  37          HB2       LEU  37 -11.773  -0.780  -0.986
  268   2HB   LEU  37          HB3       LEU  37 -12.194  -2.429  -1.415
  269    HG   LEU  37           HG       LEU  37 -12.678  -0.007  -3.201
  270   1HD1  LEU  37          1HD1      LEU  37 -10.288  -0.571  -2.904
  271   2HD1  LEU  37          2HD1      LEU  37 -10.617  -2.250  -3.383
  272   3HD1  LEU  37          3HD1      LEU  37 -10.844  -0.919  -4.545
  273   1HD2  LEU  37          1HD2      LEU  37 -13.074  -2.977  -3.727
  274   2HD2  LEU  37          2HD2      LEU  37 -14.330  -1.723  -3.683
  275   3HD2  LEU  37          3HD2      LEU  37 -13.115  -1.680  -4.961
  276    H    VAL  38           H        VAL  38 -13.500   0.084   1.211
  277    HA   VAL  38           HA       VAL  38 -13.238  -1.861   3.281
  278    HB   VAL  38           HB       VAL  38 -14.293   0.985   3.304
  279   1HG1  VAL  38          1HG1      VAL  38 -15.119  -0.193   5.380
  280   2HG1  VAL  38          2HG1      VAL  38 -13.424  -0.554   5.788
  281   3HG1  VAL  38          3HG1      VAL  38 -13.978   1.113   5.697
  282   1HG2  VAL  38          1HG2      VAL  38 -11.646  -0.212   4.234
  283   2HG2  VAL  38          2HG2      VAL  38 -11.855   0.581   2.680
  284   3HG2  VAL  38          3HG2      VAL  38 -12.071   1.533   4.147
  285    H    ASN  39           H        ASN  39 -16.265  -0.026   2.456
  286    HA   ASN  39           HA       ASN  39 -17.843  -1.785   4.103
  287   1HB   ASN  39          HB2       ASN  39 -19.534  -0.398   3.828
  288   2HB   ASN  39          HB3       ASN  39 -18.302   0.708   3.258
  289   1HD2  ASN  39          2HD2      ASN  39 -17.890   0.129   0.612
  290   2HD2  ASN  39          1HD2      ASN  39 -19.359   0.297  -0.256
  291    H    GLN  40           H        GLN  40 -16.844  -2.062   0.747
  292    HA   GLN  40           HA       GLN  40 -18.620  -4.266   0.098
  293   1HB   GLN  40          HB2       GLN  40 -15.862  -3.584  -0.988
  294   2HB   GLN  40          HB3       GLN  40 -16.942  -4.793  -1.676
  295   1HG   GLN  40          HG2       GLN  40 -17.501  -1.804  -1.509
  296   2HG   GLN  40          HG3       GLN  40 -17.023  -2.687  -2.958
  297   1HE2  GLN  40          2HE2      GLN  40 -19.535  -1.093  -2.260
  298   2HE2  GLN  40          1HE2      GLN  40 -20.839  -2.247  -2.562
  299    H    GLY  41           H        GLY  41 -15.883  -4.072   2.233
  300   1HA   GLY  41          HA2       GLY  41 -15.115  -5.695   3.674
  301   2HA   GLY  41          HA3       GLY  41 -16.040  -6.923   2.790
  302    H    GLN  42           H        GLN  42 -13.909  -4.948   0.842
  303    HA   GLN  42           HA       GLN  42 -12.649  -7.190  -0.242
  304   1HB   GLN  42          HB2       GLN  42 -12.841  -4.572  -0.905
  305   2HB   GLN  42          HB3       GLN  42 -11.183  -4.566  -0.328
  306   1HG   GLN  42          HG2       GLN  42 -12.395  -6.239  -2.566
  307   2HG   GLN  42          HG3       GLN  42 -11.298  -4.874  -2.726
  308   1HE2  GLN  42          1HE2      GLN  42 -11.464  -8.254  -2.652
  309   2HE2  GLN  42          2HE2      GLN  42  -9.739  -8.497  -2.721
  310    H    ALA  43           H        ALA  43 -11.633  -5.332   2.556
  311    HA   ALA  43           HA       ALA  43  -8.942  -6.215   2.889
  312   1HB   ALA  43          HB1       ALA  43 -11.132  -5.534   4.912
  313   2HB   ALA  43          HB2       ALA  43  -9.402  -5.662   5.263
  314   3HB   ALA  43          HB3       ALA  43  -9.991  -4.382   4.187
  315    H    LEU  44           H        LEU  44 -12.011  -7.862   3.479
  316    HA   LEU  44           HA       LEU  44 -10.867  -9.941   5.200
  317   1HB   LEU  44          HB2       LEU  44 -13.675  -9.697   4.074
  318   2HB   LEU  44          HB3       LEU  44 -13.158 -10.617   5.490
  319    HG   LEU  44           HG       LEU  44 -13.294  -7.566   5.291
  320   1HD1  LEU  44          1HD1      LEU  44 -15.017  -9.560   6.808
  321   2HD1  LEU  44          2HD1      LEU  44 -15.133  -7.783   6.864
  322   3HD1  LEU  44          3HD1      LEU  44 -15.508  -8.638   5.368
  323   1HD2  LEU  44          1HD2      LEU  44 -12.650  -9.361   7.668
  324   2HD2  LEU  44          2HD2      LEU  44 -11.490  -8.304   6.836
  325   3HD2  LEU  44          3HD2      LEU  44 -12.865  -7.610   7.720
  326    H    GLU  45           H        GLU  45 -11.331  -9.467   1.827
  327    HA   GLU  45           HA       GLU  45 -11.876 -12.243   1.134
  328   1HB   GLU  45          HB2       GLU  45 -10.896  -9.917  -0.579
  329   2HB   GLU  45          HB3       GLU  45 -11.342 -11.516  -1.190
  330   1HG   GLU  45          HG2       GLU  45 -13.642 -11.175  -0.183
  331   2HG   GLU  45          HG3       GLU  45 -13.196  -9.489   0.087
  332    HA   PRO  46           HA       PRO  46  -7.531 -13.526   0.921
  333   1HB   PRO  46          HB2       PRO  46  -7.733 -15.825  -0.529
  334   2HB   PRO  46          HB3       PRO  46  -8.328 -15.695   1.159
  335   1HG   PRO  46          HG2       PRO  46  -9.946 -15.401  -1.400
  336   2HG   PRO  46          HG3       PRO  46 -10.318 -16.426   0.018
  337   1HD   PRO  46          HD2       PRO  46 -11.402 -13.937  -0.299
  338   2HD   PRO  46          HD3       PRO  46 -10.954 -14.551   1.326
  339    H    LYS  47           H        LYS  47  -9.500 -12.526  -1.662
  340    HA   LYS  47           HA       LYS  47  -7.169 -11.641  -3.167
  341   1HB   LYS  47          HB2       LYS  47  -7.560 -12.574  -5.195
  342   2HB   LYS  47          HB3       LYS  47  -7.942 -13.901  -4.145
  343   1HG   LYS  47          HG2       LYS  47  -9.828 -12.164  -5.763
  344   2HG   LYS  47          HG3       LYS  47  -9.460 -13.855  -5.998
  345   1HD   LYS  47          HD2       LYS  47 -10.850 -14.601  -4.322
  346   2HD   LYS  47          HD3       LYS  47 -10.798 -13.098  -3.396
  347   1HE   LYS  47          HE2       LYS  47 -12.079 -13.242  -6.128
  348   2HE   LYS  47          HE3       LYS  47 -12.974 -13.608  -4.649
  349   1HZ   LYS  47          HZ1       LYS  47 -11.486 -11.114  -4.642
  350   2HZ   LYS  47          HZ2       LYS  47 -12.865 -11.129  -5.557
  351   3HZ   LYS  47          HZ3       LYS  47 -12.881 -11.439  -3.968
  352    HT1  PRO  48           H2       PRO  48  14.831  -4.029 -12.140
  353    HT2  PRO  48           H3       PRO  48  14.603  -5.252 -13.240
  354    HA   PRO  48           HA       PRO  48  12.817  -4.929 -11.380
  355   1HB   PRO  48          HB2       PRO  48  11.134  -3.223 -12.766
  356   2HB   PRO  48          HB3       PRO  48  12.283  -2.658 -11.522
  357   1HG   PRO  48          HG2       PRO  48  12.378  -2.122 -14.381
  358   2HG   PRO  48          HG3       PRO  48  13.430  -1.495 -13.098
  359   1HD   PRO  48          HD2       PRO  48  13.780  -3.886 -14.853
  360   2HD   PRO  48          HD3       PRO  48  15.036  -2.857 -14.132
  361    H    ASN  49           H        ASN  49  12.746  -7.005 -11.980
  362    HA   ASN  49           HA       ASN  49  11.203  -7.973 -14.214
  363   1HB   ASN  49          HB2       ASN  49  13.169  -9.163 -15.294
  364   2HB   ASN  49          HB3       ASN  49  13.054  -7.424 -15.605
  365   1HD2  ASN  49          2HD2      ASN  49  15.286  -9.873 -14.647
  366   2HD2  ASN  49          1HD2      ASN  49  16.457  -8.729 -13.980
  367    H    ARG  50           H        ARG  50  14.051  -9.195 -12.332
  368    HA   ARG  50           HA       ARG  50  12.764 -11.647 -11.431
  369   1HB   ARG  50          HB2       ARG  50  15.061 -11.869 -11.306
  370   2HB   ARG  50          HB3       ARG  50  15.347 -10.164 -11.035
  371   1HG   ARG  50          HG2       ARG  50  16.196 -11.485  -9.226
  372   2HG   ARG  50          HG3       ARG  50  14.980 -10.359  -8.653
  373   1HD   ARG  50          HD2       ARG  50  13.361 -12.225  -8.472
  374   2HD   ARG  50          HD3       ARG  50  14.545 -13.333  -9.155
  375    HE   ARG  50           HE       ARG  50  15.483 -11.895  -6.740
  376   1HH1  ARG  50          1HH1      ARG  50  13.302 -14.334  -6.951
  377   2HH1  ARG  50          2HH1      ARG  50  14.179 -15.550  -6.073
  378   1HH2  ARG  50          1HH2      ARG  50  16.251 -12.965  -5.243
  379   2HH2  ARG  50          2HH2      ARG  50  15.909 -14.656  -4.877
  380    H    SER  51           H        SER  51  13.746  -8.835  -9.465
  381    HA   SER  51           HA       SER  51  11.154  -8.940  -8.031
  382   1HB   SER  51          HB2       SER  51  12.561  -6.745  -7.068
  383   2HB   SER  51          HB3       SER  51  12.433  -8.309  -6.295
  384    HG   SER  51           HG       SER  51  14.462  -8.565  -6.590
  385    H    ILE  52           H        ILE  52   9.639  -7.407  -8.479
  386    HA   ILE  52           HA       ILE  52   9.931  -6.050 -11.060
  387    HB   ILE  52           HB       ILE  52   7.411  -6.088  -9.355
  388   1HG1  ILE  52          2HG1      ILE  52   6.832  -8.126 -10.919
  389   2HG1  ILE  52          3HG1      ILE  52   8.574  -8.363 -11.002
  390   1HG2  ILE  52          1HG2      ILE  52   7.427  -4.634 -11.344
  391   2HG2  ILE  52          2HG2      ILE  52   7.960  -5.986 -12.359
  392   3HG2  ILE  52          3HG2      ILE  52   6.349  -6.000 -11.590
  393   1HD1  ILE  52          1HD1      ILE  52   7.414  -9.777  -9.307
  394   2HD1  ILE  52          2HD1      ILE  52   8.683  -8.812  -8.607
  395   3HD1  ILE  52          3HD1      ILE  52   6.985  -8.301  -8.388
  396    H    SER  53           H        SER  53   9.738  -5.151  -7.684
  397    HA   SER  53           HA       SER  53   9.544  -2.252  -8.215
  398   1HB   SER  53          HB2       SER  53   9.280  -2.378  -5.589
  399   2HB   SER  53          HB3       SER  53   7.970  -2.842  -6.653
  400    HG   SER  53           HG       SER  53   9.439  -4.377  -4.927
  401    HA   PRO  54           HA       PRO  54  13.839  -2.950  -6.015
  402   1HB   PRO  54          HB2       PRO  54  15.785  -3.589  -7.771
  403   2HB   PRO  54          HB3       PRO  54  14.728  -4.826  -7.024
  404   1HG   PRO  54          HG2       PRO  54  14.383  -3.476  -9.736
  405   2HG   PRO  54          HG3       PRO  54  14.395  -5.244  -9.365
  406   1HD   PRO  54          HD2       PRO  54  12.079  -3.869  -9.573
  407   2HD   PRO  54          HD3       PRO  54  12.293  -5.106  -8.277
  408    H    SER  55           H        SER  55  12.863  -1.236  -8.866
  409    HA   SER  55           HA       SER  55  14.814   0.949  -8.516
  410   1HB   SER  55          HB2       SER  55  13.300   1.942 -10.332
  411   2HB   SER  55          HB3       SER  55  14.180   0.472 -10.791
  412    HG   SER  55           HG       SER  55  11.862   0.557 -11.318
  413    H    ALA  56           H        ALA  56  11.285   0.417  -8.273
  414    HA   ALA  56           HA       ALA  56  10.541   2.770  -6.910
  415   1HB   ALA  56          HB1       ALA  56   8.992   1.149  -7.977
  416   2HB   ALA  56          HB2       ALA  56   9.385  -0.051  -6.726
  417   3HB   ALA  56          HB3       ALA  56   8.539   1.439  -6.282
  418    H    LEU  57           H        LEU  57  12.100  -0.127  -5.698
  419    HA   LEU  57           HA       LEU  57  11.940   0.219  -2.921
  420   1HB   LEU  57          HB2       LEU  57  12.982  -1.740  -3.970
  421   2HB   LEU  57          HB3       LEU  57  14.195  -0.707  -4.731
  422    HG   LEU  57           HG       LEU  57  15.251  -0.234  -2.569
  423   1HD1  LEU  57          1HD1      LEU  57  13.339  -0.498  -1.053
  424   2HD1  LEU  57          2HD1      LEU  57  13.236  -2.226  -1.434
  425   3HD1  LEU  57          3HD1      LEU  57  14.670  -1.574  -0.599
  426   1HD2  LEU  57          1HD2      LEU  57  16.197  -2.492  -2.307
  427   2HD2  LEU  57          2HD2      LEU  57  14.829  -3.182  -3.230
  428   3HD2  LEU  57          3HD2      LEU  57  15.999  -2.082  -4.003
  429    H    GLN  58           H        GLN  58  13.817   2.122  -5.286
  430    HA   GLN  58           HA       GLN  58  14.883   3.829  -3.091
  431   1HB   GLN  58          HB2       GLN  58  15.297   3.903  -6.115
  432   2HB   GLN  58          HB3       GLN  58  15.891   5.107  -4.979
  433   1HG   GLN  58          HG2       GLN  58  17.714   3.628  -5.431
  434   2HG   GLN  58          HG3       GLN  58  17.195   3.325  -3.774
  435   1HE2  GLN  58          2HE2      GLN  58  16.216   2.113  -7.075
  436   2HE2  GLN  58          1HE2      GLN  58  16.195   0.437  -6.507
  437    H    ASP  59           H        ASP  59  12.940   4.183  -6.120
  438    HA   ASP  59           HA       ASP  59  12.238   6.803  -5.247
  439   1HB   ASP  59          HB2       ASP  59  12.512   5.726  -7.706
  440   2HB   ASP  59          HB3       ASP  59  10.767   5.723  -7.588
  441    H    LEU  60           H        LEU  60  10.181   3.889  -5.034
  442    HA   LEU  60           HA       LEU  60   7.812   5.562  -4.497
  443   1HB   LEU  60          HB2       LEU  60   7.558   3.453  -5.636
  444   2HB   LEU  60          HB3       LEU  60   8.196   2.578  -4.243
  445    HG   LEU  60           HG       LEU  60   6.270   3.064  -2.915
  446   1HD1  LEU  60          1HD1      LEU  60   5.781   5.409  -3.396
  447   2HD1  LEU  60          2HD1      LEU  60   5.335   5.014  -5.073
  448   3HD1  LEU  60          3HD1      LEU  60   4.355   4.423  -3.715
  449   1HD2  LEU  60          1HD2      LEU  60   5.994   1.317  -4.618
  450   2HD2  LEU  60          2HD2      LEU  60   4.461   2.183  -4.389
  451   3HD2  LEU  60          3HD2      LEU  60   5.467   2.522  -5.807
  452    H    LEU  61           H        LEU  61  10.300   3.657  -2.854
  453    HA   LEU  61           HA       LEU  61   9.463   4.001  -0.167
  454   1HB   LEU  61          HB2       LEU  61  11.276   2.457  -1.122
  455   2HB   LEU  61          HB3       LEU  61  12.329   3.870  -1.180
  456    HG   LEU  61           HG       LEU  61  12.058   4.129   1.306
  457   1HD1  LEU  61          1HD1      LEU  61  11.261   1.976   2.508
  458   2HD1  LEU  61          2HD1      LEU  61  10.008   2.983   1.780
  459   3HD1  LEU  61          3HD1      LEU  61  10.553   1.496   0.966
  460   1HD2  LEU  61          1HD2      LEU  61  13.092   1.401   0.426
  461   2HD2  LEU  61          2HD2      LEU  61  14.019   2.907   0.362
  462   3HD2  LEU  61          3HD2      LEU  61  13.518   2.229   1.926
  463    H    ARG  62           H        ARG  62  11.928   6.035  -1.934
  464    HA   ARG  62           HA       ARG  62  11.835   8.082   0.075
  465   1HB   ARG  62          HB2       ARG  62  13.165   9.433  -1.308
  466   2HB   ARG  62          HB3       ARG  62  13.712   7.783  -1.488
  467   1HG   ARG  62          HG2       ARG  62  13.630   8.099  -3.713
  468   2HG   ARG  62          HG3       ARG  62  11.875   8.033  -3.543
  469   1HD   ARG  62          HD2       ARG  62  12.197  10.638  -2.983
  470   2HD   ARG  62          HD3       ARG  62  13.670  10.416  -3.915
  471    HE   ARG  62           HE       ARG  62  12.229   9.513  -5.785
  472   1HH1  ARG  62          1HH2      ARG  62  10.601  11.563  -3.434
  473   2HH1  ARG  62          2HH2      ARG  62   9.130  11.576  -4.339
  474   1HH2  ARG  62          2HH1      ARG  62  10.338   9.605  -6.933
  475   2HH2  ARG  62          1HH1      ARG  62   8.988  10.390  -6.193
  476    H    THR  63           H        THR  63   9.688   7.552  -2.701
  477    HA   THR  63           HA       THR  63   8.306  10.045  -2.579
  478    HB   THR  63           HB       THR  63   7.514   7.281  -3.524
  479    HG1  THR  63           HG1      THR  63   8.815   8.146  -4.816
  480   1HG2  THR  63          1HG2      THR  63   5.341   8.180  -3.049
  481   2HG2  THR  63          2HG2      THR  63   5.821   9.782  -3.691
  482   3HG2  THR  63          3HG2      THR  63   5.631   8.396  -4.788
  483    H    LEU  64           H        LEU  64   8.072   7.352  -0.351
  484    HA   LEU  64           HA       LEU  64   6.001   9.028   1.030
  485   1HB   LEU  64          HB2       LEU  64   5.751   6.293   0.303
  486   2HB   LEU  64          HB3       LEU  64   6.100   6.304   2.013
  487    HG   LEU  64           HG       LEU  64   4.229   8.250   2.059
  488   1HD1  LEU  64          1HD1      LEU  64   2.517   7.977   0.356
  489   2HD1  LEU  64          2HD1      LEU  64   4.045   8.383  -0.442
  490   3HD1  LEU  64          3HD1      LEU  64   3.434   6.707  -0.460
  491   1HD2  LEU  64          1HD2      LEU  64   3.811   5.258   1.844
  492   2HD2  LEU  64          2HD2      LEU  64   3.876   6.284   3.284
  493   3HD2  LEU  64          3HD2      LEU  64   2.465   6.368   2.218
  494    H    LYS  65           H        LYS  65   9.141   7.566   1.438
  495    HA   LYS  65           HA       LYS  65   9.363   8.187   4.238
  496   1HB   LYS  65          HB2       LYS  65  11.443   7.849   2.048
  497   2HB   LYS  65          HB3       LYS  65  11.886   8.393   3.657
  498   1HG   LYS  65          HG2       LYS  65  10.705   6.316   4.581
  499   2HG   LYS  65          HG3       LYS  65  10.570   5.759   2.902
  500   1HD   LYS  65          HD2       LYS  65  13.063   5.895   2.700
  501   2HD   LYS  65          HD3       LYS  65  13.161   6.406   4.390
  502   1HE   LYS  65          HE2       LYS  65  11.973   3.786   3.400
  503   2HE   LYS  65          HE3       LYS  65  13.619   3.969   4.019
  504   1HZ   LYS  65          HZ1       LYS  65  12.663   4.649   6.151
  505   2HZ   LYS  65          HZ2       LYS  65  11.135   4.477   5.547
  506   3HZ   LYS  65          HZ3       LYS  65  12.094   3.167   5.729
  507    H    SER  66           H        SER  66   9.776  10.136   1.244
  508    HA   SER  66           HA       SER  66  10.113  12.589   2.881
  509   1HB   SER  66          HB2       SER  66  10.000  13.840   0.799
  510   2HB   SER  66          HB3       SER  66  11.313  12.671   0.812
  511    HG   SER  66           HG       SER  66   9.920  11.321  -0.467
  512    HA   PRO  67           HA       PRO  67   5.881  11.671   3.693
  513   1HB   PRO  67          HB2       PRO  67   5.670  14.582   4.497
  514   2HB   PRO  67          HB3       PRO  67   5.048  13.141   5.361
  515   1HG   PRO  67          HG2       PRO  67   7.364  14.327   6.135
  516   2HG   PRO  67          HG3       PRO  67   7.273  12.534   6.041
  517   1HD   PRO  67          HD2       PRO  67   8.463  14.468   4.045
  518   2HD   PRO  67          HD3       PRO  67   9.100  12.914   4.658
  519    H    SER  68           H        SER  68   3.861  11.751   2.960
  520    HA   SER  68           HA       SER  68   3.207  12.770   0.442
  521   1HB   SER  68          HB2       SER  68   1.325  11.863   2.622
  522   2HB   SER  68          HB3       SER  68   0.956  11.990   0.891
  523    HG   SER  68           HG       SER  68   2.662  10.472   0.519
  524    H    SER  69           H        SER  69   3.987  15.011   2.220
  525    HA   SER  69           HA       SER  69   1.591  16.764   1.929
  526   1HB   SER  69          HB2       SER  69   2.440  17.055   4.136
  527   2HB   SER  69          HB3       SER  69   4.108  17.204   3.571
  528    HG   SER  69           HG       SER  69   1.954  19.015   3.178
  529    HA   PRO  70           HA       PRO  70   4.619  18.548  -1.248
  530   1HB   PRO  70          HB2       PRO  70   7.230  17.710  -1.424
  531   2HB   PRO  70          HB3       PRO  70   6.710  19.076  -0.391
  532   1HG   PRO  70          HG2       PRO  70   7.164  16.196   0.428
  533   2HG   PRO  70          HG3       PRO  70   7.804  17.681   1.202
  534   1HD   PRO  70          HD2       PRO  70   5.568  16.464   2.150
  535   2HD   PRO  70          HD3       PRO  70   5.654  18.249   2.075
  536    H    GLN  71           H        GLN  71   4.984  15.194  -0.232
  537    HA   GLN  71           HA       GLN  71   4.684  14.191  -3.002
  538   1HB   GLN  71          HB2       GLN  71   5.222  12.743  -0.386
  539   2HB   GLN  71          HB3       GLN  71   5.042  11.973  -1.966
  540   1HG   GLN  71          HG2       GLN  71   7.194  13.990  -1.212
  541   2HG   GLN  71          HG3       GLN  71   7.383  12.246  -1.355
  542   1HE2  GLN  71          1HE2      GLN  71   6.633  15.222  -3.369
  543   2HE2  GLN  71          2HE2      GLN  71   7.283  14.431  -4.806
  544    H    GLN  72           H        GLN  72   2.394  15.697  -1.626
  545    HA   GLN  72           HA       GLN  72   0.397  13.756  -1.006
  546   1HB   GLN  72          HB2       GLN  72  -1.193  15.602  -1.174
  547   2HB   GLN  72          HB3       GLN  72   0.253  16.138  -0.346
  548   1HG   GLN  72          HG2       GLN  72   1.061  17.135  -2.544
  549   2HG   GLN  72          HG3       GLN  72  -0.533  16.739  -3.224
  550   1HE2  GLN  72          2HE2      GLN  72   1.095  18.554  -0.610
  551   2HE2  GLN  72          1HE2      GLN  72  -0.178  19.801  -0.512
  552    H    GLN  73           H        GLN  73   1.603  14.600  -4.105
  553    HA   GLN  73           HA       GLN  73  -0.894  14.246  -5.541
  554   1HB   GLN  73          HB2       GLN  73   1.906  14.329  -6.749
  555   2HB   GLN  73          HB3       GLN  73   0.381  14.646  -7.529
  556   1HG   GLN  73          HG2       GLN  73   1.297  16.745  -7.272
  557   2HG   GLN  73          HG3       GLN  73   0.082  16.657  -6.002
  558   1HE2  GLN  73          2HE2      GLN  73   3.218  14.953  -5.249
  559   2HE2  GLN  73          1HE2      GLN  73   3.724  16.320  -4.280
  560    H    GLN  74           H        GLN  74  -1.006  12.890  -7.459
  561    HA   GLN  74           HA       GLN  74  -0.900  10.120  -7.187
  562   1HB   GLN  74          HB2       GLN  74  -0.960  11.939  -9.633
  563   2HB   GLN  74          HB3       GLN  74  -1.125  10.204  -9.724
  564   1HG   GLN  74          HG2       GLN  74  -3.315  11.129  -9.807
  565   2HG   GLN  74          HG3       GLN  74  -3.124  10.253  -8.297
  566   1HE2  GLN  74          2HE2      GLN  74  -4.993  11.445  -7.419
  567   2HE2  GLN  74          1HE2      GLN  74  -4.739  13.074  -6.864
  568    H    GLN  75           H        GLN  75   1.945  11.868  -7.224
  569    HA   GLN  75           HA       GLN  75   3.512  10.162  -8.941
  570   1HB   GLN  75          HB2       GLN  75   5.371  11.231  -8.264
  571   2HB   GLN  75          HB3       GLN  75   4.173  12.485  -7.974
  572   1HG   GLN  75          HG2       GLN  75   5.510  10.689  -5.894
  573   2HG   GLN  75          HG3       GLN  75   5.886  12.366  -6.219
  574   1HE2  GLN  75          2HE2      GLN  75   4.183  10.354  -4.131
  575   2HE2  GLN  75          1HE2      GLN  75   3.124  11.574  -3.469
  576    H    VAL  76           H        VAL  76   2.121   9.665  -5.785
  577    HA   VAL  76           HA       VAL  76   3.754   7.289  -5.208
  578    HB   VAL  76           HB       VAL  76   0.844   7.490  -4.341
  579   1HG1  VAL  76          1HG1      VAL  76   1.653   6.308  -2.390
  580   2HG1  VAL  76          2HG1      VAL  76   2.251   5.477  -3.840
  581   3HG1  VAL  76          3HG1      VAL  76   3.333   6.541  -2.907
  582   1HG2  VAL  76          1HG2      VAL  76   1.588   9.677  -3.686
  583   2HG2  VAL  76          2HG2      VAL  76   1.348   8.616  -2.301
  584   3HG2  VAL  76          3HG2      VAL  76   3.011   8.970  -2.839
  585    H    LEU  77           H        LEU  77   0.565   7.906  -6.614
  586    HA   LEU  77           HA       LEU  77  -0.124   5.276  -7.152
  587   1HB   LEU  77          HB2       LEU  77  -1.329   7.791  -7.349
  588   2HB   LEU  77          HB3       LEU  77  -1.323   7.226  -9.010
  589    HG   LEU  77           HG       LEU  77  -2.316   5.562  -6.639
  590   1HD1  LEU  77          1HD1      LEU  77  -3.964   7.248  -8.568
  591   2HD1  LEU  77          2HD1      LEU  77  -4.579   6.146  -7.308
  592   3HD1  LEU  77          3HD1      LEU  77  -3.691   7.589  -6.844
  593   1HD2  LEU  77          1HD2      LEU  77  -3.498   4.268  -8.379
  594   2HD2  LEU  77          2HD2      LEU  77  -2.675   5.235  -9.634
  595   3HD2  LEU  77          3HD2      LEU  77  -1.743   4.174  -8.542
  596    H    ASN  78           H        ASN  78   1.582   7.612  -9.171
  597    HA   ASN  78           HA       ASN  78   1.788   6.015 -11.514
  598   1HB   ASN  78          HB2       ASN  78   2.062   8.528 -11.303
  599   2HB   ASN  78          HB3       ASN  78   3.652   8.253 -10.578
  600   1HD2  ASN  78          1HD2      ASN  78   4.976   9.111 -12.244
  601   2HD2  ASN  78          2HD2      ASN  78   4.893   8.486 -13.895
  602    H    ILE  79           H        ILE  79   3.857   5.974  -8.577
  603    HA   ILE  79           HA       ILE  79   5.672   4.087 -10.003
  604    HB   ILE  79           HB       ILE  79   5.953   4.938  -7.136
  605   1HG1  ILE  79          2HG1      ILE  79   7.667   6.118  -9.338
  606   2HG1  ILE  79          3HG1      ILE  79   6.118   6.887  -8.964
  607   1HG2  ILE  79          1HG2      ILE  79   7.830   3.713  -9.240
  608   2HG2  ILE  79          2HG2      ILE  79   8.333   4.205  -7.611
  609   3HG2  ILE  79          3HG2      ILE  79   7.158   2.891  -7.825
  610   1HD1  ILE  79          1HD1      ILE  79   7.850   7.975  -7.690
  611   2HD1  ILE  79          2HD1      ILE  79   6.806   7.065  -6.574
  612   3HD1  ILE  79          3HD1      ILE  79   8.400   6.424  -7.021
  613    H    LEU  80           H        LEU  80   3.207   4.127  -7.459
  614    HA   LEU  80           HA       LEU  80   3.111   1.655  -6.341
  615   1HB   LEU  80          HB2       LEU  80   1.158   3.719  -7.221
  616   2HB   LEU  80          HB3       LEU  80   0.435   2.158  -7.032
  617    HG   LEU  80           HG       LEU  80   2.071   3.406  -4.791
  618   1HD1  LEU  80          1HD1      LEU  80  -0.909   3.734  -5.310
  619   2HD1  LEU  80          2HD1      LEU  80  -0.158   3.990  -3.735
  620   3HD1  LEU  80          3HD1      LEU  80   0.301   5.024  -5.087
  621   1HD2  LEU  80          1HD2      LEU  80  -0.216   1.367  -4.858
  622   2HD2  LEU  80          2HD2      LEU  80   1.508   0.953  -4.682
  623   3HD2  LEU  80          3HD2      LEU  80   0.666   1.904  -3.427
  624    H    LYS  81           H        LYS  81   1.709   2.475  -9.499
  625    HA   LYS  81           HA       LYS  81   0.611  -0.025 -10.088
  626   1HB   LYS  81          HB2       LYS  81   0.285   0.795 -12.297
  627   2HB   LYS  81          HB3       LYS  81   0.134   2.159 -11.190
  628   1HG   LYS  81          HG2       LYS  81   2.608   2.692 -11.750
  629   2HG   LYS  81          HG3       LYS  81   2.481   1.450 -13.004
  630   1HD   LYS  81          HD2       LYS  81   0.417   2.749 -13.849
  631   2HD   LYS  81          HD3       LYS  81   0.984   4.080 -12.845
  632   1HE   LYS  81          HE2       LYS  81   2.669   2.673 -14.974
  633   2HE   LYS  81          HE3       LYS  81   1.680   4.066 -15.325
  634   1HZ   LYS  81          HZ1       LYS  81   3.719   4.217 -13.193
  635   2HZ   LYS  81          HZ2       LYS  81   4.116   4.469 -14.774
  636   3HZ   LYS  81          HZ3       LYS  81   3.053   5.429 -13.995
  637    H    SER  82           H        SER  82   3.959   0.684 -10.161
  638    HA   SER  82           HA       SER  82   4.784  -0.870 -12.430
  639   1HB   SER  82          HB2       SER  82   7.070  -0.652 -11.466
  640   2HB   SER  82          HB3       SER  82   6.195   0.899 -11.504
  641    HG   SER  82           HG       SER  82   5.903   0.779  -9.331
  642    H    ASN  83           H        ASN  83   4.981  -1.757  -8.976
  643    HA   ASN  83           HA       ASN  83   5.275  -4.601  -9.795
  644   1HB   ASN  83          HB2       ASN  83   6.845  -3.934  -8.156
  645   2HB   ASN  83          HB3       ASN  83   5.591  -3.362  -7.058
  646   1HD2  ASN  83          2HD2      ASN  83   7.581  -5.434  -6.428
  647   2HD2  ASN  83          1HD2      ASN  83   6.638  -6.955  -6.357
  648    HA   PRO  84           HA       PRO  84   0.784  -4.338  -9.550
  649   1HB   PRO  84          HB2       PRO  84   0.863  -7.254 -10.221
  650   2HB   PRO  84          HB3       PRO  84   0.020  -5.918 -11.061
  651   1HG   PRO  84          HG2       PRO  84   2.262  -7.013 -12.141
  652   2HG   PRO  84          HG3       PRO  84   2.010  -5.243 -12.191
  653   1HD   PRO  84          HD2       PRO  84   3.656  -6.816 -10.156
  654   2HD   PRO  84          HD3       PRO  84   4.122  -5.418 -11.148
  655    H    GLN  85           H        GLN  85   2.738  -6.813  -7.946
  656    HA   GLN  85           HA       GLN  85   0.660  -7.705  -6.089
  657   1HB   GLN  85          HB2       GLN  85   3.697  -8.092  -6.076
  658   2HB   GLN  85          HB3       GLN  85   2.579  -8.807  -4.896
  659   1HG   GLN  85          HG2       GLN  85   1.456 -10.080  -6.550
  660   2HG   GLN  85          HG3       GLN  85   2.312  -9.298  -7.878
  661   1HE2  GLN  85          2HE2      GLN  85   4.691  -9.528  -7.980
  662   2HE2  GLN  85          1HE2      GLN  85   5.352 -11.070  -7.480
  663    H    LEU  86           H        LEU  86   3.361  -5.394  -6.021
  664    HA   LEU  86           HA       LEU  86   2.930  -4.494  -3.302
  665   1HB   LEU  86          HB2       LEU  86   4.978  -3.944  -4.544
  666   2HB   LEU  86          HB3       LEU  86   4.029  -2.963  -5.663
  667    HG   LEU  86           HG       LEU  86   5.416  -1.816  -3.872
  668   1HD1  LEU  86          1HD1      LEU  86   3.967   0.053  -3.709
  669   2HD1  LEU  86          2HD1      LEU  86   3.690  -0.689  -5.293
  670   3HD1  LEU  86          3HD1      LEU  86   2.521  -0.924  -3.960
  671   1HD2  LEU  86          1HD2      LEU  86   4.385  -1.327  -1.715
  672   2HD2  LEU  86          2HD2      LEU  86   3.048  -2.407  -2.032
  673   3HD2  LEU  86          3HD2      LEU  86   4.694  -3.069  -1.855
  674    H    MET  87           H        MET  87   1.604  -3.325  -6.442
  675    HA   MET  87           HA       MET  87  -0.112  -1.388  -5.331
  676   1HB   MET  87          HB2       MET  87   0.416  -2.379  -7.896
  677   2HB   MET  87          HB3       MET  87  -1.285  -2.784  -7.664
  678   1HG   MET  87          HG2       MET  87  -0.021  -0.066  -7.188
  679   2HG   MET  87          HG3       MET  87  -0.898  -0.515  -8.649
  680   1HE   MET  87          HE1       MET  87  -1.601   1.726  -8.104
  681   2HE   MET  87          HE2       MET  87  -3.249   1.965  -7.496
  682   3HE   MET  87          HE3       MET  87  -1.878   2.131  -6.377
  683    H    ALA  88           H        ALA  88  -0.943  -4.838  -6.034
  684    HA   ALA  88           HA       ALA  88  -3.516  -4.646  -4.820
  685   1HB   ALA  88          HB1       ALA  88  -1.687  -7.070  -5.149
  686   2HB   ALA  88          HB2       ALA  88  -3.435  -7.131  -4.836
  687   3HB   ALA  88          HB3       ALA  88  -2.827  -6.449  -6.360
  688    H    ALA  89           H        ALA  89  -0.347  -5.564  -3.351
  689    HA   ALA  89           HA       ALA  89  -1.370  -6.122  -0.754
  690   1HB   ALA  89          HB1       ALA  89   0.896  -6.811  -1.450
  691   2HB   ALA  89          HB2       ALA  89   1.383  -5.109  -1.605
  692   3HB   ALA  89          HB3       ALA  89   0.958  -5.767  -0.014
  693    H    PHE  90           H        PHE  90  -0.305  -3.022  -2.217
  694    HA   PHE  90           HA       PHE  90  -0.722  -1.371   0.042
  695   1HB   PHE  90          HB2       PHE  90   0.350  -0.446  -1.888
  696   2HB   PHE  90          HB3       PHE  90  -0.964  -0.866  -2.954
  697    HD1  PHE  90           HD1      PHE  90  -2.938   0.686  -3.285
  698    HD2  PHE  90           HD2      PHE  90  -0.006   1.451  -0.195
  699    HE1  PHE  90           HE1      PHE  90  -3.752   2.967  -3.044
  700    HE2  PHE  90           HE2      PHE  90  -0.717   3.796  -0.147
  701    HZ   PHE  90           HZ       PHE  90  -2.627   4.564  -1.524
  702    H    ILE  91           H        ILE  91  -3.001  -2.100  -2.713
  703    HA   ILE  91           HA       ILE  91  -5.199  -0.803  -1.574
  704    HB   ILE  91           HB       ILE  91  -5.119  -3.076  -3.560
  705   1HG1  ILE  91          2HG1      ILE  91  -5.501  -0.054  -3.747
  706   2HG1  ILE  91          3HG1      ILE  91  -4.026  -0.916  -4.150
  707   1HG2  ILE  91          1HG2      ILE  91  -7.524  -1.361  -2.729
  708   2HG2  ILE  91          2HG2      ILE  91  -7.471  -2.450  -4.131
  709   3HG2  ILE  91          3HG2      ILE  91  -7.355  -3.116  -2.516
  710   1HD1  ILE  91          1HD1      ILE  91  -5.293  -2.082  -6.001
  711   2HD1  ILE  91          2HD1      ILE  91  -6.656  -0.953  -5.642
  712   3HD1  ILE  91          3HD1      ILE  91  -5.092  -0.320  -6.139
  713    H    LYS  92           H        LYS  92  -4.318  -4.254  -1.224
  714    HA   LYS  92           HA       LYS  92  -6.433  -5.047   0.453
  715   1HB   LYS  92          HB2       LYS  92  -4.800  -6.567  -0.710
  716   2HB   LYS  92          HB3       LYS  92  -3.559  -6.048   0.405
  717   1HG   LYS  92          HG2       LYS  92  -4.423  -8.178   1.129
  718   2HG   LYS  92          HG3       LYS  92  -4.881  -6.965   2.314
  719   1HD   LYS  92          HD2       LYS  92  -6.674  -8.593   1.890
  720   2HD   LYS  92          HD3       LYS  92  -7.187  -6.962   1.468
  721   1HE   LYS  92          HE2       LYS  92  -6.812  -7.414  -0.917
  722   2HE   LYS  92          HE3       LYS  92  -6.139  -9.001  -0.542
  723   1HZ   LYS  92          HZ1       LYS  92  -8.378  -9.125  -1.258
  724   2HZ   LYS  92          HZ2       LYS  92  -8.309  -9.665   0.284
  725   3HZ   LYS  92          HZ3       LYS  92  -8.942  -8.183  -0.059
  726    H    GLN  93           H        GLN  93  -3.078  -4.000   1.529
  727    HA   GLN  93           HA       GLN  93  -3.931  -4.134   4.251
  728   1HB   GLN  93          HB2       GLN  93  -1.503  -4.240   3.170
  729   2HB   GLN  93          HB3       GLN  93  -1.515  -2.522   3.536
  730   1HG   GLN  93          HG2       GLN  93  -1.904  -4.884   5.444
  731   2HG   GLN  93          HG3       GLN  93  -0.500  -3.831   5.363
  732   1HE2  GLN  93          2HE2      GLN  93  -0.797  -1.503   6.176
  733   2HE2  GLN  93          1HE2      GLN  93  -2.072  -1.271   7.370
  734    H    ARG  94           H        ARG  94  -3.847  -1.425   1.882
  735    HA   ARG  94           HA       ARG  94  -4.467   0.699   3.672
  736   1HB   ARG  94          HB2       ARG  94  -5.403   0.219   0.808
  737   2HB   ARG  94          HB3       ARG  94  -5.770   1.673   1.719
  738   1HG   ARG  94          HG2       ARG  94  -3.043   0.822   0.693
  739   2HG   ARG  94          HG3       ARG  94  -4.045   2.167   0.166
  740   1HD   ARG  94          HD2       ARG  94  -2.617   1.753   2.781
  741   2HD   ARG  94          HD3       ARG  94  -2.163   2.917   1.545
  742    HE   ARG  94           HE       ARG  94  -4.548   3.884   1.996
  743   1HH1  ARG  94          1HH1      ARG  94  -2.225   2.875   4.346
  744   2HH1  ARG  94          2HH1      ARG  94  -2.856   3.901   5.628
  745   1HH2  ARG  94          1HH2      ARG  94  -5.260   5.272   3.530
  746   2HH2  ARG  94          2HH2      ARG  94  -4.560   5.354   5.138
  747    H    THR  95           H        THR  95  -6.661  -1.494   1.874
  748    HA   THR  95           HA       THR  95  -9.043  -0.642   3.193
  749    HB   THR  95           HB       THR  95  -8.821  -3.510   2.306
  750    HG1  THR  95           HG1      THR  95  -7.870  -2.303   0.559
  751   1HG2  THR  95          1HG2      THR  95 -10.973  -2.500   3.184
  752   2HG2  THR  95          2HG2      THR  95 -10.872  -1.306   1.872
  753   3HG2  THR  95          3HG2      THR  95 -11.093  -3.025   1.489
  754    H    ALA  96           H        ALA  96  -6.779  -3.302   4.075
  755    HA   ALA  96           HA       ALA  96  -8.138  -4.235   6.367
  756   1HB   ALA  96          HB1       ALA  96  -6.080  -5.233   6.997
  757   2HB   ALA  96          HB2       ALA  96  -6.263  -5.389   5.240
  758   3HB   ALA  96          HB3       ALA  96  -5.157  -4.169   5.921
  759    H    LYS  97           H        LYS  97  -5.628  -1.625   6.201
  760    HA   LYS  97           HA       LYS  97  -5.673  -0.914   8.939
  761   1HB   LYS  97          HB2       LYS  97  -4.094   0.497   8.333
  762   2HB   LYS  97          HB3       LYS  97  -4.253  -0.100   6.701
  763   1HG   LYS  97          HG2       LYS  97  -4.347   2.167   6.373
  764   2HG   LYS  97          HG3       LYS  97  -6.044   1.754   6.354
  765   1HD   LYS  97          HD2       LYS  97  -5.694   2.246   9.024
  766   2HD   LYS  97          HD3       LYS  97  -4.405   3.245   8.397
  767   1HE   LYS  97          HE2       LYS  97  -6.037   4.359   6.848
  768   2HE   LYS  97          HE3       LYS  97  -7.345   3.404   7.564
  769   1HZ   LYS  97          HZ1       LYS  97  -6.714   4.410   9.711
  770   2HZ   LYS  97          HZ2       LYS  97  -5.595   5.331   8.948
  771   3HZ   LYS  97          HZ3       LYS  97  -7.168   5.568   8.610
  772    H    TYR  98           H        TYR  98  -7.789   0.128   6.282
  773    HA   TYR  98           HA       TYR  98  -9.305   1.964   7.890
  774   1HB   TYR  98          HB2       TYR  98  -9.894   0.519   5.299
  775   2HB   TYR  98          HB3       TYR  98 -11.091   1.531   6.120
  776    HD1  TYR  98           HD1      TYR  98  -9.997   3.880   6.958
  777    HD2  TYR  98           HD2      TYR  98  -8.892   1.540   3.531
  778    HE1  TYR  98           HE1      TYR  98  -9.211   5.949   5.809
  779    HE2  TYR  98           HE2      TYR  98  -8.240   3.553   2.301
  780    HH   TYR  98           HH       TYR  98  -7.432   5.860   2.868
  781    H    VAL  99           H        VAL  99 -10.167  -1.477   6.943
  782    HA   VAL  99           HA       VAL  99 -12.527  -1.388   8.570
  783    HB   VAL  99           HB       VAL  99 -12.614  -3.809   8.490
  784   1HG1  VAL  99          1HG1      VAL  99 -13.434  -2.533   6.577
  785   2HG1  VAL  99          2HG1      VAL  99 -11.818  -2.520   5.824
  786   3HG1  VAL  99          3HG1      VAL  99 -12.724  -4.044   6.022
  787   1HG2  VAL  99          1HG2      VAL  99  -9.966  -3.690   7.031
  788   2HG2  VAL  99          2HG2      VAL  99 -10.158  -4.307   8.695
  789   3HG2  VAL  99          3HG2      VAL  99 -10.947  -5.153   7.363
  790    H    ALA 100           H        ALA 100  -9.155  -2.058   9.471
  791    HA   ALA 100           HA       ALA 100  -9.756  -2.709  12.212
  792   1HB   ALA 100          HB1       ALA 100  -7.652  -3.320  11.008
  793   2HB   ALA 100          HB2       ALA 100  -7.218  -1.597  10.927
  794   3HB   ALA 100          HB3       ALA 100  -7.328  -2.410  12.498
  795    H    ASN 101           H        ASN 101 -10.406   0.162  10.738
  796    HA   ASN 101           HA       ASN 101 -10.052   1.785  13.239
  797   1HB   ASN 101          HB2       ASN 101  -9.579   2.539  10.321
  798   2HB   ASN 101          HB3       ASN 101  -9.762   3.736  11.595
  799   1HD2  ASN 101          1HD2      ASN 101  -7.970   1.125  12.973
  800   2HD2  ASN 101          2HD2      ASN 101  -6.409   1.883  12.612
  801    H    GLN 102           H        GLN 102 -11.921   1.385  10.283
  802    HA   GLN 102           HA       GLN 102 -14.409   2.479  11.462
  803   1HB   GLN 102          HB2       GLN 102 -13.098   3.427   8.871
  804   2HB   GLN 102          HB3       GLN 102 -14.718   3.846   9.399
  805   1HG   GLN 102          HG2       GLN 102 -12.181   4.629  10.899
  806   2HG   GLN 102          HG3       GLN 102 -13.018   5.626   9.723
  807   1HE2  GLN 102          1HE2      GLN 102 -13.418   4.133  13.011
  808   2HE2  GLN 102          2HE2      GLN 102 -14.699   5.276  13.443
  809    HA   PRO 103           HA       PRO 103 -14.791  -1.335   8.754
  810   1HB   PRO 103          HB2       PRO 103 -16.070  -3.030  10.503
  811   2HB   PRO 103          HB3       PRO 103 -14.304  -2.799  10.476
  812   1HG   PRO 103          HG2       PRO 103 -16.347  -1.533  12.302
  813   2HG   PRO 103          HG3       PRO 103 -14.751  -2.236  12.734
  814   1HD   PRO 103          HD2       PRO 103 -15.136   0.461  12.415
  815   2HD   PRO 103          HD3       PRO 103 -13.602  -0.323  12.003
  816    H    GLY 104           H        GLY 104 -17.232   0.173  10.802
  817   1HA   GLY 104          HA2       GLY 104 -19.475   0.698  10.484
  818   2HA   GLY 104          HA3       GLY 104 -19.298   0.339   8.769
  819    H    MET 105           H        MET 105 -19.079  -2.006   8.288
  820    HA   MET 105           HA       MET 105 -20.355  -3.909  10.107
  821   1HB   MET 105          HB2       MET 105 -22.133  -4.606   8.773
  822   2HB   MET 105          HB3       MET 105 -22.236  -2.849   8.826
  823   1HG   MET 105          HG2       MET 105 -21.168  -4.517   6.516
  824   2HG   MET 105          HG3       MET 105 -22.782  -3.840   6.642
  825   1HE   MET 105          HE1       MET 105 -21.348  -1.819   3.687
  826   2HE   MET 105          HE2       MET 105 -21.049  -3.525   4.076
  827   3HE   MET 105          HE3       MET 105 -22.680  -2.822   4.296
  828    H    GLN 106           H        GLN 106 -17.745  -3.376   8.209
  829    HA   GLN 106           HA       GLN 106 -17.286  -6.271   7.776
  830   1HB   GLN 106          HB2       GLN 106 -16.747  -4.029   5.780
  831   2HB   GLN 106          HB3       GLN 106 -16.060  -5.643   5.678
  832   1HG   GLN 106          HG2       GLN 106 -19.054  -5.041   5.574
  833   2HG   GLN 106          HG3       GLN 106 -18.005  -5.282   4.175
  834   1HE2  GLN 106          2HE2      GLN 106 -19.369  -6.999   7.062
  835   2HE2  GLN 106          1HE2      GLN 106 -19.113  -8.585   6.287
  Start of MODEL    2
    1   1H    GLU   1          H1        GLU   1  15.960 -10.352  -7.008
    2   2H    GLU   1          H2        GLU   1  17.425 -10.281  -7.742
    3   3H    GLU   1          H3        GLU   1  16.586  -8.899  -7.401
    4    HA   GLU   1           HA       GLU   1  14.894  -9.479  -8.961
    5   1HB   GLU   1          HB2       GLU   1  17.732  -9.108  -9.787
    6   2HB   GLU   1          HB3       GLU   1  16.710  -9.772 -11.025
    7   1HG   GLU   1          HG2       GLU   1  15.757  -7.399  -9.441
    8   2HG   GLU   1          HG3       GLU   1  16.817  -7.199 -10.842
    9    H    GLY   2           H        GLY   2  14.608 -11.735  -7.561
   10   1HA   GLY   2          HA2       GLY   2  14.276 -13.687  -9.791
   11   2HA   GLY   2          HA3       GLY   2  14.791 -14.154  -8.169
   12    H    GLN   3           H        GLN   3  12.528 -11.609  -7.922
   13    HA   GLN   3           HA       GLN   3  10.423 -11.439  -7.216
   14   1HB   GLN   3          HB2       GLN   3   9.934 -12.919  -9.249
   15   2HB   GLN   3          HB3       GLN   3   9.704 -14.233  -8.092
   16   1HG   GLN   3          HG2       GLN   3   7.922 -12.967  -6.959
   17   2HG   GLN   3          HG3       GLN   3   8.189 -11.598  -8.037
   18   1HE2  GLN   3          2HE2      GLN   3   5.562 -12.909  -7.796
   19   2HE2  GLN   3          1HE2      GLN   3   5.337 -13.750  -9.320
   20    H    SER   4           H        SER   4  12.397 -14.053  -6.220
   21    HA   SER   4           HA       SER   4  11.201 -14.842  -3.745
   22   1HB   SER   4          HB2       SER   4  13.654 -15.583  -3.410
   23   2HB   SER   4          HB3       SER   4  12.759 -16.297  -4.789
   24    HG   SER   4           HG       SER   4  14.876 -15.568  -5.326
   25    H    ASP   5           H        ASP   5  13.980 -12.597  -4.516
   26    HA   ASP   5           HA       ASP   5  14.276 -11.673  -1.841
   27   1HB   ASP   5          HB2       ASP   5  15.551  -9.832  -3.012
   28   2HB   ASP   5          HB3       ASP   5  16.077 -11.475  -3.371
   29    H    GLU   6           H        GLU   6  12.300 -10.649  -4.536
   30    HA   GLU   6           HA       GLU   6  11.319  -8.166  -3.816
   31   1HB   GLU   6          HB2       GLU   6  10.829  -9.886  -5.788
   32   2HB   GLU   6          HB3       GLU   6   9.387 -10.240  -4.824
   33   1HG   GLU   6          HG2       GLU   6  10.214  -7.484  -5.833
   34   2HG   GLU   6          HG3       GLU   6   9.148  -8.556  -6.684
   35    H    ARG   7           H        ARG   7  10.300 -11.321  -2.351
   36    HA   ARG   7           HA       ARG   7   7.989 -10.236  -1.129
   37   1HB   ARG   7          HB2       ARG   7   9.224 -12.764  -1.144
   38   2HB   ARG   7          HB3       ARG   7   9.250 -12.324   0.550
   39   1HG   ARG   7          HG2       ARG   7   6.845 -12.427  -1.305
   40   2HG   ARG   7          HG3       ARG   7   7.218 -13.557  -0.018
   41   1HD   ARG   7          HD2       ARG   7   6.418 -10.632   0.345
   42   2HD   ARG   7          HD3       ARG   7   5.362 -12.014   0.569
   43    HE   ARG   7           HE       ARG   7   7.147 -10.872   2.470
   44   1HH1  ARG   7          2HH2      ARG   7   5.970 -14.067   1.648
   45   2HH1  ARG   7          1HH2      ARG   7   6.037 -14.587   3.327
   46   1HH2  ARG   7          1HH1      ARG   7   7.133 -11.480   4.370
   47   2HH2  ARG   7          2HH1      ARG   7   6.773 -13.105   4.956
   48    H    ALA   8           H        ALA   8  11.341 -10.032  -0.015
   49    HA   ALA   8           HA       ALA   8  10.601  -8.858   2.584
   50   1HB   ALA   8          HB1       ALA   8  13.283  -8.925   1.097
   51   2HB   ALA   8          HB2       ALA   8  13.017  -8.471   2.795
   52   3HB   ALA   8          HB3       ALA   8  12.723 -10.137   2.262
   53    H    LEU   9           H        LEU   9  11.678  -7.668  -0.602
   54    HA   LEU   9           HA       LEU   9  11.827  -4.883   0.070
   55   1HB   LEU   9          HB2       LEU   9  10.984  -5.856  -2.661
   56   2HB   LEU   9          HB3       LEU   9  11.939  -4.440  -2.256
   57    HG   LEU   9           HG       LEU   9  12.821  -7.334  -2.095
   58   1HD1  LEU   9          1HD1      LEU   9  12.477  -6.443  -4.438
   59   2HD1  LEU   9          2HD1      LEU   9  13.857  -5.366  -4.122
   60   3HD1  LEU   9          3HD1      LEU   9  14.060  -7.136  -4.034
   61   1HD2  LEU   9          1HD2      LEU   9  14.029  -6.010  -0.454
   62   2HD2  LEU   9          2HD2      LEU   9  15.101  -6.483  -1.781
   63   3HD2  LEU   9          3HD2      LEU   9  14.481  -4.820  -1.703
   64    H    LEU  10           H        LEU  10   9.247  -6.926  -1.152
   65    HA   LEU  10           HA       LEU  10   7.081  -5.160  -1.475
   66   1HB   LEU  10          HB2       LEU  10   7.313  -7.447  -2.418
   67   2HB   LEU  10          HB3       LEU  10   7.303  -8.131  -0.801
   68    HG   LEU  10           HG       LEU  10   4.947  -7.465  -0.512
   69   1HD1  LEU  10          1HD1      LEU  10   3.670  -6.796  -2.533
   70   2HD1  LEU  10          2HD1      LEU  10   4.852  -5.557  -2.068
   71   3HD1  LEU  10          3HD1      LEU  10   5.197  -6.640  -3.441
   72   1HD2  LEU  10          1HD2      LEU  10   4.001  -9.106  -2.110
   73   2HD2  LEU  10          2HD2      LEU  10   5.519  -9.093  -3.025
   74   3HD2  LEU  10          3HD2      LEU  10   5.493  -9.717  -1.364
   75    H    ASP  11           H        ASP  11   7.974  -7.316   1.270
   76    HA   ASP  11           HA       ASP  11   5.944  -6.405   3.023
   77   1HB   ASP  11          HB2       ASP  11   8.640  -7.726   3.473
   78   2HB   ASP  11          HB3       ASP  11   7.678  -7.182   4.835
   79    H    GLN  12           H        GLN  12   9.345  -5.180   2.835
   80    HA   GLN  12           HA       GLN  12   8.695  -3.119   4.721
   81   1HB   GLN  12          HB2       GLN  12  10.844  -2.158   4.313
   82   2HB   GLN  12          HB3       GLN  12  10.965  -3.905   4.422
   83   1HG   GLN  12          HG2       GLN  12  12.421  -3.494   2.753
   84   2HG   GLN  12          HG3       GLN  12  10.982  -3.921   1.851
   85   1HE2  GLN  12          2HE2      GLN  12  10.454  -2.484   0.162
   86   2HE2  GLN  12          1HE2      GLN  12  11.132  -0.850   0.112
   87    H    LEU  13           H        LEU  13   8.377  -3.125   1.142
   88    HA   LEU  13           HA       LEU  13   7.689  -0.326   1.157
   89   1HB   LEU  13          HB2       LEU  13   7.758  -2.441  -0.949
   90   2HB   LEU  13          HB3       LEU  13   6.519  -1.224  -1.147
   91    HG   LEU  13           HG       LEU  13   9.394  -0.404  -0.673
   92   1HD1  LEU  13          1HD1      LEU  13   9.540   0.020  -3.054
   93   2HD1  LEU  13          2HD1      LEU  13   9.325  -1.712  -2.745
   94   3HD1  LEU  13          3HD1      LEU  13   7.954  -0.733  -3.334
   95   1HD2  LEU  13          1HD2      LEU  13   7.701   1.288  -0.187
   96   2HD2  LEU  13          2HD2      LEU  13   8.666   1.697  -1.614
   97   3HD2  LEU  13          3HD2      LEU  13   7.004   1.067  -1.814
   98    H    HIS  14           H        HIS  14   5.618  -3.309   1.357
   99    HA   HIS  14           HA       HIS  14   3.243  -1.641   1.205
  100   1HB   HIS  14          HB2       HIS  14   1.894  -3.475   1.483
  101   2HB   HIS  14          HB3       HIS  14   3.236  -4.034   0.498
  102    HD2  HIS  14           HD2      HIS  14   3.885  -6.439   1.117
  103    HE1  HIS  14           HE1      HIS  14   3.115  -6.381   5.297
  104    HE2  HIS  14           HE2      HIS  14   4.090  -7.743   3.373
  105    H    THR  15           H        THR  15   5.255  -2.780   3.841
  106    HA   THR  15           HA       THR  15   3.630  -1.762   5.995
  107    HB   THR  15           HB       THR  15   6.685  -1.732   5.916
  108    HG1  THR  15           HG1      THR  15   6.034  -3.822   5.443
  109   1HG2  THR  15          1HG2      THR  15   4.687  -2.041   8.204
  110   2HG2  THR  15          2HG2      THR  15   6.461  -2.088   8.348
  111   3HG2  THR  15          3HG2      THR  15   5.651  -0.587   7.861
  112    H    LEU  16           H        LEU  16   6.337  -0.117   4.192
  113    HA   LEU  16           HA       LEU  16   5.872   2.471   5.213
  114   1HB   LEU  16          HB2       LEU  16   7.799   1.857   3.725
  115   2HB   LEU  16          HB3       LEU  16   6.697   1.533   2.423
  116    HG   LEU  16           HG       LEU  16   5.962   4.108   2.826
  117   1HD1  LEU  16          1HD1      LEU  16   7.485   4.548   4.664
  118   2HD1  LEU  16          2HD1      LEU  16   8.884   4.020   3.675
  119   3HD1  LEU  16          3HD1      LEU  16   7.973   5.473   3.228
  120   1HD2  LEU  16          1HD2      LEU  16   6.562   3.328   0.702
  121   2HD2  LEU  16          2HD2      LEU  16   7.633   4.687   1.007
  122   3HD2  LEU  16          3HD2      LEU  16   8.242   3.025   1.192
  123    H    LEU  17           H        LEU  17   4.410   1.017   2.288
  124    HA   LEU  17           HA       LEU  17   2.812   3.340   1.816
  125   1HB   LEU  17          HB2       LEU  17   3.849   1.304   0.327
  126   2HB   LEU  17          HB3       LEU  17   2.186   0.776   0.395
  127    HG   LEU  17           HG       LEU  17   1.560   2.893  -0.794
  128   1HD1  LEU  17          1HD1      LEU  17   4.377   3.713  -0.113
  129   2HD1  LEU  17          2HD1      LEU  17   3.605   4.330  -1.577
  130   3HD1  LEU  17          3HD1      LEU  17   2.817   4.609  -0.021
  131   1HD2  LEU  17          1HD2      LEU  17   4.120   1.722  -1.950
  132   2HD2  LEU  17          2HD2      LEU  17   2.520   0.958  -2.074
  133   3HD2  LEU  17          3HD2      LEU  17   2.815   2.544  -2.834
  134    H    SER  18           H        SER  18   2.227   1.052   4.126
  135    HA   SER  18           HA       SER  18  -0.621   1.929   4.254
  136   1HB   SER  18          HB2       SER  18  -1.410  -0.237   4.801
  137   2HB   SER  18          HB3       SER  18  -0.523  -0.340   3.282
  138    HG   SER  18           HG       SER  18   1.223  -1.206   4.401
  139    H    ASN  19           H        ASN  19   2.108   2.275   5.760
  140    HA   ASN  19           HA       ASN  19   2.454   1.407   8.176
  141   1HB   ASN  19          HB2       ASN  19   3.768   3.434   8.545
  142   2HB   ASN  19          HB3       ASN  19   3.839   2.954   6.865
  143   1HD2  ASN  19          2HD2      ASN  19   3.316   4.541   5.361
  144   2HD2  ASN  19          1HD2      ASN  19   2.522   6.066   5.802
  145    H    THR  20           H        THR  20  -0.443   2.872   7.821
  146    HA   THR  20           HA       THR  20  -2.108   3.006   9.479
  147    HB   THR  20           HB       THR  20  -1.874   4.408  11.524
  148    HG1  THR  20           HG1      THR  20   0.834   4.012  11.013
  149   1HG2  THR  20          1HG2      THR  20  -0.900   2.642  12.876
  150   2HG2  THR  20          2HG2      THR  20  -2.023   1.999  11.661
  151   3HG2  THR  20          3HG2      THR  20  -0.263   1.835  11.434
  152    H    ASP  21           H        ASP  21  -0.008   5.604   8.281
  153    HA   ASP  21           HA       ASP  21  -1.810   7.729   8.654
  154   1HB   ASP  21          HB2       ASP  21   0.534   8.029   8.086
  155   2HB   ASP  21          HB3       ASP  21   0.260   7.337   6.489
  156    H    ALA  22           H        ALA  22  -2.862   8.924   7.089
  157    HA   ALA  22           HA       ALA  22  -4.015   7.654   4.682
  158   1HB   ALA  22          HB1       ALA  22  -5.694   7.242   6.442
  159   2HB   ALA  22          HB2       ALA  22  -5.788   8.989   6.758
  160   3HB   ALA  22          HB3       ALA  22  -6.298   8.328   5.186
  161    H    THR  23           H        THR  23  -2.731  10.472   6.239
  162    HA   THR  23           HA       THR  23  -4.091  12.586   5.245
  163    HB   THR  23           HB       THR  23  -1.045  12.441   5.538
  164    HG1  THR  23           HG1      THR  23  -1.778  11.559   7.354
  165   1HG2  THR  23          1HG2      THR  23  -1.836  14.634   4.765
  166   2HG2  THR  23          2HG2      THR  23  -3.015  14.699   6.096
  167   3HG2  THR  23          3HG2      THR  23  -1.270  14.726   6.446
  168    H    GLY  24           H        GLY  24  -1.396  11.074   3.522
  169   1HA   GLY  24          HA2       GLY  24  -2.439  12.257   0.960
  170   2HA   GLY  24          HA3       GLY  24  -0.685  12.141   1.297
  171    H    LEU  25           H        LEU  25  -2.964   9.766   2.308
  172    HA   LEU  25           HA       LEU  25  -2.215   7.894   0.089
  173   1HB   LEU  25          HB2       LEU  25  -2.847   7.340   2.999
  174   2HB   LEU  25          HB3       LEU  25  -2.836   6.093   1.755
  175    HG   LEU  25           HG       LEU  25  -0.380   7.854   1.918
  176   1HD1  LEU  25          1HD1      LEU  25   0.599   6.612   3.750
  177   2HD1  LEU  25          2HD1      LEU  25  -0.871   7.434   4.293
  178   3HD1  LEU  25          3HD1      LEU  25  -0.896   5.685   3.984
  179   1HD2  LEU  25          1HD2      LEU  25   0.751   5.779   1.359
  180   2HD2  LEU  25          2HD2      LEU  25  -0.733   4.859   1.653
  181   3HD2  LEU  25          3HD2      LEU  25  -0.642   5.997   0.281
  182    H    GLU  26           H        GLU  26  -4.789   9.367   2.070
  183    HA   GLU  26           HA       GLU  26  -7.034   8.065   1.215
  184   1HB   GLU  26          HB2       GLU  26  -8.216  10.084   1.917
  185   2HB   GLU  26          HB3       GLU  26  -6.929   9.676   3.024
  186   1HG   GLU  26          HG2       GLU  26  -6.607  11.891   2.981
  187   2HG   GLU  26          HG3       GLU  26  -5.488  11.425   1.716
  188    H    GLU  27           H        GLU  27  -5.394  10.723  -0.555
  189    HA   GLU  27           HA       GLU  27  -7.091  10.792  -2.831
  190   1HB   GLU  27          HB2       GLU  27  -5.391  12.509  -2.393
  191   2HB   GLU  27          HB3       GLU  27  -4.117  11.299  -2.446
  192   1HG   GLU  27          HG2       GLU  27  -4.168  12.706  -4.475
  193   2HG   GLU  27          HG3       GLU  27  -4.364  11.007  -4.829
  194    H    ILE  28           H        ILE  28  -4.159   8.853  -2.288
  195    HA   ILE  28           HA       ILE  28  -4.188   7.552  -4.832
  196    HB   ILE  28           HB       ILE  28  -3.038   6.390  -2.261
  197   1HG1  ILE  28          2HG1      ILE  28  -2.281   8.665  -2.130
  198   2HG1  ILE  28          3HG1      ILE  28  -0.947   7.623  -2.555
  199   1HG2  ILE  28          1HG2      ILE  28  -1.268   5.515  -3.698
  200   2HG2  ILE  28          2HG2      ILE  28  -2.855   5.015  -4.317
  201   3HG2  ILE  28          3HG2      ILE  28  -1.959   6.321  -5.110
  202   1HD1  ILE  28          1HD1      ILE  28  -0.999   8.392  -4.882
  203   2HD1  ILE  28          2HD1      ILE  28  -2.451   9.368  -4.562
  204   3HD1  ILE  28          3HD1      ILE  28  -0.924   9.765  -3.750
  205    H    ASP  29           H        ASP  29  -5.517   6.769  -1.682
  206    HA   ASP  29           HA       ASP  29  -6.523   4.177  -2.194
  207   1HB   ASP  29          HB2       ASP  29  -7.373   6.331  -0.219
  208   2HB   ASP  29          HB3       ASP  29  -7.949   4.684  -0.159
  209    H    ARG  30           H        ARG  30  -8.212   7.438  -2.326
  210    HA   ARG  30           HA       ARG  30 -10.641   6.277  -3.355
  211   1HB   ARG  30          HB2       ARG  30 -11.426   8.470  -3.844
  212   2HB   ARG  30          HB3       ARG  30 -10.646   8.475  -2.255
  213   1HG   ARG  30          HG2       ARG  30  -8.742   9.597  -3.082
  214   2HG   ARG  30          HG3       ARG  30  -9.259   9.471  -4.772
  215   1HD   ARG  30          HD2       ARG  30 -10.948  11.085  -4.510
  216   2HD   ARG  30          HD3       ARG  30 -11.051  10.833  -2.765
  217    HE   ARG  30           HE       ARG  30  -8.757  12.248  -4.113
  218   1HH1  ARG  30          2HH2      ARG  30 -10.490  11.618  -1.111
  219   2HH1  ARG  30          1HH2      ARG  30  -9.302  12.552  -0.226
  220   1HH2  ARG  30          1HH1      ARG  30  -7.490  13.316  -3.019
  221   2HH2  ARG  30          2HH1      ARG  30  -7.525  13.349  -1.273
  222    H    ALA  31           H        ALA  31  -7.761   7.589  -5.061
  223    HA   ALA  31           HA       ALA  31  -8.788   7.318  -7.678
  224   1HB   ALA  31          HB1       ALA  31  -6.742   8.533  -7.141
  225   2HB   ALA  31          HB2       ALA  31  -5.965   7.034  -6.598
  226   3HB   ALA  31          HB3       ALA  31  -6.383   7.264  -8.317
  227    H    LEU  32           H        LEU  32  -7.865   4.827  -5.423
  228    HA   LEU  32           HA       LEU  32  -8.238   2.710  -7.504
  229   1HB   LEU  32          HB2       LEU  32  -6.656   2.756  -4.918
  230   2HB   LEU  32          HB3       LEU  32  -6.934   1.287  -5.863
  231    HG   LEU  32           HG       LEU  32  -5.722   3.768  -7.158
  232   1HD1  LEU  32          1HD1      LEU  32  -4.424   3.320  -5.160
  233   2HD1  LEU  32          2HD1      LEU  32  -4.185   1.624  -5.664
  234   3HD1  LEU  32          3HD1      LEU  32  -3.508   2.981  -6.617
  235   1HD2  LEU  32          1HD2      LEU  32  -6.519   1.803  -8.562
  236   2HD2  LEU  32          2HD2      LEU  32  -4.819   2.247  -8.742
  237   3HD2  LEU  32          3HD2      LEU  32  -5.264   0.835  -7.744
  238    H    GLY  33           H        GLY  33 -10.215   4.292  -5.661
  239   1HA   GLY  33          HA2       GLY  33 -12.296   3.909  -4.851
  240   2HA   GLY  33          HA3       GLY  33 -12.227   2.306  -5.581
  241    H    ILE  34           H        ILE  34  -9.782   2.881  -3.243
  242    HA   ILE  34           HA       ILE  34 -10.432   0.551  -1.830
  243    HB   ILE  34           HB       ILE  34  -8.609   2.790  -0.901
  244   1HG1  ILE  34          2HG1      ILE  34  -8.192   0.266  -2.576
  245   2HG1  ILE  34          3HG1      ILE  34  -7.989   1.936  -3.107
  246   1HG2  ILE  34          1HG2      ILE  34  -7.560   1.146   0.547
  247   2HG2  ILE  34          2HG2      ILE  34  -9.268   1.271   0.954
  248   3HG2  ILE  34          3HG2      ILE  34  -8.705  -0.104  -0.006
  249   1HD1  ILE  34          1HD1      ILE  34  -5.817   1.054  -2.831
  250   2HD1  ILE  34          2HD1      ILE  34  -6.082   2.163  -1.468
  251   3HD1  ILE  34          3HD1      ILE  34  -6.190   0.403  -1.227
  252    HA   PRO  35           HA       PRO  35 -12.567   2.937   1.736
  253   1HB   PRO  35          HB2       PRO  35 -13.727   5.203   0.096
  254   2HB   PRO  35          HB3       PRO  35 -13.382   5.138   1.858
  255   1HG   PRO  35          HG2       PRO  35 -11.590   6.343   0.262
  256   2HG   PRO  35          HG3       PRO  35 -11.004   5.131   1.459
  257   1HD   PRO  35          HD2       PRO  35 -11.579   4.710  -1.483
  258   2HD   PRO  35          HD3       PRO  35 -10.106   4.290  -0.570
  259    H    GLU  36           H        GLU  36 -13.862   2.482  -1.560
  260    HA   GLU  36           HA       GLU  36 -16.523   1.734  -0.524
  261   1HB   GLU  36          HB2       GLU  36 -16.497   2.765  -2.676
  262   2HB   GLU  36          HB3       GLU  36 -15.293   1.644  -3.284
  263   1HG   GLU  36          HG2       GLU  36 -17.511   1.151  -4.164
  264   2HG   GLU  36          HG3       GLU  36 -16.825  -0.195  -3.279
  265    H    LEU  37           H        LEU  37 -13.477   0.183  -1.511
  266    HA   LEU  37           HA       LEU  37 -14.346  -2.551  -1.205
  267   1HB   LEU  37          HB2       LEU  37 -11.543  -1.442  -0.722
  268   2HB   LEU  37          HB3       LEU  37 -11.984  -3.092  -1.062
  269    HG   LEU  37           HG       LEU  37 -12.184  -0.731  -2.981
  270   1HD1  LEU  37          1HD1      LEU  37 -10.389  -1.834  -4.194
  271   2HD1  LEU  37          2HD1      LEU  37  -9.890  -1.590  -2.520
  272   3HD1  LEU  37          3HD1      LEU  37 -10.400  -3.199  -3.045
  273   1HD2  LEU  37          1HD2      LEU  37 -12.747  -2.380  -4.727
  274   2HD2  LEU  37          2HD2      LEU  37 -12.820  -3.666  -3.493
  275   3HD2  LEU  37          3HD2      LEU  37 -13.995  -2.328  -3.475
  276    H    VAL  38           H        VAL  38 -13.032  -0.155   1.059
  277    HA   VAL  38           HA       VAL  38 -13.147  -1.678   3.487
  278    HB   VAL  38           HB       VAL  38 -13.428   1.312   3.012
  279   1HG1  VAL  38          1HG1      VAL  38 -14.318   0.762   5.268
  280   2HG1  VAL  38          2HG1      VAL  38 -12.801  -0.089   5.652
  281   3HG1  VAL  38          3HG1      VAL  38 -12.805   1.653   5.353
  282   1HG2  VAL  38          1HG2      VAL  38 -11.107   1.430   3.631
  283   2HG2  VAL  38          2HG2      VAL  38 -11.052  -0.345   3.911
  284   3HG2  VAL  38          3HG2      VAL  38 -11.253   0.317   2.280
  285    H    ASN  39           H        ASN  39 -15.580   0.651   2.147
  286    HA   ASN  39           HA       ASN  39 -17.650   0.256   3.972
  287   1HB   ASN  39          HB2       ASN  39 -17.636   1.979   2.246
  288   2HB   ASN  39          HB3       ASN  39 -17.720   0.754   0.976
  289   1HD2  ASN  39          2HD2      ASN  39 -19.662   1.245   0.018
  290   2HD2  ASN  39          1HD2      ASN  39 -21.184   1.152   0.915
  291    H    GLN  40           H        GLN  40 -17.136  -1.634   0.951
  292    HA   GLN  40           HA       GLN  40 -19.126  -3.595   1.526
  293   1HB   GLN  40          HB2       GLN  40 -16.710  -3.592  -0.314
  294   2HB   GLN  40          HB3       GLN  40 -17.864  -4.924  -0.226
  295   1HG   GLN  40          HG2       GLN  40 -19.726  -3.385  -0.813
  296   2HG   GLN  40          HG3       GLN  40 -18.587  -2.045  -0.942
  297   1HE2  GLN  40          2HE2      GLN  40 -19.036  -1.704  -3.177
  298   2HE2  GLN  40          1HE2      GLN  40 -18.521  -2.876  -4.403
  299    H    GLY  41           H        GLY  41 -15.995  -3.264   2.964
  300   1HA   GLY  41          HA2       GLY  41 -15.044  -4.540   4.646
  301   2HA   GLY  41          HA3       GLY  41 -16.307  -5.742   4.451
  302    H    GLN  42           H        GLN  42 -14.455  -4.819   1.619
  303    HA   GLN  42           HA       GLN  42 -13.643  -7.532   1.068
  304   1HB   GLN  42          HB2       GLN  42 -13.115  -4.870  -0.292
  305   2HB   GLN  42          HB3       GLN  42 -12.490  -6.410  -0.886
  306   1HG   GLN  42          HG2       GLN  42 -14.915  -7.242  -0.952
  307   2HG   GLN  42          HG3       GLN  42 -15.395  -5.560  -0.690
  308   1HE2  GLN  42          2HE2      GLN  42 -16.344  -5.180  -2.926
  309   2HE2  GLN  42          1HE2      GLN  42 -15.200  -5.260  -4.259
  310    H    ALA  43           H        ALA  43 -12.448  -6.987   3.470
  311    HA   ALA  43           HA       ALA  43  -9.617  -6.163   3.004
  312   1HB   ALA  43          HB1       ALA  43 -11.215  -6.539   5.543
  313   2HB   ALA  43          HB2       ALA  43  -9.553  -5.935   5.437
  314   3HB   ALA  43          HB3       ALA  43 -10.868  -4.988   4.730
  315    H    LEU  44           H        LEU  44 -11.198  -9.157   3.035
  316    HA   LEU  44           HA       LEU  44  -8.936 -10.513   4.493
  317   1HB   LEU  44          HB2       LEU  44 -11.820 -11.379   4.131
  318   2HB   LEU  44          HB3       LEU  44 -10.591 -12.234   5.062
  319    HG   LEU  44           HG       LEU  44 -11.749  -9.485   5.715
  320   1HD1  LEU  44          1HD1      LEU  44 -13.305 -11.371   6.040
  321   2HD1  LEU  44          2HD1      LEU  44 -12.098 -12.206   7.051
  322   3HD1  LEU  44          3HD1      LEU  44 -12.811 -10.659   7.582
  323   1HD2  LEU  44          1HD2      LEU  44  -9.774 -11.198   7.274
  324   2HD2  LEU  44          2HD2      LEU  44  -9.428  -9.629   6.505
  325   3HD2  LEU  44          3HD2      LEU  44 -10.571  -9.718   7.866
  326    H    GLU  45           H        GLU  45 -10.817 -10.539   1.560
  327    HA   GLU  45           HA       GLU  45  -9.902 -13.022   0.478
  328   1HB   GLU  45          HB2       GLU  45 -10.574 -10.610  -1.244
  329   2HB   GLU  45          HB3       GLU  45 -10.925 -12.307  -1.550
  330   1HG   GLU  45          HG2       GLU  45 -13.033 -11.595  -1.040
  331   2HG   GLU  45          HG3       GLU  45 -12.503 -12.063   0.576
  332    HA   PRO  46           HA       PRO  46  -5.764 -12.049  -0.822
  333   1HB   PRO  46          HB2       PRO  46  -5.411 -13.430  -3.206
  334   2HB   PRO  46          HB3       PRO  46  -5.537 -14.165  -1.614
  335   1HG   PRO  46          HG2       PRO  46  -7.732 -13.719  -3.629
  336   2HG   PRO  46          HG3       PRO  46  -7.287 -15.239  -2.787
  337   1HD   PRO  46          HD2       PRO  46  -9.322 -13.734  -1.869
  338   2HD   PRO  46          HD3       PRO  46  -8.148 -14.423  -0.706
  339    H    LYS  47           H        LYS  47  -8.004 -10.190  -2.030
  340    HA   LYS  47           HA       LYS  47  -6.153  -8.515  -3.484
  341   1HB   LYS  47          HB2       LYS  47  -7.316  -8.094  -5.406
  342   2HB   LYS  47          HB3       LYS  47  -7.561  -9.819  -5.252
  343   1HG   LYS  47          HG2       LYS  47  -9.534  -7.636  -4.538
  344   2HG   LYS  47          HG3       LYS  47  -9.541  -8.605  -6.006
  345   1HD   LYS  47          HD2       LYS  47 -10.341 -10.516  -4.976
  346   2HD   LYS  47          HD3       LYS  47  -9.775 -10.085  -3.381
  347   1HE   LYS  47          HE2       LYS  47 -11.966  -8.519  -4.816
  348   2HE   LYS  47          HE3       LYS  47 -12.304  -9.862  -3.720
  349   1HZ   LYS  47          HZ1       LYS  47 -10.549  -7.900  -2.571
  350   2HZ   LYS  47          HZ2       LYS  47 -12.050  -7.315  -2.939
  351   3HZ   LYS  47          HZ3       LYS  47 -11.910  -8.577  -1.967
  352    HT1  PRO  48           H2       PRO  48  14.293  -5.572 -12.772
  353    HT2  PRO  48           H3       PRO  48  13.564  -4.813 -14.015
  354    HA   PRO  48           HA       PRO  48  12.621  -5.207 -11.314
  355   1HB   PRO  48          HB2       PRO  48  11.274  -3.242 -13.117
  356   2HB   PRO  48          HB3       PRO  48  11.239  -3.383 -11.346
  357   1HG   PRO  48          HG2       PRO  48  12.974  -1.776 -12.997
  358   2HG   PRO  48          HG3       PRO  48  13.204  -2.096 -11.248
  359   1HD   PRO  48          HD2       PRO  48  14.852  -3.033 -13.350
  360   2HD   PRO  48          HD3       PRO  48  14.864  -3.600 -11.631
  361    H    ASN  49           H        ASN  49  13.032  -7.285 -13.004
  362    HA   ASN  49           HA       ASN  49  10.492  -7.632 -14.574
  363   1HB   ASN  49          HB2       ASN  49  13.299  -8.533 -15.231
  364   2HB   ASN  49          HB3       ASN  49  11.865  -8.785 -16.238
  365   1HD2  ASN  49          1HD2      ASN  49  11.562  -7.254 -17.868
  366   2HD2  ASN  49          2HD2      ASN  49  12.215  -5.615 -17.752
  367    H    ARG  50           H        ARG  50  12.466  -9.156 -12.169
  368    HA   ARG  50           HA       ARG  50  10.443 -11.314 -12.092
  369   1HB   ARG  50          HB2       ARG  50  13.375 -11.443 -11.187
  370   2HB   ARG  50          HB3       ARG  50  12.191 -12.701 -10.839
  371   1HG   ARG  50          HG2       ARG  50  12.920 -11.832 -13.701
  372   2HG   ARG  50          HG3       ARG  50  13.846 -13.026 -12.816
  373   1HD   ARG  50          HD2       ARG  50  12.288 -14.117 -14.313
  374   2HD   ARG  50          HD3       ARG  50  12.066 -14.544 -12.633
  375    HE   ARG  50           HE       ARG  50  10.303 -12.638 -14.144
  376   1HH1  ARG  50          2HH2      ARG  50  10.634 -14.865 -11.373
  377   2HH1  ARG  50          1HH2      ARG  50   9.004 -14.468 -10.859
  378   1HH2  ARG  50          2HH1      ARG  50   8.204 -12.326 -13.305
  379   2HH2  ARG  50          1HH1      ARG  50   7.766 -13.163 -11.816
  380    H    SER  51           H        SER  51  12.712  -9.455 -10.103
  381    HA   SER  51           HA       SER  51  10.735  -9.203  -7.932
  382   1HB   SER  51          HB2       SER  51  13.506  -7.978  -8.287
  383   2HB   SER  51          HB3       SER  51  12.496  -7.825  -6.847
  384    HG   SER  51           HG       SER  51  13.847  -9.535  -6.470
  385    H    ILE  52           H        ILE  52   9.208  -7.712  -8.291
  386    HA   ILE  52           HA       ILE  52   9.484  -5.848 -10.519
  387    HB   ILE  52           HB       ILE  52   7.059  -5.349  -9.900
  388   1HG1  ILE  52          2HG1      ILE  52   7.321  -6.466  -7.577
  389   2HG1  ILE  52          3HG1      ILE  52   5.809  -6.493  -8.468
  390   1HG2  ILE  52          1HG2      ILE  52   7.684  -6.582 -11.872
  391   2HG2  ILE  52          2HG2      ILE  52   7.961  -8.064 -10.940
  392   3HG2  ILE  52          3HG2      ILE  52   6.318  -7.374 -11.131
  393   1HD1  ILE  52          1HD1      ILE  52   6.076  -8.767  -9.097
  394   2HD1  ILE  52          2HD1      ILE  52   7.772  -8.812  -8.581
  395   3HD1  ILE  52          3HD1      ILE  52   6.501  -8.657  -7.360
  396    H    SER  53           H        SER  53   9.974  -5.527  -7.108
  397    HA   SER  53           HA       SER  53   9.431  -2.625  -7.154
  398   1HB   SER  53          HB2       SER  53   9.724  -2.815  -4.695
  399   2HB   SER  53          HB3       SER  53   8.393  -3.775  -5.342
  400    HG   SER  53           HG       SER  53   9.373  -5.476  -4.634
  401    HA   PRO  54           HA       PRO  54  14.106  -3.032  -5.877
  402   1HB   PRO  54          HB2       PRO  54  15.777  -3.541  -7.978
  403   2HB   PRO  54          HB3       PRO  54  15.015  -4.832  -6.999
  404   1HG   PRO  54          HG2       PRO  54  14.030  -3.666  -9.643
  405   2HG   PRO  54          HG3       PRO  54  14.313  -5.392  -9.242
  406   1HD   PRO  54          HD2       PRO  54  11.854  -4.267  -9.032
  407   2HD   PRO  54          HD3       PRO  54  12.446  -5.427  -7.781
  408    H    SER  55           H        SER  55  12.653  -1.502  -8.671
  409    HA   SER  55           HA       SER  55  14.432   0.841  -8.493
  410   1HB   SER  55          HB2       SER  55  12.669   1.753 -10.173
  411   2HB   SER  55          HB3       SER  55  13.620   0.349 -10.707
  412    HG   SER  55           HG       SER  55  11.219   0.285 -10.982
  413    H    ALA  56           H        ALA  56  11.017   0.021  -7.829
  414    HA   ALA  56           HA       ALA  56  10.235   2.393  -6.557
  415   1HB   ALA  56          HB1       ALA  56   9.355  -0.505  -6.213
  416   2HB   ALA  56          HB2       ALA  56   8.472   0.855  -5.514
  417   3HB   ALA  56          HB3       ALA  56   8.666   0.760  -7.278
  418    H    LEU  57           H        LEU  57  12.026  -0.337  -5.285
  419    HA   LEU  57           HA       LEU  57  12.224   0.256  -2.574
  420   1HB   LEU  57          HB2       LEU  57  13.012  -1.794  -3.719
  421   2HB   LEU  57          HB3       LEU  57  14.222  -0.851  -4.596
  422    HG   LEU  57           HG       LEU  57  15.414  -0.450  -2.397
  423   1HD1  LEU  57          1HD1      LEU  57  14.883  -2.032  -0.560
  424   2HD1  LEU  57          2HD1      LEU  57  13.571  -0.870  -0.838
  425   3HD1  LEU  57          3HD1      LEU  57  13.414  -2.535  -1.433
  426   1HD2  LEU  57          1HD2      LEU  57  16.136  -2.117  -4.034
  427   2HD2  LEU  57          2HD2      LEU  57  16.350  -2.759  -2.408
  428   3HD2  LEU  57          3HD2      LEU  57  14.963  -3.294  -3.391
  429    H    GLN  58           H        GLN  58  13.550   2.095  -5.263
  430    HA   GLN  58           HA       GLN  58  14.924   3.886  -3.312
  431   1HB   GLN  58          HB2       GLN  58  15.163   3.761  -6.325
  432   2HB   GLN  58          HB3       GLN  58  16.037   4.855  -5.240
  433   1HG   GLN  58          HG2       GLN  58  16.307   1.800  -5.269
  434   2HG   GLN  58          HG3       GLN  58  17.407   2.949  -6.012
  435   1HE2  GLN  58          2HE2      GLN  58  16.046   2.135  -2.635
  436   2HE2  GLN  58          1HE2      GLN  58  17.608   2.626  -1.958
  437    H    ASP  59           H        ASP  59  12.842   4.011  -6.240
  438    HA   ASP  59           HA       ASP  59  12.180   6.716  -5.585
  439   1HB   ASP  59          HB2       ASP  59  12.056   5.090  -7.937
  440   2HB   ASP  59          HB3       ASP  59  10.440   5.674  -7.663
  441    H    LEU  60           H        LEU  60  10.279   3.779  -4.950
  442    HA   LEU  60           HA       LEU  60   7.860   5.406  -4.491
  443   1HB   LEU  60          HB2       LEU  60   7.753   3.158  -5.523
  444   2HB   LEU  60          HB3       LEU  60   8.299   2.453  -4.003
  445    HG   LEU  60           HG       LEU  60   6.282   2.971  -2.874
  446   1HD1  LEU  60          1HD1      LEU  60   5.454   4.702  -5.242
  447   2HD1  LEU  60          2HD1      LEU  60   4.398   4.188  -3.913
  448   3HD1  LEU  60          3HD1      LEU  60   5.779   5.236  -3.574
  449   1HD2  LEU  60          1HD2      LEU  60   4.606   1.866  -4.341
  450   2HD2  LEU  60          2HD2      LEU  60   5.636   2.176  -5.754
  451   3HD2  LEU  60          3HD2      LEU  60   6.185   1.079  -4.479
  452    H    LEU  61           H        LEU  61  10.366   3.589  -2.841
  453    HA   LEU  61           HA       LEU  61   9.562   3.975  -0.159
  454   1HB   LEU  61          HB2       LEU  61  11.162   2.286  -1.091
  455   2HB   LEU  61          HB3       LEU  61  12.348   3.544  -1.341
  456    HG   LEU  61           HG       LEU  61  12.472   3.904   1.114
  457   1HD1  LEU  61          1HD1      LEU  61  10.382   1.694   1.242
  458   2HD1  LEU  61          2HD1      LEU  61  11.368   2.170   2.619
  459   3HD1  LEU  61          3HD1      LEU  61  10.277   3.362   1.893
  460   1HD2  LEU  61          1HD2      LEU  61  12.783   1.016   0.185
  461   2HD2  LEU  61          2HD2      LEU  61  14.021   2.297   0.225
  462   3HD2  LEU  61          3HD2      LEU  61  13.392   1.607   1.729
  463    H    ARG  62           H        ARG  62  11.908   6.038  -2.107
  464    HA   ARG  62           HA       ARG  62  12.025   8.027  -0.026
  465   1HB   ARG  62          HB2       ARG  62  13.098   9.446  -1.545
  466   2HB   ARG  62          HB3       ARG  62  13.618   7.824  -1.982
  467   1HG   ARG  62          HG2       ARG  62  11.855   7.844  -3.789
  468   2HG   ARG  62          HG3       ARG  62  11.516   9.532  -3.376
  469   1HD   ARG  62          HD2       ARG  62  13.856  10.137  -3.984
  470   2HD   ARG  62          HD3       ARG  62  14.149   8.450  -4.419
  471    HE   ARG  62           HE       ARG  62  13.016   8.765  -6.412
  472   1HH1  ARG  62          1HH2      ARG  62  12.345  11.622  -4.524
  473   2HH1  ARG  62          2HH2      ARG  62  11.278  12.291  -5.753
  474   1HH2  ARG  62          1HH1      ARG  62  11.455   9.511  -7.774
  475   2HH2  ARG  62          2HH1      ARG  62  10.859  11.133  -7.623
  476    H    THR  63           H        THR  63   9.699   7.471  -2.620
  477    HA   THR  63           HA       THR  63   8.339   9.954  -2.549
  478    HB   THR  63           HB       THR  63   7.613   7.177  -3.480
  479    HG1  THR  63           HG1      THR  63   8.877   8.093  -4.854
  480   1HG2  THR  63          1HG2      THR  63   5.803   9.585  -3.724
  481   2HG2  THR  63          2HG2      THR  63   5.727   8.175  -4.788
  482   3HG2  THR  63          3HG2      THR  63   5.415   7.961  -3.053
  483    H    LEU  64           H        LEU  64   7.969   7.235  -0.366
  484    HA   LEU  64           HA       LEU  64   5.929   8.921   1.045
  485   1HB   LEU  64          HB2       LEU  64   5.642   6.252   0.266
  486   2HB   LEU  64          HB3       LEU  64   6.119   6.142   1.939
  487    HG   LEU  64           HG       LEU  64   4.270   8.059   2.310
  488   1HD1  LEU  64          1HD1      LEU  64   3.784   8.376  -0.099
  489   2HD1  LEU  64          2HD1      LEU  64   3.301   6.682  -0.243
  490   3HD1  LEU  64          3HD1      LEU  64   2.354   7.767   0.782
  491   1HD2  LEU  64          1HD2      LEU  64   3.787   5.104   1.866
  492   2HD2  LEU  64          2HD2      LEU  64   4.161   5.935   3.377
  493   3HD2  LEU  64          3HD2      LEU  64   2.583   6.187   2.608
  494    H    LYS  65           H        LYS  65   9.117   7.647   1.391
  495    HA   LYS  65           HA       LYS  65   9.358   8.162   4.240
  496   1HB   LYS  65          HB2       LYS  65  11.334   8.032   1.942
  497   2HB   LYS  65          HB3       LYS  65  11.847   8.683   3.498
  498   1HG   LYS  65          HG2       LYS  65  11.155   6.634   4.658
  499   2HG   LYS  65          HG3       LYS  65  10.559   5.939   3.140
  500   1HD   LYS  65          HD2       LYS  65  12.854   5.983   2.215
  501   2HD   LYS  65          HD3       LYS  65  13.457   6.712   3.711
  502   1HE   LYS  65          HE2       LYS  65  12.723   4.734   5.002
  503   2HE   LYS  65          HE3       LYS  65  12.021   4.028   3.543
  504   1HZ   LYS  65          HZ1       LYS  65  14.895   4.564   3.968
  505   2HZ   LYS  65          HZ2       LYS  65  14.189   3.092   4.040
  506   3HZ   LYS  65          HZ3       LYS  65  14.251   3.895   2.611
  507    H    SER  66           H        SER  66   9.562  10.182   1.325
  508    HA   SER  66           HA       SER  66   9.821  12.687   2.838
  509   1HB   SER  66          HB2       SER  66   9.053  13.724   0.661
  510   2HB   SER  66          HB3       SER  66  10.597  12.857   0.615
  511    HG   SER  66           HG       SER  66   9.533  11.117  -0.382
  512    HA   PRO  67           HA       PRO  67   5.867  11.828   4.377
  513   1HB   PRO  67          HB2       PRO  67   5.476  14.778   4.941
  514   2HB   PRO  67          HB3       PRO  67   5.267  13.383   6.041
  515   1HG   PRO  67          HG2       PRO  67   7.516  14.907   6.177
  516   2HG   PRO  67          HG3       PRO  67   7.620  13.116   6.287
  517   1HD   PRO  67          HD2       PRO  67   8.109  14.883   3.885
  518   2HD   PRO  67          HD3       PRO  67   9.092  13.523   4.531
  519    H    SER  68           H        SER  68   3.765  11.716   4.166
  520    HA   SER  68           HA       SER  68   2.558  12.055   1.655
  521   1HB   SER  68          HB2       SER  68   0.576  11.219   2.832
  522   2HB   SER  68          HB3       SER  68   2.024  10.295   3.240
  523    HG   SER  68           HG       SER  68   0.836  10.821   5.096
  524    H    SER  69           H        SER  69   2.998  14.452   4.008
  525    HA   SER  69           HA       SER  69   0.668  16.065   3.408
  526   1HB   SER  69          HB2       SER  69   1.743  16.483   5.490
  527   2HB   SER  69          HB3       SER  69   3.318  16.744   4.721
  528    HG   SER  69           HG       SER  69   0.997  18.368   4.452
  529    HA   PRO  70           HA       PRO  70   3.087  18.207  -0.028
  530   1HB   PRO  70          HB2       PRO  70   5.714  17.579  -0.613
  531   2HB   PRO  70          HB3       PRO  70   5.234  18.897   0.489
  532   1HG   PRO  70          HG2       PRO  70   6.051  16.068   1.208
  533   2HG   PRO  70          HG3       PRO  70   6.617  17.598   1.936
  534   1HD   PRO  70          HD2       PRO  70   4.655  16.159   3.129
  535   2HD   PRO  70          HD3       PRO  70   4.551  17.945   3.060
  536    H    GLN  71           H        GLN  71   3.881  14.800   0.627
  537    HA   GLN  71           HA       GLN  71   3.880  14.040  -2.177
  538   1HB   GLN  71          HB2       GLN  71   4.178  12.474   0.425
  539   2HB   GLN  71          HB3       GLN  71   4.244  11.739  -1.167
  540   1HG   GLN  71          HG2       GLN  71   6.064  14.015  -0.257
  541   2HG   GLN  71          HG3       GLN  71   6.475  12.300  -0.236
  542   1HE2  GLN  71          2HE2      GLN  71   6.497  11.127  -2.229
  543   2HE2  GLN  71          1HE2      GLN  71   7.005  12.005  -3.710
  544    H    GLN  72           H        GLN  72   1.366  15.079  -0.855
  545    HA   GLN  72           HA       GLN  72  -0.636  13.270  -0.458
  546   1HB   GLN  72          HB2       GLN  72  -0.300  16.018  -0.551
  547   2HB   GLN  72          HB3       GLN  72  -1.416  15.786  -1.873
  548   1HG   GLN  72          HG2       GLN  72  -1.846  14.752   0.957
  549   2HG   GLN  72          HG3       GLN  72  -2.388  16.323   0.403
  550   1HE2  GLN  72          2HE2      GLN  72  -3.946  13.845   1.359
  551   2HE2  GLN  72          1HE2      GLN  72  -5.137  13.670   0.104
  552    H    GLN  73           H        GLN  73   0.421  14.416  -3.620
  553    HA   GLN  73           HA       GLN  73  -1.988  13.403  -4.956
  554   1HB   GLN  73          HB2       GLN  73  -1.171  14.579  -6.931
  555   2HB   GLN  73          HB3       GLN  73  -1.312  15.606  -5.536
  556   1HG   GLN  73          HG2       GLN  73   1.353  14.420  -6.417
  557   2HG   GLN  73          HG3       GLN  73   0.707  15.921  -7.054
  558   1HE2  GLN  73          2HE2      GLN  73   2.484  14.557  -4.423
  559   2HE2  GLN  73          1HE2      GLN  73   2.499  16.031  -3.452
  560    H    GLN  74           H        GLN  74  -1.374  12.659  -7.365
  561    HA   GLN  74           HA       GLN  74  -1.128   9.866  -7.001
  562   1HB   GLN  74          HB2       GLN  74  -1.092  11.343  -9.641
  563   2HB   GLN  74          HB3       GLN  74  -1.575   9.686  -9.315
  564   1HG   GLN  74          HG2       GLN  74  -3.609  10.799  -9.582
  565   2HG   GLN  74          HG3       GLN  74  -3.450  10.606  -7.833
  566   1HE2  GLN  74          2HE2      GLN  74  -5.006  12.494  -7.478
  567   2HE2  GLN  74          1HE2      GLN  74  -4.374  14.080  -7.852
  568    H    GLN  75           H        GLN  75   1.595  11.676  -6.791
  569    HA   GLN  75           HA       GLN  75   3.285  10.274  -8.703
  570   1HB   GLN  75          HB2       GLN  75   5.053  11.447  -7.956
  571   2HB   GLN  75          HB3       GLN  75   3.755  12.564  -7.585
  572   1HG   GLN  75          HG2       GLN  75   5.241  10.756  -5.618
  573   2HG   GLN  75          HG3       GLN  75   5.452  12.486  -5.813
  574   1HE2  GLN  75          2HE2      GLN  75   4.048  10.270  -3.767
  575   2HE2  GLN  75          1HE2      GLN  75   2.756  11.302  -3.178
  576    H    VAL  76           H        VAL  76   2.022   9.395  -5.589
  577    HA   VAL  76           HA       VAL  76   3.836   7.135  -5.181
  578    HB   VAL  76           HB       VAL  76   0.911   7.060  -4.349
  579   1HG1  VAL  76          1HG1      VAL  76   2.385   5.135  -3.922
  580   2HG1  VAL  76          2HG1      VAL  76   3.471   6.215  -2.978
  581   3HG1  VAL  76          3HG1      VAL  76   1.817   5.880  -2.413
  582   1HG2  VAL  76          1HG2      VAL  76   1.410   8.121  -2.218
  583   2HG2  VAL  76          2HG2      VAL  76   3.007   8.616  -2.809
  584   3HG2  VAL  76          3HG2      VAL  76   1.512   9.263  -3.569
  585    H    LEU  77           H        LEU  77   0.657   7.620  -6.618
  586    HA   LEU  77           HA       LEU  77   0.135   4.973  -7.313
  587   1HB   LEU  77          HB2       LEU  77  -1.255   7.329  -7.241
  588   2HB   LEU  77          HB3       LEU  77  -1.150   7.101  -8.978
  589    HG   LEU  77           HG       LEU  77  -2.094   4.937  -7.013
  590   1HD1  LEU  77          1HD1      LEU  77  -3.736   6.863  -8.717
  591   2HD1  LEU  77          2HD1      LEU  77  -4.376   5.526  -7.733
  592   3HD1  LEU  77          3HD1      LEU  77  -3.590   6.899  -6.946
  593   1HD2  LEU  77          1HD2      LEU  77  -1.372   3.989  -9.124
  594   2HD2  LEU  77          2HD2      LEU  77  -3.138   3.960  -9.044
  595   3HD2  LEU  77          3HD2      LEU  77  -2.322   5.206 -10.034
  596    H    ASN  78           H        ASN  78   1.571   7.625  -9.140
  597    HA   ASN  78           HA       ASN  78   1.947   6.330 -11.606
  598   1HB   ASN  78          HB2       ASN  78   2.080   8.807 -11.134
  599   2HB   ASN  78          HB3       ASN  78   3.616   8.539 -10.309
  600   1HD2  ASN  78          2HD2      ASN  78   5.249   9.322 -11.659
  601   2HD2  ASN  78          1HD2      ASN  78   5.269   8.984 -13.399
  602    H    ILE  79           H        ILE  79   3.945   6.073  -8.643
  603    HA   ILE  79           HA       ILE  79   5.925   4.465 -10.172
  604    HB   ILE  79           HB       ILE  79   5.910   5.216  -7.264
  605   1HG1  ILE  79          2HG1      ILE  79   7.946   6.132  -9.309
  606   2HG1  ILE  79          3HG1      ILE  79   6.420   7.023  -9.176
  607   1HG2  ILE  79          1HG2      ILE  79   7.036   3.045  -7.671
  608   2HG2  ILE  79          2HG2      ILE  79   7.936   3.740  -9.030
  609   3HG2  ILE  79          3HG2      ILE  79   8.267   4.301  -7.394
  610   1HD1  ILE  79          1HD1      ILE  79   8.313   6.508  -6.858
  611   2HD1  ILE  79          2HD1      ILE  79   8.223   8.004  -7.797
  612   3HD1  ILE  79          3HD1      ILE  79   6.821   7.473  -6.825
  613    H    LEU  80           H        LEU  80   3.509   4.033  -7.588
  614    HA   LEU  80           HA       LEU  80   3.497   1.398  -6.890
  615   1HB   LEU  80          HB2       LEU  80   1.440   3.494  -7.465
  616   2HB   LEU  80          HB3       LEU  80   0.803   1.891  -7.347
  617    HG   LEU  80           HG       LEU  80   2.431   3.096  -5.074
  618   1HD1  LEU  80          1HD1      LEU  80   0.202   3.494  -3.980
  619   2HD1  LEU  80          2HD1      LEU  80   0.521   4.575  -5.324
  620   3HD1  LEU  80          3HD1      LEU  80  -0.589   3.204  -5.552
  621   1HD2  LEU  80          1HD2      LEU  80   0.301   0.901  -5.269
  622   2HD2  LEU  80          2HD2      LEU  80   2.060   0.610  -5.063
  623   3HD2  LEU  80          3HD2      LEU  80   1.113   1.433  -3.795
  624    H    LYS  81           H        LYS  81   1.852   2.653  -9.837
  625    HA   LYS  81           HA       LYS  81   0.814   0.199 -10.758
  626   1HB   LYS  81          HB2       LYS  81   0.373   1.318 -12.799
  627   2HB   LYS  81          HB3       LYS  81   0.177   2.499 -11.499
  628   1HG   LYS  81          HG2       LYS  81   2.553   3.307 -12.010
  629   2HG   LYS  81          HG3       LYS  81   2.541   2.209 -13.404
  630   1HD   LYS  81          HD2       LYS  81   0.313   3.417 -14.033
  631   2HD   LYS  81          HD3       LYS  81   0.866   4.699 -12.951
  632   1HE   LYS  81          HE2       LYS  81   2.475   3.530 -15.267
  633   2HE   LYS  81          HE3       LYS  81   1.495   4.984 -15.409
  634   1HZ   LYS  81          HZ1       LYS  81   2.969   6.147 -14.009
  635   2HZ   LYS  81          HZ2       LYS  81   3.649   4.839 -13.385
  636   3HZ   LYS  81          HZ3       LYS  81   3.966   5.266 -14.939
  637    H    SER  82           H        SER  82   4.136   1.153 -10.854
  638    HA   SER  82           HA       SER  82   4.878  -0.704 -13.025
  639   1HB   SER  82          HB2       SER  82   7.129   0.043 -12.679
  640   2HB   SER  82          HB3       SER  82   6.077   1.472 -12.642
  641    HG   SER  82           HG       SER  82   6.226   1.390 -10.345
  642    H    ASN  83           H        ASN  83   4.109  -1.199  -9.748
  643    HA   ASN  83           HA       ASN  83   5.930  -3.561  -9.621
  644   1HB   ASN  83          HB2       ASN  83   5.086  -1.936  -7.208
  645   2HB   ASN  83          HB3       ASN  83   6.490  -3.001  -7.372
  646   1HD2  ASN  83          2HD2      ASN  83   8.085  -2.048  -9.282
  647   2HD2  ASN  83          1HD2      ASN  83   7.986  -0.285  -9.423
  648    HA   PRO  84           HA       PRO  84   1.541  -4.898  -9.911
  649   1HB   PRO  84          HB2       PRO  84   3.171  -7.410 -10.327
  650   2HB   PRO  84          HB3       PRO  84   1.585  -6.961 -11.038
  651   1HG   PRO  84          HG2       PRO  84   3.887  -6.517 -12.420
  652   2HG   PRO  84          HG3       PRO  84   2.587  -5.269 -12.399
  653   1HD   PRO  84          HD2       PRO  84   5.189  -5.294 -10.945
  654   2HD   PRO  84          HD3       PRO  84   4.234  -3.935 -11.595
  655    H    GLN  85           H        GLN  85   3.766  -7.164  -8.126
  656    HA   GLN  85           HA       GLN  85   1.743  -8.064  -6.326
  657   1HB   GLN  85          HB2       GLN  85   4.757  -7.933  -5.921
  658   2HB   GLN  85          HB3       GLN  85   3.642  -8.815  -4.879
  659   1HG   GLN  85          HG2       GLN  85   2.892 -10.149  -6.844
  660   2HG   GLN  85          HG3       GLN  85   4.160  -9.426  -7.827
  661   1HE2  GLN  85          1HE2      GLN  85   6.216  -9.652  -5.297
  662   2HE2  GLN  85          2HE2      GLN  85   6.425 -11.383  -5.308
  663    H    LEU  86           H        LEU  86   4.000  -5.332  -6.032
  664    HA   LEU  86           HA       LEU  86   3.180  -4.703  -3.311
  665   1HB   LEU  86          HB2       LEU  86   5.422  -4.220  -4.132
  666   2HB   LEU  86          HB3       LEU  86   4.792  -3.125  -5.344
  667    HG   LEU  86           HG       LEU  86   5.863  -2.135  -3.298
  668   1HD1  LEU  86          1HD1      LEU  86   3.065  -1.103  -3.813
  669   2HD1  LEU  86          2HD1      LEU  86   4.479  -0.231  -3.212
  670   3HD1  LEU  86          3HD1      LEU  86   4.469  -0.842  -4.876
  671   1HD2  LEU  86          1HD2      LEU  86   4.933  -3.384  -1.464
  672   2HD2  LEU  86          2HD2      LEU  86   4.387  -1.703  -1.320
  673   3HD2  LEU  86          3HD2      LEU  86   3.267  -2.918  -1.899
  674    H    MET  87           H        MET  87   2.168  -3.566  -6.527
  675    HA   MET  87           HA       MET  87   0.338  -1.580  -5.589
  676   1HB   MET  87          HB2       MET  87   1.112  -2.605  -8.086
  677   2HB   MET  87          HB3       MET  87  -0.585  -3.082  -7.963
  678   1HG   MET  87          HG2       MET  87   0.464  -0.276  -7.426
  679   2HG   MET  87          HG3       MET  87  -0.159  -0.795  -8.991
  680   1HE   MET  87          HE1       MET  87  -1.341   1.301  -8.886
  681   2HE   MET  87          HE2       MET  87  -2.928   1.515  -8.118
  682   3HE   MET  87          HE3       MET  87  -1.457   1.817  -7.183
  683    H    ALA  88           H        ALA  88  -0.218  -5.112  -6.228
  684    HA   ALA  88           HA       ALA  88  -2.902  -5.077  -5.229
  685   1HB   ALA  88          HB1       ALA  88  -2.647  -7.515  -5.127
  686   2HB   ALA  88          HB2       ALA  88  -1.956  -6.891  -6.634
  687   3HB   ALA  88          HB3       ALA  88  -0.876  -7.359  -5.298
  688    H    ALA  89           H        ALA  89   0.226  -5.798  -3.527
  689    HA   ALA  89           HA       ALA  89  -0.930  -6.297  -0.998
  690   1HB   ALA  89          HB1       ALA  89   1.409  -6.864  -1.636
  691   2HB   ALA  89          HB2       ALA  89   1.817  -5.131  -1.623
  692   3HB   ALA  89          HB3       ALA  89   1.329  -5.939  -0.124
  693    H    PHE  90           H        PHE  90   0.086  -3.160  -2.445
  694    HA   PHE  90           HA       PHE  90  -0.577  -1.509  -0.224
  695   1HB   PHE  90          HB2       PHE  90   0.648  -0.584  -2.061
  696   2HB   PHE  90          HB3       PHE  90  -0.604  -0.999  -3.223
  697    HD1  PHE  90           HD1      PHE  90   0.126   1.289  -0.274
  698    HD2  PHE  90           HD2      PHE  90  -2.448   0.516  -3.704
  699    HE1  PHE  90           HE1      PHE  90  -0.743   3.537  -0.151
  700    HE2  PHE  90           HE2      PHE  90  -3.435   2.732  -3.395
  701    HZ   PHE  90           HZ       PHE  90  -2.557   4.280  -1.649
  702    H    ILE  91           H        ILE  91  -2.646  -2.345  -3.109
  703    HA   ILE  91           HA       ILE  91  -4.982  -1.178  -2.133
  704    HB   ILE  91           HB       ILE  91  -4.686  -3.623  -3.914
  705   1HG1  ILE  91          2HG1      ILE  91  -5.317  -0.676  -4.441
  706   2HG1  ILE  91          3HG1      ILE  91  -3.774  -1.450  -4.742
  707   1HG2  ILE  91          1HG2      ILE  91  -7.072  -3.251  -4.548
  708   2HG2  ILE  91          2HG2      ILE  91  -6.928  -3.732  -2.877
  709   3HG2  ILE  91          3HG2      ILE  91  -7.212  -2.017  -3.274
  710   1HD1  ILE  91          1HD1      ILE  91  -4.832  -1.264  -6.845
  711   2HD1  ILE  91          2HD1      ILE  91  -4.958  -2.979  -6.399
  712   3HD1  ILE  91          3HD1      ILE  91  -6.364  -1.885  -6.247
  713    H    LYS  92           H        LYS  92  -3.919  -4.565  -1.574
  714    HA   LYS  92           HA       LYS  92  -6.064  -5.320   0.036
  715   1HB   LYS  92          HB2       LYS  92  -4.444  -6.896  -0.985
  716   2HB   LYS  92          HB3       LYS  92  -3.196  -6.327   0.114
  717   1HG   LYS  92          HG2       LYS  92  -3.927  -8.357   1.002
  718   2HG   LYS  92          HG3       LYS  92  -4.671  -7.162   2.054
  719   1HD   LYS  92          HD2       LYS  92  -6.131  -8.388  -0.316
  720   2HD   LYS  92          HD3       LYS  92  -6.070  -9.189   1.249
  721   1HE   LYS  92          HE2       LYS  92  -7.343  -7.520   2.339
  722   2HE   LYS  92          HE3       LYS  92  -7.128  -6.353   1.047
  723   1HZ   LYS  92          HZ1       LYS  92  -8.574  -8.893   0.671
  724   2HZ   LYS  92          HZ2       LYS  92  -9.332  -7.413   0.898
  725   3HZ   LYS  92          HZ3       LYS  92  -8.457  -7.723  -0.405
  726    H    GLN  93           H        GLN  93  -2.766  -4.322   1.190
  727    HA   GLN  93           HA       GLN  93  -3.549  -4.442   3.923
  728   1HB   GLN  93          HB2       GLN  93  -1.120  -4.392   2.692
  729   2HB   GLN  93          HB3       GLN  93  -1.209  -2.732   3.260
  730   1HG   GLN  93          HG2       GLN  93  -1.303  -5.330   4.850
  731   2HG   GLN  93          HG3       GLN  93  -0.081  -4.074   4.925
  732   1HE2  GLN  93          2HE2      GLN  93  -0.769  -1.945   6.010
  733   2HE2  GLN  93          1HE2      GLN  93  -2.054  -2.089   7.231
  734    H    ARG  94           H        ARG  94  -3.536  -1.650   1.593
  735    HA   ARG  94           HA       ARG  94  -4.187   0.371   3.508
  736   1HB   ARG  94          HB2       ARG  94  -5.025   0.011   0.613
  737   2HB   ARG  94          HB3       ARG  94  -5.466   1.429   1.566
  738   1HG   ARG  94          HG2       ARG  94  -2.635   0.586   0.827
  739   2HG   ARG  94          HG3       ARG  94  -3.587   1.884   0.098
  740   1HD   ARG  94          HD2       ARG  94  -2.550   1.680   2.946
  741   2HD   ARG  94          HD3       ARG  94  -1.924   2.732   1.662
  742    HE   ARG  94           HE       ARG  94  -4.373   3.673   1.737
  743   1HH1  ARG  94          2HH1      ARG  94  -2.034   3.151   4.304
  744   2HH1  ARG  94          1HH1      ARG  94  -2.666   4.515   5.241
  745   1HH2  ARG  94          1HH2      ARG  94  -5.093   5.287   3.047
  746   2HH2  ARG  94          2HH2      ARG  94  -4.345   5.634   4.630
  747    H    THR  95           H        THR  95  -6.338  -1.794   1.635
  748    HA   THR  95           HA       THR  95  -8.769  -0.922   2.797
  749    HB   THR  95           HB       THR  95  -8.402  -3.821   1.997
  750    HG1  THR  95           HG1      THR  95  -7.518  -2.598   0.251
  751   1HG2  THR  95          1HG2      THR  95 -10.570  -1.714   1.606
  752   2HG2  THR  95          2HG2      THR  95 -10.703  -3.428   1.151
  753   3HG2  THR  95          3HG2      THR  95 -10.607  -2.968   2.868
  754    H    ALA  96           H        ALA  96  -6.600  -3.604   3.841
  755    HA   ALA  96           HA       ALA  96  -8.030  -4.366   6.157
  756   1HB   ALA  96          HB1       ALA  96  -6.329  -5.758   5.150
  757   2HB   ALA  96          HB2       ALA  96  -5.077  -4.555   5.490
  758   3HB   ALA  96          HB3       ALA  96  -5.883  -5.399   6.831
  759    H    LYS  97           H        LYS  97  -5.308  -2.004   5.905
  760    HA   LYS  97           HA       LYS  97  -5.188  -1.190   8.587
  761   1HB   LYS  97          HB2       LYS  97  -3.558   0.112   7.805
  762   2HB   LYS  97          HB3       LYS  97  -3.947  -0.397   6.182
  763   1HG   LYS  97          HG2       LYS  97  -3.841   1.850   5.954
  764   2HG   LYS  97          HG3       LYS  97  -5.565   1.581   6.047
  765   1HD   LYS  97          HD2       LYS  97  -5.027   2.031   8.696
  766   2HD   LYS  97          HD3       LYS  97  -3.664   2.894   7.955
  767   1HE   LYS  97          HE2       LYS  97  -5.271   4.163   6.535
  768   2HE   LYS  97          HE3       LYS  97  -6.607   3.324   7.331
  769   1HZ   LYS  97          HZ1       LYS  97  -6.302   5.403   8.399
  770   2HZ   LYS  97          HZ2       LYS  97  -5.798   4.304   9.453
  771   3HZ   LYS  97          HZ3       LYS  97  -4.670   5.130   8.660
  772    H    TYR  98           H        TYR  98  -7.321   0.024   5.991
  773    HA   TYR  98           HA       TYR  98  -8.626   1.966   7.652
  774   1HB   TYR  98          HB2       TYR  98  -9.424   0.535   5.121
  775   2HB   TYR  98          HB3       TYR  98 -10.490   1.680   5.936
  776    HD1  TYR  98           HD1      TYR  98  -8.822   3.935   6.698
  777    HD2  TYR  98           HD2      TYR  98  -8.734   1.432   3.198
  778    HE1  TYR  98           HE1      TYR  98  -8.201   5.895   5.330
  779    HE2  TYR  98           HE2      TYR  98  -8.200   3.341   1.795
  780    HH   TYR  98           HH       TYR  98  -7.136   5.774   2.231
  781    H    VAL  99           H        VAL  99  -9.858  -1.387   6.752
  782    HA   VAL  99           HA       VAL  99 -12.238  -0.997   8.201
  783    HB   VAL  99           HB       VAL  99 -12.483  -3.455   8.336
  784   1HG1  VAL  99          1HG1      VAL  99 -13.223  -2.213   6.335
  785   2HG1  VAL  99          2HG1      VAL  99 -11.612  -2.390   5.615
  786   3HG1  VAL  99          3HG1      VAL  99 -12.632  -3.820   5.922
  787   1HG2  VAL  99          1HG2      VAL  99 -10.920  -4.955   7.388
  788   2HG2  VAL  99          2HG2      VAL  99  -9.834  -3.630   6.915
  789   3HG2  VAL  99          3HG2      VAL  99 -10.075  -4.029   8.637
  790    H    ALA 100           H        ALA 100  -9.126  -1.796   9.545
  791    HA   ALA 100           HA       ALA 100 -10.197  -2.205  12.251
  792   1HB   ALA 100          HB1       ALA 100  -7.351  -2.153  11.171
  793   2HB   ALA 100          HB2       ALA 100  -7.840  -2.679  12.797
  794   3HB   ALA 100          HB3       ALA 100  -8.356  -3.604  11.376
  795    H    ASN 101           H        ASN 101  -9.601   0.619  10.581
  796    HA   ASN 101           HA       ASN 101  -8.879   2.137  13.064
  797   1HB   ASN 101          HB2       ASN 101  -6.891   1.438  11.601
  798   2HB   ASN 101          HB3       ASN 101  -7.572   2.453  10.330
  799   1HD2  ASN 101          2HD2      ASN 101  -6.897   2.892  13.890
  800   2HD2  ASN 101          1HD2      ASN 101  -6.021   4.395  13.580
  801    H    GLN 102           H        GLN 102 -10.300   2.263   9.876
  802    HA   GLN 102           HA       GLN 102 -12.115   4.461  10.603
  803   1HB   GLN 102          HB2       GLN 102 -10.533   4.392   7.988
  804   2HB   GLN 102          HB3       GLN 102 -12.027   5.272   8.225
  805   1HG   GLN 102          HG2       GLN 102 -10.452   6.917   8.433
  806   2HG   GLN 102          HG3       GLN 102 -10.864   6.555  10.108
  807   1HE2  GLN 102          1HE2      GLN 102  -9.183   5.737  11.459
  808   2HE2  GLN 102          2HE2      GLN 102  -7.533   5.605  10.883
  809    HA   PRO 103           HA       PRO 103 -13.671   0.409   8.985
  810   1HB   PRO 103          HB2       PRO 103 -15.841   0.056  10.636
  811   2HB   PRO 103          HB3       PRO 103 -14.157  -0.279  11.149
  812   1HG   PRO 103          HG2       PRO 103 -15.758   2.242  11.637
  813   2HG   PRO 103          HG3       PRO 103 -14.834   1.270  12.828
  814   1HD   PRO 103          HD2       PRO 103 -13.760   3.477  11.667
  815   2HD   PRO 103          HD3       PRO 103 -12.754   2.024  11.964
  816    H    GLY 104           H        GLY 104 -15.546  -0.251   7.853
  817   1HA   GLY 104          HA2       GLY 104 -16.933   1.932   6.418
  818   2HA   GLY 104          HA3       GLY 104 -16.930   0.214   6.010
  819    H    MET 105           H        MET 105 -18.120  -1.225   7.534
  820    HA   MET 105           HA       MET 105 -20.342  -0.009   9.051
  821   1HB   MET 105          HB2       MET 105 -22.034  -1.371   7.974
  822   2HB   MET 105          HB3       MET 105 -21.278  -0.270   6.821
  823   1HG   MET 105          HG2       MET 105 -19.930  -2.104   5.901
  824   2HG   MET 105          HG3       MET 105 -20.580  -3.210   7.122
  825   1HE   MET 105          HE1       MET 105 -22.257  -0.510   4.709
  826   2HE   MET 105          HE2       MET 105 -21.132  -1.441   3.685
  827   3HE   MET 105          HE3       MET 105 -22.880  -1.579   3.440
  828    H    GLN 106           H        GLN 106 -17.954  -1.269   9.923
  829    HA   GLN 106           HA       GLN 106 -18.822  -3.659  11.354
  830   1HB   GLN 106          HB2       GLN 106 -16.775  -4.935  10.500
  831   2HB   GLN 106          HB3       GLN 106 -18.140  -4.791   9.430
  832   1HG   GLN 106          HG2       GLN 106 -16.047  -4.565   8.238
  833   2HG   GLN 106          HG3       GLN 106 -17.072  -3.163   8.035
  834   1HE2  GLN 106          2HE2      GLN 106 -15.062  -3.411  11.019
  835   2HE2  GLN 106          1HE2      GLN 106 -13.771  -2.413  10.403
  Start of MODEL    3
    1   1H    GLU   1          H1        GLU   1  17.370  -9.339  -7.574
    2   2H    GLU   1          H2        GLU   1  16.551 -10.607  -6.990
    3   3H    GLU   1          H3        GLU   1  18.034 -10.855  -7.651
    4    HA   GLU   1           HA       GLU   1  15.635  -9.924  -9.077
    5   1HB   GLU   1          HB2       GLU   1  17.815  -9.050  -9.930
    6   2HB   GLU   1          HB3       GLU   1  18.385 -10.695 -10.145
    7   1HG   GLU   1          HG2       GLU   1  17.719  -9.643 -12.261
    8   2HG   GLU   1          HG3       GLU   1  16.799 -11.085 -11.954
    9    H    GLY   2           H        GLY   2  14.995 -11.828  -7.451
   10   1HA   GLY   2          HA2       GLY   2  14.450 -14.131  -9.207
   11   2HA   GLY   2          HA3       GLY   2  15.552 -14.446  -7.895
   12    H    GLN   3           H        GLN   3  12.918 -12.143  -7.498
   13    HA   GLN   3           HA       GLN   3  11.100 -11.992  -6.183
   14   1HB   GLN   3          HB2       GLN   3  10.864 -14.964  -6.766
   15   2HB   GLN   3          HB3       GLN   3   9.761 -14.167  -5.686
   16   1HG   GLN   3          HG2       GLN   3  10.202 -13.007  -8.435
   17   2HG   GLN   3          HG3       GLN   3   9.171 -14.411  -8.216
   18   1HE2  GLN   3          2HE2      GLN   3   9.087 -11.026  -8.257
   19   2HE2  GLN   3          1HE2      GLN   3   7.580 -10.820  -7.377
   20    H    SER   4           H        SER   4  13.324 -14.534  -5.005
   21    HA   SER   4           HA       SER   4  12.409 -14.483  -2.279
   22   1HB   SER   4          HB2       SER   4  13.849 -16.263  -3.249
   23   2HB   SER   4          HB3       SER   4  15.213 -15.118  -3.284
   24    HG   SER   4           HG       SER   4  14.505 -14.819  -0.933
   25    H    ASP   5           H        ASP   5  14.640 -12.297  -4.043
   26    HA   ASP   5           HA       ASP   5  15.359 -10.860  -1.590
   27   1HB   ASP   5          HB2       ASP   5  16.467  -9.351  -3.218
   28   2HB   ASP   5          HB3       ASP   5  16.984 -11.027  -3.393
   29    H    GLU   6           H        GLU   6  13.309 -10.409  -4.486
   30    HA   GLU   6           HA       GLU   6  12.168  -7.921  -4.075
   31   1HB   GLU   6          HB2       GLU   6  11.844  -9.799  -5.912
   32   2HB   GLU   6          HB3       GLU   6  10.508 -10.328  -4.912
   33   1HG   GLU   6          HG2       GLU   6  10.793  -7.576  -6.187
   34   2HG   GLU   6          HG3       GLU   6   9.825  -8.911  -6.823
   35    H    ARG   7           H        ARG   7  11.030 -10.992  -2.632
   36    HA   ARG   7           HA       ARG   7   8.767  -9.893  -1.517
   37   1HB   ARG   7          HB2       ARG   7   9.525 -12.375  -1.768
   38   2HB   ARG   7          HB3       ARG   7  10.296 -12.181  -0.203
   39   1HG   ARG   7          HG2       ARG   7   8.095 -13.266  -0.112
   40   2HG   ARG   7          HG3       ARG   7   8.153 -11.811   0.868
   41   1HD   ARG   7          HD2       ARG   7   6.060 -12.418  -0.711
   42   2HD   ARG   7          HD3       ARG   7   6.509 -10.796  -0.253
   43    HE   ARG   7           HE       ARG   7   7.068 -10.282  -2.420
   44   1HH1  ARG   7          2HH2      ARG   7   6.735 -13.780  -2.571
   45   2HH1  ARG   7          1HH2      ARG   7   7.125 -13.750  -4.291
   46   1HH2  ARG   7          1HH1      ARG   7   7.670 -10.367  -4.456
   47   2HH2  ARG   7          2HH1      ARG   7   7.462 -11.856  -5.314
   48    H    ALA   8           H        ALA   8  11.895  -9.995   0.176
   49    HA   ALA   8           HA       ALA   8  10.864  -8.727   2.565
   50   1HB   ALA   8          HB1       ALA   8  13.656  -8.682   1.332
   51   2HB   ALA   8          HB2       ALA   8  13.249  -8.201   2.997
   52   3HB   ALA   8          HB3       ALA   8  13.042  -9.885   2.508
   53    H    LEU   9           H        LEU   9  12.050  -7.432  -0.558
   54    HA   LEU   9           HA       LEU   9  12.162  -4.659   0.243
   55   1HB   LEU   9          HB2       LEU   9  11.948  -5.880  -2.542
   56   2HB   LEU   9          HB3       LEU   9  12.510  -4.274  -2.164
   57    HG   LEU   9           HG       LEU   9  13.891  -6.831  -1.256
   58   1HD1  LEU   9          1HD1      LEU   9  15.570  -6.287  -3.030
   59   2HD1  LEU   9          2HD1      LEU   9  14.032  -6.856  -3.619
   60   3HD1  LEU   9          3HD1      LEU   9  14.393  -5.115  -3.700
   61   1HD2  LEU   9          1HD2      LEU   9  14.983  -4.000  -1.274
   62   2HD2  LEU   9          2HD2      LEU   9  14.434  -4.911   0.161
   63   3HD2  LEU   9          3HD2      LEU   9  15.825  -5.480  -0.766
   64    H    LEU  10           H        LEU  10   9.768  -6.651  -1.432
   65    HA   LEU  10           HA       LEU  10   7.644  -4.804  -1.825
   66   1HB   LEU  10          HB2       LEU  10   7.782  -6.959  -2.923
   67   2HB   LEU  10          HB3       LEU  10   7.784  -7.821  -1.397
   68    HG   LEU  10           HG       LEU  10   5.432  -7.024  -0.967
   69   1HD1  LEU  10          1HD1      LEU  10   5.386  -5.045  -2.339
   70   2HD1  LEU  10          2HD1      LEU  10   5.656  -6.018  -3.834
   71   3HD1  LEU  10          3HD1      LEU  10   4.157  -6.195  -2.877
   72   1HD2  LEU  10          1HD2      LEU  10   4.347  -8.410  -2.775
   73   2HD2  LEU  10          2HD2      LEU  10   5.938  -8.557  -3.545
   74   3HD2  LEU  10          3HD2      LEU  10   5.618  -9.202  -1.876
   75    H    ASP  11           H        ASP  11   8.261  -7.154   0.816
   76    HA   ASP  11           HA       ASP  11   6.038  -6.481   2.402
   77   1HB   ASP  11          HB2       ASP  11   8.764  -7.646   3.141
   78   2HB   ASP  11          HB3       ASP  11   7.456  -7.488   4.297
   79    H    GLN  12           H        GLN  12   9.381  -5.143   2.729
   80    HA   GLN  12           HA       GLN  12   8.441  -3.257   4.697
   81   1HB   GLN  12          HB2       GLN  12  10.620  -2.264   4.631
   82   2HB   GLN  12          HB3       GLN  12  10.784  -4.012   4.524
   83   1HG   GLN  12          HG2       GLN  12  12.364  -3.276   3.024
   84   2HG   GLN  12          HG3       GLN  12  11.010  -3.703   1.987
   85   1HE2  GLN  12          2HE2      GLN  12  10.561  -2.143   0.380
   86   2HE2  GLN  12          1HE2      GLN  12  11.169  -0.492   0.551
   87    H    LEU  13           H        LEU  13   8.383  -3.105   1.159
   88    HA   LEU  13           HA       LEU  13   7.792  -0.262   1.232
   89   1HB   LEU  13          HB2       LEU  13   8.249  -2.217  -0.912
   90   2HB   LEU  13          HB3       LEU  13   6.859  -1.221  -1.246
   91    HG   LEU  13           HG       LEU  13   9.427   0.065  -0.282
   92   1HD1  LEU  13          1HD1      LEU  13   8.681  -0.274  -3.206
   93   2HD1  LEU  13          2HD1      LEU  13  10.042   0.617  -2.510
   94   3HD1  LEU  13          3HD1      LEU  13   9.986  -1.159  -2.376
   95   1HD2  LEU  13          1HD2      LEU  13   7.138   1.154  -1.931
   96   2HD2  LEU  13          2HD2      LEU  13   7.328   1.342  -0.172
   97   3HD2  LEU  13          3HD2      LEU  13   8.537   2.049  -1.255
   98    H    HIS  14           H        HIS  14   5.677  -3.206   1.000
   99    HA   HIS  14           HA       HIS  14   3.340  -1.463   0.683
  100   1HB   HIS  14          HB2       HIS  14   1.937  -3.334   0.911
  101   2HB   HIS  14          HB3       HIS  14   3.215  -3.661  -0.231
  102    HD2  HIS  14           HD2      HIS  14   2.804  -4.443   3.633
  103    HE1  HIS  14           HE1      HIS  14   3.891  -8.009   1.580
  104    HE2  HIS  14           HE2      HIS  14   3.365  -6.992   3.844
  105    H    THR  15           H        THR  15   5.158  -2.735   3.384
  106    HA   THR  15           HA       THR  15   3.383  -1.890   5.491
  107    HB   THR  15           HB       THR  15   6.432  -1.917   5.557
  108    HG1  THR  15           HG1      THR  15   5.783  -3.979   5.032
  109   1HG2  THR  15          1HG2      THR  15   5.327  -0.811   7.507
  110   2HG2  THR  15          2HG2      THR  15   4.337  -2.266   7.751
  111   3HG2  THR  15          3HG2      THR  15   6.099  -2.346   7.958
  112    H    LEU  16           H        LEU  16   6.242  -0.153   4.062
  113    HA   LEU  16           HA       LEU  16   5.788   2.386   5.150
  114   1HB   LEU  16          HB2       LEU  16   7.747   1.785   3.702
  115   2HB   LEU  16          HB3       LEU  16   6.677   1.603   2.342
  116    HG   LEU  16           HG       LEU  16   6.033   4.164   2.815
  117   1HD1  LEU  16          1HD1      LEU  16   7.410   4.385   4.849
  118   2HD1  LEU  16          2HD1      LEU  16   8.868   3.942   3.926
  119   3HD1  LEU  16          3HD1      LEU  16   7.985   5.449   3.566
  120   1HD2  LEU  16          1HD2      LEU  16   8.395   2.993   1.367
  121   2HD2  LEU  16          2HD2      LEU  16   6.836   3.530   0.729
  122   3HD2  LEU  16          3HD2      LEU  16   8.011   4.735   1.279
  123    H    LEU  17           H        LEU  17   4.375   1.106   2.122
  124    HA   LEU  17           HA       LEU  17   2.750   3.383   1.623
  125   1HB   LEU  17          HB2       LEU  17   3.622   1.054   0.307
  126   2HB   LEU  17          HB3       LEU  17   1.907   0.809   0.389
  127    HG   LEU  17           HG       LEU  17   1.534   2.642  -1.135
  128   1HD1  LEU  17          1HD1      LEU  17   4.296   3.630  -0.416
  129   2HD1  LEU  17          2HD1      LEU  17   3.336   4.222  -1.788
  130   3HD1  LEU  17          3HD1      LEU  17   2.692   4.439  -0.172
  131   1HD2  LEU  17          1HD2      LEU  17   4.264   1.476  -1.832
  132   2HD2  LEU  17          2HD2      LEU  17   2.671   0.740  -2.178
  133   3HD2  LEU  17          3HD2      LEU  17   3.139   2.271  -2.951
  134    H    SER  18           H        SER  18   2.170   1.071   3.979
  135    HA   SER  18           HA       SER  18  -0.729   1.828   4.065
  136   1HB   SER  18          HB2       SER  18   0.225  -0.994   4.525
  137   2HB   SER  18          HB3       SER  18  -1.418  -0.421   4.129
  138    HG   SER  18           HG       SER  18   0.856  -0.781   2.570
  139    H    ASN  19           H        ASN  19   1.856   2.166   5.646
  140    HA   ASN  19           HA       ASN  19   2.228   1.074   7.998
  141   1HB   ASN  19          HB2       ASN  19   3.548   3.088   8.482
  142   2HB   ASN  19          HB3       ASN  19   3.627   2.728   6.784
  143   1HD2  ASN  19          1HD2      ASN  19   3.158   4.426   5.370
  144   2HD2  ASN  19          2HD2      ASN  19   2.271   5.863   5.906
  145    H    THR  20           H        THR  20  -0.634   2.543   7.647
  146    HA   THR  20           HA       THR  20  -2.390   2.601   9.085
  147    HB   THR  20           HB       THR  20  -2.379   3.401  11.389
  148    HG1  THR  20           HG1      THR  20   0.388   3.262  11.084
  149   1HG2  THR  20          1HG2      THR  20  -2.336   0.990  10.876
  150   2HG2  THR  20          2HG2      THR  20  -0.554   1.009  10.912
  151   3HG2  THR  20          3HG2      THR  20  -1.479   1.369  12.380
  152    H    ASP  21           H        ASP  21  -0.185   5.183   8.323
  153    HA   ASP  21           HA       ASP  21  -1.876   7.384   8.831
  154   1HB   ASP  21          HB2       ASP  21   0.457   7.628   8.241
  155   2HB   ASP  21          HB3       ASP  21   0.199   6.882   6.673
  156    H    ALA  22           H        ALA  22  -2.852   8.689   7.251
  157    HA   ALA  22           HA       ALA  22  -4.074   7.557   4.816
  158   1HB   ALA  22          HB1       ALA  22  -5.815   7.056   6.452
  159   2HB   ALA  22          HB2       ALA  22  -5.766   8.737   7.049
  160   3HB   ALA  22          HB3       ALA  22  -6.353   8.373   5.415
  161    H    THR  23           H        THR  23  -2.628  10.224   6.405
  162    HA   THR  23           HA       THR  23  -4.020  12.420   5.757
  163    HB   THR  23           HB       THR  23  -0.965  12.260   5.815
  164    HG1  THR  23           HG1      THR  23  -1.627  11.194   7.582
  165   1HG2  THR  23          1HG2      THR  23  -2.900  14.430   6.759
  166   2HG2  THR  23          2HG2      THR  23  -1.128  14.451   6.954
  167   3HG2  THR  23          3HG2      THR  23  -1.843  14.546   5.340
  168    H    GLY  24           H        GLY  24  -1.313  11.361   3.647
  169   1HA   GLY  24          HA2       GLY  24  -2.769  12.742   1.392
  170   2HA   GLY  24          HA3       GLY  24  -1.012  12.458   1.448
  171    H    LEU  25           H        LEU  25  -2.037   9.755   2.686
  172    HA   LEU  25           HA       LEU  25  -1.976   8.045   0.365
  173   1HB   LEU  25          HB2       LEU  25  -2.673   7.862   3.306
  174   2HB   LEU  25          HB3       LEU  25  -3.013   6.490   2.277
  175    HG   LEU  25           HG       LEU  25  -0.220   7.675   2.665
  176   1HD1  LEU  25          1HD1      LEU  25  -1.661   5.300   3.961
  177   2HD1  LEU  25          2HD1      LEU  25  -1.093   6.779   4.767
  178   3HD1  LEU  25          3HD1      LEU  25   0.080   5.625   4.113
  179   1HD2  LEU  25          1HD2      LEU  25  -0.445   6.351   0.579
  180   2HD2  LEU  25          2HD2      LEU  25   0.422   5.376   1.771
  181   3HD2  LEU  25          3HD2      LEU  25  -1.292   5.071   1.483
  182    H    GLU  26           H        GLU  26  -4.581   9.656   2.115
  183    HA   GLU  26           HA       GLU  26  -6.858   8.589   1.167
  184   1HB   GLU  26          HB2       GLU  26  -7.808  10.916   1.400
  185   2HB   GLU  26          HB3       GLU  26  -6.851  10.350   2.754
  186   1HG   GLU  26          HG2       GLU  26  -6.109  12.459   2.688
  187   2HG   GLU  26          HG3       GLU  26  -4.860  11.687   1.742
  188    H    GLU  27           H        GLU  27  -5.118  11.057  -0.850
  189    HA   GLU  27           HA       GLU  27  -6.947  10.944  -2.997
  190   1HB   GLU  27          HB2       GLU  27  -4.930  12.484  -2.525
  191   2HB   GLU  27          HB3       GLU  27  -3.925  11.235  -3.202
  192   1HG   GLU  27          HG2       GLU  27  -4.282  12.812  -4.962
  193   2HG   GLU  27          HG3       GLU  27  -5.284  11.417  -5.370
  194    H    ILE  28           H        ILE  28  -4.084   8.986  -2.378
  195    HA   ILE  28           HA       ILE  28  -4.081   7.642  -4.909
  196    HB   ILE  28           HB       ILE  28  -2.891   6.532  -2.376
  197   1HG1  ILE  28          2HG1      ILE  28  -1.397   8.624  -4.036
  198   2HG1  ILE  28          3HG1      ILE  28  -2.261   9.047  -2.554
  199   1HG2  ILE  28          1HG2      ILE  28  -1.216   5.602  -3.866
  200   2HG2  ILE  28          2HG2      ILE  28  -2.786   5.275  -4.596
  201   3HG2  ILE  28          3HG2      ILE  28  -1.801   6.595  -5.226
  202   1HD1  ILE  28          1HD1      ILE  28  -0.034   8.700  -1.896
  203   2HD1  ILE  28          2HD1      ILE  28  -0.987   7.331  -1.303
  204   3HD1  ILE  28          3HD1      ILE  28   0.049   7.108  -2.710
  205    H    ASP  29           H        ASP  29  -5.510   6.919  -1.702
  206    HA   ASP  29           HA       ASP  29  -6.439   4.295  -2.593
  207   1HB   ASP  29          HB2       ASP  29  -7.193   3.907  -0.460
  208   2HB   ASP  29          HB3       ASP  29  -5.646   4.701  -0.438
  209    H    ARG  30           H        ARG  30  -8.016   7.566  -2.348
  210    HA   ARG  30           HA       ARG  30 -10.539   6.433  -3.208
  211   1HB   ARG  30          HB2       ARG  30 -11.339   8.601  -3.663
  212   2HB   ARG  30          HB3       ARG  30 -10.472   8.620  -2.122
  213   1HG   ARG  30          HG2       ARG  30  -8.604   9.733  -3.060
  214   2HG   ARG  30          HG3       ARG  30  -9.249   9.649  -4.713
  215   1HD   ARG  30          HD2       ARG  30 -10.905  11.258  -4.293
  216   2HD   ARG  30          HD3       ARG  30 -10.885  10.987  -2.553
  217    HE   ARG  30           HE       ARG  30  -8.793  12.477  -4.088
  218   1HH1  ARG  30          2HH2      ARG  30  -9.784  11.361  -0.877
  219   2HH1  ARG  30          1HH2      ARG  30  -8.712  12.588  -0.182
  220   1HH2  ARG  30          1HH1      ARG  30  -7.489  13.968  -2.909
  221   2HH2  ARG  30          2HH1      ARG  30  -7.554  13.792  -1.171
  222    H    ALA  31           H        ALA  31  -7.673   7.616  -5.028
  223    HA   ALA  31           HA       ALA  31  -8.735   7.266  -7.634
  224   1HB   ALA  31          HB1       ALA  31  -6.643   8.457  -7.164
  225   2HB   ALA  31          HB2       ALA  31  -5.880   6.952  -6.628
  226   3HB   ALA  31          HB3       ALA  31  -6.367   7.143  -8.321
  227    H    LEU  32           H        LEU  32  -7.900   4.827  -5.308
  228    HA   LEU  32           HA       LEU  32  -8.280   2.681  -7.365
  229   1HB   LEU  32          HB2       LEU  32  -6.800   2.552  -4.720
  230   2HB   LEU  32          HB3       LEU  32  -6.998   1.228  -5.879
  231    HG   LEU  32           HG       LEU  32  -5.546   3.849  -6.484
  232   1HD1  LEU  32          1HD1      LEU  32  -4.276   1.156  -5.888
  233   2HD1  LEU  32          2HD1      LEU  32  -3.517   2.767  -5.974
  234   3HD1  LEU  32          3HD1      LEU  32  -4.591   2.349  -4.623
  235   1HD2  LEU  32          1HD2      LEU  32  -6.391   2.604  -8.483
  236   2HD2  LEU  32          2HD2      LEU  32  -4.642   2.689  -8.386
  237   3HD2  LEU  32          3HD2      LEU  32  -5.471   1.173  -7.923
  238    H    GLY  33           H        GLY  33 -10.222   4.319  -5.490
  239   1HA   GLY  33          HA2       GLY  33 -12.346   3.938  -4.779
  240   2HA   GLY  33          HA3       GLY  33 -12.238   2.315  -5.495
  241    H    ILE  34           H        ILE  34  -9.882   2.790  -3.110
  242    HA   ILE  34           HA       ILE  34 -10.667   0.559  -1.609
  243    HB   ILE  34           HB       ILE  34  -8.835   2.738  -0.652
  244   1HG1  ILE  34          2HG1      ILE  34  -8.423   0.365  -2.517
  245   2HG1  ILE  34          3HG1      ILE  34  -8.133   2.069  -2.856
  246   1HG2  ILE  34          1HG2      ILE  34  -7.810   1.107   0.780
  247   2HG2  ILE  34          2HG2      ILE  34  -9.555   0.986   1.052
  248   3HG2  ILE  34          3HG2      ILE  34  -8.727  -0.205   0.033
  249   1HD1  ILE  34          1HD1      ILE  34  -6.210   2.034  -1.228
  250   2HD1  ILE  34          2HD1      ILE  34  -6.480   0.286  -1.061
  251   3HD1  ILE  34          3HD1      ILE  34  -6.033   0.982  -2.633
  252    HA   PRO  35           HA       PRO  35 -12.773   3.263   1.793
  253   1HB   PRO  35          HB2       PRO  35 -13.725   5.568   0.067
  254   2HB   PRO  35          HB3       PRO  35 -13.291   5.568   1.806
  255   1HG   PRO  35          HG2       PRO  35 -11.579   6.564  -0.026
  256   2HG   PRO  35          HG3       PRO  35 -10.971   5.496   1.286
  257   1HD   PRO  35          HD2       PRO  35 -11.625   4.739  -1.576
  258   2HD   PRO  35          HD3       PRO  35 -10.157   4.374  -0.626
  259    H    GLU  36           H        GLU  36 -13.957   3.333  -1.603
  260    HA   GLU  36           HA       GLU  36 -16.737   2.893  -0.879
  261   1HB   GLU  36          HB2       GLU  36 -15.306   3.549  -3.253
  262   2HB   GLU  36          HB3       GLU  36 -16.066   1.999  -3.577
  263   1HG   GLU  36          HG2       GLU  36 -17.461   4.524  -2.609
  264   2HG   GLU  36          HG3       GLU  36 -17.512   3.857  -4.234
  265    H    LEU  37           H        LEU  37 -14.062   0.834  -2.033
  266    HA   LEU  37           HA       LEU  37 -15.383  -1.669  -1.952
  267   1HB   LEU  37          HB2       LEU  37 -12.489  -0.897  -1.424
  268   2HB   LEU  37          HB3       LEU  37 -13.018  -2.563  -1.537
  269    HG   LEU  37           HG       LEU  37 -13.459  -0.566  -3.814
  270   1HD1  LEU  37          1HD1      LEU  37 -11.427  -1.733  -4.836
  271   2HD1  LEU  37          2HD1      LEU  37 -11.099  -0.629  -3.515
  272   3HD1  LEU  37          3HD1      LEU  37 -11.072  -2.369  -3.196
  273   1HD2  LEU  37          1HD2      LEU  37 -13.608  -2.648  -5.178
  274   2HD2  LEU  37          2HD2      LEU  37 -13.504  -3.613  -3.680
  275   3HD2  LEU  37          3HD2      LEU  37 -14.882  -2.538  -3.951
  276    H    VAL  38           H        VAL  38 -13.748   0.067   0.750
  277    HA   VAL  38           HA       VAL  38 -14.358  -1.860   2.781
  278    HB   VAL  38           HB       VAL  38 -13.879   1.135   2.919
  279   1HG1  VAL  38          1HG1      VAL  38 -13.397   0.785   5.340
  280   2HG1  VAL  38          2HG1      VAL  38 -15.093   0.597   4.934
  281   3HG1  VAL  38          3HG1      VAL  38 -14.098  -0.853   5.205
  282   1HG2  VAL  38          1HG2      VAL  38 -12.018  -1.071   3.830
  283   2HG2  VAL  38          2HG2      VAL  38 -12.040  -0.527   2.153
  284   3HG2  VAL  38          3HG2      VAL  38 -11.682   0.643   3.414
  285    H    ASN  39           H        ASN  39 -16.262   1.020   1.695
  286    HA   ASN  39           HA       ASN  39 -18.443   0.589   3.503
  287   1HB   ASN  39          HB2       ASN  39 -18.143   2.073   0.882
  288   2HB   ASN  39          HB3       ASN  39 -19.726   1.874   1.640
  289   1HD2  ASN  39          2HD2      ASN  39 -16.482   3.348   2.134
  290   2HD2  ASN  39          1HD2      ASN  39 -17.102   4.418   3.408
  291    H    GLN  40           H        GLN  40 -17.869  -0.721   0.253
  292    HA   GLN  40           HA       GLN  40 -20.290  -2.264   0.039
  293   1HB   GLN  40          HB2       GLN  40 -17.537  -2.594  -1.210
  294   2HB   GLN  40          HB3       GLN  40 -18.953  -3.543  -1.651
  295   1HG   GLN  40          HG2       GLN  40 -20.092  -1.678  -2.576
  296   2HG   GLN  40          HG3       GLN  40 -18.961  -0.517  -1.901
  297   1HE2  GLN  40          2HE2      GLN  40 -18.459   0.349  -4.046
  298   2HE2  GLN  40          1HE2      GLN  40 -17.448  -0.619  -5.139
  299    H    GLY  41           H        GLY  41 -17.475  -2.776   2.044
  300   1HA   GLY  41          HA2       GLY  41 -17.050  -4.515   3.537
  301   2HA   GLY  41          HA3       GLY  41 -18.341  -5.481   2.810
  302    H    GLN  42           H        GLN  42 -16.393  -4.321   0.360
  303    HA   GLN  42           HA       GLN  42 -15.194  -6.934  -0.249
  304   1HB   GLN  42          HB2       GLN  42 -15.224  -4.242  -1.702
  305   2HB   GLN  42          HB3       GLN  42 -14.471  -5.703  -2.322
  306   1HG   GLN  42          HG2       GLN  42 -17.428  -5.295  -1.755
  307   2HG   GLN  42          HG3       GLN  42 -16.649  -5.317  -3.342
  308   1HE2  GLN  42          2HE2      GLN  42 -14.916  -7.807  -2.797
  309   2HE2  GLN  42          1HE2      GLN  42 -16.175  -9.040  -2.758
  310    H    ALA  43           H        ALA  43 -14.020  -6.683   1.864
  311    HA   ALA  43           HA       ALA  43 -11.355  -5.391   1.453
  312   1HB   ALA  43          HB1       ALA  43 -12.818  -4.178   3.045
  313   2HB   ALA  43          HB2       ALA  43 -12.930  -5.649   4.032
  314   3HB   ALA  43          HB3       ALA  43 -11.355  -4.829   3.824
  315    H    LEU  44           H        LEU  44 -12.520  -8.378   1.336
  316    HA   LEU  44           HA       LEU  44 -10.600  -9.628   3.271
  317   1HB   LEU  44          HB2       LEU  44 -13.261 -10.724   2.314
  318   2HB   LEU  44          HB3       LEU  44 -12.185 -11.471   3.505
  319    HG   LEU  44           HG       LEU  44 -13.705  -8.848   3.846
  320   1HD1  LEU  44          1HD1      LEU  44 -15.136 -10.846   3.930
  321   2HD1  LEU  44          2HD1      LEU  44 -14.074 -11.588   5.156
  322   3HD1  LEU  44          3HD1      LEU  44 -14.966 -10.111   5.544
  323   1HD2  LEU  44          1HD2      LEU  44 -11.586  -8.748   5.113
  324   2HD2  LEU  44          2HD2      LEU  44 -12.973  -8.887   6.184
  325   3HD2  LEU  44          3HD2      LEU  44 -11.937 -10.317   5.862
  326    H    GLU  45           H        GLU  45 -11.466  -9.412   0.011
  327    HA   GLU  45           HA       GLU  45 -10.373 -11.857  -1.001
  328   1HB   GLU  45          HB2       GLU  45 -10.578  -9.271  -2.588
  329   2HB   GLU  45          HB3       GLU  45 -10.790 -10.920  -3.146
  330   1HG   GLU  45          HG2       GLU  45 -12.948 -10.244  -3.214
  331   2HG   GLU  45          HG3       GLU  45 -12.924 -10.883  -1.569
  332    HA   PRO  46           HA       PRO  46  -5.968 -10.764  -1.584
  333   1HB   PRO  46          HB2       PRO  46  -6.314 -10.648  -4.577
  334   2HB   PRO  46          HB3       PRO  46  -5.060 -11.494  -3.635
  335   1HG   PRO  46          HG2       PRO  46  -7.103 -12.892  -4.676
  336   2HG   PRO  46          HG3       PRO  46  -6.630 -13.187  -2.951
  337   1HD   PRO  46          HD2       PRO  46  -8.869 -11.474  -4.003
  338   2HD   PRO  46          HD3       PRO  46  -8.918 -12.696  -2.702
  339    H    LYS  47           H        LYS  47  -8.203  -8.484  -1.991
  340    HA   LYS  47           HA       LYS  47  -6.450  -6.193  -2.395
  341   1HB   LYS  47          HB2       LYS  47  -8.021  -5.119  -3.934
  342   2HB   LYS  47          HB3       LYS  47  -7.189  -6.512  -4.630
  343   1HG   LYS  47          HG2       LYS  47  -9.119  -7.326  -5.276
  344   2HG   LYS  47          HG3       LYS  47  -9.630  -7.562  -3.601
  345   1HD   LYS  47          HD2       LYS  47 -10.139  -5.093  -5.281
  346   2HD   LYS  47          HD3       LYS  47 -11.295  -6.362  -4.890
  347   1HE   LYS  47          HE2       LYS  47  -9.991  -4.499  -2.857
  348   2HE   LYS  47          HE3       LYS  47 -11.615  -4.343  -3.536
  349   1HZ   LYS  47          HZ1       LYS  47 -10.599  -6.420  -1.714
  350   2HZ   LYS  47          HZ2       LYS  47 -11.843  -5.407  -1.485
  351   3HZ   LYS  47          HZ3       LYS  47 -12.026  -6.628  -2.515
  352    HT1  PRO  48           H2       PRO  48  15.647  -6.576 -13.042
  353    HT2  PRO  48           H3       PRO  48  15.077  -5.463 -14.147
  354    HA   PRO  48           HA       PRO  48  14.093  -6.015 -11.446
  355   1HB   PRO  48          HB2       PRO  48  12.954  -3.768 -13.054
  356   2HB   PRO  48          HB3       PRO  48  13.123  -3.945 -11.288
  357   1HG   PRO  48          HG2       PRO  48  14.981  -2.808 -13.301
  358   2HG   PRO  48          HG3       PRO  48  15.210  -2.759 -11.546
  359   1HD   PRO  48          HD2       PRO  48  16.815  -4.247 -13.147
  360   2HD   PRO  48          HD3       PRO  48  16.297  -4.878 -11.549
  361    H    ASN  49           H        ASN  49  13.842  -8.134 -12.665
  362    HA   ASN  49           HA       ASN  49  11.386  -8.153 -14.373
  363   1HB   ASN  49          HB2       ASN  49  13.392  -8.613 -15.644
  364   2HB   ASN  49          HB3       ASN  49  13.930  -9.782 -14.439
  365   1HD2  ASN  49          1HD2      ASN  49  11.035  -9.217 -16.563
  366   2HD2  ASN  49          2HD2      ASN  49  10.884 -10.954 -16.905
  367    H    ARG  50           H        ARG  50  13.180 -10.417 -12.237
  368    HA   ARG  50           HA       ARG  50  10.666 -11.801 -11.477
  369   1HB   ARG  50          HB2       ARG  50  13.551 -12.264 -10.556
  370   2HB   ARG  50          HB3       ARG  50  12.129 -13.174 -10.091
  371   1HG   ARG  50          HG2       ARG  50  12.914 -14.583 -11.714
  372   2HG   ARG  50          HG3       ARG  50  11.847 -13.586 -12.682
  373   1HD   ARG  50          HD2       ARG  50  13.826 -13.787 -13.942
  374   2HD   ARG  50          HD3       ARG  50  13.875 -12.161 -13.275
  375    HE   ARG  50           HE       ARG  50  15.428 -13.048 -11.512
  376   1HH1  ARG  50          2HH2      ARG  50  15.365 -14.770 -14.579
  377   2HH1  ARG  50          1HH2      ARG  50  16.962 -15.453 -14.302
  378   1HH2  ARG  50          1HH1      ARG  50  17.307 -13.843 -11.249
  379   2HH2  ARG  50          2HH1      ARG  50  18.103 -14.900 -12.422
  380    H    SER  51           H        SER  51  13.234  -9.684 -10.269
  381    HA   SER  51           HA       SER  51  11.588  -8.959  -7.920
  382   1HB   SER  51          HB2       SER  51  14.408  -8.042  -8.606
  383   2HB   SER  51          HB3       SER  51  13.525  -7.716  -7.108
  384    HG   SER  51           HG       SER  51  14.658  -9.461  -6.665
  385    H    ILE  52           H        ILE  52   9.984  -7.640  -8.660
  386    HA   ILE  52           HA       ILE  52  10.572  -5.588 -10.686
  387    HB   ILE  52           HB       ILE  52   7.840  -5.397  -9.629
  388   1HG1  ILE  52          2HG1      ILE  52   7.087  -7.514 -10.802
  389   2HG1  ILE  52          3HG1      ILE  52   8.702  -8.147 -10.549
  390   1HG2  ILE  52          1HG2      ILE  52   7.351  -5.504 -12.000
  391   2HG2  ILE  52          2HG2      ILE  52   8.763  -4.472 -11.733
  392   3HG2  ILE  52          3HG2      ILE  52   8.970  -6.123 -12.353
  393   1HD1  ILE  52          1HD1      ILE  52   7.326  -8.947  -8.743
  394   2HD1  ILE  52          2HD1      ILE  52   8.226  -7.609  -8.003
  395   3HD1  ILE  52          3HD1      ILE  52   6.553  -7.380  -8.503
  396    H    SER  53           H        SER  53  10.695  -5.621  -7.276
  397    HA   SER  53           HA       SER  53  10.208  -2.713  -7.096
  398   1HB   SER  53          HB2       SER  53  10.454  -3.116  -4.588
  399   2HB   SER  53          HB3       SER  53   9.042  -3.813  -5.365
  400    HG   SER  53           HG       SER  53   9.755  -5.747  -4.978
  401    HA   PRO  54           HA       PRO  54  14.788  -2.867  -5.749
  402   1HB   PRO  54          HB2       PRO  54  16.524  -3.284  -7.784
  403   2HB   PRO  54          HB3       PRO  54  15.847  -4.605  -6.763
  404   1HG   PRO  54          HG2       PRO  54  14.805  -3.639  -9.444
  405   2HG   PRO  54          HG3       PRO  54  15.225  -5.321  -8.980
  406   1HD   PRO  54          HD2       PRO  54  12.719  -4.400  -8.898
  407   2HD   PRO  54          HD3       PRO  54  13.296  -5.488  -7.591
  408    H    SER  55           H        SER  55  13.190  -1.630  -8.604
  409    HA   SER  55           HA       SER  55  14.650   0.910  -8.636
  410   1HB   SER  55          HB2       SER  55  12.800   1.493 -10.273
  411   2HB   SER  55          HB3       SER  55  13.793   0.087 -10.734
  412    HG   SER  55           HG       SER  55  11.435  -0.264 -10.867
  413    H    ALA  56           H        ALA  56  11.302  -0.143  -7.903
  414    HA   ALA  56           HA       ALA  56  10.367   2.143  -6.621
  415   1HB   ALA  56          HB1       ALA  56   9.755  -0.789  -5.988
  416   2HB   ALA  56          HB2       ALA  56   8.738   0.557  -5.520
  417   3HB   ALA  56          HB3       ALA  56   8.976   0.214  -7.249
  418    H    LEU  57           H        LEU  57  12.376  -0.379  -5.211
  419    HA   LEU  57           HA       LEU  57  12.478   0.325  -2.512
  420   1HB   LEU  57          HB2       LEU  57  13.364  -1.744  -3.480
  421   2HB   LEU  57          HB3       LEU  57  14.375  -0.840  -4.592
  422    HG   LEU  57           HG       LEU  57  15.834  -0.142  -2.717
  423   1HD1  LEU  57          1HD1      LEU  57  15.639  -1.585  -0.619
  424   2HD1  LEU  57          2HD1      LEU  57  14.397  -0.330  -0.812
  425   3HD1  LEU  57          3HD1      LEU  57  13.990  -2.012  -1.188
  426   1HD2  LEU  57          1HD2      LEU  57  15.387  -3.101  -3.351
  427   2HD2  LEU  57          2HD2      LEU  57  16.403  -1.963  -4.216
  428   3HD2  LEU  57          3HD2      LEU  57  16.860  -2.454  -2.576
  429    H    GLN  58           H        GLN  58  13.962   1.910  -5.290
  430    HA   GLN  58           HA       GLN  58  15.435   3.817  -3.538
  431   1HB   GLN  58          HB2       GLN  58  15.269   3.557  -6.572
  432   2HB   GLN  58          HB3       GLN  58  16.243   4.738  -5.676
  433   1HG   GLN  58          HG2       GLN  58  17.747   3.129  -4.903
  434   2HG   GLN  58          HG3       GLN  58  16.651   1.772  -5.148
  435   1HE2  GLN  58          2HE2      GLN  58  16.699   0.635  -7.203
  436   2HE2  GLN  58          1HE2      GLN  58  17.792   1.248  -8.451
  437    H    ASP  59           H        ASP  59  13.074   3.880  -6.235
  438    HA   ASP  59           HA       ASP  59  12.488   6.621  -5.745
  439   1HB   ASP  59          HB2       ASP  59  12.325   4.857  -7.925
  440   2HB   ASP  59          HB3       ASP  59  10.641   5.218  -7.584
  441    H    LEU  60           H        LEU  60  10.473   3.715  -5.042
  442    HA   LEU  60           HA       LEU  60   8.103   5.402  -4.561
  443   1HB   LEU  60          HB2       LEU  60   8.311   2.866  -5.404
  444   2HB   LEU  60          HB3       LEU  60   8.203   2.537  -3.685
  445    HG   LEU  60           HG       LEU  60   6.242   4.185  -5.357
  446   1HD1  LEU  60          1HD1      LEU  60   5.873   1.493  -4.000
  447   2HD1  LEU  60          2HD1      LEU  60   4.712   2.317  -5.051
  448   3HD1  LEU  60          3HD1      LEU  60   6.226   1.688  -5.744
  449   1HD2  LEU  60          1HD2      LEU  60   6.106   5.074  -3.139
  450   2HD2  LEU  60          2HD2      LEU  60   4.724   4.025  -3.429
  451   3HD2  LEU  60          3HD2      LEU  60   6.075   3.454  -2.408
  452    H    LEU  61           H        LEU  61  10.542   3.528  -2.838
  453    HA   LEU  61           HA       LEU  61   9.761   4.016  -0.166
  454   1HB   LEU  61          HB2       LEU  61  11.469   2.391  -1.071
  455   2HB   LEU  61          HB3       LEU  61  12.584   3.740  -1.244
  456    HG   LEU  61           HG       LEU  61  12.675   4.062   1.174
  457   1HD1  LEU  61          1HD1      LEU  61  10.461   3.614   1.960
  458   2HD1  LEU  61          2HD1      LEU  61  10.520   1.920   1.371
  459   3HD1  LEU  61          3HD1      LEU  61  11.512   2.433   2.726
  460   1HD2  LEU  61          1HD2      LEU  61  13.553   1.800   1.887
  461   2HD2  LEU  61          2HD2      LEU  61  12.899   1.112   0.396
  462   3HD2  LEU  61          3HD2      LEU  61  14.176   2.339   0.312
  463    H    ARG  62           H        ARG  62  12.033   6.088  -2.254
  464    HA   ARG  62           HA       ARG  62  12.228   8.267  -0.516
  465   1HB   ARG  62          HB2       ARG  62  13.561   7.856  -2.472
  466   2HB   ARG  62          HB3       ARG  62  12.190   7.851  -3.544
  467   1HG   ARG  62          HG2       ARG  62  13.186  10.235  -1.993
  468   2HG   ARG  62          HG3       ARG  62  13.670   9.795  -3.634
  469   1HD   ARG  62          HD2       ARG  62  11.031  10.943  -2.727
  470   2HD   ARG  62          HD3       ARG  62  12.125  11.533  -3.976
  471    HE   ARG  62           HE       ARG  62   9.893   9.838  -4.376
  472   1HH1  ARG  62          1HH2      ARG  62  13.187   9.842  -5.620
  473   2HH1  ARG  62          2HH2      ARG  62  12.650   8.923  -7.018
  474   1HH2  ARG  62          1HH1      ARG  62   9.343   8.960  -6.152
  475   2HH2  ARG  62          2HH1      ARG  62  10.462   8.648  -7.442
  476    H    THR  63           H        THR  63   9.791   7.642  -3.000
  477    HA   THR  63           HA       THR  63   8.300  10.016  -2.811
  478    HB   THR  63           HB       THR  63   8.013   7.294  -3.916
  479    HG1  THR  63           HG1      THR  63   7.393   9.846  -4.992
  480   1HG2  THR  63          1HG2      THR  63   5.610   7.761  -3.089
  481   2HG2  THR  63          2HG2      THR  63   5.547   8.828  -4.534
  482   3HG2  THR  63          3HG2      THR  63   5.990   7.139  -4.681
  483    H    LEU  64           H        LEU  64   8.002   7.291  -0.656
  484    HA   LEU  64           HA       LEU  64   5.922   8.900   0.755
  485   1HB   LEU  64          HB2       LEU  64   5.803   6.167   0.051
  486   2HB   LEU  64          HB3       LEU  64   6.243   6.195   1.756
  487    HG   LEU  64           HG       LEU  64   4.264   7.954   1.967
  488   1HD1  LEU  64          1HD1      LEU  64   3.857   8.230  -0.447
  489   2HD1  LEU  64          2HD1      LEU  64   3.510   6.487  -0.601
  490   3HD1  LEU  64          3HD1      LEU  64   2.435   7.516   0.351
  491   1HD2  LEU  64          1HD2      LEU  64   4.141   5.902   3.116
  492   2HD2  LEU  64          2HD2      LEU  64   2.639   5.987   2.185
  493   3HD2  LEU  64          3HD2      LEU  64   4.001   4.973   1.620
  494    H    LYS  65           H        LYS  65   9.202   7.717   1.100
  495    HA   LYS  65           HA       LYS  65   9.520   8.223   3.909
  496   1HB   LYS  65          HB2       LYS  65  11.373   8.282   1.518
  497   2HB   LYS  65          HB3       LYS  65  11.911   9.069   2.983
  498   1HG   LYS  65          HG2       LYS  65  11.542   7.031   4.300
  499   2HG   LYS  65          HG3       LYS  65  10.951   6.170   2.877
  500   1HD   LYS  65          HD2       LYS  65  13.131   6.413   1.767
  501   2HD   LYS  65          HD3       LYS  65  13.744   7.343   3.154
  502   1HE   LYS  65          HE2       LYS  65  13.479   5.453   4.650
  503   2HE   LYS  65          HE3       LYS  65  12.686   4.512   3.387
  504   1HZ   LYS  65          HZ1       LYS  65  15.017   3.899   3.635
  505   2HZ   LYS  65          HZ2       LYS  65  14.745   4.532   2.147
  506   3HZ   LYS  65          HZ3       LYS  65  15.496   5.432   3.303
  507    H    SER  66           H        SER  66   9.480  10.375   1.065
  508    HA   SER  66           HA       SER  66   9.442  12.874   2.595
  509   1HB   SER  66          HB2       SER  66   8.575  13.764   0.428
  510   2HB   SER  66          HB3       SER  66  10.104  12.896   0.231
  511    HG   SER  66           HG       SER  66   7.691  11.523   0.024
  512    HA   PRO  67           HA       PRO  67   5.647  10.982   4.007
  513   1HB   PRO  67          HB2       PRO  67   5.034  13.575   5.439
  514   2HB   PRO  67          HB3       PRO  67   5.100  11.919   6.113
  515   1HG   PRO  67          HG2       PRO  67   7.131  13.676   6.546
  516   2HG   PRO  67          HG3       PRO  67   7.492  11.963   6.193
  517   1HD   PRO  67          HD2       PRO  67   7.478  14.305   4.254
  518   2HD   PRO  67          HD3       PRO  67   8.746  13.062   4.518
  519    H    SER  68           H        SER  68   3.505  10.855   3.944
  520    HA   SER  68           HA       SER  68   2.472  11.363   1.492
  521   1HB   SER  68          HB2       SER  68   0.428  10.443   2.257
  522   2HB   SER  68          HB3       SER  68   1.708   9.672   3.196
  523    HG   SER  68           HG       SER  68   0.361  10.265   4.771
  524    H    SER  69           H        SER  69   2.033  13.483   4.257
  525    HA   SER  69           HA       SER  69  -0.113  14.984   3.547
  526   1HB   SER  69          HB2       SER  69   0.924  15.281   5.674
  527   2HB   SER  69          HB3       SER  69   2.426  15.864   4.953
  528    HG   SER  69           HG       SER  69  -0.122  17.143   4.968
  529    HA   PRO  70           HA       PRO  70   1.810  17.937   0.396
  530   1HB   PRO  70          HB2       PRO  70   4.462  17.970  -0.204
  531   2HB   PRO  70          HB3       PRO  70   3.757  18.910   1.150
  532   1HG   PRO  70          HG2       PRO  70   5.103  16.185   1.296
  533   2HG   PRO  70          HG3       PRO  70   5.461  17.628   2.285
  534   1HD   PRO  70          HD2       PRO  70   3.800  15.689   3.203
  535   2HD   PRO  70          HD3       PRO  70   3.419  17.411   3.475
  536    H    GLN  71           H        GLN  71   3.033  14.665   0.665
  537    HA   GLN  71           HA       GLN  71   3.579  14.390  -2.195
  538   1HB   GLN  71          HB2       GLN  71   4.225  12.780   0.294
  539   2HB   GLN  71          HB3       GLN  71   4.389  12.049  -1.284
  540   1HG   GLN  71          HG2       GLN  71   5.576  14.802  -0.750
  541   2HG   GLN  71          HG3       GLN  71   6.428  13.331  -0.313
  542   1HE2  GLN  71          1HE2      GLN  71   7.714  12.375  -1.988
  543   2HE2  GLN  71          2HE2      GLN  71   7.327  12.665  -3.703
  544    H    GLN  72           H        GLN  72   0.785  14.237  -0.799
  545    HA   GLN  72           HA       GLN  72  -0.499  11.901  -1.373
  546   1HB   GLN  72          HB2       GLN  72  -2.534  13.124  -1.132
  547   2HB   GLN  72          HB3       GLN  72  -1.313  13.881  -0.110
  548   1HG   GLN  72          HG2       GLN  72  -2.222  15.745  -0.861
  549   2HG   GLN  72          HG3       GLN  72  -1.038  15.547  -2.141
  550   1HE2  GLN  72          2HE2      GLN  72  -4.520  14.403  -1.424
  551   2HE2  GLN  72          1HE2      GLN  72  -5.003  14.783  -3.033
  552    H    GLN  73           H        GLN  73   0.674  13.925  -3.796
  553    HA   GLN  73           HA       GLN  73  -1.309  13.433  -5.809
  554   1HB   GLN  73          HB2       GLN  73   1.470  14.613  -5.685
  555   2HB   GLN  73          HB3       GLN  73   0.838  14.231  -7.274
  556   1HG   GLN  73          HG2       GLN  73  -0.581  16.013  -5.256
  557   2HG   GLN  73          HG3       GLN  73   0.336  16.571  -6.669
  558   1HE2  GLN  73          2HE2      GLN  73  -2.798  15.766  -5.587
  559   2HE2  GLN  73          1HE2      GLN  73  -3.504  15.570  -7.192
  560    H    GLN  74           H        GLN  74  -0.839  12.604  -7.926
  561    HA   GLN  74           HA       GLN  74  -0.610   9.838  -7.958
  562   1HB   GLN  74          HB2       GLN  74  -0.172  10.288 -10.537
  563   2HB   GLN  74          HB3       GLN  74  -1.756  10.477  -9.787
  564   1HG   GLN  74          HG2       GLN  74  -1.249  12.267 -11.368
  565   2HG   GLN  74          HG3       GLN  74  -1.553  12.878  -9.747
  566   1HE2  GLN  74          2HE2      GLN  74  -0.230  14.711  -9.472
  567   2HE2  GLN  74          1HE2      GLN  74   1.463  14.704 -10.005
  568    H    GLN  75           H        GLN  75   2.133  11.814  -7.619
  569    HA   GLN  75           HA       GLN  75   4.030  10.255  -9.060
  570   1HB   GLN  75          HB2       GLN  75   5.688  11.067  -7.445
  571   2HB   GLN  75          HB3       GLN  75   4.650  12.368  -8.008
  572   1HG   GLN  75          HG2       GLN  75   4.387  12.958  -5.921
  573   2HG   GLN  75          HG3       GLN  75   3.309  11.572  -5.704
  574   1HE2  GLN  75          2HE2      GLN  75   3.728  11.291  -3.443
  575   2HE2  GLN  75          1HE2      GLN  75   5.309  10.753  -2.934
  576    H    VAL  76           H        VAL  76   2.356   9.496  -6.013
  577    HA   VAL  76           HA       VAL  76   4.097   7.199  -5.557
  578    HB   VAL  76           HB       VAL  76   1.221   7.233  -4.617
  579   1HG1  VAL  76          1HG1      VAL  76   2.158   5.931  -2.805
  580   2HG1  VAL  76          2HG1      VAL  76   2.800   5.269  -4.322
  581   3HG1  VAL  76          3HG1      VAL  76   3.819   6.321  -3.323
  582   1HG2  VAL  76          1HG2      VAL  76   1.801   9.363  -3.864
  583   2HG2  VAL  76          2HG2      VAL  76   2.059   8.265  -2.482
  584   3HG2  VAL  76          3HG2      VAL  76   3.458   8.845  -3.398
  585    H    LEU  77           H        LEU  77   0.869   7.708  -6.939
  586    HA   LEU  77           HA       LEU  77   0.321   5.048  -7.497
  587   1HB   LEU  77          HB2       LEU  77  -1.078   7.344  -7.636
  588   2HB   LEU  77          HB3       LEU  77  -0.841   7.090  -9.358
  589    HG   LEU  77           HG       LEU  77  -1.963   4.955  -7.446
  590   1HD1  LEU  77          1HD1      LEU  77  -3.423   6.962  -7.523
  591   2HD1  LEU  77          2HD1      LEU  77  -3.515   6.814  -9.301
  592   3HD1  LEU  77          3HD1      LEU  77  -4.172   5.540  -8.233
  593   1HD2  LEU  77          1HD2      LEU  77  -1.145   3.933  -9.496
  594   2HD2  LEU  77          2HD2      LEU  77  -2.901   3.961  -9.521
  595   3HD2  LEU  77          3HD2      LEU  77  -1.996   5.148 -10.485
  596    H    ASN  78           H        ASN  78   1.956   7.473  -9.507
  597    HA   ASN  78           HA       ASN  78   2.363   6.057 -11.853
  598   1HB   ASN  78          HB2       ASN  78   2.773   8.446 -11.647
  599   2HB   ASN  78          HB3       ASN  78   4.077   8.172 -10.475
  600   1HD2  ASN  78          2HD2      ASN  78   6.134   8.372 -11.413
  601   2HD2  ASN  78          1HD2      ASN  78   6.444   7.951 -13.092
  602    H    ILE  79           H        ILE  79   4.252   5.883  -8.833
  603    HA   ILE  79           HA       ILE  79   6.237   4.103 -10.102
  604    HB   ILE  79           HB       ILE  79   6.075   5.140  -7.274
  605   1HG1  ILE  79          2HG1      ILE  79   8.059   6.146  -9.353
  606   2HG1  ILE  79          3HG1      ILE  79   6.471   6.892  -9.213
  607   1HG2  ILE  79          1HG2      ILE  79   8.435   4.414  -7.149
  608   2HG2  ILE  79          2HG2      ILE  79   7.419   3.018  -7.546
  609   3HG2  ILE  79          3HG2      ILE  79   8.370   3.809  -8.810
  610   1HD1  ILE  79          1HD1      ILE  79   6.866   7.357  -6.823
  611   2HD1  ILE  79          2HD1      ILE  79   8.514   6.720  -6.973
  612   3HD1  ILE  79          3HD1      ILE  79   8.005   8.160  -7.892
  613    H    LEU  80           H        LEU  80   3.663   3.988  -7.651
  614    HA   LEU  80           HA       LEU  80   3.547   1.379  -6.749
  615   1HB   LEU  80          HB2       LEU  80   1.588   3.505  -7.521
  616   2HB   LEU  80          HB3       LEU  80   0.920   1.913  -7.352
  617    HG   LEU  80           HG       LEU  80   2.555   3.124  -5.094
  618   1HD1  LEU  80          1HD1      LEU  80   0.793   4.749  -5.446
  619   2HD1  LEU  80          2HD1      LEU  80  -0.439   3.455  -5.565
  620   3HD1  LEU  80          3HD1      LEU  80   0.419   3.764  -4.042
  621   1HD2  LEU  80          1HD2      LEU  80   0.311   1.069  -5.285
  622   2HD2  LEU  80          2HD2      LEU  80   2.028   0.687  -4.992
  623   3HD2  LEU  80          3HD2      LEU  80   1.090   1.623  -3.791
  624    H    LYS  81           H        LYS  81   2.084   2.523  -9.868
  625    HA   LYS  81           HA       LYS  81   1.256  -0.054 -10.658
  626   1HB   LYS  81          HB2       LYS  81   0.907   0.880 -12.888
  627   2HB   LYS  81          HB3       LYS  81   0.293   1.940 -11.613
  628   1HG   LYS  81          HG2       LYS  81   2.136   3.449 -11.841
  629   2HG   LYS  81          HG3       LYS  81   2.999   2.358 -12.949
  630   1HD   LYS  81          HD2       LYS  81   1.359   2.662 -14.656
  631   2HD   LYS  81          HD3       LYS  81   0.261   3.510 -13.568
  632   1HE   LYS  81          HE2       LYS  81   1.511   4.986 -15.221
  633   2HE   LYS  81          HE3       LYS  81   1.538   5.461 -13.534
  634   1HZ   LYS  81          HZ1       LYS  81   3.752   4.443 -13.370
  635   2HZ   LYS  81          HZ2       LYS  81   3.763   4.157 -14.996
  636   3HZ   LYS  81          HZ3       LYS  81   3.712   5.686 -14.364
  637    H    SER  82           H        SER  82   4.497   0.988 -10.554
  638    HA   SER  82           HA       SER  82   5.444  -0.642 -12.804
  639   1HB   SER  82          HB2       SER  82   7.624   0.108 -12.285
  640   2HB   SER  82          HB3       SER  82   6.571   1.516 -12.024
  641    HG   SER  82           HG       SER  82   6.629   1.126  -9.827
  642    H    ASN  83           H        ASN  83   4.691  -1.372  -9.517
  643    HA   ASN  83           HA       ASN  83   5.955  -4.037  -9.960
  644   1HB   ASN  83          HB2       ASN  83   7.289  -2.930  -8.323
  645   2HB   ASN  83          HB3       ASN  83   5.871  -2.603  -7.312
  646   1HD2  ASN  83          1HD2      ASN  83   8.392  -4.407  -7.176
  647   2HD2  ASN  83          2HD2      ASN  83   7.735  -5.844  -6.416
  648    HA   PRO  84           HA       PRO  84   1.473  -4.498  -9.923
  649   1HB   PRO  84          HB2       PRO  84   2.141  -7.360 -10.512
  650   2HB   PRO  84          HB3       PRO  84   1.044  -6.236 -11.387
  651   1HG   PRO  84          HG2       PRO  84   3.495  -6.863 -12.412
  652   2HG   PRO  84          HG3       PRO  84   2.881  -5.179 -12.490
  653   1HD   PRO  84          HD2       PRO  84   4.807  -6.334 -10.474
  654   2HD   PRO  84          HD3       PRO  84   4.912  -4.839 -11.445
  655    H    GLN  85           H        GLN  85   3.683  -6.724  -8.201
  656    HA   GLN  85           HA       GLN  85   1.658  -7.857  -6.445
  657   1HB   GLN  85          HB2       GLN  85   4.692  -7.734  -6.185
  658   2HB   GLN  85          HB3       GLN  85   3.612  -8.691  -5.165
  659   1HG   GLN  85          HG2       GLN  85   2.871  -9.993  -7.145
  660   2HG   GLN  85          HG3       GLN  85   3.941  -9.059  -8.178
  661   1HE2  GLN  85          1HE2      GLN  85   3.797 -12.097  -6.851
  662   2HE2  GLN  85          2HE2      GLN  85   5.543 -12.311  -6.705
  663    H    LEU  86           H        LEU  86   4.046  -5.212  -6.163
  664    HA   LEU  86           HA       LEU  86   3.384  -4.344  -3.501
  665   1HB   LEU  86          HB2       LEU  86   5.350  -3.757  -5.160
  666   2HB   LEU  86          HB3       LEU  86   4.269  -2.447  -5.654
  667    HG   LEU  86           HG       LEU  86   5.695  -2.957  -3.029
  668   1HD1  LEU  86          1HD1      LEU  86   6.521  -0.693  -3.448
  669   2HD1  LEU  86          2HD1      LEU  86   6.822  -1.743  -4.841
  670   3HD1  LEU  86          3HD1      LEU  86   5.487  -0.568  -4.899
  671   1HD2  LEU  86          1HD2      LEU  86   3.448  -2.325  -2.272
  672   2HD2  LEU  86          2HD2      LEU  86   4.583  -0.993  -2.041
  673   3HD2  LEU  86          3HD2      LEU  86   3.442  -0.967  -3.418
  674    H    MET  87           H        MET  87   2.149  -3.352  -6.716
  675    HA   MET  87           HA       MET  87   0.306  -1.438  -5.776
  676   1HB   MET  87          HB2       MET  87   1.046  -2.469  -8.283
  677   2HB   MET  87          HB3       MET  87  -0.639  -2.965  -8.168
  678   1HG   MET  87          HG2       MET  87   0.438  -0.175  -7.649
  679   2HG   MET  87          HG3       MET  87  -0.221  -0.683  -9.198
  680   1HE   MET  87          HE1       MET  87  -1.263   1.578  -8.806
  681   2HE   MET  87          HE2       MET  87  -2.792   1.857  -7.908
  682   3HE   MET  87          HE3       MET  87  -1.251   1.876  -7.035
  683    H    ALA  88           H        ALA  88  -0.322  -4.926  -6.429
  684    HA   ALA  88           HA       ALA  88  -2.979  -4.862  -5.377
  685   1HB   ALA  88          HB1       ALA  88  -2.713  -7.332  -5.270
  686   2HB   ALA  88          HB2       ALA  88  -2.124  -6.682  -6.814
  687   3HB   ALA  88          HB3       ALA  88  -0.969  -7.150  -5.567
  688    H    ALA  89           H        ALA  89   0.172  -5.604  -3.725
  689    HA   ALA  89           HA       ALA  89  -0.939  -6.158  -1.187
  690   1HB   ALA  89          HB1       ALA  89   1.331  -5.806  -0.361
  691   2HB   ALA  89          HB2       ALA  89   1.343  -6.758  -1.857
  692   3HB   ALA  89          HB3       ALA  89   1.791  -5.030  -1.887
  693    H    PHE  90           H        PHE  90   0.087  -2.991  -2.568
  694    HA   PHE  90           HA       PHE  90  -0.452  -1.353  -0.301
  695   1HB   PHE  90          HB2       PHE  90   0.681  -0.427  -2.213
  696   2HB   PHE  90          HB3       PHE  90  -0.643  -0.831  -3.282
  697    HD1  PHE  90           HD1      PHE  90  -0.149   1.218  -0.090
  698    HD2  PHE  90           HD2      PHE  90  -2.076   0.933  -3.973
  699    HE1  PHE  90           HE1      PHE  90  -0.891   3.491   0.108
  700    HE2  PHE  90           HE2      PHE  90  -2.911   3.239  -3.656
  701    HZ   PHE  90           HZ       PHE  90  -2.349   4.527  -1.632
  702    H    ILE  91           H        ILE  91  -2.618  -2.211  -3.078
  703    HA   ILE  91           HA       ILE  91  -4.933  -1.009  -1.994
  704    HB   ILE  91           HB       ILE  91  -4.765  -3.431  -3.821
  705   1HG1  ILE  91          2HG1      ILE  91  -5.368  -0.498  -4.461
  706   2HG1  ILE  91          3HG1      ILE  91  -3.788  -1.210  -4.673
  707   1HG2  ILE  91          1HG2      ILE  91  -7.141  -1.636  -3.112
  708   2HG2  ILE  91          2HG2      ILE  91  -7.150  -2.919  -4.337
  709   3HG2  ILE  91          3HG2      ILE  91  -6.940  -3.338  -2.647
  710   1HD1  ILE  91          1HD1      ILE  91  -4.757  -2.851  -6.293
  711   2HD1  ILE  91          2HD1      ILE  91  -6.317  -1.992  -6.183
  712   3HD1  ILE  91          3HD1      ILE  91  -4.879  -1.148  -6.788
  713    H    LYS  92           H        LYS  92  -3.942  -4.472  -1.705
  714    HA   LYS  92           HA       LYS  92  -5.931  -5.303   0.055
  715   1HB   LYS  92          HB2       LYS  92  -4.350  -6.812  -1.082
  716   2HB   LYS  92          HB3       LYS  92  -3.024  -6.205  -0.104
  717   1HG   LYS  92          HG2       LYS  92  -3.674  -8.327   0.719
  718   2HG   LYS  92          HG3       LYS  92  -4.123  -7.150   1.948
  719   1HD   LYS  92          HD2       LYS  92  -6.121  -8.110  -0.125
  720   2HD   LYS  92          HD3       LYS  92  -5.777  -9.102   1.274
  721   1HE   LYS  92          HE2       LYS  92  -6.621  -7.535   2.815
  722   2HE   LYS  92          HE3       LYS  92  -6.715  -6.244   1.618
  723   1HZ   LYS  92          HZ1       LYS  92  -8.225  -8.718   1.191
  724   2HZ   LYS  92          HZ2       LYS  92  -8.856  -7.534   2.161
  725   3HZ   LYS  92          HZ3       LYS  92  -8.526  -7.283   0.588
  726    H    GLN  93           H        GLN  93  -2.638  -4.199   1.153
  727    HA   GLN  93           HA       GLN  93  -3.604  -4.424   3.861
  728   1HB   GLN  93          HB2       GLN  93  -1.171  -4.634   3.095
  729   2HB   GLN  93          HB3       GLN  93  -1.073  -2.889   3.254
  730   1HG   GLN  93          HG2       GLN  93  -2.282  -4.432   5.570
  731   2HG   GLN  93          HG3       GLN  93  -0.603  -4.738   5.230
  732   1HE2  GLN  93          2HE2      GLN  93  -2.826  -1.880   5.904
  733   2HE2  GLN  93          1HE2      GLN  93  -1.506  -0.995   6.670
  734    H    ARG  94           H        ARG  94  -3.629  -1.678   1.573
  735    HA   ARG  94           HA       ARG  94  -4.417   0.247   3.562
  736   1HB   ARG  94          HB2       ARG  94  -4.883   0.115   0.562
  737   2HB   ARG  94          HB3       ARG  94  -5.581   1.386   1.545
  738   1HG   ARG  94          HG2       ARG  94  -2.613   0.855   1.198
  739   2HG   ARG  94          HG3       ARG  94  -3.561   2.194   0.558
  740   1HD   ARG  94          HD2       ARG  94  -2.854   1.589   3.430
  741   2HD   ARG  94          HD3       ARG  94  -2.252   2.947   2.482
  742    HE   ARG  94           HE       ARG  94  -4.676   2.841   4.065
  743   1HH1  ARG  94          1HH2      ARG  94  -3.601   4.273   1.025
  744   2HH1  ARG  94          2HH2      ARG  94  -4.897   5.473   1.174
  745   1HH2  ARG  94          1HH1      ARG  94  -6.347   4.417   3.962
  746   2HH2  ARG  94          2HH1      ARG  94  -6.184   5.568   2.657
  747    H    THR  95           H        THR  95  -6.481  -1.850   1.390
  748    HA   THR  95           HA       THR  95  -8.900  -1.031   2.576
  749    HB   THR  95           HB       THR  95  -8.719  -3.925   1.769
  750    HG1  THR  95           HG1      THR  95  -8.269  -3.540  -0.248
  751   1HG2  THR  95          1HG2      THR  95 -10.805  -3.242   0.577
  752   2HG2  THR  95          2HG2      THR  95 -10.878  -2.759   2.297
  753   3HG2  THR  95          3HG2      THR  95 -10.487  -1.566   1.038
  754    H    ALA  96           H        ALA  96  -6.667  -3.637   3.600
  755    HA   ALA  96           HA       ALA  96  -8.144  -4.460   5.876
  756   1HB   ALA  96          HB1       ALA  96  -5.130  -4.505   5.438
  757   2HB   ALA  96          HB2       ALA  96  -6.038  -5.478   6.610
  758   3HB   ALA  96          HB3       ALA  96  -6.276  -5.732   4.872
  759    H    LYS  97           H        LYS  97  -5.564  -1.933   5.659
  760    HA   LYS  97           HA       LYS  97  -5.585  -1.106   8.368
  761   1HB   LYS  97          HB2       LYS  97  -3.988   0.266   7.686
  762   2HB   LYS  97          HB3       LYS  97  -4.258  -0.251   6.051
  763   1HG   LYS  97          HG2       LYS  97  -4.232   2.002   5.847
  764   2HG   LYS  97          HG3       LYS  97  -5.961   1.670   5.830
  765   1HD   LYS  97          HD2       LYS  97  -5.998   2.258   8.303
  766   2HD   LYS  97          HD3       LYS  97  -4.285   2.668   8.177
  767   1HE   LYS  97          HE2       LYS  97  -4.855   4.351   6.405
  768   2HE   LYS  97          HE3       LYS  97  -6.570   4.001   6.672
  769   1HZ   LYS  97          HZ1       LYS  97  -5.764   5.934   7.969
  770   2HZ   LYS  97          HZ2       LYS  97  -6.293   4.739   8.966
  771   3HZ   LYS  97          HZ3       LYS  97  -4.693   4.984   8.739
  772    H    TYR  98           H        TYR  98  -7.654  -0.058   5.717
  773    HA   TYR  98           HA       TYR  98  -9.217   1.753   7.225
  774   1HB   TYR  98          HB2       TYR  98  -9.757   0.151   4.728
  775   2HB   TYR  98          HB3       TYR  98 -11.071   1.004   5.556
  776    HD1  TYR  98           HD1      TYR  98 -10.549   3.439   6.281
  777    HD2  TYR  98           HD2      TYR  98  -8.602   1.356   3.068
  778    HE1  TYR  98           HE1      TYR  98  -9.983   5.624   5.214
  779    HE2  TYR  98           HE2      TYR  98  -8.213   3.454   1.884
  780    HH   TYR  98           HH       TYR  98  -8.734   5.950   1.951
  781    H    VAL  99           H        VAL  99 -10.090  -1.712   6.562
  782    HA   VAL  99           HA       VAL  99 -12.231  -1.552   8.476
  783    HB   VAL  99           HB       VAL  99 -12.469  -3.971   8.296
  784   1HG1  VAL  99          1HG1      VAL  99 -13.510  -2.415   6.734
  785   2HG1  VAL  99          2HG1      VAL  99 -12.116  -2.520   5.646
  786   3HG1  VAL  99          3HG1      VAL  99 -13.123  -3.953   5.941
  787   1HG2  VAL  99          1HG2      VAL  99 -11.168  -5.311   6.761
  788   2HG2  VAL  99          2HG2      VAL  99 -10.158  -3.925   6.329
  789   3HG2  VAL  99          3HG2      VAL  99 -10.061  -4.621   7.966
  790    H    ALA 100           H        ALA 100  -8.847  -2.211   9.025
  791    HA   ALA 100           HA       ALA 100  -9.208  -3.169  11.714
  792   1HB   ALA 100          HB1       ALA 100  -7.125  -3.515  10.454
  793   2HB   ALA 100          HB2       ALA 100  -6.847  -1.754  10.411
  794   3HB   ALA 100          HB3       ALA 100  -6.826  -2.626  11.962
  795    H    ASN 101           H        ASN 101  -8.420   0.167  10.464
  796    HA   ASN 101           HA       ASN 101  -8.812   1.241  13.148
  797   1HB   ASN 101          HB2       ASN 101  -8.033   3.260  12.378
  798   2HB   ASN 101          HB3       ASN 101  -7.073   2.049  11.556
  799   1HD2  ASN 101          2HD2      ASN 101  -9.887   2.073   9.579
  800   2HD2  ASN 101          1HD2      ASN 101  -9.421   3.529   8.711
  801    H    GLN 102           H        GLN 102 -10.955   0.699  10.560
  802    HA   GLN 102           HA       GLN 102 -13.248   1.867  11.964
  803   1HB   GLN 102          HB2       GLN 102 -12.359   2.629   9.144
  804   2HB   GLN 102          HB3       GLN 102 -14.006   2.825   9.726
  805   1HG   GLN 102          HG2       GLN 102 -11.592   4.248  10.938
  806   2HG   GLN 102          HG3       GLN 102 -12.740   4.942   9.802
  807   1HE2  GLN 102          2HE2      GLN 102 -12.408   3.670  13.084
  808   2HE2  GLN 102          1HE2      GLN 102 -14.078   3.961  13.492
  809    HA   PRO 103           HA       PRO 103 -14.041  -2.419  10.277
  810   1HB   PRO 103          HB2       PRO 103 -15.583  -2.265  12.862
  811   2HB   PRO 103          HB3       PRO 103 -14.762  -3.674  12.121
  812   1HG   PRO 103          HG2       PRO 103 -13.601  -2.349  14.171
  813   2HG   PRO 103          HG3       PRO 103 -12.617  -2.842  12.768
  814   1HD   PRO 103          HD2       PRO 103 -13.755  -0.116  13.374
  815   2HD   PRO 103          HD3       PRO 103 -12.154  -0.581  12.728
  816    H    GLY 104           H        GLY 104 -15.914   0.435  10.893
  817   1HA   GLY 104          HA2       GLY 104 -17.754   1.110   9.536
  818   2HA   GLY 104          HA3       GLY 104 -18.137  -0.581   9.177
  819    H    MET 105           H        MET 105 -18.187  -1.758  11.534
  820    HA   MET 105           HA       MET 105 -20.468  -0.732  13.081
  821   1HB   MET 105          HB2       MET 105 -20.125  -2.708  14.500
  822   2HB   MET 105          HB3       MET 105 -20.173  -3.136  12.791
  823   1HG   MET 105          HG2       MET 105 -17.712  -3.309  12.733
  824   2HG   MET 105          HG3       MET 105 -17.630  -2.813  14.429
  825   1HE   MET 105          HE1       MET 105 -16.270  -5.464  13.097
  826   2HE   MET 105          HE2       MET 105 -16.027  -4.902  14.770
  827   3HE   MET 105          HE3       MET 105 -16.507  -6.584  14.452
  828    H    GLN 106           H        GLN 106 -17.246   0.093  12.994
  829    HA   GLN 106           HA       GLN 106 -17.169   1.681  15.372
  830   1HB   GLN 106          HB2       GLN 106 -16.395  -0.417  16.320
  831   2HB   GLN 106          HB3       GLN 106 -15.330  -0.718  14.953
  832   1HG   GLN 106          HG2       GLN 106 -14.041  -0.056  16.895
  833   2HG   GLN 106          HG3       GLN 106 -13.866   1.151  15.631
  834   1HE2  GLN 106          2HE2      GLN 106 -15.246   3.148  15.850
  835   2HE2  GLN 106          1HE2      GLN 106 -15.506   3.734  17.514
  Start of MODEL    4
    1   1H    GLU   1          H1        GLU   1  15.774  -8.478  -8.577
    2   2H    GLU   1          H2        GLU   1  15.791  -9.776  -7.616
    3   3H    GLU   1          H3        GLU   1  17.175  -9.331  -8.355
    4    HA   GLU   1           HA       GLU   1  14.767 -10.047  -9.875
    5   1HB   GLU   1          HB2       GLU   1  16.918  -8.696 -10.764
    6   2HB   GLU   1          HB3       GLU   1  17.541 -10.318 -10.958
    7   1HG   GLU   1          HG2       GLU   1  16.573  -9.848 -13.023
    8   2HG   GLU   1          HG3       GLU   1  15.314 -10.809 -12.254
    9    H    GLY   2           H        GLY   2  16.778 -11.625  -7.585
   10   1HA   GLY   2          HA2       GLY   2  17.275 -14.069  -9.135
   11   2HA   GLY   2          HA3       GLY   2  17.796 -13.686  -7.489
   12    H    GLN   3           H        GLN   3  14.506 -13.213  -8.495
   13    HA   GLN   3           HA       GLN   3  12.495 -13.896  -7.700
   14   1HB   GLN   3          HB2       GLN   3  13.826 -16.628  -7.892
   15   2HB   GLN   3          HB3       GLN   3  12.099 -16.362  -7.748
   16   1HG   GLN   3          HG2       GLN   3  12.408 -14.797  -9.841
   17   2HG   GLN   3          HG3       GLN   3  13.931 -15.653 -10.067
   18   1HE2  GLN   3          2HE2      GLN   3  13.804 -17.637 -11.209
   19   2HE2  GLN   3          1HE2      GLN   3  12.256 -18.451 -11.461
   20    H    SER   4           H        SER   4  14.892 -13.867  -5.576
   21    HA   SER   4           HA       SER   4  13.147 -14.643  -3.268
   22   1HB   SER   4          HB2       SER   4  14.877 -16.360  -3.740
   23   2HB   SER   4          HB3       SER   4  16.128 -15.106  -3.615
   24    HG   SER   4           HG       SER   4  14.989 -14.728  -1.480
   25    H    ASP   5           H        ASP   5  14.693 -11.985  -4.663
   26    HA   ASP   5           HA       ASP   5  15.467 -10.795  -2.068
   27   1HB   ASP   5          HB2       ASP   5  16.214  -8.884  -3.502
   28   2HB   ASP   5          HB3       ASP   5  17.052 -10.400  -3.784
   29    H    GLU   6           H        GLU   6  13.064 -10.420  -4.722
   30    HA   GLU   6           HA       GLU   6  12.132  -7.912  -3.890
   31   1HB   GLU   6          HB2       GLU   6  10.480  -8.092  -5.499
   32   2HB   GLU   6          HB3       GLU   6  11.934  -8.844  -6.158
   33   1HG   GLU   6          HG2       GLU   6   9.503 -10.337  -5.098
   34   2HG   GLU   6          HG3       GLU   6   9.822  -9.973  -6.779
   35    H    ARG   7           H        ARG   7  11.226 -11.001  -2.542
   36    HA   ARG   7           HA       ARG   7   8.703 -10.114  -1.468
   37   1HB   ARG   7          HB2       ARG   7  10.041 -12.543  -1.473
   38   2HB   ARG   7          HB3       ARG   7  10.106 -12.100   0.232
   39   1HG   ARG   7          HG2       ARG   7   7.651 -12.327  -1.551
   40   2HG   ARG   7          HG3       ARG   7   8.135 -13.447  -0.288
   41   1HD   ARG   7          HD2       ARG   7   7.182 -10.575   0.136
   42   2HD   ARG   7          HD3       ARG   7   6.193 -12.009   0.322
   43    HE   ARG   7           HE       ARG   7   7.950 -10.865   2.261
   44   1HH1  ARG   7          2HH2      ARG   7   6.767 -14.038   1.380
   45   2HH1  ARG   7          1HH2      ARG   7   6.808 -14.581   3.057
   46   1HH2  ARG   7          2HH1      ARG   7   7.978 -11.499   4.132
   47   2HH2  ARG   7          1HH1      ARG   7   7.607 -13.129   4.702
   48    H    ALA   8           H        ALA   8  12.024  -9.746  -0.297
   49    HA   ALA   8           HA       ALA   8  11.256  -8.650   2.316
   50   1HB   ALA   8          HB1       ALA   8  13.899  -8.623   0.772
   51   2HB   ALA   8          HB2       ALA   8  13.682  -8.126   2.464
   52   3HB   ALA   8          HB3       ALA   8  13.400  -9.819   1.995
   53    H    LEU   9           H        LEU   9  12.332  -7.342  -0.827
   54    HA   LEU   9           HA       LEU   9  12.224  -4.566  -0.177
   55   1HB   LEU   9          HB2       LEU   9  11.421  -5.631  -2.884
   56   2HB   LEU   9          HB3       LEU   9  12.251  -4.122  -2.527
   57    HG   LEU   9           HG       LEU   9  13.443  -6.905  -2.329
   58   1HD1  LEU   9          1HD1      LEU   9  12.933  -6.128  -4.655
   59   2HD1  LEU   9          2HD1      LEU   9  14.071  -4.799  -4.420
   60   3HD1  LEU   9          3HD1      LEU   9  14.642  -6.485  -4.333
   61   1HD2  LEU   9          1HD2      LEU   9  14.870  -4.231  -2.118
   62   2HD2  LEU   9          2HD2      LEU   9  14.569  -5.350  -0.768
   63   3HD2  LEU   9          3HD2      LEU   9  15.630  -5.845  -2.089
   64    H    LEU  10           H        LEU  10   9.713  -6.782  -1.406
   65    HA   LEU  10           HA       LEU  10   7.489  -5.055  -1.553
   66   1HB   LEU  10          HB2       LEU  10   7.584  -7.214  -2.674
   67   2HB   LEU  10          HB3       LEU  10   7.934  -8.034  -1.155
   68    HG   LEU  10           HG       LEU  10   5.654  -7.625  -0.354
   69   1HD1  LEU  10          1HD1      LEU  10   5.115  -5.566  -1.596
   70   2HD1  LEU  10          2HD1      LEU  10   5.276  -6.425  -3.145
   71   3HD1  LEU  10          3HD1      LEU  10   3.953  -6.843  -2.027
   72   1HD2  LEU  10          1HD2      LEU  10   5.764  -8.891  -3.133
   73   2HD2  LEU  10          2HD2      LEU  10   6.241  -9.693  -1.641
   74   3HD2  LEU  10          3HD2      LEU  10   4.551  -9.195  -1.866
   75    H    ASP  11           H        ASP  11   8.620  -7.230   1.116
   76    HA   ASP  11           HA       ASP  11   6.549  -6.491   2.896
   77   1HB   ASP  11          HB2       ASP  11   9.315  -7.622   3.344
   78   2HB   ASP  11          HB3       ASP  11   8.307  -7.182   4.709
   79    H    GLN  12           H        GLN  12   9.821  -4.997   2.685
   80    HA   GLN  12           HA       GLN  12   9.094  -3.019   4.646
   81   1HB   GLN  12          HB2       GLN  12  11.067  -1.798   4.026
   82   2HB   GLN  12          HB3       GLN  12  11.446  -3.520   4.104
   83   1HG   GLN  12          HG2       GLN  12  11.534  -3.696   1.712
   84   2HG   GLN  12          HG3       GLN  12  10.904  -2.053   1.494
   85   1HE2  GLN  12          2HE2      GLN  12  12.467  -0.616   0.879
   86   2HE2  GLN  12          1HE2      GLN  12  14.146  -0.739   1.464
   87    H    LEU  13           H        LEU  13   8.749  -2.987   1.064
   88    HA   LEU  13           HA       LEU  13   7.807  -0.284   1.063
   89   1HB   LEU  13          HB2       LEU  13   7.814  -2.527  -0.960
   90   2HB   LEU  13          HB3       LEU  13   6.832  -1.094  -1.251
   91    HG   LEU  13           HG       LEU  13   9.756  -0.780  -0.523
   92   1HD1  LEU  13          1HD1      LEU  13  10.221  -0.513  -2.907
   93   2HD1  LEU  13          2HD1      LEU  13   9.737  -2.172  -2.532
   94   3HD1  LEU  13          3HD1      LEU  13   8.563  -1.064  -3.304
   95   1HD2  LEU  13          1HD2      LEU  13   8.416   1.262  -0.371
   96   2HD2  LEU  13          2HD2      LEU  13   9.396   1.335  -1.841
   97   3HD2  LEU  13          3HD2      LEU  13   7.678   0.941  -1.960
   98    H    HIS  14           H        HIS  14   5.911  -3.393   1.334
   99    HA   HIS  14           HA       HIS  14   3.457  -1.848   1.070
  100   1HB   HIS  14          HB2       HIS  14   2.184  -3.725   1.527
  101   2HB   HIS  14          HB3       HIS  14   3.511  -4.223   0.490
  102    HD2  HIS  14           HD2      HIS  14   4.471  -6.500   1.141
  103    HE1  HIS  14           HE1      HIS  14   3.675  -6.521   5.321
  104    HE2  HIS  14           HE2      HIS  14   4.780  -7.797   3.391
  105    H    THR  15           H        THR  15   5.403  -2.934   3.783
  106    HA   THR  15           HA       THR  15   3.834  -1.884   5.927
  107    HB   THR  15           HB       THR  15   6.875  -1.853   5.800
  108    HG1  THR  15           HG1      THR  15   6.323  -3.954   5.361
  109   1HG2  THR  15          1HG2      THR  15   5.917  -0.735   7.769
  110   2HG2  THR  15          2HG2      THR  15   4.952  -2.174   8.143
  111   3HG2  THR  15          3HG2      THR  15   6.724  -2.244   8.208
  112    H    LEU  16           H        LEU  16   6.561  -0.253   4.186
  113    HA   LEU  16           HA       LEU  16   6.197   2.313   5.286
  114   1HB   LEU  16          HB2       LEU  16   8.090   1.793   3.777
  115   2HB   LEU  16          HB3       LEU  16   6.978   1.376   2.494
  116    HG   LEU  16           HG       LEU  16   6.176   3.988   2.822
  117   1HD1  LEU  16          1HD1      LEU  16   8.080   5.406   3.175
  118   2HD1  LEU  16          2HD1      LEU  16   7.693   4.457   4.630
  119   3HD1  LEU  16          3HD1      LEU  16   9.093   4.009   3.602
  120   1HD2  LEU  16          1HD2      LEU  16   7.706   4.544   0.955
  121   2HD2  LEU  16          2HD2      LEU  16   8.420   2.910   1.180
  122   3HD2  LEU  16          3HD2      LEU  16   6.725   3.106   0.721
  123    H    LEU  17           H        LEU  17   4.731   1.015   2.265
  124    HA   LEU  17           HA       LEU  17   3.388   3.442   1.804
  125   1HB   LEU  17          HB2       LEU  17   4.234   1.447   0.274
  126   2HB   LEU  17          HB3       LEU  17   2.601   0.831   0.488
  127    HG   LEU  17           HG       LEU  17   1.785   3.003  -0.559
  128   1HD1  LEU  17          1HD1      LEU  17   3.438   4.407  -1.693
  129   2HD1  LEU  17          2HD1      LEU  17   3.574   4.526   0.054
  130   3HD1  LEU  17          3HD1      LEU  17   4.763   3.545  -0.863
  131   1HD2  LEU  17          1HD2      LEU  17   2.694   2.503  -2.803
  132   2HD2  LEU  17          2HD2      LEU  17   3.998   1.546  -2.077
  133   3HD2  LEU  17          3HD2      LEU  17   2.313   0.986  -1.943
  134    H    SER  18           H        SER  18   2.566   1.053   3.969
  135    HA   SER  18           HA       SER  18  -0.292   1.909   4.019
  136   1HB   SER  18          HB2       SER  18   0.576  -0.885   4.682
  137   2HB   SER  18          HB3       SER  18  -1.033  -0.294   4.209
  138    HG   SER  18           HG       SER  18   1.261  -0.820   2.759
  139    H    ASN  19           H        ASN  19   2.347   2.056   5.745
  140    HA   ASN  19           HA       ASN  19   2.631   1.194   8.085
  141   1HB   ASN  19          HB2       ASN  19   3.930   3.241   8.528
  142   2HB   ASN  19          HB3       ASN  19   4.016   2.814   6.869
  143   1HD2  ASN  19          1HD2      ASN  19   3.528   4.449   5.421
  144   2HD2  ASN  19          2HD2      ASN  19   2.642   5.929   5.856
  145    H    THR  20           H        THR  20  -0.279   2.527   7.770
  146    HA   THR  20           HA       THR  20  -2.013   2.612   9.264
  147    HB   THR  20           HB       THR  20  -1.947   3.432  11.545
  148    HG1  THR  20           HG1      THR  20   0.818   3.398  11.169
  149   1HG2  THR  20          1HG2      THR  20  -0.057   1.097  11.055
  150   2HG2  THR  20          2HG2      THR  20  -0.912   1.478  12.558
  151   3HG2  THR  20          3HG2      THR  20  -1.821   1.032  11.091
  152    H    ASP  21           H        ASP  21   0.102   5.237   8.393
  153    HA   ASP  21           HA       ASP  21  -1.648   7.396   8.973
  154   1HB   ASP  21          HB2       ASP  21   0.690   7.658   8.350
  155   2HB   ASP  21          HB3       ASP  21   0.379   6.984   6.750
  156    H    ALA  22           H        ALA  22  -2.727   8.650   7.444
  157    HA   ALA  22           HA       ALA  22  -3.868   7.502   4.975
  158   1HB   ALA  22          HB1       ALA  22  -5.708   8.469   7.215
  159   2HB   ALA  22          HB2       ALA  22  -6.205   7.999   5.571
  160   3HB   ALA  22          HB3       ALA  22  -5.510   6.784   6.654
  161    H    THR  23           H        THR  23  -2.568  10.199   6.572
  162    HA   THR  23           HA       THR  23  -4.167  12.289   6.140
  163    HB   THR  23           HB       THR  23  -1.116  12.351   5.855
  164    HG1  THR  23           HG1      THR  23  -1.575  11.238   7.715
  165   1HG2  THR  23          1HG2      THR  23  -3.061  14.386   6.981
  166   2HG2  THR  23          2HG2      THR  23  -1.288  14.527   7.004
  167   3HG2  THR  23          3HG2      THR  23  -2.149  14.540   5.461
  168    H    GLY  24           H        GLY  24  -1.634  11.603   3.684
  169   1HA   GLY  24          HA2       GLY  24  -3.497  12.857   1.680
  170   2HA   GLY  24          HA3       GLY  24  -1.751  12.802   1.486
  171    H    LEU  25           H        LEU  25  -2.131   9.922   2.764
  172    HA   LEU  25           HA       LEU  25  -2.201   8.267   0.410
  173   1HB   LEU  25          HB2       LEU  25  -2.618   7.794   3.354
  174   2HB   LEU  25          HB3       LEU  25  -2.902   6.492   2.200
  175    HG   LEU  25           HG       LEU  25  -0.256   7.966   2.187
  176   1HD1  LEU  25          1HD1      LEU  25  -1.065   5.651   3.988
  177   2HD1  LEU  25          2HD1      LEU  25   0.601   6.216   3.752
  178   3HD1  LEU  25          3HD1      LEU  25  -0.606   7.276   4.508
  179   1HD2  LEU  25          1HD2      LEU  25   0.521   5.793   1.289
  180   2HD2  LEU  25          2HD2      LEU  25  -1.096   5.094   1.515
  181   3HD2  LEU  25          3HD2      LEU  25  -0.830   6.378   0.318
  182    H    GLU  26           H        GLU  26  -4.801   9.558   2.485
  183    HA   GLU  26           HA       GLU  26  -6.967   8.142   1.640
  184   1HB   GLU  26          HB2       GLU  26  -8.275  10.132   2.236
  185   2HB   GLU  26          HB3       GLU  26  -7.011   9.792   3.381
  186   1HG   GLU  26          HG2       GLU  26  -6.818  12.018   3.295
  187   2HG   GLU  26          HG3       GLU  26  -5.577  11.575   2.131
  188    H    GLU  27           H        GLU  27  -5.438  10.701  -0.351
  189    HA   GLU  27           HA       GLU  27  -7.276  10.510  -2.537
  190   1HB   GLU  27          HB2       GLU  27  -5.619  12.373  -2.157
  191   2HB   GLU  27          HB3       GLU  27  -4.325  11.262  -2.589
  192   1HG   GLU  27          HG2       GLU  27  -4.854  12.625  -4.520
  193   2HG   GLU  27          HG3       GLU  27  -5.408  10.989  -4.856
  194    H    ILE  28           H        ILE  28  -4.120   8.957  -1.974
  195    HA   ILE  28           HA       ILE  28  -4.024   7.417  -4.388
  196    HB   ILE  28           HB       ILE  28  -2.765   6.559  -1.769
  197   1HG1  ILE  28          2HG1      ILE  28  -2.208   8.884  -1.788
  198   2HG1  ILE  28          3HG1      ILE  28  -0.804   7.933  -2.207
  199   1HG2  ILE  28          1HG2      ILE  28  -2.496   5.054  -3.707
  200   2HG2  ILE  28          2HG2      ILE  28  -1.778   6.361  -4.659
  201   3HG2  ILE  28          3HG2      ILE  28  -0.965   5.750  -3.208
  202   1HD1  ILE  28          1HD1      ILE  28  -0.927   9.966  -3.545
  203   2HD1  ILE  28          2HD1      ILE  28  -1.093   8.557  -4.613
  204   3HD1  ILE  28          3HD1      ILE  28  -2.524   9.526  -4.171
  205    H    ASP  29           H        ASP  29  -5.401   6.804  -1.236
  206    HA   ASP  29           HA       ASP  29  -6.202   4.092  -1.529
  207   1HB   ASP  29          HB2       ASP  29  -7.264   6.341   0.226
  208   2HB   ASP  29          HB3       ASP  29  -7.796   4.678   0.338
  209    H    ARG  30           H        ARG  30  -8.181   7.135  -1.893
  210    HA   ARG  30           HA       ARG  30 -10.385   5.717  -3.081
  211   1HB   ARG  30          HB2       ARG  30 -11.382   7.804  -3.626
  212   2HB   ARG  30          HB3       ARG  30 -10.689   7.864  -2.008
  213   1HG   ARG  30          HG2       ARG  30  -8.811   9.159  -2.763
  214   2HG   ARG  30          HG3       ARG  30  -9.320   9.096  -4.445
  215   1HD   ARG  30          HD2       ARG  30 -11.200  10.507  -4.026
  216   2HD   ARG  30          HD3       ARG  30 -11.161  10.184  -2.284
  217    HE   ARG  30           HE       ARG  30  -9.154  11.838  -3.761
  218   1HH1  ARG  30          1HH2      ARG  30 -10.485  10.884  -0.637
  219   2HH1  ARG  30          2HH2      ARG  30  -9.480  12.096   0.166
  220   1HH2  ARG  30          2HH1      ARG  30  -8.027  13.348  -2.606
  221   2HH2  ARG  30          1HH1      ARG  30  -7.930  13.130  -0.882
  222    H    ALA  31           H        ALA  31  -7.511   7.135  -4.604
  223    HA   ALA  31           HA       ALA  31  -8.299   6.825  -7.292
  224   1HB   ALA  31          HB1       ALA  31  -6.263   8.041  -6.547
  225   2HB   ALA  31          HB2       ALA  31  -5.520   6.496  -6.087
  226   3HB   ALA  31          HB3       ALA  31  -5.915   6.834  -7.789
  227    H    LEU  32           H        LEU  32  -7.566   4.293  -4.985
  228    HA   LEU  32           HA       LEU  32  -7.845   2.248  -7.155
  229   1HB   LEU  32          HB2       LEU  32  -6.570   1.851  -4.427
  230   2HB   LEU  32          HB3       LEU  32  -6.661   0.693  -5.731
  231    HG   LEU  32           HG       LEU  32  -5.054   3.297  -5.765
  232   1HD1  LEU  32          1HD1      LEU  32  -3.123   1.854  -5.555
  233   2HD1  LEU  32          2HD1      LEU  32  -4.274   1.417  -4.267
  234   3HD1  LEU  32          3HD1      LEU  32  -4.114   0.385  -5.687
  235   1HD2  LEU  32          1HD2      LEU  32  -4.070   2.409  -7.821
  236   2HD2  LEU  32          2HD2      LEU  32  -5.226   1.045  -7.814
  237   3HD2  LEU  32          3HD2      LEU  32  -5.802   2.706  -8.032
  238    H    GLY  33           H        GLY  33  -9.891   3.842  -5.400
  239   1HA   GLY  33          HA2       GLY  33 -11.978   3.409  -4.592
  240   2HA   GLY  33          HA3       GLY  33 -11.816   1.758  -5.208
  241    H    ILE  34           H        ILE  34  -9.374   2.496  -2.908
  242    HA   ILE  34           HA       ILE  34  -9.996   0.346  -1.224
  243    HB   ILE  34           HB       ILE  34  -8.207   2.706  -0.800
  244   1HG1  ILE  34          2HG1      ILE  34  -7.510  -0.226  -1.216
  245   2HG1  ILE  34          3HG1      ILE  34  -7.854   0.785  -2.606
  246   1HG2  ILE  34          1HG2      ILE  34  -7.268   1.554   1.111
  247   2HG2  ILE  34          2HG2      ILE  34  -8.992   1.791   1.391
  248   3HG2  ILE  34          3HG2      ILE  34  -8.414   0.200   0.926
  249   1HD1  ILE  34          1HD1      ILE  34  -6.007   2.188  -2.252
  250   2HD1  ILE  34          2HD1      ILE  34  -5.691   1.561  -0.611
  251   3HD1  ILE  34          3HD1      ILE  34  -5.425   0.550  -2.054
  252    HA   PRO  35           HA       PRO  35 -12.347   3.008   1.989
  253   1HB   PRO  35          HB2       PRO  35 -13.283   5.275   0.256
  254   2HB   PRO  35          HB3       PRO  35 -12.931   5.263   2.013
  255   1HG   PRO  35          HG2       PRO  35 -11.103   6.290   0.316
  256   2HG   PRO  35          HG3       PRO  35 -10.557   5.139   1.592
  257   1HD   PRO  35          HD2       PRO  35 -11.213   4.543  -1.313
  258   2HD   PRO  35          HD3       PRO  35  -9.731   4.132  -0.396
  259    H    GLU  36           H        GLU  36 -13.434   2.658  -1.400
  260    HA   GLU  36           HA       GLU  36 -16.248   2.248  -0.678
  261   1HB   GLU  36          HB2       GLU  36 -15.644   3.213  -2.860
  262   2HB   GLU  36          HB3       GLU  36 -14.757   1.754  -3.299
  263   1HG   GLU  36          HG2       GLU  36 -17.721   1.842  -2.642
  264   2HG   GLU  36          HG3       GLU  36 -17.078   2.005  -4.272
  265    H    LEU  37           H        LEU  37 -13.480   0.263  -1.767
  266    HA   LEU  37           HA       LEU  37 -14.545  -2.315  -1.436
  267   1HB   LEU  37          HB2       LEU  37 -11.721  -1.341  -0.881
  268   2HB   LEU  37          HB3       LEU  37 -12.183  -3.035  -1.047
  269    HG   LEU  37           HG       LEU  37 -12.429  -0.936  -3.253
  270   1HD1  LEU  37          1HD1      LEU  37 -10.078  -1.458  -2.698
  271   2HD1  LEU  37          2HD1      LEU  37 -10.414  -3.198  -2.887
  272   3HD1  LEU  37          3HD1      LEU  37 -10.531  -2.108  -4.281
  273   1HD2  LEU  37          1HD2      LEU  37 -14.076  -2.693  -3.575
  274   2HD2  LEU  37          2HD2      LEU  37 -12.759  -2.895  -4.731
  275   3HD2  LEU  37          3HD2      LEU  37 -12.824  -3.957  -3.308
  276    H    VAL  38           H        VAL  38 -12.934  -0.314   1.009
  277    HA   VAL  38           HA       VAL  38 -13.388  -1.825   3.350
  278    HB   VAL  38           HB       VAL  38 -13.112   1.116   2.746
  279   1HG1  VAL  38          1HG1      VAL  38 -12.727   1.640   5.076
  280   2HG1  VAL  38          2HG1      VAL  38 -14.377   1.146   4.805
  281   3HG1  VAL  38          3HG1      VAL  38 -13.231  -0.002   5.562
  282   1HG2  VAL  38          1HG2      VAL  38 -11.233  -0.716   4.277
  283   2HG2  VAL  38          2HG2      VAL  38 -11.213  -0.630   2.516
  284   3HG2  VAL  38          3HG2      VAL  38 -10.887   0.837   3.444
  285    H    ASN  39           H        ASN  39 -15.554   0.746   1.974
  286    HA   ASN  39           HA       ASN  39 -17.549   0.495   3.956
  287   1HB   ASN  39          HB2       ASN  39 -17.343   2.424   2.480
  288   2HB   ASN  39          HB3       ASN  39 -17.790   1.433   1.076
  289   1HD2  ASN  39          1HD2      ASN  39 -19.228   2.016   4.449
  290   2HD2  ASN  39          2HD2      ASN  39 -20.806   2.260   3.702
  291    H    GLN  40           H        GLN  40 -17.307  -1.248   0.816
  292    HA   GLN  40           HA       GLN  40 -19.705  -2.815   1.430
  293   1HB   GLN  40          HB2       GLN  40 -19.307  -4.075  -0.546
  294   2HB   GLN  40          HB3       GLN  40 -19.119  -2.371  -0.885
  295   1HG   GLN  40          HG2       GLN  40 -16.707  -2.564  -1.014
  296   2HG   GLN  40          HG3       GLN  40 -16.747  -4.211  -0.371
  297   1HE2  GLN  40          2HE2      GLN  40 -17.587  -2.247  -3.269
  298   2HE2  GLN  40          1HE2      GLN  40 -17.586  -3.655  -4.328
  299    H    GLY  41           H        GLY  41 -16.411  -3.145   2.391
  300   1HA   GLY  41          HA2       GLY  41 -15.831  -4.472   4.257
  301   2HA   GLY  41          HA3       GLY  41 -17.029  -5.690   3.810
  302    H    GLN  42           H        GLN  42 -15.252  -4.702   1.114
  303    HA   GLN  42           HA       GLN  42 -13.961  -7.290   0.744
  304   1HB   GLN  42          HB2       GLN  42 -15.159  -5.886  -0.993
  305   2HB   GLN  42          HB3       GLN  42 -13.827  -4.739  -0.942
  306   1HG   GLN  42          HG2       GLN  42 -13.818  -7.644  -1.848
  307   2HG   GLN  42          HG3       GLN  42 -13.644  -6.217  -2.857
  308   1HE2  GLN  42          2HE2      GLN  42 -11.989  -8.452  -0.843
  309   2HE2  GLN  42          1HE2      GLN  42 -10.354  -7.916  -1.131
  310    H    ALA  43           H        ALA  43 -12.294  -7.520   2.214
  311    HA   ALA  43           HA       ALA  43  -9.951  -5.751   2.081
  312   1HB   ALA  43          HB1       ALA  43 -10.128  -4.955   4.436
  313   2HB   ALA  43          HB2       ALA  43 -11.469  -4.366   3.445
  314   3HB   ALA  43          HB3       ALA  43 -11.724  -5.729   4.559
  315    H    LEU  44           H        LEU  44 -11.396  -8.679   3.387
  316    HA   LEU  44           HA       LEU  44  -8.872  -9.308   4.865
  317   1HB   LEU  44          HB2       LEU  44 -11.709 -10.210   5.448
  318   2HB   LEU  44          HB3       LEU  44 -10.267 -10.674   6.354
  319    HG   LEU  44           HG       LEU  44 -11.403  -7.852   6.142
  320   1HD1  LEU  44          1HD1      LEU  44 -12.043  -8.154   8.469
  321   2HD1  LEU  44          2HD1      LEU  44 -12.788  -9.406   7.470
  322   3HD1  LEU  44          3HD1      LEU  44 -11.378  -9.803   8.477
  323   1HD2  LEU  44          1HD2      LEU  44  -9.047  -8.933   7.776
  324   2HD2  LEU  44          2HD2      LEU  44  -8.965  -7.737   6.470
  325   3HD2  LEU  44          3HD2      LEU  44  -9.776  -7.325   7.976
  326    H    GLU  45           H        GLU  45 -10.883 -10.262   2.318
  327    HA   GLU  45           HA       GLU  45 -10.244 -13.011   2.033
  328   1HB   GLU  45          HB2       GLU  45 -10.783 -11.110  -0.291
  329   2HB   GLU  45          HB3       GLU  45 -11.209 -12.798  -0.141
  330   1HG   GLU  45          HG2       GLU  45 -13.271 -11.919   0.216
  331   2HG   GLU  45          HG3       GLU  45 -12.742 -11.969   1.880
  332    HA   PRO  46           HA       PRO  46  -6.178 -13.228   0.161
  333   1HB   PRO  46          HB2       PRO  46  -7.371 -14.055  -2.482
  334   2HB   PRO  46          HB3       PRO  46  -5.995 -14.794  -1.602
  335   1HG   PRO  46          HG2       PRO  46  -8.398 -15.971  -1.452
  336   2HG   PRO  46          HG3       PRO  46  -7.462 -15.724   0.057
  337   1HD   PRO  46          HD2       PRO  46  -9.716 -14.040  -1.044
  338   2HD   PRO  46          HD3       PRO  46  -9.498 -14.655   0.615
  339    H    LYS  47           H        LYS  47  -8.263 -10.860  -1.138
  340    HA   LYS  47           HA       LYS  47  -6.049  -9.411  -2.420
  341   1HB   LYS  47          HB2       LYS  47  -7.160 -10.714  -4.204
  342   2HB   LYS  47          HB3       LYS  47  -8.695  -9.953  -3.832
  343   1HG   LYS  47          HG2       LYS  47  -6.597  -7.921  -4.290
  344   2HG   LYS  47          HG3       LYS  47  -6.673  -9.075  -5.600
  345   1HD   LYS  47          HD2       LYS  47  -8.115  -7.136  -6.052
  346   2HD   LYS  47          HD3       LYS  47  -9.013  -8.640  -6.016
  347   1HE   LYS  47          HE2       LYS  47 -10.347  -7.004  -4.928
  348   2HE   LYS  47          HE3       LYS  47  -9.777  -8.124  -3.699
  349   1HZ   LYS  47          HZ1       LYS  47  -8.628  -5.432  -4.183
  350   2HZ   LYS  47          HZ2       LYS  47  -9.627  -5.870  -2.957
  351   3HZ   LYS  47          HZ3       LYS  47  -8.168  -6.523  -3.004
  352    HT1  PRO  48           H2       PRO  48  14.883  -6.189 -13.515
  353    HT2  PRO  48           H3       PRO  48  14.229  -5.134 -14.585
  354    HA   PRO  48           HA       PRO  48  13.215  -5.995 -11.990
  355   1HB   PRO  48          HB2       PRO  48  11.874  -3.618 -13.146
  356   2HB   PRO  48          HB3       PRO  48  12.341  -3.997 -11.480
  357   1HG   PRO  48          HG2       PRO  48  13.818  -2.540 -13.636
  358   2HG   PRO  48          HG3       PRO  48  14.143  -2.501 -11.886
  359   1HD   PRO  48          HD2       PRO  48  15.824  -3.753 -13.535
  360   2HD   PRO  48          HD3       PRO  48  15.401  -4.547 -11.983
  361    H    ASN  49           H        ASN  49  12.575  -7.930 -12.865
  362    HA   ASN  49           HA       ASN  49  10.140  -7.711 -14.503
  363   1HB   ASN  49          HB2       ASN  49  10.889  -9.842 -15.758
  364   2HB   ASN  49          HB3       ASN  49  11.587  -8.303 -16.242
  365   1HD2  ASN  49          2HD2      ASN  49  13.839  -8.332 -16.562
  366   2HD2  ASN  49          1HD2      ASN  49  14.856  -9.497 -15.708
  367    H    ARG  50           H        ARG  50  11.955 -10.519 -13.140
  368    HA   ARG  50           HA       ARG  50   9.560 -11.328 -11.682
  369   1HB   ARG  50          HB2       ARG  50  12.376 -12.351 -11.809
  370   2HB   ARG  50          HB3       ARG  50  11.514 -12.644 -10.325
  371   1HG   ARG  50          HG2       ARG  50  10.379 -13.317 -13.076
  372   2HG   ARG  50          HG3       ARG  50  11.280 -14.464 -12.115
  373   1HD   ARG  50          HD2       ARG  50   8.638 -13.168 -11.242
  374   2HD   ARG  50          HD3       ARG  50   8.811 -14.763 -11.971
  375    HE   ARG  50           HE       ARG  50   9.856 -15.595 -10.023
  376   1HH1  ARG  50          1HH2      ARG  50   9.083 -12.102  -9.308
  377   2HH1  ARG  50          2HH2      ARG  50   9.534 -12.509  -7.677
  378   1HH2  ARG  50          2HH1      ARG  50  10.148 -15.706  -7.783
  379   2HH2  ARG  50          1HH1      ARG  50  10.104 -14.157  -6.947
  380    H    SER  51           H        SER  51  12.447  -9.425 -10.803
  381    HA   SER  51           HA       SER  51  11.214  -8.792  -8.192
  382   1HB   SER  51          HB2       SER  51  13.123  -7.365  -7.733
  383   2HB   SER  51          HB3       SER  51  13.558  -9.025  -8.069
  384    HG   SER  51           HG       SER  51  13.892  -8.040 -10.362
  385    H    ILE  52           H        ILE  52   9.445  -7.801  -8.524
  386    HA   ILE  52           HA       ILE  52   9.062  -5.796 -10.561
  387    HB   ILE  52           HB       ILE  52   6.741  -5.670  -9.535
  388   1HG1  ILE  52          2HG1      ILE  52   7.062  -6.386  -7.315
  389   2HG1  ILE  52          3HG1      ILE  52   5.811  -7.257  -8.201
  390   1HG2  ILE  52          1HG2      ILE  52   7.207  -6.870 -11.565
  391   2HG2  ILE  52          2HG2      ILE  52   7.762  -8.282 -10.683
  392   3HG2  ILE  52          3HG2      ILE  52   6.055  -7.784 -10.595
  393   1HD1  ILE  52          1HD1      ILE  52   6.846  -8.918  -6.920
  394   2HD1  ILE  52          2HD1      ILE  52   7.559  -9.100  -8.541
  395   3HD1  ILE  52          3HD1      ILE  52   8.456  -8.272  -7.220
  396    H    SER  53           H        SER  53  10.312  -5.513  -7.456
  397    HA   SER  53           HA       SER  53   9.452  -2.679  -7.233
  398   1HB   SER  53          HB2       SER  53   9.625  -3.020  -4.767
  399   2HB   SER  53          HB3       SER  53   8.331  -3.933  -5.544
  400    HG   SER  53           HG       SER  53   9.483  -5.312  -4.147
  401    HA   PRO  54           HA       PRO  54  14.165  -2.767  -6.142
  402   1HB   PRO  54          HB2       PRO  54  15.731  -3.159  -8.298
  403   2HB   PRO  54          HB3       PRO  54  15.115  -4.529  -7.307
  404   1HG   PRO  54          HG2       PRO  54  13.864  -3.355  -9.825
  405   2HG   PRO  54          HG3       PRO  54  14.320  -5.077  -9.551
  406   1HD   PRO  54          HD2       PRO  54  11.824  -4.167  -9.175
  407   2HD   PRO  54          HD3       PRO  54  12.507  -5.339  -8.006
  408    H    SER  55           H        SER  55  12.301  -1.585  -8.846
  409    HA   SER  55           HA       SER  55  13.690   0.980  -9.132
  410   1HB   SER  55          HB2       SER  55  11.538   1.555 -10.354
  411   2HB   SER  55          HB3       SER  55  12.465   0.207 -11.051
  412    HG   SER  55           HG       SER  55  10.245  -0.271 -10.901
  413    H    ALA  56           H        ALA  56  10.473   0.002  -7.905
  414    HA   ALA  56           HA       ALA  56   9.803   2.283  -6.479
  415   1HB   ALA  56          HB1       ALA  56   8.236   0.579  -6.862
  416   2HB   ALA  56          HB2       ALA  56   9.213  -0.671  -6.026
  417   3HB   ALA  56          HB3       ALA  56   8.403   0.603  -5.097
  418    H    LEU  57           H        LEU  57  11.932  -0.290  -5.409
  419    HA   LEU  57           HA       LEU  57  12.423   0.398  -2.742
  420   1HB   LEU  57          HB2       LEU  57  13.168  -1.670  -3.775
  421   2HB   LEU  57          HB3       LEU  57  14.029  -0.771  -5.026
  422    HG   LEU  57           HG       LEU  57  15.728  -0.067  -3.321
  423   1HD1  LEU  57          1HD1      LEU  57  15.836  -1.549  -1.284
  424   2HD1  LEU  57          2HD1      LEU  57  14.482  -0.395  -1.265
  425   3HD1  LEU  57          3HD1      LEU  57  14.188  -2.106  -1.659
  426   1HD2  LEU  57          1HD2      LEU  57  16.815  -2.316  -3.404
  427   2HD2  LEU  57          2HD2      LEU  57  15.278  -2.993  -3.974
  428   3HD2  LEU  57          3HD2      LEU  57  16.135  -1.803  -4.952
  429    H    GLN  58           H        GLN  58  13.642   1.952  -5.699
  430    HA   GLN  58           HA       GLN  58  15.351   3.852  -4.164
  431   1HB   GLN  58          HB2       GLN  58  14.800   3.497  -7.137
  432   2HB   GLN  58          HB3       GLN  58  15.906   4.683  -6.447
  433   1HG   GLN  58          HG2       GLN  58  17.421   3.049  -5.673
  434   2HG   GLN  58          HG3       GLN  58  16.283   1.728  -5.861
  435   1HE2  GLN  58          2HE2      GLN  58  16.030   0.645  -7.890
  436   2HE2  GLN  58          1HE2      GLN  58  17.093   1.156  -9.214
  437    H    ASP  59           H        ASP  59  12.459   3.690  -6.164
  438    HA   ASP  59           HA       ASP  59  11.852   6.545  -5.859
  439   1HB   ASP  59          HB2       ASP  59  11.059   4.307  -7.720
  440   2HB   ASP  59          HB3       ASP  59   9.999   5.696  -7.602
  441    H    LEU  60           H        LEU  60   9.957   3.616  -5.052
  442    HA   LEU  60           HA       LEU  60   7.657   5.311  -4.422
  443   1HB   LEU  60          HB2       LEU  60   7.557   3.019  -5.461
  444   2HB   LEU  60          HB3       LEU  60   8.087   2.346  -3.923
  445    HG   LEU  60           HG       LEU  60   6.045   2.718  -2.899
  446   1HD1  LEU  60          1HD1      LEU  60   5.455   4.869  -4.977
  447   2HD1  LEU  60          2HD1      LEU  60   4.232   4.177  -3.906
  448   3HD1  LEU  60          3HD1      LEU  60   5.602   5.051  -3.211
  449   1HD2  LEU  60          1HD2      LEU  60   4.345   1.875  -4.466
  450   2HD2  LEU  60          2HD2      LEU  60   5.313   2.409  -5.852
  451   3HD2  LEU  60          3HD2      LEU  60   5.904   1.101  -4.813
  452    H    LEU  61           H        LEU  61  10.244   3.546  -2.882
  453    HA   LEU  61           HA       LEU  61   9.584   3.941  -0.156
  454   1HB   LEU  61          HB2       LEU  61  11.247   2.266  -1.122
  455   2HB   LEU  61          HB3       LEU  61  12.306   3.595  -1.524
  456    HG   LEU  61           HG       LEU  61  12.545   4.101   0.943
  457   1HD1  LEU  61          1HD1      LEU  61  11.855   2.268   2.530
  458   2HD1  LEU  61          2HD1      LEU  61  10.513   3.213   1.882
  459   3HD1  LEU  61          3HD1      LEU  61  10.843   1.583   1.230
  460   1HD2  LEU  61          1HD2      LEU  61  13.207   1.298  -0.065
  461   2HD2  LEU  61          2HD2      LEU  61  14.214   2.758  -0.140
  462   3HD2  LEU  61          3HD2      LEU  61  13.888   2.002   1.424
  463    H    ARG  62           H        ARG  62  11.827   5.969  -2.262
  464    HA   ARG  62           HA       ARG  62  12.087   7.871  -0.103
  465   1HB   ARG  62          HB2       ARG  62  13.226   9.296  -1.495
  466   2HB   ARG  62          HB3       ARG  62  13.718   7.677  -1.955
  467   1HG   ARG  62          HG2       ARG  62  12.220   7.814  -3.942
  468   2HG   ARG  62          HG3       ARG  62  11.726   9.445  -3.459
  469   1HD   ARG  62          HD2       ARG  62  14.078  10.216  -3.624
  470   2HD   ARG  62          HD3       ARG  62  14.571   8.602  -4.141
  471    HE   ARG  62           HE       ARG  62  12.962  10.592  -5.654
  472   1HH1  ARG  62          1HH2      ARG  62  14.192   7.264  -5.678
  473   2HH1  ARG  62          2HH2      ARG  62  13.836   7.082  -7.360
  474   1HH2  ARG  62          2HH1      ARG  62  12.329  10.152  -7.777
  475   2HH2  ARG  62          1HH1      ARG  62  12.501   8.529  -8.319
  476    H    THR  63           H        THR  63   9.834   7.513  -2.763
  477    HA   THR  63           HA       THR  63   8.384   9.875  -2.644
  478    HB   THR  63           HB       THR  63   7.497   7.042  -3.301
  479    HG1  THR  63           HG1      THR  63   8.858   7.824  -4.748
  480   1HG2  THR  63          1HG2      THR  63   5.886   9.599  -3.577
  481   2HG2  THR  63          2HG2      THR  63   5.610   8.182  -4.603
  482   3HG2  THR  63          3HG2      THR  63   5.421   8.040  -2.850
  483    H    LEU  64           H        LEU  64   7.625   6.901  -0.670
  484    HA   LEU  64           HA       LEU  64   5.904   8.738   0.888
  485   1HB   LEU  64          HB2       LEU  64   5.499   6.052   0.189
  486   2HB   LEU  64          HB3       LEU  64   5.988   5.992   1.881
  487    HG   LEU  64           HG       LEU  64   4.324   8.084   2.125
  488   1HD1  LEU  64          1HD1      LEU  64   2.415   8.020   0.628
  489   2HD1  LEU  64          2HD1      LEU  64   3.883   8.258  -0.325
  490   3HD1  LEU  64          3HD1      LEU  64   3.091   6.664  -0.270
  491   1HD2  LEU  64          1HD2      LEU  64   2.888   5.478   1.843
  492   2HD2  LEU  64          2HD2      LEU  64   4.040   5.783   3.170
  493   3HD2  LEU  64          3HD2      LEU  64   2.630   6.826   2.969
  494    H    LYS  65           H        LYS  65   9.141   7.598   1.224
  495    HA   LYS  65           HA       LYS  65   9.337   8.000   4.020
  496   1HB   LYS  65          HB2       LYS  65  11.261   8.236   1.741
  497   2HB   LYS  65          HB3       LYS  65  11.757   8.968   3.240
  498   1HG   LYS  65          HG2       LYS  65  10.631   6.159   3.372
  499   2HG   LYS  65          HG3       LYS  65  12.217   6.422   2.687
  500   1HD   LYS  65          HD2       LYS  65  12.445   5.881   5.009
  501   2HD   LYS  65          HD3       LYS  65  12.983   7.537   4.788
  502   1HE   LYS  65          HE2       LYS  65  10.168   6.875   5.739
  503   2HE   LYS  65          HE3       LYS  65  11.538   6.881   6.839
  504   1HZ   LYS  65          HZ1       LYS  65  11.927   9.223   6.176
  505   2HZ   LYS  65          HZ2       LYS  65  10.504   9.218   5.359
  506   3HZ   LYS  65          HZ3       LYS  65  10.506   8.984   6.950
  507    H    SER  66           H        SER  66   9.232  10.345   1.320
  508    HA   SER  66           HA       SER  66   9.110  12.686   3.101
  509   1HB   SER  66          HB2       SER  66   8.120  13.714   0.956
  510   2HB   SER  66          HB3       SER  66   9.818  13.198   0.900
  511    HG   SER  66           HG       SER  66   7.754  11.462   0.058
  512    HA   PRO  67           HA       PRO  67   5.234  10.755   4.161
  513   1HB   PRO  67          HB2       PRO  67   4.524  13.321   5.627
  514   2HB   PRO  67          HB3       PRO  67   4.490  11.640   6.236
  515   1HG   PRO  67          HG2       PRO  67   6.493  13.320   6.934
  516   2HG   PRO  67          HG3       PRO  67   6.873  11.627   6.496
  517   1HD   PRO  67          HD2       PRO  67   7.041  14.077   4.725
  518   2HD   PRO  67          HD3       PRO  67   8.269  12.794   4.983
  519    H    SER  68           H        SER  68   3.008  10.769   4.170
  520    HA   SER  68           HA       SER  68   2.166  11.251   1.568
  521   1HB   SER  68          HB2       SER  68   0.157  10.255   2.104
  522   2HB   SER  68          HB3       SER  68   1.331   9.507   3.212
  523    HG   SER  68           HG       SER  68   0.133  10.228   4.795
  524    H    SER  69           H        SER  69   1.855  13.471   4.228
  525    HA   SER  69           HA       SER  69  -0.404  14.926   3.446
  526   1HB   SER  69          HB2       SER  69   0.547  15.343   5.583
  527   2HB   SER  69          HB3       SER  69   2.091  15.842   4.907
  528    HG   SER  69           HG       SER  69  -0.398  17.198   4.612
  529    HA   PRO  70           HA       PRO  70   1.774  17.684   0.252
  530   1HB   PRO  70          HB2       PRO  70   4.458  17.464  -0.288
  531   2HB   PRO  70          HB3       PRO  70   3.798  18.547   0.975
  532   1HG   PRO  70          HG2       PRO  70   4.919  15.751   1.313
  533   2HG   PRO  70          HG3       PRO  70   5.327  17.222   2.249
  534   1HD   PRO  70          HD2       PRO  70   3.536  15.434   3.185
  535   2HD   PRO  70          HD3       PRO  70   3.253  17.183   3.395
  536    H    GLN  71           H        GLN  71   2.961  14.393   0.666
  537    HA   GLN  71           HA       GLN  71   3.202  13.828  -2.179
  538   1HB   GLN  71          HB2       GLN  71   3.644  12.205   0.360
  539   2HB   GLN  71          HB3       GLN  71   3.764  11.497  -1.235
  540   1HG   GLN  71          HG2       GLN  71   5.303  14.000  -0.379
  541   2HG   GLN  71          HG3       GLN  71   5.901  12.358  -0.219
  542   1HE2  GLN  71          2HE2      GLN  71   6.740  11.295  -2.001
  543   2HE2  GLN  71          1HE2      GLN  71   6.950  12.133  -3.561
  544    H    GLN  72           H        GLN  72   0.499  14.399  -0.834
  545    HA   GLN  72           HA       GLN  72  -1.340  12.320  -1.355
  546   1HB   GLN  72          HB2       GLN  72  -1.704  14.442  -0.074
  547   2HB   GLN  72          HB3       GLN  72  -1.597  15.361  -1.568
  548   1HG   GLN  72          HG2       GLN  72  -3.661  14.219  -2.402
  549   2HG   GLN  72          HG3       GLN  72  -3.749  13.321  -0.874
  550   1HE2  GLN  72          2HE2      GLN  72  -5.714  14.259   0.045
  551   2HE2  GLN  72          1HE2      GLN  72  -5.770  15.997   0.315
  552    H    GLN  73           H        GLN  73   0.454  14.284  -3.570
  553    HA   GLN  73           HA       GLN  73  -1.324  14.203  -5.811
  554   1HB   GLN  73          HB2       GLN  73   1.338  15.209  -5.207
  555   2HB   GLN  73          HB3       GLN  73   1.407  14.362  -6.736
  556   1HG   GLN  73          HG2       GLN  73  -0.558  16.577  -6.071
  557   2HG   GLN  73          HG3       GLN  73   0.917  16.768  -7.026
  558   1HE2  GLN  73          2HE2      GLN  73  -2.106  17.100  -7.745
  559   2HE2  GLN  73          1HE2      GLN  73  -2.182  16.091  -9.195
  560    H    GLN  74           H        GLN  74  -0.479  13.233  -7.929
  561    HA   GLN  74           HA       GLN  74  -1.093  10.476  -7.739
  562   1HB   GLN  74          HB2       GLN  74  -1.689  10.753  -9.826
  563   2HB   GLN  74          HB3       GLN  74  -1.335  12.446  -9.628
  564   1HG   GLN  74          HG2       GLN  74   0.213  10.338 -11.099
  565   2HG   GLN  74          HG3       GLN  74  -0.402  11.870 -11.675
  566   1HE2  GLN  74          2HE2      GLN  74   0.825  13.765  -9.796
  567   2HE2  GLN  74          1HE2      GLN  74   2.549  13.549 -10.086
  568    H    GLN  75           H        GLN  75   1.985  11.770  -7.142
  569    HA   GLN  75           HA       GLN  75   3.555  10.018  -8.798
  570   1HB   GLN  75          HB2       GLN  75   5.429  10.995  -7.927
  571   2HB   GLN  75          HB3       GLN  75   4.245  12.272  -7.857
  572   1HG   GLN  75          HG2       GLN  75   5.368  10.610  -5.589
  573   2HG   GLN  75          HG3       GLN  75   5.563  12.339  -5.838
  574   1HE2  GLN  75          2HE2      GLN  75   4.262  10.496  -3.617
  575   2HE2  GLN  75          1HE2      GLN  75   2.702  11.264  -3.376
  576    H    VAL  76           H        VAL  76   2.027   9.381  -5.718
  577    HA   VAL  76           HA       VAL  76   3.671   6.996  -5.194
  578    HB   VAL  76           HB       VAL  76   0.766   7.202  -4.304
  579   1HG1  VAL  76          1HG1      VAL  76   2.114   5.168  -3.893
  580   2HG1  VAL  76          2HG1      VAL  76   3.289   6.182  -2.993
  581   3HG1  VAL  76          3HG1      VAL  76   1.637   5.958  -2.388
  582   1HG2  VAL  76          1HG2      VAL  76   1.541   9.350  -3.607
  583   2HG2  VAL  76          2HG2      VAL  76   1.491   8.250  -2.207
  584   3HG2  VAL  76          3HG2      VAL  76   3.060   8.626  -2.948
  585    H    LEU  77           H        LEU  77   0.497   7.694  -6.591
  586    HA   LEU  77           HA       LEU  77  -0.265   5.085  -7.227
  587   1HB   LEU  77          HB2       LEU  77  -1.585   7.282  -7.037
  588   2HB   LEU  77          HB3       LEU  77  -1.047   7.694  -8.641
  589    HG   LEU  77           HG       LEU  77  -3.335   6.941  -8.577
  590   1HD1  LEU  77          1HD1      LEU  77  -3.386   5.451 -10.419
  591   2HD1  LEU  77          2HD1      LEU  77  -1.974   6.498 -10.633
  592   3HD1  LEU  77          3HD1      LEU  77  -1.769   4.816 -10.068
  593   1HD2  LEU  77          1HD2      LEU  77  -3.138   5.398  -6.673
  594   2HD2  LEU  77          2HD2      LEU  77  -4.001   4.707  -8.060
  595   3HD2  LEU  77          3HD2      LEU  77  -2.320   4.209  -7.735
  596    H    ASN  78           H        ASN  78   1.397   7.551  -9.119
  597    HA   ASN  78           HA       ASN  78   1.608   6.139 -11.556
  598   1HB   ASN  78          HB2       ASN  78   1.762   8.652 -11.010
  599   2HB   ASN  78          HB3       ASN  78   3.428   8.361 -10.507
  600   1HD2  ASN  78          2HD2      ASN  78   3.148  10.247 -12.285
  601   2HD2  ASN  78          1HD2      ASN  78   3.538   9.670 -13.913
  602    H    ILE  79           H        ILE  79   3.680   5.945  -8.628
  603    HA   ILE  79           HA       ILE  79   5.629   4.247 -10.105
  604    HB   ILE  79           HB       ILE  79   5.519   4.833  -7.167
  605   1HG1  ILE  79          2HG1      ILE  79   7.547   5.958  -9.147
  606   2HG1  ILE  79          3HG1      ILE  79   6.053   6.824  -8.876
  607   1HG2  ILE  79          1HG2      ILE  79   7.924   3.972  -7.378
  608   2HG2  ILE  79          2HG2      ILE  79   6.718   2.722  -7.715
  609   3HG2  ILE  79          3HG2      ILE  79   7.574   3.527  -9.045
  610   1HD1  ILE  79          1HD1      ILE  79   7.784   7.709  -7.421
  611   2HD1  ILE  79          2HD1      ILE  79   6.499   6.948  -6.453
  612   3HD1  ILE  79          3HD1      ILE  79   8.048   6.122  -6.692
  613    H    LEU  80           H        LEU  80   3.056   3.946  -7.628
  614    HA   LEU  80           HA       LEU  80   3.042   1.369  -6.886
  615   1HB   LEU  80          HB2       LEU  80   0.908   3.387  -7.459
  616   2HB   LEU  80          HB3       LEU  80   0.344   1.759  -7.211
  617    HG   LEU  80           HG       LEU  80   2.120   3.131  -5.146
  618   1HD1  LEU  80          1HD1      LEU  80   0.178   4.585  -5.281
  619   2HD1  LEU  80          2HD1      LEU  80  -0.921   3.191  -5.415
  620   3HD1  LEU  80          3HD1      LEU  80  -0.063   3.516  -3.899
  621   1HD2  LEU  80          1HD2      LEU  80   0.021   0.922  -5.096
  622   2HD2  LEU  80          2HD2      LEU  80   1.791   0.655  -4.988
  623   3HD2  LEU  80          3HD2      LEU  80   0.900   1.519  -3.690
  624    H    LYS  81           H        LYS  81   1.303   2.400  -9.898
  625    HA   LYS  81           HA       LYS  81   0.600  -0.325 -10.477
  626   1HB   LYS  81          HB2       LYS  81  -0.123   0.463 -12.723
  627   2HB   LYS  81          HB3       LYS  81  -0.904   1.155 -11.316
  628   1HG   LYS  81          HG2       LYS  81  -0.549   2.715 -13.178
  629   2HG   LYS  81          HG3       LYS  81   0.088   3.265 -11.627
  630   1HD   LYS  81          HD2       LYS  81   2.346   2.794 -12.318
  631   2HD   LYS  81          HD3       LYS  81   1.795   2.072 -13.861
  632   1HE   LYS  81          HE2       LYS  81   0.897   4.187 -14.630
  633   2HE   LYS  81          HE3       LYS  81   1.065   4.903 -13.038
  634   1HZ   LYS  81          HZ1       LYS  81   3.473   4.651 -13.270
  635   2HZ   LYS  81          HZ2       LYS  81   3.304   4.243 -14.862
  636   3HZ   LYS  81          HZ3       LYS  81   2.850   5.723 -14.246
  637    H    SER  82           H        SER  82   3.669   0.910 -10.751
  638    HA   SER  82           HA       SER  82   4.472  -0.945 -12.941
  639   1HB   SER  82          HB2       SER  82   6.673   0.007 -12.738
  640   2HB   SER  82          HB3       SER  82   5.531   1.368 -12.713
  641    HG   SER  82           HG       SER  82   5.767   1.333 -10.402
  642    H    ASN  83           H        ASN  83   3.817  -1.248  -9.661
  643    HA   ASN  83           HA       ASN  83   5.764  -3.518  -9.375
  644   1HB   ASN  83          HB2       ASN  83   4.821  -1.778  -7.096
  645   2HB   ASN  83          HB3       ASN  83   6.252  -2.817  -7.181
  646   1HD2  ASN  83          2HD2      ASN  83   7.776  -2.010  -9.154
  647   2HD2  ASN  83          1HD2      ASN  83   7.773  -0.239  -9.357
  648    HA   PRO  84           HA       PRO  84   1.153  -4.445  -9.365
  649   1HB   PRO  84          HB2       PRO  84   1.362  -7.075 -10.381
  650   2HB   PRO  84          HB3       PRO  84   1.038  -5.567 -11.278
  651   1HG   PRO  84          HG2       PRO  84   3.693  -6.946 -10.860
  652   2HG   PRO  84          HG3       PRO  84   3.058  -6.175 -12.349
  653   1HD   PRO  84          HD2       PRO  84   4.835  -4.913 -10.825
  654   2HD   PRO  84          HD3       PRO  84   3.468  -4.000 -11.519
  655    H    GLN  85           H        GLN  85   3.504  -6.923  -8.123
  656    HA   GLN  85           HA       GLN  85   1.538  -7.965  -6.270
  657   1HB   GLN  85          HB2       GLN  85   3.611  -9.177  -7.035
  658   2HB   GLN  85          HB3       GLN  85   4.568  -8.114  -5.992
  659   1HG   GLN  85          HG2       GLN  85   3.373  -8.909  -4.005
  660   2HG   GLN  85          HG3       GLN  85   2.255  -9.838  -5.001
  661   1HE2  GLN  85          2HE2      GLN  85   2.718 -11.959  -4.227
  662   2HE2  GLN  85          1HE2      GLN  85   4.350 -12.621  -4.456
  663    H    LEU  86           H        LEU  86   3.888  -5.309  -5.963
  664    HA   LEU  86           HA       LEU  86   3.354  -4.833  -3.119
  665   1HB   LEU  86          HB2       LEU  86   5.481  -4.176  -4.044
  666   2HB   LEU  86          HB3       LEU  86   4.732  -3.215  -5.289
  667    HG   LEU  86           HG       LEU  86   5.830  -2.007  -3.389
  668   1HD1  LEU  86          1HD1      LEU  86   4.398  -0.187  -3.371
  669   2HD1  LEU  86          2HD1      LEU  86   4.177  -0.961  -4.949
  670   3HD1  LEU  86          3HD1      LEU  86   2.949  -1.161  -3.658
  671   1HD2  LEU  86          1HD2      LEU  86   3.390  -2.794  -1.745
  672   2HD2  LEU  86          2HD2      LEU  86   5.102  -3.217  -1.436
  673   3HD2  LEU  86          3HD2      LEU  86   4.564  -1.540  -1.346
  674    H    MET  87           H        MET  87   2.080  -3.634  -6.230
  675    HA   MET  87           HA       MET  87   0.318  -1.726  -5.156
  676   1HB   MET  87          HB2       MET  87   0.986  -2.344  -7.665
  677   2HB   MET  87          HB3       MET  87  -0.479  -3.356  -7.568
  678   1HG   MET  87          HG2       MET  87  -1.597  -1.253  -6.564
  679   2HG   MET  87          HG3       MET  87  -0.195  -0.368  -7.160
  680   1HE   MET  87          HE1       MET  87  -1.799   1.231  -8.295
  681   2HE   MET  87          HE2       MET  87  -3.148   0.725  -9.335
  682   3HE   MET  87          HE3       MET  87  -3.113   0.253  -7.619
  683    H    ALA  88           H        ALA  88  -0.295  -5.220  -5.882
  684    HA   ALA  88           HA       ALA  88  -2.875  -5.349  -4.716
  685   1HB   ALA  88          HB1       ALA  88  -1.950  -7.068  -6.203
  686   2HB   ALA  88          HB2       ALA  88  -0.731  -7.511  -4.985
  687   3HB   ALA  88          HB3       ALA  88  -2.450  -7.785  -4.655
  688    H    ALA  89           H        ALA  89   0.377  -5.925  -3.183
  689    HA   ALA  89           HA       ALA  89  -0.638  -6.479  -0.597
  690   1HB   ALA  89          HB1       ALA  89   2.017  -5.201  -1.351
  691   2HB   ALA  89          HB2       ALA  89   1.635  -6.010   0.182
  692   3HB   ALA  89          HB3       ALA  89   1.676  -6.949  -1.328
  693    H    PHE  90           H        PHE  90   0.169  -3.321  -2.072
  694    HA   PHE  90           HA       PHE  90  -0.463  -1.658   0.150
  695   1HB   PHE  90          HB2       PHE  90   0.687  -0.760  -1.777
  696   2HB   PHE  90          HB3       PHE  90  -0.649  -1.152  -2.838
  697    HD1  PHE  90           HD1      PHE  90   0.376   1.115   0.015
  698    HD2  PHE  90           HD2      PHE  90  -2.468   0.399  -3.172
  699    HE1  PHE  90           HE1      PHE  90  -0.311   3.466   0.078
  700    HE2  PHE  90           HE2      PHE  90  -3.290   2.749  -2.894
  701    HZ   PHE  90           HZ       PHE  90  -2.215   4.257  -1.300
  702    H    ILE  91           H        ILE  91  -2.614  -2.556  -2.651
  703    HA   ILE  91           HA       ILE  91  -5.019  -1.618  -1.574
  704    HB   ILE  91           HB       ILE  91  -4.477  -3.989  -3.373
  705   1HG1  ILE  91          2HG1      ILE  91  -5.675  -1.240  -3.948
  706   2HG1  ILE  91          3HG1      ILE  91  -3.964  -1.607  -4.129
  707   1HG2  ILE  91          1HG2      ILE  91  -6.928  -3.933  -3.934
  708   2HG2  ILE  91          2HG2      ILE  91  -6.625  -4.461  -2.283
  709   3HG2  ILE  91          3HG2      ILE  91  -7.181  -2.798  -2.585
  710   1HD1  ILE  91          1HD1      ILE  91  -6.240  -2.824  -5.731
  711   2HD1  ILE  91          2HD1      ILE  91  -4.981  -1.721  -6.295
  712   3HD1  ILE  91          3HD1      ILE  91  -4.548  -3.373  -5.818
  713    H    LYS  92           H        LYS  92  -3.584  -4.844  -0.952
  714    HA   LYS  92           HA       LYS  92  -5.571  -5.665   0.891
  715   1HB   LYS  92          HB2       LYS  92  -3.993  -7.191  -0.229
  716   2HB   LYS  92          HB3       LYS  92  -2.642  -6.505   0.659
  717   1HG   LYS  92          HG2       LYS  92  -3.418  -8.682   1.552
  718   2HG   LYS  92          HG3       LYS  92  -3.404  -7.391   2.741
  719   1HD   LYS  92          HD2       LYS  92  -5.391  -8.938   2.864
  720   2HD   LYS  92          HD3       LYS  92  -5.785  -7.228   2.775
  721   1HE   LYS  92          HE2       LYS  92  -6.222  -7.453   0.323
  722   2HE   LYS  92          HE3       LYS  92  -5.847  -9.163   0.424
  723   1HZ   LYS  92          HZ1       LYS  92  -7.754  -9.532   1.647
  724   2HZ   LYS  92          HZ2       LYS  92  -7.923  -7.955   2.133
  725   3HZ   LYS  92          HZ3       LYS  92  -8.235  -8.436   0.577
  726    H    GLN  93           H        GLN  93  -2.292  -4.331   1.808
  727    HA   GLN  93           HA       GLN  93  -3.179  -4.383   4.528
  728   1HB   GLN  93          HB2       GLN  93  -0.791  -4.543   3.676
  729   2HB   GLN  93          HB3       GLN  93  -0.755  -2.783   3.690
  730   1HG   GLN  93          HG2       GLN  93  -1.748  -4.236   6.180
  731   2HG   GLN  93          HG3       GLN  93  -0.046  -4.350   5.788
  732   1HE2  GLN  93          2HE2      GLN  93  -2.557  -1.675   6.239
  733   2HE2  GLN  93          1HE2      GLN  93  -1.288  -0.621   6.876
  734    H    ARG  94           H        ARG  94  -3.298  -1.795   2.072
  735    HA   ARG  94           HA       ARG  94  -4.095   0.334   3.809
  736   1HB   ARG  94          HB2       ARG  94  -4.804  -0.164   0.902
  737   2HB   ARG  94          HB3       ARG  94  -5.210   1.284   1.821
  738   1HG   ARG  94          HG2       ARG  94  -2.386   0.384   1.121
  739   2HG   ARG  94          HG3       ARG  94  -3.305   1.714   0.425
  740   1HD   ARG  94          HD2       ARG  94  -2.303   1.445   3.280
  741   2HD   ARG  94          HD3       ARG  94  -1.614   2.478   2.023
  742    HE   ARG  94           HE       ARG  94  -4.064   3.504   2.074
  743   1HH1  ARG  94          2HH1      ARG  94  -1.914   2.778   4.797
  744   2HH1  ARG  94          1HH1      ARG  94  -2.432   4.255   5.611
  745   1HH2  ARG  94          1HH2      ARG  94  -4.724   5.223   3.343
  746   2HH2  ARG  94          2HH2      ARG  94  -3.918   5.479   4.907
  747    H    THR  95           H        THR  95  -6.173  -1.947   1.869
  748    HA   THR  95           HA       THR  95  -8.644  -1.177   3.090
  749    HB   THR  95           HB       THR  95  -9.464  -3.471   2.519
  750    HG1  THR  95           HG1      THR  95  -7.007  -3.733   1.163
  751   1HG2  THR  95          1HG2      THR  95  -8.254  -1.952   0.208
  752   2HG2  THR  95          2HG2      THR  95  -9.562  -3.157   0.156
  753   3HG2  THR  95          3HG2      THR  95  -9.818  -1.640   1.025
  754    H    ALA  96           H        ALA  96  -6.375  -3.779   4.146
  755    HA   ALA  96           HA       ALA  96  -7.797  -4.526   6.432
  756   1HB   ALA  96          HB1       ALA  96  -5.884  -5.738   5.490
  757   2HB   ALA  96          HB2       ALA  96  -4.783  -4.452   6.062
  758   3HB   ALA  96          HB3       ALA  96  -5.682  -5.447   7.226
  759    H    LYS  97           H        LYS  97  -5.299  -1.942   6.212
  760    HA   LYS  97           HA       LYS  97  -5.338  -1.023   8.890
  761   1HB   LYS  97          HB2       LYS  97  -3.707   0.221   8.042
  762   2HB   LYS  97          HB3       LYS  97  -4.201  -0.127   6.405
  763   1HG   LYS  97          HG2       LYS  97  -4.034   2.154   6.509
  764   2HG   LYS  97          HG3       LYS  97  -5.749   1.820   6.421
  765   1HD   LYS  97          HD2       LYS  97  -5.790   2.163   8.992
  766   2HD   LYS  97          HD3       LYS  97  -4.117   2.696   8.840
  767   1HE   LYS  97          HE2       LYS  97  -4.892   4.385   7.102
  768   2HE   LYS  97          HE3       LYS  97  -6.552   3.965   7.521
  769   1HZ   LYS  97          HZ1       LYS  97  -5.772   5.902   8.759
  770   2HZ   LYS  97          HZ2       LYS  97  -6.014   4.689   9.829
  771   3HZ   LYS  97          HZ3       LYS  97  -4.499   5.057   9.352
  772    H    TYR  98           H        TYR  98  -7.349   0.065   6.148
  773    HA   TYR  98           HA       TYR  98  -8.969   1.790   7.714
  774   1HB   TYR  98          HB2       TYR  98  -9.392   0.367   5.093
  775   2HB   TYR  98          HB3       TYR  98 -10.690   1.287   5.861
  776    HD1  TYR  98           HD1      TYR  98  -9.866   3.747   6.747
  777    HD2  TYR  98           HD2      TYR  98  -8.282   1.451   3.492
  778    HE1  TYR  98           HE1      TYR  98  -9.123   5.861   5.632
  779    HE2  TYR  98           HE2      TYR  98  -7.693   3.519   2.274
  780    HH   TYR  98           HH       TYR  98  -7.057   5.871   2.849
  781    H    VAL  99           H        VAL  99  -9.822  -1.663   6.691
  782    HA   VAL  99           HA       VAL  99 -12.254  -1.433   8.126
  783    HB   VAL  99           HB       VAL  99 -12.542  -3.832   8.024
  784   1HG1  VAL  99          1HG1      VAL  99 -13.106  -2.264   6.184
  785   2HG1  VAL  99          2HG1      VAL  99 -11.545  -2.642   5.406
  786   3HG1  VAL  99          3HG1      VAL  99 -12.781  -3.902   5.647
  787   1HG2  VAL  99          1HG2      VAL  99 -10.975  -5.298   6.925
  788   2HG2  VAL  99          2HG2      VAL  99  -9.817  -3.962   6.692
  789   3HG2  VAL  99          3HG2      VAL  99 -10.182  -4.576   8.323
  790    H    ALA 100           H        ALA 100  -9.114  -2.078   9.499
  791    HA   ALA 100           HA       ALA 100 -10.220  -2.872  12.096
  792   1HB   ALA 100          HB1       ALA 100  -7.437  -1.931  11.236
  793   2HB   ALA 100          HB2       ALA 100  -7.862  -2.644  12.821
  794   3HB   ALA 100          HB3       ALA 100  -7.980  -3.612  11.351
  795    H    ASN 101           H        ASN 101  -8.837   0.147  10.700
  796    HA   ASN 101           HA       ASN 101  -9.162   1.767  13.066
  797   1HB   ASN 101          HB2       ASN 101  -7.511   1.978  11.144
  798   2HB   ASN 101          HB3       ASN 101  -8.838   2.509  10.115
  799   1HD2  ASN 101          2HD2      ASN 101  -9.885   4.255  12.553
  800   2HD2  ASN 101          1HD2      ASN 101  -8.747   5.598  12.460
  801    H    GLN 102           H        GLN 102 -11.134   1.099  10.319
  802    HA   GLN 102           HA       GLN 102 -13.526   2.633  11.122
  803   1HB   GLN 102          HB2       GLN 102 -11.936   2.945   8.537
  804   2HB   GLN 102          HB3       GLN 102 -13.614   3.456   8.724
  805   1HG   GLN 102          HG2       GLN 102 -12.957   5.086  10.435
  806   2HG   GLN 102          HG3       GLN 102 -11.267   4.542  10.327
  807   1HE2  GLN 102          2HE2      GLN 102 -13.908   5.763   8.087
  808   2HE2  GLN 102          1HE2      GLN 102 -12.768   6.701   7.155
  809    HA   PRO 103           HA       PRO 103 -14.364  -1.674   9.448
  810   1HB   PRO 103          HB2       PRO 103 -16.549  -1.344  11.501
  811   2HB   PRO 103          HB3       PRO 103 -15.587  -2.806  11.093
  812   1HG   PRO 103          HG2       PRO 103 -15.030  -1.359  13.291
  813   2HG   PRO 103          HG3       PRO 103 -13.681  -1.926  12.236
  814   1HD   PRO 103          HD2       PRO 103 -14.997   0.798  12.310
  815   2HD   PRO 103          HD3       PRO 103 -13.259   0.380  12.292
  816    H    GLY 104           H        GLY 104 -14.962   0.212   7.727
  817   1HA   GLY 104          HA2       GLY 104 -16.236   0.531   5.862
  818   2HA   GLY 104          HA3       GLY 104 -17.299  -0.754   6.404
  819    H    MET 105           H        MET 105 -17.862   0.904   8.927
  820    HA   MET 105           HA       MET 105 -20.296   1.914   8.080
  821   1HB   MET 105          HB2       MET 105 -20.707   2.520  10.329
  822   2HB   MET 105          HB3       MET 105 -19.678   1.095  10.379
  823   1HG   MET 105          HG2       MET 105 -18.806   3.975  10.849
  824   2HG   MET 105          HG3       MET 105 -19.073   2.754  12.079
  825   1HE   MET 105          HE1       MET 105 -16.421   4.745  11.221
  826   2HE   MET 105          HE2       MET 105 -16.744   3.982  12.797
  827   3HE   MET 105          HE3       MET 105 -15.189   3.710  11.965
  828    H    GLN 106           H        GLN 106 -17.300   3.786   8.548
  829    HA   GLN 106           HA       GLN 106 -18.295   6.103   7.130
  830   1HB   GLN 106          HB2       GLN 106 -19.318   6.550   9.319
  831   2HB   GLN 106          HB3       GLN 106 -17.803   6.198  10.144
  832   1HG   GLN 106          HG2       GLN 106 -18.230   8.579  10.109
  833   2HG   GLN 106          HG3       GLN 106 -16.761   8.222   9.236
  834   1HE2  GLN 106          2HE2      GLN 106 -16.993   8.116   6.767
  835   2HE2  GLN 106          1HE2      GLN 106 -18.169   9.239   6.044
  Start of MODEL    5
    1   1H    GLU   1          H1        GLU   1  15.037  -8.011  -5.800
    2   2H    GLU   1          H2        GLU   1  16.409  -7.977  -4.904
    3   3H    GLU   1          H3        GLU   1  15.877  -6.623  -5.678
    4    HA   GLU   1           HA       GLU   1  16.110  -7.786  -7.801
    5   1HB   GLU   1          HB2       GLU   1  17.711  -6.060  -6.951
    6   2HB   GLU   1          HB3       GLU   1  18.715  -7.346  -6.299
    7   1HG   GLU   1          HG2       GLU   1  19.533  -6.537  -8.500
    8   2HG   GLU   1          HG3       GLU   1  19.106  -8.250  -8.536
    9    H    GLY   2           H        GLY   2  17.695  -9.588  -5.069
   10   1HA   GLY   2          HA2       GLY   2  18.589 -11.746  -6.797
   11   2HA   GLY   2          HA3       GLY   2  18.712 -11.623  -5.045
   12    H    GLN   3           H        GLN   3  15.617 -11.190  -6.434
   13    HA   GLN   3           HA       GLN   3  13.573 -12.144  -6.261
   14   1HB   GLN   3          HB2       GLN   3  15.037 -14.795  -6.480
   15   2HB   GLN   3          HB3       GLN   3  13.299 -14.542  -6.592
   16   1HG   GLN   3          HG2       GLN   3  14.004 -14.706  -8.807
   17   2HG   GLN   3          HG3       GLN   3  13.672 -13.000  -8.546
   18   1HE2  GLN   3          1HE2      GLN   3  16.706 -14.917  -7.757
   19   2HE2  GLN   3          2HE2      GLN   3  17.654 -13.953  -8.907
   20    H    SER   4           H        SER   4  15.789 -13.851  -4.234
   21    HA   SER   4           HA       SER   4  14.275 -14.819  -2.080
   22   1HB   SER   4          HB2       SER   4  17.103 -13.657  -1.935
   23   2HB   SER   4          HB3       SER   4  16.424 -14.998  -0.998
   24    HG   SER   4           HG       SER   4  17.229 -14.913  -3.722
   25    H    ASP   5           H        ASP   5  15.689 -11.622  -2.639
   26    HA   ASP   5           HA       ASP   5  14.989 -10.447  -0.069
   27   1HB   ASP   5          HB2       ASP   5  15.904  -8.418  -1.204
   28   2HB   ASP   5          HB3       ASP   5  17.045  -9.760  -1.112
   29    H    GLU   6           H        GLU   6  13.952 -10.304  -3.442
   30    HA   GLU   6           HA       GLU   6  12.261  -8.260  -3.591
   31   1HB   GLU   6          HB2       GLU   6  12.959 -10.158  -5.324
   32   2HB   GLU   6          HB3       GLU   6  11.405 -10.837  -4.904
   33   1HG   GLU   6          HG2       GLU   6  11.114  -9.500  -6.879
   34   2HG   GLU   6          HG3       GLU   6  10.312  -8.669  -5.564
   35    H    ARG   7           H        ARG   7  11.313 -11.394  -2.297
   36    HA   ARG   7           HA       ARG   7   8.535 -10.657  -1.955
   37   1HB   ARG   7          HB2       ARG   7   9.943 -13.044  -1.858
   38   2HB   ARG   7          HB3       ARG   7   9.608 -12.788  -0.153
   39   1HG   ARG   7          HG2       ARG   7   7.575 -12.810  -2.450
   40   2HG   ARG   7          HG3       ARG   7   7.883 -14.143  -1.363
   41   1HD   ARG   7          HD2       ARG   7   6.797 -11.450  -0.436
   42   2HD   ARG   7          HD3       ARG   7   5.816 -12.865  -0.812
   43    HE   ARG   7           HE       ARG   7   7.805 -13.613   1.093
   44   1HH1  ARG   7          1HH1      ARG   7   4.892 -11.685   0.827
   45   2HH1  ARG   7          2HH1      ARG   7   5.050 -11.092   2.440
   46   1HH2  ARG   7          2HH2      ARG   7   7.781 -12.954   3.344
   47   2HH2  ARG   7          1HH2      ARG   7   6.539 -11.753   3.678
   48    H    ALA   8           H        ALA   8  11.347 -10.360   0.179
   49    HA   ALA   8           HA       ALA   8   9.826  -9.299   2.445
   50   1HB   ALA   8          HB1       ALA   8  11.909 -10.545   2.837
   51   2HB   ALA   8          HB2       ALA   8  12.815  -9.342   1.880
   52   3HB   ALA   8          HB3       ALA   8  12.024  -8.864   3.397
   53    H    LEU   9           H        LEU   9  11.623  -8.007  -0.375
   54    HA   LEU   9           HA       LEU   9  11.382  -5.244   0.391
   55   1HB   LEU   9          HB2       LEU   9  11.408  -6.284  -2.459
   56   2HB   LEU   9          HB3       LEU   9  11.770  -4.653  -1.883
   57    HG   LEU   9           HG       LEU   9  13.479  -7.129  -1.436
   58   1HD1  LEU   9          1HD1      LEU   9  13.851  -4.663  -3.144
   59   2HD1  LEU   9          2HD1      LEU   9  15.074  -5.949  -2.878
   60   3HD1  LEU   9          3HD1      LEU   9  13.578  -6.330  -3.715
   61   1HD2  LEU   9          1HD2      LEU   9  13.740  -5.742   0.524
   62   2HD2  LEU   9          2HD2      LEU   9  15.138  -5.485  -0.531
   63   3HD2  LEU   9          3HD2      LEU   9  13.849  -4.263  -0.463
   64    H    LEU  10           H        LEU  10   9.232  -7.354  -1.576
   65    HA   LEU  10           HA       LEU  10   7.148  -5.496  -2.096
   66   1HB   LEU  10          HB2       LEU  10   7.367  -7.685  -3.244
   67   2HB   LEU  10          HB3       LEU  10   7.235  -8.534  -1.710
   68    HG   LEU  10           HG       LEU  10   4.861  -7.726  -1.490
   69   1HD1  LEU  10          1HD1      LEU  10   3.729  -6.913  -3.487
   70   2HD1  LEU  10          2HD1      LEU  10   4.979  -5.760  -3.014
   71   3HD1  LEU  10          3HD1      LEU  10   5.283  -6.850  -4.374
   72   1HD2  LEU  10          1HD2      LEU  10   3.980  -9.319  -3.111
   73   2HD2  LEU  10          2HD2      LEU  10   5.536  -9.331  -3.981
   74   3HD2  LEU  10          3HD2      LEU  10   5.407  -9.975  -2.326
   75    H    ASP  11           H        ASP  11   7.527  -7.785   0.629
   76    HA   ASP  11           HA       ASP  11   5.311  -6.764   2.110
   77   1HB   ASP  11          HB2       ASP  11   7.713  -8.320   2.978
   78   2HB   ASP  11          HB3       ASP  11   6.628  -7.628   4.169
   79    H    GLN  12           H        GLN  12   8.756  -5.701   2.512
   80    HA   GLN  12           HA       GLN  12   7.873  -3.753   4.409
   81   1HB   GLN  12          HB2       GLN  12  10.055  -3.044   4.621
   82   2HB   GLN  12          HB3       GLN  12  10.225  -4.708   4.144
   83   1HG   GLN  12          HG2       GLN  12  11.760  -3.899   2.733
   84   2HG   GLN  12          HG3       GLN  12  10.401  -3.562   1.678
   85   1HE2  GLN  12          2HE2      GLN  12   9.417  -1.025   3.145
   86   2HE2  GLN  12          1HE2      GLN  12  10.800   0.047   2.866
   87    H    LEU  13           H        LEU  13   7.953  -3.600   0.871
   88    HA   LEU  13           HA       LEU  13   7.507  -0.740   0.823
   89   1HB   LEU  13          HB2       LEU  13   7.501  -2.948  -1.208
   90   2HB   LEU  13          HB3       LEU  13   6.480  -1.572  -1.526
   91    HG   LEU  13           HG       LEU  13   8.675  -1.365  -2.617
   92   1HD1  LEU  13          1HD1      LEU  13   8.340   0.778  -0.474
   93   2HD1  LEU  13          2HD1      LEU  13   9.090   0.943  -2.065
   94   3HD1  LEU  13          3HD1      LEU  13   7.337   0.659  -1.935
   95   1HD2  LEU  13          1HD2      LEU  13  10.146  -2.423  -0.957
   96   2HD2  LEU  13          2HD2      LEU  13  10.683  -0.790  -1.361
   97   3HD2  LEU  13          3HD2      LEU  13   9.856  -1.081   0.184
   98    H    HIS  14           H        HIS  14   5.248  -3.604   0.607
   99    HA   HIS  14           HA       HIS  14   3.009  -1.748   0.384
  100   1HB   HIS  14          HB2       HIS  14   1.516  -3.510   0.451
  101   2HB   HIS  14          HB3       HIS  14   2.894  -4.055  -0.493
  102    HD2  HIS  14           HD2      HIS  14   3.592  -6.471   0.048
  103    HE1  HIS  14           HE1      HIS  14   2.115  -6.781   4.040
  104    HE2  HIS  14           HE2      HIS  14   3.389  -7.995   2.167
  105    H    THR  15           H        THR  15   4.671  -3.196   3.086
  106    HA   THR  15           HA       THR  15   2.971  -2.277   5.203
  107    HB   THR  15           HB       THR  15   6.005  -2.423   5.326
  108    HG1  THR  15           HG1      THR  15   5.234  -4.406   4.615
  109   1HG2  THR  15          1HG2      THR  15   4.945  -1.414   7.320
  110   2HG2  THR  15          2HG2      THR  15   3.813  -2.782   7.423
  111   3HG2  THR  15          3HG2      THR  15   5.536  -3.039   7.713
  112    H    LEU  16           H        LEU  16   5.930  -0.644   3.771
  113    HA   LEU  16           HA       LEU  16   5.619   1.828   5.100
  114   1HB   LEU  16          HB2       LEU  16   7.568   1.284   3.651
  115   2HB   LEU  16          HB3       LEU  16   6.529   1.160   2.252
  116    HG   LEU  16           HG       LEU  16   5.909   3.716   2.942
  117   1HD1  LEU  16          1HD1      LEU  16   7.365   3.802   4.885
  118   2HD1  LEU  16          2HD1      LEU  16   8.769   3.350   3.889
  119   3HD1  LEU  16          3HD1      LEU  16   7.947   4.908   3.618
  120   1HD2  LEU  16          1HD2      LEU  16   7.687   4.405   1.260
  121   2HD2  LEU  16          2HD2      LEU  16   8.124   2.667   1.195
  122   3HD2  LEU  16          3HD2      LEU  16   6.499   3.220   0.756
  123    H    LEU  17           H        LEU  17   4.213   0.780   2.007
  124    HA   LEU  17           HA       LEU  17   2.744   3.158   1.573
  125   1HB   LEU  17          HB2       LEU  17   3.599   0.948   0.160
  126   2HB   LEU  17          HB3       LEU  17   1.892   0.638   0.218
  127    HG   LEU  17           HG       LEU  17   1.539   2.764  -1.052
  128   1HD1  LEU  17          1HD1      LEU  17   3.010   4.312  -0.120
  129   2HD1  LEU  17          2HD1      LEU  17   4.454   3.285  -0.371
  130   3HD1  LEU  17          3HD1      LEU  17   3.642   4.072  -1.743
  131   1HD2  LEU  17          1HD2      LEU  17   2.846   2.306  -3.028
  132   2HD2  LEU  17          2HD2      LEU  17   4.026   1.360  -2.097
  133   3HD2  LEU  17          3HD2      LEU  17   2.346   0.761  -2.299
  134    H    SER  18           H        SER  18   1.983   0.665   3.736
  135    HA   SER  18           HA       SER  18  -0.845   1.609   3.926
  136   1HB   SER  18          HB2       SER  18  -0.017  -1.263   4.265
  137   2HB   SER  18          HB3       SER  18  -1.636  -0.597   3.973
  138    HG   SER  18           HG       SER  18   0.539  -0.977   2.299
  139    H    ASN  19           H        ASN  19   1.682   2.066   5.498
  140    HA   ASN  19           HA       ASN  19   1.933   0.800   7.876
  141   1HB   ASN  19          HB2       ASN  19   3.406   2.691   8.418
  142   2HB   ASN  19          HB3       ASN  19   3.520   2.344   6.716
  143   1HD2  ASN  19          1HD2      ASN  19   3.089   4.054   5.291
  144   2HD2  ASN  19          2HD2      ASN  19   2.399   5.602   5.813
  145    H    THR  20           H        THR  20  -0.624   2.780   7.213
  146    HA   THR  20           HA       THR  20  -2.554   2.909   8.534
  147    HB   THR  20           HB       THR  20  -2.615   3.963  10.757
  148    HG1  THR  20           HG1      THR  20   0.094   3.257  10.750
  149   1HG2  THR  20          1HG2      THR  20  -2.991   1.575  10.405
  150   2HG2  THR  20          2HG2      THR  20  -1.265   1.242  10.588
  151   3HG2  THR  20          3HG2      THR  20  -2.187   1.900  11.962
  152    H    ASP  21           H        ASP  21  -0.009   5.274   7.880
  153    HA   ASP  21           HA       ASP  21  -1.433   7.634   8.166
  154   1HB   ASP  21          HB2       ASP  21   0.931   7.503   7.587
  155   2HB   ASP  21          HB3       ASP  21   0.531   6.900   5.966
  156    H    ALA  22           H        ALA  22  -2.360   8.979   6.678
  157    HA   ALA  22           HA       ALA  22  -3.989   7.995   4.437
  158   1HB   ALA  22          HB1       ALA  22  -6.118   8.638   5.437
  159   2HB   ALA  22          HB2       ALA  22  -5.344   7.356   6.367
  160   3HB   ALA  22          HB3       ALA  22  -5.315   9.032   6.970
  161    H    THR  23           H        THR  23  -2.334  10.695   5.946
  162    HA   THR  23           HA       THR  23  -4.110  12.787   5.463
  163    HB   THR  23           HB       THR  23  -1.082  13.014   5.044
  164    HG1  THR  23           HG1      THR  23  -2.877  14.766   4.732
  165   1HG2  THR  23          1HG2      THR  23  -0.920  13.712   7.388
  166   2HG2  THR  23          2HG2      THR  23  -1.403  12.024   7.184
  167   3HG2  THR  23          3HG2      THR  23  -2.641  13.249   7.625
  168    H    GLY  24           H        GLY  24  -1.739  11.591   3.217
  169   1HA   GLY  24          HA2       GLY  24  -3.322  12.925   1.011
  170   2HA   GLY  24          HA3       GLY  24  -1.577  12.670   0.918
  171    H    LEU  25           H        LEU  25  -2.036   9.903   2.252
  172    HA   LEU  25           HA       LEU  25  -2.389   8.289  -0.057
  173   1HB   LEU  25          HB2       LEU  25  -2.581   7.775   2.919
  174   2HB   LEU  25          HB3       LEU  25  -2.932   6.514   1.727
  175    HG   LEU  25           HG       LEU  25  -0.369   8.006   1.310
  176   1HD1  LEU  25          1HD1      LEU  25  -0.497   7.676   3.819
  177   2HD1  LEU  25          2HD1      LEU  25  -0.561   5.925   3.528
  178   3HD1  LEU  25          3HD1      LEU  25   0.860   6.879   3.037
  179   1HD2  LEU  25          1HD2      LEU  25   0.427   5.788   0.723
  180   2HD2  LEU  25          2HD2      LEU  25  -1.078   5.050   1.317
  181   3HD2  LEU  25          3HD2      LEU  25  -1.108   6.109  -0.112
  182    H    GLU  26           H        GLU  26  -4.869   9.885   1.982
  183    HA   GLU  26           HA       GLU  26  -7.121   8.471   1.198
  184   1HB   GLU  26          HB2       GLU  26  -8.390  10.385   1.689
  185   2HB   GLU  26          HB3       GLU  26  -6.995  10.431   2.753
  186   1HG   GLU  26          HG2       GLU  26  -7.268  12.638   2.095
  187   2HG   GLU  26          HG3       GLU  26  -5.921  12.065   1.122
  188    H    GLU  27           H        GLU  27  -5.293  10.760  -0.880
  189    HA   GLU  27           HA       GLU  27  -7.168  10.742  -3.054
  190   1HB   GLU  27          HB2       GLU  27  -5.441  12.491  -2.936
  191   2HB   GLU  27          HB3       GLU  27  -4.187  11.279  -2.763
  192   1HG   GLU  27          HG2       GLU  27  -3.944  12.274  -4.898
  193   2HG   GLU  27          HG3       GLU  27  -4.387  10.603  -5.106
  194    H    ILE  28           H        ILE  28  -4.236   8.907  -2.399
  195    HA   ILE  28           HA       ILE  28  -4.316   7.399  -4.833
  196    HB   ILE  28           HB       ILE  28  -2.993   6.488  -2.251
  197   1HG1  ILE  28          2HG1      ILE  28  -2.349   8.838  -2.327
  198   2HG1  ILE  28          3HG1      ILE  28  -0.999   7.796  -2.673
  199   1HG2  ILE  28          1HG2      ILE  28  -2.028   6.327  -5.131
  200   2HG2  ILE  28          2HG2      ILE  28  -1.255   5.589  -3.709
  201   3HG2  ILE  28          3HG2      ILE  28  -2.849   5.028  -4.276
  202   1HD1  ILE  28          1HD1      ILE  28  -2.557   9.258  -4.840
  203   2HD1  ILE  28          2HD1      ILE  28  -1.079   9.859  -4.061
  204   3HD1  ILE  28          3HD1      ILE  28  -1.027   8.383  -5.032
  205    H    ASP  29           H        ASP  29  -5.727   6.929  -1.651
  206    HA   ASP  29           HA       ASP  29  -6.634   4.194  -1.996
  207   1HB   ASP  29          HB2       ASP  29  -7.430   6.457  -0.121
  208   2HB   ASP  29          HB3       ASP  29  -8.200   4.891  -0.097
  209    H    ARG  30           H        ARG  30  -8.288   7.441  -2.218
  210    HA   ARG  30           HA       ARG  30 -10.699   6.219  -3.163
  211   1HB   ARG  30          HB2       ARG  30 -11.629   8.358  -3.387
  212   2HB   ARG  30          HB3       ARG  30 -10.616   8.352  -1.923
  213   1HG   ARG  30          HG2       ARG  30  -8.875   9.548  -3.101
  214   2HG   ARG  30          HG3       ARG  30  -9.786   9.546  -4.595
  215   1HD   ARG  30          HD2       ARG  30 -11.365  11.133  -3.779
  216   2HD   ARG  30          HD3       ARG  30 -11.108  10.628  -2.096
  217    HE   ARG  30           HE       ARG  30  -9.425  12.099  -1.826
  218   1HH1  ARG  30          2HH2      ARG  30  -9.575  11.590  -5.319
  219   2HH1  ARG  30          1HH2      ARG  30  -8.175  12.653  -5.487
  220   1HH2  ARG  30          1HH1      ARG  30  -7.734  13.451  -2.318
  221   2HH2  ARG  30          2HH1      ARG  30  -7.284  13.595  -4.007
  222    H    ALA  31           H        ALA  31  -7.928   7.533  -4.972
  223    HA   ALA  31           HA       ALA  31  -8.998   7.376  -7.591
  224   1HB   ALA  31          HB1       ALA  31  -6.211   6.854  -6.532
  225   2HB   ALA  31          HB2       ALA  31  -6.626   7.200  -8.234
  226   3HB   ALA  31          HB3       ALA  31  -6.857   8.451  -7.002
  227    H    LEU  32           H        LEU  32  -8.210   4.825  -5.334
  228    HA   LEU  32           HA       LEU  32  -8.616   2.742  -7.435
  229   1HB   LEU  32          HB2       LEU  32  -7.134   2.596  -4.802
  230   2HB   LEU  32          HB3       LEU  32  -7.294   1.263  -5.947
  231    HG   LEU  32           HG       LEU  32  -5.849   3.898  -6.512
  232   1HD1  LEU  32          1HD1      LEU  32  -3.844   2.832  -5.945
  233   2HD1  LEU  32          2HD1      LEU  32  -4.970   2.372  -4.648
  234   3HD1  LEU  32          3HD1      LEU  32  -4.587   1.198  -5.903
  235   1HD2  LEU  32          1HD2      LEU  32  -4.926   2.802  -8.448
  236   2HD2  LEU  32          2HD2      LEU  32  -5.688   1.252  -7.983
  237   3HD2  LEU  32          3HD2      LEU  32  -6.678   2.633  -8.536
  238    H    GLY  33           H        GLY  33 -10.503   4.386  -5.540
  239   1HA   GLY  33          HA2       GLY  33 -12.529   4.043  -4.550
  240   2HA   GLY  33          HA3       GLY  33 -12.544   2.452  -5.317
  241    H    ILE  34           H        ILE  34  -9.941   2.951  -3.080
  242    HA   ILE  34           HA       ILE  34 -10.571   0.610  -1.717
  243    HB   ILE  34           HB       ILE  34  -8.731   2.788  -0.691
  244   1HG1  ILE  34          2HG1      ILE  34  -8.400   0.388  -2.566
  245   2HG1  ILE  34          3HG1      ILE  34  -8.184   2.081  -2.968
  246   1HG2  ILE  34          1HG2      ILE  34  -7.656   1.005   0.586
  247   2HG2  ILE  34          2HG2      ILE  34  -9.347   1.118   1.058
  248   3HG2  ILE  34          3HG2      ILE  34  -8.830  -0.180  -0.040
  249   1HD1  ILE  34          1HD1      ILE  34  -6.402   0.356  -1.248
  250   2HD1  ILE  34          2HD1      ILE  34  -6.025   1.073  -2.815
  251   3HD1  ILE  34          3HD1      ILE  34  -6.189   2.126  -1.401
  252    HA   PRO  35           HA       PRO  35 -12.647   2.867   1.992
  253   1HB   PRO  35          HB2       PRO  35 -13.892   5.157   0.483
  254   2HB   PRO  35          HB3       PRO  35 -13.436   5.036   2.204
  255   1HG   PRO  35          HG2       PRO  35 -11.803   6.343   0.474
  256   2HG   PRO  35          HG3       PRO  35 -11.091   5.191   1.649
  257   1HD   PRO  35          HD2       PRO  35 -11.834   4.673  -1.262
  258   2HD   PRO  35          HD3       PRO  35 -10.283   4.339  -0.425
  259    H    GLU  36           H        GLU  36 -13.937   2.610  -1.326
  260    HA   GLU  36           HA       GLU  36 -16.541   1.679  -0.313
  261   1HB   GLU  36          HB2       GLU  36 -16.543   3.044  -2.360
  262   2HB   GLU  36          HB3       GLU  36 -15.491   1.885  -3.153
  263   1HG   GLU  36          HG2       GLU  36 -17.882   1.691  -3.802
  264   2HG   GLU  36          HG3       GLU  36 -17.216   0.194  -3.162
  265    H    LEU  37           H        LEU  37 -13.482   0.363  -1.735
  266    HA   LEU  37           HA       LEU  37 -14.310  -2.375  -1.781
  267   1HB   LEU  37          HB2       LEU  37 -11.525  -1.343  -1.155
  268   2HB   LEU  37          HB3       LEU  37 -11.970  -2.970  -1.654
  269    HG   LEU  37           HG       LEU  37 -12.178  -0.483  -3.384
  270   1HD1  LEU  37          1HD1      LEU  37 -10.376  -2.928  -3.549
  271   2HD1  LEU  37          2HD1      LEU  37 -10.360  -1.527  -4.648
  272   3HD1  LEU  37          3HD1      LEU  37  -9.890  -1.327  -2.954
  273   1HD2  LEU  37          1HD2      LEU  37 -12.679  -2.065  -5.233
  274   2HD2  LEU  37          2HD2      LEU  37 -12.806  -3.396  -4.061
  275   3HD2  LEU  37          3HD2      LEU  37 -13.970  -2.053  -4.042
  276    H    VAL  38           H        VAL  38 -13.391  -0.360   0.947
  277    HA   VAL  38           HA       VAL  38 -13.352  -2.396   2.991
  278    HB   VAL  38           HB       VAL  38 -14.105   0.548   3.111
  279   1HG1  VAL  38          1HG1      VAL  38 -15.267  -0.361   4.952
  280   2HG1  VAL  38          2HG1      VAL  38 -13.950  -1.492   5.339
  281   3HG1  VAL  38          3HG1      VAL  38 -13.761   0.262   5.626
  282   1HG2  VAL  38          1HG2      VAL  38 -11.982   0.867   4.112
  283   2HG2  VAL  38          2HG2      VAL  38 -11.642  -0.890   4.166
  284   3HG2  VAL  38          3HG2      VAL  38 -11.715  -0.014   2.615
  285    H    ASN  39           H        ASN  39 -16.053  -0.397   1.725
  286    HA   ASN  39           HA       ASN  39 -18.116  -1.619   3.291
  287   1HB   ASN  39          HB2       ASN  39 -18.238   0.637   2.306
  288   2HB   ASN  39          HB3       ASN  39 -18.181  -0.039   0.677
  289   1HD2  ASN  39          2HD2      ASN  39 -20.135  -0.076  -0.293
  290   2HD2  ASN  39          1HD2      ASN  39 -21.658  -0.290   0.580
  291    H    GLN  40           H        GLN  40 -16.917  -2.267  -0.003
  292    HA   GLN  40           HA       GLN  40 -18.661  -4.509  -0.540
  293   1HB   GLN  40          HB2       GLN  40 -15.953  -3.744  -1.670
  294   2HB   GLN  40          HB3       GLN  40 -16.998  -5.011  -2.334
  295   1HG   GLN  40          HG2       GLN  40 -17.588  -2.021  -2.227
  296   2HG   GLN  40          HG3       GLN  40 -17.145  -2.958  -3.643
  297   1HE2  GLN  40          2HE2      GLN  40 -19.752  -1.465  -2.298
  298   2HE2  GLN  40          1HE2      GLN  40 -20.994  -2.593  -2.866
  299    H    GLY  41           H        GLY  41 -15.824  -4.268   1.435
  300   1HA   GLY  41          HA2       GLY  41 -15.432  -5.821   3.146
  301   2HA   GLY  41          HA3       GLY  41 -16.210  -7.094   2.215
  302    H    GLN  42           H        GLN  42 -13.740  -5.382   0.423
  303    HA   GLN  42           HA       GLN  42 -12.345  -7.789  -0.100
  304   1HB   GLN  42          HB2       GLN  42 -11.841  -4.885  -0.609
  305   2HB   GLN  42          HB3       GLN  42 -10.486  -5.985  -0.812
  306   1HG   GLN  42          HG2       GLN  42 -11.615  -5.626  -2.937
  307   2HG   GLN  42          HG3       GLN  42 -11.711  -7.314  -2.461
  308   1HE2  GLN  42          2HE2      GLN  42 -13.802  -8.237  -2.084
  309   2HE2  GLN  42          1HE2      GLN  42 -15.283  -7.282  -2.318
  310    H    ALA  43           H        ALA  43 -11.851  -5.697   2.664
  311    HA   ALA  43           HA       ALA  43  -9.163  -6.527   3.311
  312   1HB   ALA  43          HB1       ALA  43 -10.280  -4.569   4.331
  313   2HB   ALA  43          HB2       ALA  43 -11.464  -5.657   5.107
  314   3HB   ALA  43          HB3       ALA  43  -9.751  -5.722   5.561
  315    H    LEU  44           H        LEU  44 -12.271  -8.189   3.556
  316    HA   LEU  44           HA       LEU  44 -11.311 -10.057   5.619
  317   1HB   LEU  44          HB2       LEU  44 -14.014  -9.880   4.226
  318   2HB   LEU  44          HB3       LEU  44 -13.632 -10.826   5.648
  319    HG   LEU  44           HG       LEU  44 -13.644  -7.771   5.487
  320   1HD1  LEU  44          1HD1      LEU  44 -15.877  -8.854   5.398
  321   2HD1  LEU  44          2HD1      LEU  44 -15.510  -9.710   6.920
  322   3HD1  LEU  44          3HD1      LEU  44 -15.632  -7.939   6.895
  323   1HD2  LEU  44          1HD2      LEU  44 -13.171  -9.623   7.875
  324   2HD2  LEU  44          2HD2      LEU  44 -11.998  -8.493   7.168
  325   3HD2  LEU  44          3HD2      LEU  44 -13.448  -7.869   7.967
  326    H    GLU  45           H        GLU  45 -11.480 -10.065   2.187
  327    HA   GLU  45           HA       GLU  45 -11.743 -12.919   1.752
  328   1HB   GLU  45          HB2       GLU  45 -10.666 -10.553   0.167
  329   2HB   GLU  45          HB3       GLU  45 -10.641 -12.205  -0.489
  330   1HG   GLU  45          HG2       GLU  45 -13.096 -12.323  -0.281
  331   2HG   GLU  45          HG3       GLU  45 -13.120 -10.670   0.378
  332    HA   PRO  46           HA       PRO  46  -7.420 -14.134   2.320
  333   1HB   PRO  46          HB2       PRO  46  -7.105 -16.211   0.586
  334   2HB   PRO  46          HB3       PRO  46  -8.182 -16.298   2.009
  335   1HG   PRO  46          HG2       PRO  46  -8.943 -15.627  -0.852
  336   2HG   PRO  46          HG3       PRO  46  -9.684 -16.869   0.215
  337   1HD   PRO  46          HD2       PRO  46 -10.758 -14.376  -0.043
  338   2HD   PRO  46          HD3       PRO  46 -10.764 -15.234   1.518
  339    H    LYS  47           H        LYS  47  -8.477 -12.497  -0.413
  340    HA   LYS  47           HA       LYS  47  -5.804 -11.959  -1.596
  341   1HB   LYS  47          HB2       LYS  47  -6.690 -12.433  -3.818
  342   2HB   LYS  47          HB3       LYS  47  -6.777 -13.870  -2.814
  343   1HG   LYS  47          HG2       LYS  47  -8.914 -14.088  -3.434
  344   2HG   LYS  47          HG3       LYS  47  -9.320 -12.723  -2.431
  345   1HD   LYS  47          HD2       LYS  47  -8.618 -12.643  -5.394
  346   2HD   LYS  47          HD3       LYS  47 -10.236 -12.641  -4.722
  347   1HE   LYS  47          HE2       LYS  47  -8.214 -10.386  -4.428
  348   2HE   LYS  47          HE3       LYS  47  -9.603 -10.422  -5.507
  349   1HZ   LYS  47          HZ1       LYS  47 -10.922 -10.723  -3.320
  350   2HZ   LYS  47          HZ2       LYS  47  -9.562 -10.243  -2.579
  351   3HZ   LYS  47          HZ3       LYS  47 -10.323  -9.234  -3.610
  352    HT1  PRO  48           H2       PRO  48  15.033  -6.122 -11.516
  353    HT2  PRO  48           H3       PRO  48  15.307  -6.164 -13.130
  354    HA   PRO  48           HA       PRO  48  13.649  -4.354 -11.684
  355   1HB   PRO  48          HB2       PRO  48  14.703  -2.524 -13.528
  356   2HB   PRO  48          HB3       PRO  48  15.103  -2.585 -11.811
  357   1HG   PRO  48          HG2       PRO  48  16.657  -3.892 -14.068
  358   2HG   PRO  48          HG3       PRO  48  17.270  -2.886 -12.708
  359   1HD   PRO  48          HD2       PRO  48  17.419  -5.520 -12.416
  360   2HD   PRO  48          HD3       PRO  48  16.690  -4.575 -11.103
  361    H    ASN  49           H        ASN  49  12.541  -6.210 -12.551
  362    HA   ASN  49           HA       ASN  49  11.140  -6.137 -14.887
  363   1HB   ASN  49          HB2       ASN  49  12.342  -8.052 -16.206
  364   2HB   ASN  49          HB3       ASN  49  12.914  -6.411 -16.389
  365   1HD2  ASN  49          1HD2      ASN  49  14.831  -7.532 -17.267
  366   2HD2  ASN  49          2HD2      ASN  49  16.073  -8.038 -16.128
  367    H    ARG  50           H        ARG  50  12.778  -9.179 -13.975
  368    HA   ARG  50           HA       ARG  50  10.247 -10.246 -12.950
  369   1HB   ARG  50          HB2       ARG  50  11.273 -12.239 -12.448
  370   2HB   ARG  50          HB3       ARG  50  12.072 -11.719 -13.920
  371   1HG   ARG  50          HG2       ARG  50  13.166 -11.523 -11.076
  372   2HG   ARG  50          HG3       ARG  50  13.592 -12.770 -12.239
  373   1HD   ARG  50          HD2       ARG  50  14.760 -11.213 -13.670
  374   2HD   ARG  50          HD3       ARG  50  14.119  -9.825 -12.775
  375    HE   ARG  50           HE       ARG  50  15.647 -11.611 -11.088
  376   1HH1  ARG  50          1HH1      ARG  50  15.953  -8.712 -13.163
  377   2HH1  ARG  50          2HH1      ARG  50  17.255  -8.185 -12.075
  378   1HH2  ARG  50          2HH2      ARG  50  17.185 -10.538  -9.853
  379   2HH2  ARG  50          1HH2      ARG  50  17.983  -9.180 -10.610
  380    H    SER  51           H        SER  51  13.024  -8.655 -11.551
  381    HA   SER  51           HA       SER  51  11.858  -8.556  -8.839
  382   1HB   SER  51          HB2       SER  51  13.870  -6.975  -8.483
  383   2HB   SER  51          HB3       SER  51  14.226  -8.679  -8.751
  384    HG   SER  51           HG       SER  51  15.466  -7.084  -9.944
  385    H    ILE  52           H        ILE  52  10.079  -7.398  -8.852
  386    HA   ILE  52           HA       ILE  52   9.687  -5.134 -10.696
  387    HB   ILE  52           HB       ILE  52   7.326  -5.191  -9.619
  388   1HG1  ILE  52          2HG1      ILE  52   8.143  -6.724  -7.672
  389   2HG1  ILE  52          3HG1      ILE  52   6.534  -6.857  -8.375
  390   1HG2  ILE  52          1HG2      ILE  52   7.815  -5.858 -11.895
  391   2HG2  ILE  52          2HG2      ILE  52   8.319  -7.464 -11.348
  392   3HG2  ILE  52          3HG2      ILE  52   6.624  -6.944 -11.165
  393   1HD1  ILE  52          1HD1      ILE  52   8.794  -8.756  -8.960
  394   2HD1  ILE  52          2HD1      ILE  52   7.364  -9.005  -7.917
  395   3HD1  ILE  52          3HD1      ILE  52   7.170  -8.793  -9.674
  396    H    SER  53           H        SER  53  10.807  -5.405  -7.497
  397    HA   SER  53           HA       SER  53   9.986  -2.617  -6.938
  398   1HB   SER  53          HB2       SER  53  10.316  -3.074  -4.598
  399   2HB   SER  53          HB3       SER  53   9.244  -4.315  -5.262
  400    HG   SER  53           HG       SER  53  11.274  -5.597  -5.491
  401    HA   PRO  54           HA       PRO  54  14.686  -2.741  -6.093
  402   1HB   PRO  54          HB2       PRO  54  16.246  -3.000  -8.330
  403   2HB   PRO  54          HB3       PRO  54  15.606  -4.420  -7.418
  404   1HG   PRO  54          HG2       PRO  54  14.322  -3.038  -9.801
  405   2HG   PRO  54          HG3       PRO  54  14.753  -4.790  -9.672
  406   1HD   PRO  54          HD2       PRO  54  12.302  -3.910  -9.165
  407   2HD   PRO  54          HD3       PRO  54  13.044  -5.147  -8.073
  408    H    SER  55           H        SER  55  12.924  -1.217  -8.692
  409    HA   SER  55           HA       SER  55  14.486   1.301  -8.539
  410   1HB   SER  55          HB2       SER  55  12.759   2.107 -10.117
  411   2HB   SER  55          HB3       SER  55  13.605   0.659 -10.697
  412    HG   SER  55           HG       SER  55  11.251   0.571 -10.914
  413    H    ALA  56           H        ALA  56  11.187   0.127  -7.847
  414    HA   ALA  56           HA       ALA  56  10.158   2.292  -6.449
  415   1HB   ALA  56          HB1       ALA  56   9.669  -0.684  -5.997
  416   2HB   ALA  56          HB2       ALA  56   8.602   0.609  -5.434
  417   3HB   ALA  56          HB3       ALA  56   8.831   0.354  -7.165
  418    H    LEU  57           H        LEU  57  12.313  -0.200  -5.306
  419    HA   LEU  57           HA       LEU  57  12.491   0.240  -2.554
  420   1HB   LEU  57          HB2       LEU  57  13.391  -1.680  -3.818
  421   2HB   LEU  57          HB3       LEU  57  14.410  -0.609  -4.778
  422    HG   LEU  57           HG       LEU  57  15.858  -0.254  -2.777
  423   1HD1  LEU  57          1HD1      LEU  57  14.262  -0.742  -0.992
  424   2HD1  LEU  57          2HD1      LEU  57  14.024  -2.389  -1.619
  425   3HD1  LEU  57          3HD1      LEU  57  15.593  -1.914  -0.926
  426   1HD2  LEU  57          1HD2      LEU  57  15.304  -3.096  -3.828
  427   2HD2  LEU  57          2HD2      LEU  57  16.416  -1.924  -4.520
  428   3HD2  LEU  57          3HD2      LEU  57  16.762  -2.644  -2.937
  429    H    GLN  58           H        GLN  58  13.812   2.152  -5.196
  430    HA   GLN  58           HA       GLN  58  15.113   4.002  -3.289
  431   1HB   GLN  58          HB2       GLN  58  15.622   3.236  -6.066
  432   2HB   GLN  58          HB3       GLN  58  15.178   4.915  -6.052
  433   1HG   GLN  58          HG2       GLN  58  17.379   3.704  -4.347
  434   2HG   GLN  58          HG3       GLN  58  17.602   4.659  -5.815
  435   1HE2  GLN  58          2HE2      GLN  58  18.055   5.023  -2.635
  436   2HE2  GLN  58          1HE2      GLN  58  17.521   6.699  -2.473
  437    H    ASP  59           H        ASP  59  12.828   4.070  -6.007
  438    HA   ASP  59           HA       ASP  59  11.971   6.708  -5.494
  439   1HB   ASP  59          HB2       ASP  59  11.378   4.474  -7.464
  440   2HB   ASP  59          HB3       ASP  59  10.167   5.729  -7.337
  441    H    LEU  60           H        LEU  60  10.183   3.679  -4.773
  442    HA   LEU  60           HA       LEU  60   7.778   5.278  -4.234
  443   1HB   LEU  60          HB2       LEU  60   7.769   3.039  -5.369
  444   2HB   LEU  60          HB3       LEU  60   8.260   2.299  -3.863
  445    HG   LEU  60           HG       LEU  60   6.184   2.670  -2.841
  446   1HD1  LEU  60          1HD1      LEU  60   5.652   4.969  -3.227
  447   2HD1  LEU  60          2HD1      LEU  60   5.589   4.766  -4.991
  448   3HD1  LEU  60          3HD1      LEU  60   4.352   4.017  -3.974
  449   1HD2  LEU  60          1HD2      LEU  60   5.574   2.283  -5.817
  450   2HD2  LEU  60          2HD2      LEU  60   6.241   1.025  -4.767
  451   3HD2  LEU  60          3HD2      LEU  60   4.610   1.683  -4.466
  452    H    LEU  61           H        LEU  61  10.305   3.403  -2.629
  453    HA   LEU  61           HA       LEU  61   9.563   3.788   0.065
  454   1HB   LEU  61          HB2       LEU  61  11.250   2.201  -0.952
  455   2HB   LEU  61          HB3       LEU  61  12.379   3.543  -1.024
  456    HG   LEU  61           HG       LEU  61  12.450   3.689   1.407
  457   1HD1  LEU  61          1HD1      LEU  61  10.285   1.535   1.428
  458   2HD1  LEU  61          2HD1      LEU  61  11.250   2.017   2.842
  459   3HD1  LEU  61          3HD1      LEU  61  10.190   3.201   2.092
  460   1HD2  LEU  61          1HD2      LEU  61  12.586   0.775   0.479
  461   2HD2  LEU  61          2HD2      LEU  61  13.890   1.967   0.395
  462   3HD2  LEU  61          3HD2      LEU  61  13.306   1.401   1.965
  463    H    ARG  62           H        ARG  62  11.835   5.968  -1.928
  464    HA   ARG  62           HA       ARG  62  11.918   7.839   0.251
  465   1HB   ARG  62          HB2       ARG  62  13.128   9.245  -1.026
  466   2HB   ARG  62          HB3       ARG  62  13.540   7.710  -1.741
  467   1HG   ARG  62          HG2       ARG  62  11.965   8.235  -3.641
  468   2HG   ARG  62          HG3       ARG  62  11.596   9.778  -2.849
  469   1HD   ARG  62          HD2       ARG  62  13.215  10.579  -4.218
  470   2HD   ARG  62          HD3       ARG  62  14.263  10.063  -2.912
  471    HE   ARG  62           HE       ARG  62  15.067   8.292  -4.265
  472   1HH1  ARG  62          2HH2      ARG  62  12.319   9.754  -5.985
  473   2HH1  ARG  62          1HH2      ARG  62  12.497   8.600  -7.278
  474   1HH2  ARG  62          1HH1      ARG  62  15.343   7.161  -5.947
  475   2HH2  ARG  62          2HH1      ARG  62  14.190   7.129  -7.275
  476    H    THR  63           H        THR  63   9.664   7.471  -2.383
  477    HA   THR  63           HA       THR  63   8.194   9.885  -2.110
  478    HB   THR  63           HB       THR  63   7.529   7.128  -3.219
  479    HG1  THR  63           HG1      THR  63   8.848   8.017  -4.490
  480   1HG2  THR  63          1HG2      THR  63   5.375   7.879  -2.791
  481   2HG2  THR  63          2HG2      THR  63   5.745   9.543  -3.340
  482   3HG2  THR  63          3HG2      THR  63   5.666   8.218  -4.510
  483    H    LEU  64           H        LEU  64   7.953   6.994  -0.140
  484    HA   LEU  64           HA       LEU  64   5.878   8.528   1.391
  485   1HB   LEU  64          HB2       LEU  64   5.658   5.890   0.417
  486   2HB   LEU  64          HB3       LEU  64   5.993   5.771   2.137
  487    HG   LEU  64           HG       LEU  64   4.098   7.649   2.383
  488   1HD1  LEU  64          1HD1      LEU  64   3.853   8.113  -0.009
  489   2HD1  LEU  64          2HD1      LEU  64   3.430   6.418  -0.331
  490   3HD1  LEU  64          3HD1      LEU  64   2.359   7.422   0.659
  491   1HD2  LEU  64          1HD2      LEU  64   2.404   5.582   2.143
  492   2HD2  LEU  64          2HD2      LEU  64   3.944   4.698   2.008
  493   3HD2  LEU  64          3HD2      LEU  64   3.629   5.694   3.430
  494    H    LYS  65           H        LYS  65   9.121   7.279   1.655
  495    HA   LYS  65           HA       LYS  65   9.297   7.480   4.486
  496   1HB   LYS  65          HB2       LYS  65  11.217   7.790   2.208
  497   2HB   LYS  65          HB3       LYS  65  11.757   8.396   3.745
  498   1HG   LYS  65          HG2       LYS  65  10.521   5.636   3.720
  499   2HG   LYS  65          HG3       LYS  65  12.105   5.847   3.023
  500   1HD   LYS  65          HD2       LYS  65  12.302   5.169   5.328
  501   2HD   LYS  65          HD3       LYS  65  12.947   6.797   5.175
  502   1HE   LYS  65          HE2       LYS  65  10.100   6.275   6.110
  503   2HE   LYS  65          HE3       LYS  65  11.488   6.136   7.201
  504   1HZ   LYS  65          HZ1       LYS  65  12.043   8.457   6.638
  505   2HZ   LYS  65          HZ2       LYS  65  10.623   8.626   5.858
  506   3HZ   LYS  65          HZ3       LYS  65  10.611   8.305   7.434
  507    H    SER  66           H        SER  66   8.911   9.824   1.983
  508    HA   SER  66           HA       SER  66   8.945  12.171   3.807
  509   1HB   SER  66          HB2       SER  66   8.389  13.365   1.648
  510   2HB   SER  66          HB3       SER  66  10.035  12.740   1.798
  511    HG   SER  66           HG       SER  66   9.427  10.982   0.436
  512    HA   PRO  67           HA       PRO  67   4.988  10.187   4.287
  513   1HB   PRO  67          HB2       PRO  67   4.090  12.615   5.857
  514   2HB   PRO  67          HB3       PRO  67   4.032  10.893   6.335
  515   1HG   PRO  67          HG2       PRO  67   5.916  12.560   7.359
  516   2HG   PRO  67          HG3       PRO  67   6.371  10.901   6.843
  517   1HD   PRO  67          HD2       PRO  67   6.647  13.468   5.256
  518   2HD   PRO  67          HD3       PRO  67   7.899  12.218   5.598
  519    H    SER  68           H        SER  68   2.655  10.311   4.016
  520    HA   SER  68           HA       SER  68   2.206  11.294   1.393
  521   1HB   SER  68          HB2       SER  68   0.088  10.389   1.475
  522   2HB   SER  68          HB3       SER  68   1.131   9.318   2.421
  523    HG   SER  68           HG       SER  68   0.226  10.065   4.257
  524    H    SER  69           H        SER  69   1.884  13.054   4.334
  525    HA   SER  69           HA       SER  69  -0.239  14.747   3.555
  526   1HB   SER  69          HB2       SER  69   0.898  14.501   5.876
  527   2HB   SER  69          HB3       SER  69   1.992  15.776   5.340
  528    HG   SER  69           HG       SER  69  -0.846  15.761   5.512
  529    HA   PRO  70           HA       PRO  70   2.527  17.584   1.044
  530   1HB   PRO  70          HB2       PRO  70   5.197  17.009   0.647
  531   2HB   PRO  70          HB3       PRO  70   4.610  18.063   1.964
  532   1HG   PRO  70          HG2       PRO  70   5.303  15.107   2.104
  533   2HG   PRO  70          HG3       PRO  70   5.823  16.412   3.212
  534   1HD   PRO  70          HD2       PRO  70   3.714  14.846   3.875
  535   2HD   PRO  70          HD3       PRO  70   3.657  16.613   4.147
  536    H    GLN  71           H        GLN  71   3.457  14.118   1.082
  537    HA   GLN  71           HA       GLN  71   3.670  13.926  -1.823
  538   1HB   GLN  71          HB2       GLN  71   3.939  11.946   0.481
  539   2HB   GLN  71          HB3       GLN  71   4.130  11.489  -1.200
  540   1HG   GLN  71          HG2       GLN  71   5.789  13.723   0.077
  541   2HG   GLN  71          HG3       GLN  71   6.223  12.024   0.095
  542   1HE2  GLN  71          2HE2      GLN  71   8.115  12.278  -1.095
  543   2HE2  GLN  71          1HE2      GLN  71   8.022  12.642  -2.844
  544    H    GLN  72           H        GLN  72   1.135  14.819  -1.042
  545    HA   GLN  72           HA       GLN  72  -0.748  12.665  -0.918
  546   1HB   GLN  72          HB2       GLN  72  -2.433  14.473  -0.885
  547   2HB   GLN  72          HB3       GLN  72  -1.133  14.769   0.256
  548   1HG   GLN  72          HG2       GLN  72  -0.092  16.379  -1.389
  549   2HG   GLN  72          HG3       GLN  72  -1.452  16.099  -2.473
  550   1HE2  GLN  72          2HE2      GLN  72  -0.804  17.055   1.005
  551   2HE2  GLN  72          1HE2      GLN  72  -2.196  18.156   0.997
  552    H    GLN  73           H        GLN  73   0.388  14.585  -3.618
  553    HA   GLN  73           HA       GLN  73  -1.817  13.822  -5.370
  554   1HB   GLN  73          HB2       GLN  73  -0.405  14.726  -7.197
  555   2HB   GLN  73          HB3       GLN  73  -0.793  15.860  -5.916
  556   1HG   GLN  73          HG2       GLN  73   1.892  14.455  -6.139
  557   2HG   GLN  73          HG3       GLN  73   1.518  16.026  -6.847
  558   1HE2  GLN  73          2HE2      GLN  73   2.633  14.512  -3.983
  559   2HE2  GLN  73          1HE2      GLN  73   2.485  15.917  -2.928
  560    H    GLN  74           H        GLN  74  -1.379  12.620  -7.440
  561    HA   GLN  74           HA       GLN  74  -0.885   9.900  -6.772
  562   1HB   GLN  74          HB2       GLN  74  -1.426  11.283  -9.404
  563   2HB   GLN  74          HB3       GLN  74  -1.340   9.535  -9.213
  564   1HG   GLN  74          HG2       GLN  74  -3.057   9.717  -7.341
  565   2HG   GLN  74          HG3       GLN  74  -3.300  11.398  -7.797
  566   1HE2  GLN  74          2HE2      GLN  74  -5.639  10.544  -8.062
  567   2HE2  GLN  74          1HE2      GLN  74  -5.958   9.807  -9.636
  568    H    GLN  75           H        GLN  75   1.649  11.632  -6.633
  569    HA   GLN  75           HA       GLN  75   3.435  10.298  -8.529
  570   1HB   GLN  75          HB2       GLN  75   5.172  11.443  -7.674
  571   2HB   GLN  75          HB3       GLN  75   3.870  12.555  -7.303
  572   1HG   GLN  75          HG2       GLN  75   5.268  10.667  -5.375
  573   2HG   GLN  75          HG3       GLN  75   5.520  12.398  -5.500
  574   1HE2  GLN  75          2HE2      GLN  75   3.972  10.100  -3.635
  575   2HE2  GLN  75          1HE2      GLN  75   2.687  11.132  -3.009
  576    H    VAL  76           H        VAL  76   2.027   9.358  -5.455
  577    HA   VAL  76           HA       VAL  76   3.795   7.061  -5.099
  578    HB   VAL  76           HB       VAL  76   0.865   6.997  -4.301
  579   1HG1  VAL  76          1HG1      VAL  76   1.717   5.671  -2.433
  580   2HG1  VAL  76          2HG1      VAL  76   2.382   5.041  -3.950
  581   3HG1  VAL  76          3HG1      VAL  76   3.381   6.080  -2.887
  582   1HG2  VAL  76          1HG2      VAL  76   1.436   9.151  -3.388
  583   2HG2  VAL  76          2HG2      VAL  76   1.323   7.931  -2.107
  584   3HG2  VAL  76          3HG2      VAL  76   2.920   8.472  -2.642
  585    H    LEU  77           H        LEU  77   0.642   7.658  -6.547
  586    HA   LEU  77           HA       LEU  77   0.076   5.053  -7.332
  587   1HB   LEU  77          HB2       LEU  77  -1.274   7.406  -7.245
  588   2HB   LEU  77          HB3       LEU  77  -1.110   7.240  -8.989
  589    HG   LEU  77           HG       LEU  77  -2.180   5.055  -7.138
  590   1HD1  LEU  77          1HD1      LEU  77  -3.616   7.056  -6.988
  591   2HD1  LEU  77          2HD1      LEU  77  -3.763   7.082  -8.764
  592   3HD1  LEU  77          3HD1      LEU  77  -4.434   5.722  -7.824
  593   1HD2  LEU  77          1HD2      LEU  77  -2.383   5.480 -10.139
  594   2HD2  LEU  77          2HD2      LEU  77  -1.436   4.209  -9.306
  595   3HD2  LEU  77          3HD2      LEU  77  -3.208   4.198  -9.232
  596    H    ASN  78           H        ASN  78   1.631   7.678  -9.125
  597    HA   ASN  78           HA       ASN  78   2.072   6.425 -11.610
  598   1HB   ASN  78          HB2       ASN  78   2.429   8.850 -11.168
  599   2HB   ASN  78          HB3       ASN  78   3.790   8.462 -10.105
  600   1HD2  ASN  78          2HD2      ASN  78   5.763   8.725 -11.098
  601   2HD2  ASN  78          1HD2      ASN  78   5.984   8.442 -12.833
  602    H    ILE  79           H        ILE  79   3.952   6.028  -8.565
  603    HA   ILE  79           HA       ILE  79   5.971   4.428 -10.021
  604    HB   ILE  79           HB       ILE  79   5.791   5.083  -7.107
  605   1HG1  ILE  79          2HG1      ILE  79   7.775   6.295  -9.082
  606   2HG1  ILE  79          3HG1      ILE  79   6.208   7.042  -8.843
  607   1HG2  ILE  79          1HG2      ILE  79   8.037   3.887  -8.833
  608   2HG2  ILE  79          2HG2      ILE  79   8.208   4.334  -7.139
  609   3HG2  ILE  79          3HG2      ILE  79   7.116   3.012  -7.619
  610   1HD1  ILE  79          1HD1      ILE  79   8.220   6.556  -6.619
  611   2HD1  ILE  79          2HD1      ILE  79   7.873   8.107  -7.435
  612   3HD1  ILE  79          3HD1      ILE  79   6.635   7.323  -6.440
  613    H    LEU  80           H        LEU  80   3.442   4.022  -7.577
  614    HA   LEU  80           HA       LEU  80   3.339   1.349  -6.913
  615   1HB   LEU  80          HB2       LEU  80   1.393   3.548  -7.454
  616   2HB   LEU  80          HB3       LEU  80   0.678   1.941  -7.410
  617    HG   LEU  80           HG       LEU  80   2.320   2.973  -5.081
  618   1HD1  LEU  80          1HD1      LEU  80  -0.700   3.251  -5.477
  619   2HD1  LEU  80          2HD1      LEU  80   0.162   3.518  -3.965
  620   3HD1  LEU  80          3HD1      LEU  80   0.470   4.585  -5.317
  621   1HD2  LEU  80          1HD2      LEU  80   0.092   0.917  -5.441
  622   2HD2  LEU  80          2HD2      LEU  80   1.815   0.530  -5.174
  623   3HD2  LEU  80          3HD2      LEU  80   0.845   1.337  -3.900
  624    H    LYS  81           H        LYS  81   1.786   2.757  -9.858
  625    HA   LYS  81           HA       LYS  81   0.719   0.357 -10.817
  626   1HB   LYS  81          HB2       LYS  81   0.224   1.501 -12.811
  627   2HB   LYS  81          HB3       LYS  81   0.174   2.714 -11.529
  628   1HG   LYS  81          HG2       LYS  81   2.587   3.307 -12.142
  629   2HG   LYS  81          HG3       LYS  81   2.397   2.264 -13.549
  630   1HD   LYS  81          HD2       LYS  81   0.293   3.656 -14.084
  631   2HD   LYS  81          HD3       LYS  81   0.886   4.836 -12.909
  632   1HE   LYS  81          HE2       LYS  81   2.432   3.766 -15.314
  633   2HE   LYS  81          HE3       LYS  81   1.553   5.288 -15.325
  634   1HZ   LYS  81          HZ1       LYS  81   3.670   4.834 -13.318
  635   2HZ   LYS  81          HZ2       LYS  81   4.059   5.286 -14.836
  636   3HZ   LYS  81          HZ3       LYS  81   3.149   6.248 -13.920
  637    H    SER  82           H        SER  82   4.064   1.146 -10.855
  638    HA   SER  82           HA       SER  82   4.738  -0.539 -13.167
  639   1HB   SER  82          HB2       SER  82   7.038  -0.001 -12.640
  640   2HB   SER  82          HB3       SER  82   6.098   1.499 -12.521
  641    HG   SER  82           HG       SER  82   6.134   1.248 -10.245
  642    H    ASN  83           H        ASN  83   4.101  -1.210  -9.855
  643    HA   ASN  83           HA       ASN  83   5.471  -3.849 -10.131
  644   1HB   ASN  83          HB2       ASN  83   6.598  -2.412  -8.557
  645   2HB   ASN  83          HB3       ASN  83   5.113  -2.215  -7.641
  646   1HD2  ASN  83          1HD2      ASN  83   7.813  -3.650  -7.352
  647   2HD2  ASN  83          2HD2      ASN  83   7.317  -5.203  -6.624
  648    HA   PRO  84           HA       PRO  84   0.970  -4.506 -10.276
  649   1HB   PRO  84          HB2       PRO  84   1.778  -7.357 -10.745
  650   2HB   PRO  84          HB3       PRO  84   0.726  -6.305 -11.720
  651   1HG   PRO  84          HG2       PRO  84   3.273  -6.938 -12.497
  652   2HG   PRO  84          HG3       PRO  84   2.569  -5.299 -12.813
  653   1HD   PRO  84          HD2       PRO  84   4.459  -6.121 -10.626
  654   2HD   PRO  84          HD3       PRO  84   4.440  -4.662 -11.671
  655    H    GLN  85           H        GLN  85   3.046  -6.940  -8.669
  656    HA   GLN  85           HA       GLN  85   1.203  -7.918  -6.796
  657   1HB   GLN  85          HB2       GLN  85   4.264  -7.737  -6.665
  658   2HB   GLN  85          HB3       GLN  85   3.266  -8.634  -5.533
  659   1HG   GLN  85          HG2       GLN  85   3.920 -10.285  -6.934
  660   2HG   GLN  85          HG3       GLN  85   2.332  -9.899  -7.582
  661   1HE2  GLN  85          2HE2      GLN  85   4.365 -11.346  -9.067
  662   2HE2  GLN  85          1HE2      GLN  85   4.892 -10.232 -10.346
  663    H    LEU  86           H        LEU  86   3.623  -5.286  -6.386
  664    HA   LEU  86           HA       LEU  86   2.929  -4.617  -3.691
  665   1HB   LEU  86          HB2       LEU  86   4.961  -4.039  -5.126
  666   2HB   LEU  86          HB3       LEU  86   3.971  -2.698  -5.740
  667    HG   LEU  86           HG       LEU  86   5.152  -3.218  -2.981
  668   1HD1  LEU  86          1HD1      LEU  86   6.636  -2.294  -4.676
  669   2HD1  LEU  86          2HD1      LEU  86   6.244  -0.992  -3.546
  670   3HD1  LEU  86          3HD1      LEU  86   5.439  -1.067  -5.131
  671   1HD2  LEU  86          1HD2      LEU  86   3.002  -2.279  -2.445
  672   2HD2  LEU  86          2HD2      LEU  86   4.237  -1.042  -2.251
  673   3HD2  LEU  86          3HD2      LEU  86   3.195  -1.023  -3.704
  674    H    MET  87           H        MET  87   1.678  -3.444  -6.864
  675    HA   MET  87           HA       MET  87  -0.131  -1.520  -5.812
  676   1HB   MET  87          HB2       MET  87   0.493  -2.534  -8.385
  677   2HB   MET  87          HB3       MET  87  -1.239  -2.860  -8.183
  678   1HG   MET  87          HG2       MET  87   0.123  -0.192  -7.679
  679   2HG   MET  87          HG3       MET  87  -0.666  -0.610  -9.196
  680   1HE   MET  87          HE1       MET  87  -1.471   2.050  -7.271
  681   2HE   MET  87          HE2       MET  87  -1.845   1.643  -8.959
  682   3HE   MET  87          HE3       MET  87  -3.157   1.970  -7.789
  683    H    ALA  88           H        ALA  88  -0.803  -5.001  -6.610
  684    HA   ALA  88           HA       ALA  88  -3.432  -4.976  -5.452
  685   1HB   ALA  88          HB1       ALA  88  -3.177  -7.441  -5.385
  686   2HB   ALA  88          HB2       ALA  88  -2.648  -6.791  -6.952
  687   3HB   ALA  88          HB3       ALA  88  -1.443  -7.276  -5.740
  688    H    ALA  89           H        ALA  89  -0.235  -5.787  -3.929
  689    HA   ALA  89           HA       ALA  89  -1.262  -6.401  -1.383
  690   1HB   ALA  89          HB1       ALA  89   1.004  -6.967  -2.190
  691   2HB   ALA  89          HB2       ALA  89   1.456  -5.243  -2.094
  692   3HB   ALA  89          HB3       ALA  89   1.011  -6.148  -0.623
  693    H    PHE  90           H        PHE  90  -0.265  -3.218  -2.733
  694    HA   PHE  90           HA       PHE  90  -0.826  -1.613  -0.468
  695   1HB   PHE  90          HB2       PHE  90   0.350  -0.706  -2.367
  696   2HB   PHE  90          HB3       PHE  90  -0.984  -1.037  -3.450
  697    HD1  PHE  90           HD1      PHE  90  -0.049   1.070  -0.417
  698    HD2  PHE  90           HD2      PHE  90  -2.605   0.709  -3.922
  699    HE1  PHE  90           HE1      PHE  90  -0.667   3.387  -0.209
  700    HE2  PHE  90           HE2      PHE  90  -3.350   3.041  -3.522
  701    HZ   PHE  90           HZ       PHE  90  -2.383   4.377  -1.688
  702    H    ILE  91           H        ILE  91  -3.021  -2.327  -3.307
  703    HA   ILE  91           HA       ILE  91  -5.321  -1.167  -2.232
  704    HB   ILE  91           HB       ILE  91  -5.001  -3.530  -4.110
  705   1HG1  ILE  91          2HG1      ILE  91  -5.883  -0.638  -4.574
  706   2HG1  ILE  91          3HG1      ILE  91  -4.224  -1.201  -4.781
  707   1HG2  ILE  91          1HG2      ILE  91  -7.458  -3.203  -4.663
  708   2HG2  ILE  91          2HG2      ILE  91  -7.228  -3.750  -3.007
  709   3HG2  ILE  91          3HG2      ILE  91  -7.562  -2.046  -3.315
  710   1HD1  ILE  91          1HD1      ILE  91  -5.319  -1.062  -6.945
  711   2HD1  ILE  91          2HD1      ILE  91  -5.010  -2.768  -6.556
  712   3HD1  ILE  91          3HD1      ILE  91  -6.647  -2.077  -6.408
  713    H    LYS  92           H        LYS  92  -4.192  -4.520  -1.732
  714    HA   LYS  92           HA       LYS  92  -6.319  -5.337  -0.036
  715   1HB   LYS  92          HB2       LYS  92  -4.765  -6.840  -1.271
  716   2HB   LYS  92          HB3       LYS  92  -3.444  -6.348  -0.203
  717   1HG   LYS  92          HG2       LYS  92  -4.321  -8.507   0.473
  718   2HG   LYS  92          HG3       LYS  92  -4.693  -7.319   1.744
  719   1HD   LYS  92          HD2       LYS  92  -7.013  -7.139   0.929
  720   2HD   LYS  92          HD3       LYS  92  -6.631  -8.178  -0.440
  721   1HE   LYS  92          HE2       LYS  92  -6.049 -10.013   1.192
  722   2HE   LYS  92          HE3       LYS  92  -6.552  -8.939   2.507
  723   1HZ   LYS  92          HZ1       LYS  92  -8.767  -8.861   1.417
  724   2HZ   LYS  92          HZ2       LYS  92  -8.253  -9.872   0.272
  725   3HZ   LYS  92          HZ3       LYS  92  -8.355 -10.399   1.817
  726    H    GLN  93           H        GLN  93  -2.948  -4.392   1.000
  727    HA   GLN  93           HA       GLN  93  -3.811  -4.538   3.720
  728   1HB   GLN  93          HB3       GLN  93  -1.426  -4.894   2.755
  729   2HB   GLN  93          HB2       GLN  93  -1.224  -3.164   2.970
  730   1HG   GLN  93          HG2       GLN  93  -2.294  -4.823   5.297
  731   2HG   GLN  93          HG3       GLN  93  -0.638  -5.086   4.816
  732   1HE2  GLN  93          1HE2      GLN  93  -2.763  -2.220   5.711
  733   2HE2  GLN  93          2HE2      GLN  93  -1.388  -1.443   6.506
  734    H    ARG  94           H        ARG  94  -3.788  -1.827   1.427
  735    HA   ARG  94           HA       ARG  94  -4.298   0.274   3.332
  736   1HB   ARG  94          HB2       ARG  94  -5.190  -0.094   0.452
  737   2HB   ARG  94          HB3       ARG  94  -5.570   1.327   1.409
  738   1HG   ARG  94          HG2       ARG  94  -2.777   0.432   0.597
  739   2HG   ARG  94          HG3       ARG  94  -3.717   1.778  -0.081
  740   1HD   ARG  94          HD2       ARG  94  -2.645   1.477   2.733
  741   2HD   ARG  94          HD3       ARG  94  -1.932   2.471   1.440
  742    HE   ARG  94           HE       ARG  94  -4.491   3.455   1.664
  743   1HH1  ARG  94          1HH1      ARG  94  -1.532   3.465   3.504
  744   2HH1  ARG  94          2HH1      ARG  94  -2.143   4.656   4.654
  745   1HH2  ARG  94          1HH2      ARG  94  -5.015   5.224   2.972
  746   2HH2  ARG  94          2HH2      ARG  94  -3.920   5.660   4.298
  747    H    THR  95           H        THR  95  -6.520  -1.885   1.496
  748    HA   THR  95           HA       THR  95  -8.897  -0.968   2.748
  749    HB   THR  95           HB       THR  95  -8.710  -3.892   2.023
  750    HG1  THR  95           HG1      THR  95  -7.811  -2.691   0.181
  751   1HG2  THR  95          1HG2      THR  95 -10.753  -1.699   1.529
  752   2HG2  THR  95          2HG2      THR  95 -11.000  -3.437   1.261
  753   3HG2  THR  95          3HG2      THR  95 -10.805  -2.796   2.920
  754    H    ALA  96           H        ALA  96  -6.676  -3.585   3.769
  755    HA   ALA  96           HA       ALA  96  -7.929  -4.237   6.240
  756   1HB   ALA  96          HB1       ALA  96  -6.098  -5.560   5.184
  757   2HB   ALA  96          HB2       ALA  96  -4.950  -4.281   5.660
  758   3HB   ALA  96          HB3       ALA  96  -5.829  -5.197   6.888
  759    H    LYS  97           H        LYS  97  -5.419  -1.734   5.569
  760    HA   LYS  97           HA       LYS  97  -5.093  -0.701   8.153
  761   1HB   LYS  97          HB2       LYS  97  -3.661   0.660   7.104
  762   2HB   LYS  97          HB3       LYS  97  -4.134  -0.062   5.610
  763   1HG   LYS  97          HG2       LYS  97  -4.319   2.144   5.075
  764   2HG   LYS  97          HG3       LYS  97  -5.988   1.840   5.510
  765   1HD   LYS  97          HD2       LYS  97  -5.034   2.529   7.952
  766   2HD   LYS  97          HD3       LYS  97  -3.855   3.371   6.921
  767   1HE   LYS  97          HE2       LYS  97  -5.632   4.628   5.837
  768   2HE   LYS  97          HE3       LYS  97  -6.861   3.733   6.758
  769   1HZ   LYS  97          HZ1       LYS  97  -4.744   5.414   7.936
  770   2HZ   LYS  97          HZ2       LYS  97  -6.333   5.846   7.863
  771   3HZ   LYS  97          HZ3       LYS  97  -5.822   4.604   8.792
  772    H    TYR  98           H        TYR  98  -7.619   0.153   5.799
  773    HA   TYR  98           HA       TYR  98  -8.908   2.084   7.504
  774   1HB   TYR  98          HB2       TYR  98  -9.893   0.421   5.172
  775   2HB   TYR  98          HB3       TYR  98 -10.976   1.448   6.114
  776    HD1  TYR  98           HD1      TYR  98 -10.105   3.909   6.518
  777    HD2  TYR  98           HD2      TYR  98  -8.859   1.319   3.315
  778    HE1  TYR  98           HE1      TYR  98  -9.305   5.898   5.216
  779    HE2  TYR  98           HE2      TYR  98  -8.249   3.260   1.935
  780    HH   TYR  98           HH       TYR  98  -7.484   5.678   2.377
  781    H    VAL  99           H        VAL  99  -9.924  -1.383   6.968
  782    HA   VAL  99           HA       VAL  99 -11.833  -1.179   9.087
  783    HB   VAL  99           HB       VAL  99 -12.019  -3.584   9.055
  784   1HG1  VAL  99          1HG1      VAL  99 -11.798  -2.371   6.265
  785   2HG1  VAL  99          2HG1      VAL  99 -12.754  -3.801   6.739
  786   3HG1  VAL  99          3HG1      VAL  99 -13.170  -2.198   7.382
  787   1HG2  VAL  99          1HG2      VAL  99  -9.789  -3.604   7.006
  788   2HG2  VAL  99          2HG2      VAL  99  -9.599  -4.173   8.693
  789   3HG2  VAL  99          3HG2      VAL  99 -10.719  -4.998   7.590
  790    H    ALA 100           H        ALA 100  -8.407  -1.797   9.346
  791    HA   ALA 100           HA       ALA 100  -8.642  -2.564  12.178
  792   1HB   ALA 100          HB1       ALA 100  -6.197  -1.985  10.451
  793   2HB   ALA 100          HB2       ALA 100  -6.190  -2.721  12.067
  794   3HB   ALA 100          HB3       ALA 100  -6.938  -3.580  10.704
  795    H    ASN 101           H        ASN 101  -7.765   0.440  10.476
  796    HA   ASN 101           HA       ASN 101  -7.369   1.753  13.139
  797   1HB   ASN 101          HB2       ASN 101  -5.220   1.555  12.455
  798   2HB   ASN 101          HB3       ASN 101  -5.616   1.484  10.756
  799   1HD2  ASN 101          2HD2      ASN 101  -4.774   3.666  13.410
  800   2HD2  ASN 101          1HD2      ASN 101  -4.584   5.051  12.314
  801    H    GLN 102           H        GLN 102  -9.117   2.063  10.174
  802    HA   GLN 102           HA       GLN 102 -10.407   4.436  11.296
  803   1HB   GLN 102          HB2       GLN 102  -9.130   4.518   8.548
  804   2HB   GLN 102          HB3       GLN 102 -10.480   5.548   9.008
  805   1HG   GLN 102          HG2       GLN 102  -9.124   6.411  10.955
  806   2HG   GLN 102          HG3       GLN 102  -7.739   5.513  10.343
  807   1HE2  GLN 102          2HE2      GLN 102  -9.690   8.431   9.964
  808   2HE2  GLN 102          1HE2      GLN 102  -8.759   9.003   8.568
  809    HA   PRO 103           HA       PRO 103 -13.091   1.184   9.384
  810   1HB   PRO 103          HB2       PRO 103 -14.441   0.264  11.570
  811   2HB   PRO 103          HB3       PRO 103 -12.787  -0.259  11.158
  812   1HG   PRO 103          HG2       PRO 103 -13.579   1.874  13.165
  813   2HG   PRO 103          HG3       PRO 103 -12.417   0.522  13.359
  814   1HD   PRO 103          HD2       PRO 103 -11.613   3.049  12.699
  815   2HD   PRO 103          HD3       PRO 103 -10.784   1.585  12.112
  816    H    GLY 104           H        GLY 104 -13.934   3.080   8.381
  817   1HA   GLY 104          HA2       GLY 104 -15.887   4.838   9.492
  818   2HA   GLY 104          HA3       GLY 104 -15.600   4.569   7.767
  819    H    MET 105           H        MET 105 -16.971   2.682  10.494
  820    HA   MET 105           HA       MET 105 -19.544   2.266   9.141
  821   1HB   MET 105          HB2       MET 105 -19.358  -0.195   9.282
  822   2HB   MET 105          HB3       MET 105 -18.191   0.506   8.184
  823   1HG   MET 105          HG2       MET 105 -16.434   0.317   9.968
  824   2HG   MET 105          HG3       MET 105 -17.631  -0.387  11.043
  825   1HE   MET 105          HE1       MET 105 -15.855  -2.453   7.289
  826   2HE   MET 105          HE2       MET 105 -16.931  -1.038   7.157
  827   3HE   MET 105          HE3       MET 105 -15.343  -0.870   7.927
  828    H    GLN 106           H        GLN 106 -20.937   0.711  10.629
  829    HA   GLN 106           HA       GLN 106 -20.345   0.761  13.447
  830   1HB   GLN 106          HB2       GLN 106 -21.369   2.971  13.196
  831   2HB   GLN 106          HB3       GLN 106 -22.692   2.299  12.251
  832   1HG   GLN 106          HG2       GLN 106 -23.417   2.827  14.503
  833   2HG   GLN 106          HG3       GLN 106 -23.559   1.104  14.208
  834   1HE2  GLN 106          2HE2      GLN 106 -21.747  -0.262  15.133
  835   2HE2  GLN 106          1HE2      GLN 106 -21.033   0.275  16.678
  Start of MODEL    6
    1   1H    GLU   1          H1        GLU   1  16.175  -8.398  -7.486
    2   2H    GLU   1          H2        GLU   1  15.710  -9.704  -6.654
    3   3H    GLU   1          H3        GLU   1  17.296  -9.491  -6.963
    4    HA   GLU   1           HA       GLU   1  15.167 -10.054  -8.947
    5   1HB   GLU   1          HB2       GLU   1  18.039  -9.229  -9.350
    6   2HB   GLU   1          HB3       GLU   1  17.109 -10.022 -10.628
    7   1HG   GLU   1          HG2       GLU   1  16.078  -7.492  -9.269
    8   2HG   GLU   1          HG3       GLU   1  17.200  -7.442 -10.626
    9    H    GLY   2           H        GLY   2  16.196 -11.705  -6.525
   10   1HA   GLY   2          HA2       GLY   2  17.432 -14.033  -7.787
   11   2HA   GLY   2          HA3       GLY   2  16.934 -13.818  -6.114
   12    H    GLN   3           H        GLN   3  14.357 -12.677  -6.950
   13    HA   GLN   3           HA       GLN   3  12.235 -13.116  -7.542
   14   1HB   GLN   3          HB2       GLN   3  13.147 -14.258  -9.579
   15   2HB   GLN   3          HB3       GLN   3  12.942 -15.795  -8.711
   16   1HG   GLN   3          HG2       GLN   3  10.539 -15.334  -8.442
   17   2HG   GLN   3          HG3       GLN   3  10.723 -13.762  -9.251
   18   1HE2  GLN   3          2HE2      GLN   3   8.845 -15.180 -10.455
   19   2HE2  GLN   3          1HE2      GLN   3   9.520 -15.980 -11.893
   20    H    SER   4           H        SER   4  12.593 -13.062  -5.288
   21    HA   SER   4           HA       SER   4  11.109 -14.760  -3.646
   22   1HB   SER   4          HB2       SER   4  14.089 -15.386  -3.557
   23   2HB   SER   4          HB3       SER   4  12.993 -15.718  -2.194
   24    HG   SER   4           HG       SER   4  12.397 -16.632  -4.776
   25    H    ASP   5           H        ASP   5  14.070 -12.720  -3.840
   26    HA   ASP   5           HA       ASP   5  14.098 -11.672  -1.219
   27   1HB   ASP   5          HB2       ASP   5  15.467  -9.872  -2.346
   28   2HB   ASP   5          HB3       ASP   5  16.039 -11.507  -2.540
   29    H    GLU   6           H        GLU   6  12.380 -10.663  -4.201
   30    HA   GLU   6           HA       GLU   6  11.425  -8.195  -3.310
   31   1HB   GLU   6          HB2       GLU   6   9.729  -8.299  -4.978
   32   2HB   GLU   6          HB3       GLU   6  11.272  -8.785  -5.625
   33   1HG   GLU   6          HG2       GLU   6   9.072 -10.742  -4.791
   34   2HG   GLU   6          HG3       GLU   6   9.228 -10.039  -6.392
   35    H    ARG   7           H        ARG   7  10.252 -11.379  -2.188
   36    HA   ARG   7           HA       ARG   7   7.703 -10.334  -1.368
   37   1HB   ARG   7          HB2       ARG   7   8.028 -12.737  -1.456
   38   2HB   ARG   7          HB3       ARG   7   9.343 -12.654  -0.294
   39   1HG   ARG   7          HG2       ARG   7   7.301 -13.488   0.753
   40   2HG   ARG   7          HG3       ARG   7   7.850 -12.000   1.493
   41   1HD   ARG   7          HD2       ARG   7   6.105 -10.814  -0.084
   42   2HD   ARG   7          HD3       ARG   7   5.432 -12.431  -0.294
   43    HE   ARG   7           HE       ARG   7   5.213 -10.646   1.950
   44   1HH1  ARG   7          2HH2      ARG   7   4.959 -14.049   1.184
   45   2HH1  ARG   7          1HH2      ARG   7   4.371 -14.462   2.785
   46   1HH2  ARG   7          1HH1      ARG   7   4.817 -11.241   3.945
   47   2HH2  ARG   7          2HH1      ARG   7   4.189 -12.824   4.377
   48    H    ALA   8           H        ALA   8  10.902 -10.273   0.233
   49    HA   ALA   8           HA       ALA   8   9.841  -9.102   2.692
   50   1HB   ALA   8          HB1       ALA   8  12.233  -8.668   3.187
   51   2HB   ALA   8          HB2       ALA   8  11.977 -10.341   2.673
   52   3HB   ALA   8          HB3       ALA   8  12.664  -9.166   1.530
   53    H    LEU   9           H        LEU   9  11.329  -7.832  -0.287
   54    HA   LEU   9           HA       LEU   9  11.350  -5.083   0.455
   55   1HB   LEU   9          HB2       LEU   9  10.934  -6.029  -2.394
   56   2HB   LEU   9          HB3       LEU   9  11.769  -4.583  -1.857
   57    HG   LEU   9           HG       LEU   9  12.716  -7.443  -1.502
   58   1HD1  LEU   9          1HD1      LEU   9  12.654  -6.587  -3.912
   59   2HD1  LEU   9          2HD1      LEU   9  13.975  -5.511  -3.444
   60   3HD1  LEU   9          3HD1      LEU   9  14.144  -7.277  -3.303
   61   1HD2  LEU   9          1HD2      LEU   9  13.656  -6.027   0.238
   62   2HD2  LEU   9          2HD2      LEU   9  14.909  -6.478  -0.930
   63   3HD2  LEU   9          3HD2      LEU   9  14.226  -4.848  -0.966
   64    H    LEU  10           H        LEU  10   8.877  -7.049  -1.177
   65    HA   LEU  10           HA       LEU  10   6.841  -5.131  -1.660
   66   1HB   LEU  10          HB2       LEU  10   7.024  -7.301  -2.773
   67   2HB   LEU  10          HB3       LEU  10   6.977  -8.147  -1.225
   68    HG   LEU  10           HG       LEU  10   4.601  -7.570  -0.933
   69   1HD1  LEU  10          1HD1      LEU  10   4.399  -5.535  -2.249
   70   2HD1  LEU  10          2HD1      LEU  10   4.897  -6.400  -3.726
   71   3HD1  LEU  10          3HD1      LEU  10   3.344  -6.775  -2.952
   72   1HD2  LEU  10          1HD2      LEU  10   3.771  -9.112  -2.655
   73   2HD2  LEU  10          2HD2      LEU  10   5.263  -8.911  -3.598
   74   3HD2  LEU  10          3HD2      LEU  10   5.312  -9.687  -2.003
   75    H    ASP  11           H        ASP  11   7.306  -7.472   1.047
   76    HA   ASP  11           HA       ASP  11   5.182  -6.461   2.638
   77   1HB   ASP  11          HB2       ASP  11   7.648  -8.066   3.298
   78   2HB   ASP  11          HB3       ASP  11   6.612  -7.471   4.580
   79    H    GLN  12           H        GLN  12   8.651  -5.419   2.916
   80    HA   GLN  12           HA       GLN  12   7.821  -3.428   4.813
   81   1HB   GLN  12          HB2       GLN  12  10.036  -2.530   4.719
   82   2HB   GLN  12          HB3       GLN  12  10.079  -4.288   4.780
   83   1HG   GLN  12          HG2       GLN  12  11.766  -3.808   3.291
   84   2HG   GLN  12          HG3       GLN  12  10.405  -4.212   2.229
   85   1HE2  GLN  12          1HE2      GLN  12  10.073  -2.809   0.534
   86   2HE2  GLN  12          2HE2      GLN  12  10.772  -1.170   0.538
   87    H    LEU  13           H        LEU  13   7.765  -3.345   1.271
   88    HA   LEU  13           HA       LEU  13   7.367  -0.493   1.239
   89   1HB   LEU  13          HB2       LEU  13   8.457  -1.822  -0.564
   90   2HB   LEU  13          HB3       LEU  13   6.906  -2.557  -0.959
   91    HG   LEU  13           HG       LEU  13   6.088  -0.394  -1.780
   92   1HD1  LEU  13          1HD1      LEU  13   7.619   1.603  -1.770
   93   2HD1  LEU  13          2HD1      LEU  13   7.013   1.131  -0.172
   94   3HD1  LEU  13          3HD1      LEU  13   8.681   0.710  -0.650
   95   1HD2  LEU  13          1HD2      LEU  13   8.967  -0.748  -2.692
   96   2HD2  LEU  13          2HD2      LEU  13   7.647  -1.800  -3.219
   97   3HD2  LEU  13          3HD2      LEU  13   7.612  -0.058  -3.601
   98    H    HIS  14           H        HIS  14   5.091  -3.331   1.113
   99    HA   HIS  14           HA       HIS  14   2.827  -1.506   0.839
  100   1HB   HIS  14          HB2       HIS  14   1.334  -3.299   1.088
  101   2HB   HIS  14          HB3       HIS  14   2.600  -3.743  -0.033
  102    HD2  HIS  14           HD2      HIS  14   3.224  -6.204   0.204
  103    HE1  HIS  14           HE1      HIS  14   2.449  -6.789   4.355
  104    HE2  HIS  14           HE2      HIS  14   3.356  -7.883   2.220
  105    H    THR  15           H        THR  15   4.553  -2.898   3.584
  106    HA   THR  15           HA       THR  15   2.768  -1.713   5.546
  107    HB   THR  15           HB       THR  15   5.713  -1.991   6.103
  108    HG1  THR  15           HG1      THR  15   5.090  -4.020   5.192
  109   1HG2  THR  15          1HG2      THR  15   4.214  -1.071   7.874
  110   2HG2  THR  15          2HG2      THR  15   3.168  -2.504   7.727
  111   3HG2  THR  15          3HG2      THR  15   4.818  -2.674   8.340
  112    H    LEU  16           H        LEU  16   5.753  -0.369   3.941
  113    HA   LEU  16           HA       LEU  16   5.664   2.151   5.212
  114   1HB   LEU  16          HB2       LEU  16   7.478   1.528   3.646
  115   2HB   LEU  16          HB3       LEU  16   6.351   1.419   2.320
  116    HG   LEU  16           HG       LEU  16   5.914   4.046   3.250
  117   1HD1  LEU  16          1HD1      LEU  16   8.907   3.574   3.238
  118   2HD1  LEU  16          2HD1      LEU  16   8.018   5.125   3.449
  119   3HD1  LEU  16          3HD1      LEU  16   7.910   3.879   4.685
  120   1HD2  LEU  16          1HD2      LEU  16   5.860   3.575   0.940
  121   2HD2  LEU  16          2HD2      LEU  16   7.215   4.698   1.176
  122   3HD2  LEU  16          3HD2      LEU  16   7.517   2.964   0.926
  123    H    LEU  17           H        LEU  17   3.933   1.264   2.167
  124    HA   LEU  17           HA       LEU  17   2.418   3.704   2.228
  125   1HB   LEU  17          HB2       LEU  17   1.731   1.052   0.938
  126   2HB   LEU  17          HB3       LEU  17   0.774   2.535   0.828
  127    HG   LEU  17           HG       LEU  17   1.782   2.427  -1.204
  128   1HD1  LEU  17          1HD1      LEU  17   3.609   4.274   0.336
  129   2HD1  LEU  17          2HD1      LEU  17   3.249   4.323  -1.404
  130   3HD1  LEU  17          3HD1      LEU  17   1.951   4.640  -0.256
  131   1HD2  LEU  17          1HD2      LEU  17   3.481   0.722  -0.803
  132   2HD2  LEU  17          2HD2      LEU  17   4.052   2.090  -1.756
  133   3HD2  LEU  17          3HD2      LEU  17   4.523   1.975  -0.050
  134    H    SER  18           H        SER  18   1.955   0.942   4.221
  135    HA   SER  18           HA       SER  18  -0.845   1.692   4.904
  136   1HB   SER  18          HB2       SER  18  -0.446  -0.553   4.081
  137   2HB   SER  18          HB3       SER  18   0.712  -0.843   5.396
  138    HG   SER  18           HG       SER  18  -1.100  -0.091   6.765
  139    H    ASN  19           H        ASN  19   2.043   2.407   6.077
  140    HA   ASN  19           HA       ASN  19   2.564   1.771   8.549
  141   1HB   ASN  19          HB2       ASN  19   3.936   3.795   8.568
  142   2HB   ASN  19          HB3       ASN  19   3.820   3.191   6.949
  143   1HD2  ASN  19          1HD2      ASN  19   3.155   4.636   5.387
  144   2HD2  ASN  19          2HD2      ASN  19   2.366   6.189   5.739
  145    H    THR  20           H        THR  20  -0.284   3.125   8.128
  146    HA   THR  20           HA       THR  20  -2.005   3.388   9.618
  147    HB   THR  20           HB       THR  20  -1.909   4.734  11.685
  148    HG1  THR  20           HG1      THR  20   0.839   4.482  11.297
  149   1HG2  THR  20          1HG2      THR  20  -0.116   2.275  11.667
  150   2HG2  THR  20          2HG2      THR  20  -0.940   2.984  13.069
  151   3HG2  THR  20          3HG2      THR  20  -1.886   2.282  11.738
  152    H    ASP  21           H        ASP  21   0.060   5.904   8.275
  153    HA   ASP  21           HA       ASP  21  -1.765   8.021   8.538
  154   1HB   ASP  21          HB2       ASP  21   0.554   8.308   7.845
  155   2HB   ASP  21          HB3       ASP  21   0.236   7.457   6.341
  156    H    ALA  22           H        ALA  22  -3.010   9.021   7.106
  157    HA   ALA  22           HA       ALA  22  -4.153   7.793   4.692
  158   1HB   ALA  22          HB1       ALA  22  -5.953   8.640   7.001
  159   2HB   ALA  22          HB2       ALA  22  -6.497   8.147   5.389
  160   3HB   ALA  22          HB3       ALA  22  -5.678   6.974   6.422
  161    H    THR  23           H        THR  23  -2.970  10.580   6.280
  162    HA   THR  23           HA       THR  23  -4.717  12.634   5.729
  163    HB   THR  23           HB       THR  23  -2.866  12.853   7.243
  164    HG1  THR  23           HG1      THR  23  -1.307  11.634   6.326
  165   1HG2  THR  23          1HG2      THR  23  -1.885  14.964   6.604
  166   2HG2  THR  23          2HG2      THR  23  -3.611  14.956   6.159
  167   3HG2  THR  23          3HG2      THR  23  -2.349  14.742   4.912
  168    H    GLY  24           H        GLY  24  -1.887  11.957   3.692
  169   1HA   GLY  24          HA2       GLY  24  -3.366  13.108   1.326
  170   2HA   GLY  24          HA3       GLY  24  -1.613  12.916   1.439
  171    H    LEU  25           H        LEU  25  -2.494  10.106   2.653
  172    HA   LEU  25           HA       LEU  25  -2.385   8.554   0.194
  173   1HB   LEU  25          HB2       LEU  25  -2.752   7.971   3.106
  174   2HB   LEU  25          HB3       LEU  25  -3.088   6.698   1.928
  175    HG   LEU  25           HG       LEU  25  -0.450   8.181   1.743
  176   1HD1  LEU  25          1HD1      LEU  25  -1.308   6.469   4.020
  177   2HD1  LEU  25          2HD1      LEU  25   0.218   5.995   3.263
  178   3HD1  LEU  25          3HD1      LEU  25   0.019   7.633   3.889
  179   1HD2  LEU  25          1HD2      LEU  25   0.289   6.004   0.876
  180   2HD2  LEU  25          2HD2      LEU  25  -1.293   5.281   1.289
  181   3HD2  LEU  25          3HD2      LEU  25  -1.177   6.510   0.017
  182    H    GLU  26           H        GLU  26  -5.069   9.909   2.149
  183    HA   GLU  26           HA       GLU  26  -7.161   8.382   1.270
  184   1HB   GLU  26          HB2       GLU  26  -8.639  10.136   1.757
  185   2HB   GLU  26          HB3       GLU  26  -7.325  10.215   2.891
  186   1HG   GLU  26          HG2       GLU  26  -7.693  12.443   2.413
  187   2HG   GLU  26          HG3       GLU  26  -6.303  12.064   1.413
  188    H    GLU  27           H        GLU  27  -5.614  10.982  -0.643
  189    HA   GLU  27           HA       GLU  27  -7.341  10.866  -2.906
  190   1HB   GLU  27          HB2       GLU  27  -5.720  12.697  -2.681
  191   2HB   GLU  27          HB3       GLU  27  -4.415  11.568  -2.429
  192   1HG   GLU  27          HG2       GLU  27  -4.045  12.602  -4.496
  193   2HG   GLU  27          HG3       GLU  27  -4.409  10.909  -4.799
  194    H    ILE  28           H        ILE  28  -4.367   9.074  -2.247
  195    HA   ILE  28           HA       ILE  28  -4.381   7.609  -4.734
  196    HB   ILE  28           HB       ILE  28  -3.053   6.652  -2.170
  197   1HG1  ILE  28          2HG1      ILE  28  -2.432   9.008  -2.232
  198   2HG1  ILE  28          3HG1      ILE  28  -1.062   7.998  -2.599
  199   1HG2  ILE  28          1HG2      ILE  28  -2.211   6.533  -5.098
  200   2HG2  ILE  28          2HG2      ILE  28  -1.323   5.822  -3.726
  201   3HG2  ILE  28          3HG2      ILE  28  -2.918   5.203  -4.175
  202   1HD1  ILE  28          1HD1      ILE  28  -2.707   9.339  -4.771
  203   2HD1  ILE  28          2HD1      ILE  28  -1.315  10.088  -3.964
  204   3HD1  ILE  28          3HD1      ILE  28  -1.094   8.597  -4.922
  205    H    ASP  29           H        ASP  29  -5.719   7.074  -1.540
  206    HA   ASP  29           HA       ASP  29  -6.489   4.336  -1.897
  207   1HB   ASP  29          HB2       ASP  29  -7.403   6.501   0.051
  208   2HB   ASP  29          HB3       ASP  29  -7.977   4.850   0.099
  209    H    ARG  30           H        ARG  30  -8.301   7.478  -2.145
  210    HA   ARG  30           HA       ARG  30 -10.700   6.137  -3.042
  211   1HB   ARG  30          HB2       ARG  30 -11.695   8.256  -3.286
  212   2HB   ARG  30          HB3       ARG  30 -10.710   8.279  -1.812
  213   1HG   ARG  30          HG2       ARG  30  -9.001   9.590  -2.919
  214   2HG   ARG  30          HG3       ARG  30  -9.872   9.553  -4.439
  215   1HD   ARG  30          HD2       ARG  30 -11.550  11.042  -3.617
  216   2HD   ARG  30          HD3       ARG  30 -11.330  10.483  -1.956
  217    HE   ARG  30           HE       ARG  30  -9.753  12.059  -1.581
  218   1HH1  ARG  30          2HH2      ARG  30  -9.832  11.725  -5.118
  219   2HH1  ARG  30          1HH2      ARG  30  -8.406  12.757  -5.183
  220   1HH2  ARG  30          1HH1      ARG  30  -8.034  13.444  -2.004
  221   2HH2  ARG  30          2HH1      ARG  30  -7.562  13.648  -3.674
  222    H    ALA  31           H        ALA  31  -7.971   7.648  -4.824
  223    HA   ALA  31           HA       ALA  31  -9.065   7.378  -7.412
  224   1HB   ALA  31          HB1       ALA  31  -6.682   7.471  -8.117
  225   2HB   ALA  31          HB2       ALA  31  -7.083   8.700  -6.912
  226   3HB   ALA  31          HB3       ALA  31  -6.185   7.249  -6.422
  227    H    LEU  32           H        LEU  32  -7.908   4.915  -5.225
  228    HA   LEU  32           HA       LEU  32  -8.257   2.850  -7.342
  229   1HB   LEU  32          HB2       LEU  32  -6.407   2.888  -4.937
  230   2HB   LEU  32          HB3       LEU  32  -6.709   1.441  -5.890
  231    HG   LEU  32           HG       LEU  32  -5.754   4.015  -7.207
  232   1HD1  LEU  32          1HD1      LEU  32  -3.451   3.004  -7.096
  233   2HD1  LEU  32          2HD1      LEU  32  -4.087   3.598  -5.561
  234   3HD1  LEU  32          3HD1      LEU  32  -4.072   1.842  -5.896
  235   1HD2  LEU  32          1HD2      LEU  32  -5.473   1.096  -7.966
  236   2HD2  LEU  32          2HD2      LEU  32  -6.665   2.210  -8.664
  237   3HD2  LEU  32          3HD2      LEU  32  -4.940   2.521  -8.915
  238    H    GLY  33           H        GLY  33 -10.255   4.152  -5.405
  239   1HA   GLY  33          HA2       GLY  33 -12.293   3.435  -4.622
  240   2HA   GLY  33          HA3       GLY  33 -11.954   1.892  -5.410
  241    H    ILE  34           H        ILE  34  -9.683   2.823  -2.984
  242    HA   ILE  34           HA       ILE  34 -10.042   0.391  -1.605
  243    HB   ILE  34           HB       ILE  34  -8.485   2.827  -0.699
  244   1HG1  ILE  34          2HG1      ILE  34  -7.828   0.416  -2.481
  245   2HG1  ILE  34          3HG1      ILE  34  -7.833   2.106  -2.945
  246   1HG2  ILE  34          1HG2      ILE  34  -8.939   0.995   1.072
  247   2HG2  ILE  34          2HG2      ILE  34  -7.946  -0.037   0.040
  248   3HG2  ILE  34          3HG2      ILE  34  -7.251   1.451   0.721
  249   1HD1  ILE  34          1HD1      ILE  34  -5.824   0.663  -1.245
  250   2HD1  ILE  34          2HD1      ILE  34  -5.576   1.473  -2.791
  251   3HD1  ILE  34          3HD1      ILE  34  -5.885   2.440  -1.332
  252    HA   PRO  35           HA       PRO  35 -12.607   2.580   1.823
  253   1HB   PRO  35          HB2       PRO  35 -13.836   4.768   0.153
  254   2HB   PRO  35          HB3       PRO  35 -13.529   4.740   1.924
  255   1HG   PRO  35          HG2       PRO  35 -11.833   6.092   0.323
  256   2HG   PRO  35          HG3       PRO  35 -11.131   4.984   1.559
  257   1HD   PRO  35          HD2       PRO  35 -11.627   4.404  -1.388
  258   2HD   PRO  35          HD3       PRO  35 -10.136   4.181  -0.448
  259    H    GLU  36           H        GLU  36 -13.561   2.228  -1.591
  260    HA   GLU  36           HA       GLU  36 -16.293   1.335  -0.973
  261   1HB   GLU  36          HB2       GLU  36 -16.150   2.465  -3.000
  262   2HB   GLU  36          HB3       GLU  36 -14.705   1.625  -3.525
  263   1HG   GLU  36          HG2       GLU  36 -16.625   0.930  -4.790
  264   2HG   GLU  36          HG3       GLU  36 -15.910  -0.418  -3.927
  265    H    LEU  37           H        LEU  37 -13.079  -0.087  -1.662
  266    HA   LEU  37           HA       LEU  37 -13.998  -2.822  -1.441
  267   1HB   LEU  37          HB2       LEU  37 -11.281  -1.543  -0.977
  268   2HB   LEU  37          HB3       LEU  37 -11.541  -3.272  -0.862
  269    HG   LEU  37           HG       LEU  37 -12.230  -1.698  -3.385
  270   1HD1  LEU  37          1HD1      LEU  37  -9.705  -3.254  -2.720
  271   2HD1  LEU  37          2HD1      LEU  37 -10.109  -2.564  -4.303
  272   3HD1  LEU  37          3HD1      LEU  37  -9.815  -1.487  -2.923
  273   1HD2  LEU  37          1HD2      LEU  37 -11.768  -4.675  -2.884
  274   2HD2  LEU  37          2HD2      LEU  37 -13.345  -3.910  -3.209
  275   3HD2  LEU  37          3HD2      LEU  37 -12.089  -3.939  -4.454
  276    H    VAL  38           H        VAL  38 -13.066  -0.435   1.028
  277    HA   VAL  38           HA       VAL  38 -13.447  -2.186   3.284
  278    HB   VAL  38           HB       VAL  38 -13.808   0.844   3.085
  279   1HG1  VAL  38          1HG1      VAL  38 -15.181   0.124   4.928
  280   2HG1  VAL  38          2HG1      VAL  38 -13.874  -0.907   5.542
  281   3HG1  VAL  38          3HG1      VAL  38 -13.709   0.875   5.547
  282   1HG2  VAL  38          1HG2      VAL  38 -11.481   0.092   2.777
  283   2HG2  VAL  38          2HG2      VAL  38 -11.727   1.003   4.251
  284   3HG2  VAL  38          3HG2      VAL  38 -11.560  -0.776   4.339
  285    H    ASN  39           H        ASN  39 -15.756   0.105   1.686
  286    HA   ASN  39           HA       ASN  39 -18.091  -0.591   3.061
  287   1HB   ASN  39          HB2       ASN  39 -17.836   1.308   1.492
  288   2HB   ASN  39          HB3       ASN  39 -17.701   0.163   0.146
  289   1HD2  ASN  39          2HD2      ASN  39 -19.492   0.539  -1.083
  290   2HD2  ASN  39          1HD2      ASN  39 -21.122   0.436  -0.414
  291    H    GLN  40           H        GLN  40 -16.749  -2.302   0.207
  292    HA   GLN  40           HA       GLN  40 -18.749  -4.375   0.125
  293   1HB   GLN  40          HB2       GLN  40 -15.916  -4.144  -0.938
  294   2HB   GLN  40          HB3       GLN  40 -16.968  -5.548  -1.239
  295   1HG   GLN  40          HG2       GLN  40 -18.611  -4.198  -2.361
  296   2HG   GLN  40          HG3       GLN  40 -17.738  -2.711  -1.978
  297   1HE2  GLN  40          2HE2      GLN  40 -17.571  -2.212  -4.233
  298   2HE2  GLN  40          1HE2      GLN  40 -16.397  -3.056  -5.254
  299    H    GLY  41           H        GLY  41 -16.097  -3.932   2.330
  300   1HA   GLY  41          HA2       GLY  41 -15.349  -5.237   4.059
  301   2HA   GLY  41          HA3       GLY  41 -16.436  -6.534   3.575
  302    H    GLN  42           H        GLN  42 -14.387  -5.447   1.000
  303    HA   GLN  42           HA       GLN  42 -13.098  -8.100   0.965
  304   1HB   GLN  42          HB2       GLN  42 -13.122  -5.849  -1.078
  305   2HB   GLN  42          HB3       GLN  42 -12.220  -7.363  -1.253
  306   1HG   GLN  42          HG2       GLN  42 -14.494  -8.550  -0.808
  307   2HG   GLN  42          HG3       GLN  42 -15.201  -6.993  -1.232
  308   1HE2  GLN  42          2HE2      GLN  42 -15.167  -6.355  -3.586
  309   2HE2  GLN  42          1HE2      GLN  42 -14.497  -7.533  -4.704
  310    H    ALA  43           H        ALA  43 -12.170  -7.063   3.103
  311    HA   ALA  43           HA       ALA  43  -9.603  -5.640   2.585
  312   1HB   ALA  43          HB1       ALA  43  -9.924  -4.660   4.752
  313   2HB   ALA  43          HB2       ALA  43 -11.460  -4.533   3.865
  314   3HB   ALA  43          HB3       ALA  43 -11.263  -5.760   5.122
  315    H    LEU  44           H        LEU  44 -10.512  -8.799   3.603
  316    HA   LEU  44           HA       LEU  44  -7.932  -9.105   5.114
  317   1HB   LEU  44          HB2       LEU  44 -10.687  -9.927   6.072
  318   2HB   LEU  44          HB3       LEU  44  -9.197 -10.385   6.876
  319    HG   LEU  44           HG       LEU  44 -10.093  -7.489   6.559
  320   1HD1  LEU  44          1HD1      LEU  44 -10.321  -9.345   8.949
  321   2HD1  LEU  44          2HD1      LEU  44 -10.711  -7.618   8.930
  322   3HD1  LEU  44          3HD1      LEU  44 -11.660  -8.732   7.945
  323   1HD2  LEU  44          1HD2      LEU  44  -7.636  -7.706   6.864
  324   2HD2  LEU  44          2HD2      LEU  44  -8.414  -7.060   8.307
  325   3HD2  LEU  44          3HD2      LEU  44  -7.920  -8.766   8.280
  326    H    GLU  45           H        GLU  45  -9.987 -10.486   2.804
  327    HA   GLU  45           HA       GLU  45  -9.404 -13.266   3.194
  328   1HB   GLU  45          HB2       GLU  45 -10.068 -12.029   0.502
  329   2HB   GLU  45          HB3       GLU  45 -10.539 -13.586   1.128
  330   1HG   GLU  45          HG2       GLU  45 -12.545 -12.586   1.347
  331   2HG   GLU  45          HG3       GLU  45 -11.913 -12.086   2.896
  332    HA   PRO  46           HA       PRO  46  -5.484 -13.547   0.928
  333   1HB   PRO  46          HB2       PRO  46  -5.672 -15.863  -0.518
  334   2HB   PRO  46          HB3       PRO  46  -5.469 -15.813   1.251
  335   1HG   PRO  46          HG2       PRO  46  -8.055 -16.089  -0.306
  336   2HG   PRO  46          HG3       PRO  46  -7.467 -17.106   1.038
  337   1HD   PRO  46          HD2       PRO  46  -9.201 -15.129   1.534
  338   2HD   PRO  46          HD3       PRO  46  -7.821 -15.368   2.643
  339    H    LYS  47           H        LYS  47  -8.110 -12.379  -0.576
  340    HA   LYS  47           HA       LYS  47  -6.542 -11.585  -2.857
  341   1HB   LYS  47          HB2       LYS  47  -7.789 -12.235  -4.602
  342   2HB   LYS  47          HB3       LYS  47  -7.997 -13.635  -3.573
  343   1HG   LYS  47          HG2       LYS  47  -9.967 -11.344  -4.000
  344   2HG   LYS  47          HG3       LYS  47 -10.057 -12.900  -4.769
  345   1HD   LYS  47          HD2       LYS  47 -10.759 -14.028  -2.847
  346   2HD   LYS  47          HD3       LYS  47 -10.145 -12.814  -1.726
  347   1HE   LYS  47          HE2       LYS  47 -12.413 -12.238  -3.662
  348   2HE   LYS  47          HE3       LYS  47 -12.649 -12.794  -2.000
  349   1HZ   LYS  47          HZ1       LYS  47 -12.163 -10.762  -1.211
  350   2HZ   LYS  47          HZ2       LYS  47 -10.859 -10.581  -2.113
  351   3HZ   LYS  47          HZ3       LYS  47 -12.365 -10.180  -2.686
  352    HT1  PRO  48           H2       PRO  48  15.126  -5.745 -12.483
  353    HT2  PRO  48           H3       PRO  48  14.535  -4.575 -13.513
  354    HA   PRO  48           HA       PRO  48  13.451  -5.552 -10.988
  355   1HB   PRO  48          HB2       PRO  48  12.183  -3.119 -12.211
  356   2HB   PRO  48          HB3       PRO  48  12.424  -3.576 -10.515
  357   1HG   PRO  48          HG2       PRO  48  14.172  -2.029 -12.333
  358   2HG   PRO  48          HG3       PRO  48  14.320  -2.251 -10.561
  359   1HD   PRO  48          HD2       PRO  48  16.128  -3.361 -12.279
  360   2HD   PRO  48          HD3       PRO  48  15.601  -4.184 -10.799
  361    H    ASN  49           H        ASN  49  13.364  -7.441 -12.454
  362    HA   ASN  49           HA       ASN  49  10.991  -7.378 -14.259
  363   1HB   ASN  49          HB2       ASN  49  12.117  -8.391 -16.009
  364   2HB   ASN  49          HB3       ASN  49  13.281  -7.204 -15.428
  365   1HD2  ASN  49          2HD2      ASN  49  14.939  -8.378 -13.519
  366   2HD2  ASN  49          1HD2      ASN  49  15.438  -9.915 -14.199
  367    H    ARG  50           H        ARG  50  12.976  -9.495 -12.172
  368    HA   ARG  50           HA       ARG  50  10.689 -11.422 -12.112
  369   1HB   ARG  50          HB2       ARG  50  13.484 -11.847 -10.963
  370   2HB   ARG  50          HB3       ARG  50  12.156 -13.009 -11.193
  371   1HG   ARG  50          HG2       ARG  50  12.393 -12.522 -13.719
  372   2HG   ARG  50          HG3       ARG  50  13.925 -11.735 -13.304
  373   1HD   ARG  50          HD2       ARG  50  13.184 -14.626 -12.868
  374   2HD   ARG  50          HD3       ARG  50  14.349 -13.986 -14.033
  375    HE   ARG  50           HE       ARG  50  15.646 -13.140 -11.997
  376   1HH1  ARG  50          1HH2      ARG  50  13.557 -15.955 -11.434
  377   2HH1  ARG  50          2HH2      ARG  50  14.749 -16.693 -10.402
  378   1HH2  ARG  50          1HH1      ARG  50  16.664 -13.905 -10.227
  379   2HH2  ARG  50          2HH1      ARG  50  16.222 -15.415  -9.518
  380    H    SER  51           H        SER  51  12.990  -9.608 -10.119
  381    HA   SER  51           HA       SER  51  11.038  -9.355  -7.895
  382   1HB   SER  51          HB2       SER  51  13.865  -8.255  -8.198
  383   2HB   SER  51          HB3       SER  51  12.919  -8.161  -6.733
  384    HG   SER  51           HG       SER  51  12.952 -10.502  -6.686
  385    H    ILE  52           H        ILE  52   9.562  -7.778  -8.428
  386    HA   ILE  52           HA       ILE  52  10.118  -5.818 -10.534
  387    HB   ILE  52           HB       ILE  52   7.562  -5.560  -9.030
  388   1HG1  ILE  52          2HG1      ILE  52   6.695  -7.488 -10.621
  389   2HG1  ILE  52          3HG1      ILE  52   8.308  -8.129 -10.471
  390   1HG2  ILE  52          1HG2      ILE  52   6.709  -5.253 -11.284
  391   2HG2  ILE  52          2HG2      ILE  52   8.166  -4.275 -11.093
  392   3HG2  ILE  52          3HG2      ILE  52   8.243  -5.799 -11.983
  393   1HD1  ILE  52          1HD1      ILE  52   6.738  -9.123  -8.826
  394   2HD1  ILE  52          2HD1      ILE  52   7.950  -8.192  -7.935
  395   3HD1  ILE  52          3HD1      ILE  52   6.331  -7.515  -8.194
  396    H    SER  53           H        SER  53  10.172  -5.722  -7.072
  397    HA   SER  53           HA       SER  53   9.954  -2.803  -6.964
  398   1HB   SER  53          HB2       SER  53   9.738  -3.202  -4.517
  399   2HB   SER  53          HB3       SER  53   8.503  -3.961  -5.526
  400    HG   SER  53           HG       SER  53   9.308  -5.415  -3.958
  401    HA   PRO  54           HA       PRO  54  14.280  -3.155  -5.152
  402   1HB   PRO  54          HB2       PRO  54  16.227  -3.497  -7.055
  403   2HB   PRO  54          HB3       PRO  54  15.534  -4.848  -6.094
  404   1HG   PRO  54          HG2       PRO  54  14.703  -3.901  -8.850
  405   2HG   PRO  54          HG3       PRO  54  15.078  -5.586  -8.335
  406   1HD   PRO  54          HD2       PRO  54  12.557  -4.672  -8.499
  407   2HD   PRO  54          HD3       PRO  54  13.014  -5.747  -7.132
  408    H    SER  55           H        SER  55  12.981  -1.834  -8.113
  409    HA   SER  55           HA       SER  55  14.474   0.678  -7.939
  410   1HB   SER  55          HB2       SER  55  12.704   1.349  -9.694
  411   2HB   SER  55          HB3       SER  55  13.818   0.072 -10.176
  412    HG   SER  55           HG       SER  55  11.501  -0.314 -10.552
  413    H    ALA  56           H        ALA  56  11.010  -0.320  -7.566
  414    HA   ALA  56           HA       ALA  56  10.113   2.075  -6.405
  415   1HB   ALA  56          HB1       ALA  56   8.700   0.252  -7.293
  416   2HB   ALA  56          HB2       ALA  56   9.086  -0.727  -5.853
  417   3HB   ALA  56          HB3       ALA  56   8.175   0.788  -5.695
  418    H    LEU  57           H        LEU  57  11.783  -0.645  -4.836
  419    HA   LEU  57           HA       LEU  57  11.602  -0.022  -2.126
  420   1HB   LEU  57          HB2       LEU  57  12.518  -2.098  -3.038
  421   2HB   LEU  57          HB3       LEU  57  13.693  -1.194  -3.980
  422    HG   LEU  57           HG       LEU  57  14.928  -0.680  -1.844
  423   1HD1  LEU  57          1HD1      LEU  57  12.972  -2.763  -0.756
  424   2HD1  LEU  57          2HD1      LEU  57  14.432  -2.194   0.073
  425   3HD1  LEU  57          3HD1      LEU  57  13.111  -1.064  -0.237
  426   1HD2  LEU  57          1HD2      LEU  57  15.681  -2.353  -3.414
  427   2HD2  LEU  57          2HD2      LEU  57  15.842  -3.033  -1.787
  428   3HD2  LEU  57          3HD2      LEU  57  14.493  -3.520  -2.844
  429    H    GLN  58           H        GLN  58  13.358   1.638  -4.665
  430    HA   GLN  58           HA       GLN  58  14.660   3.422  -2.677
  431   1HB   GLN  58          HB2       GLN  58  15.027   3.158  -5.696
  432   2HB   GLN  58          HB3       GLN  58  15.860   4.323  -4.680
  433   1HG   GLN  58          HG2       GLN  58  17.088   2.666  -3.513
  434   2HG   GLN  58          HG3       GLN  58  16.060   1.346  -4.091
  435   1HE2  GLN  58          1HE2      GLN  58  16.477   0.355  -6.172
  436   2HE2  GLN  58          2HE2      GLN  58  17.864   0.953  -7.094
  437    H    ASP  59           H        ASP  59  12.746   3.599  -5.711
  438    HA   ASP  59           HA       ASP  59  12.178   6.344  -5.232
  439   1HB   ASP  59          HB2       ASP  59  12.281   4.654  -7.477
  440   2HB   ASP  59          HB3       ASP  59  10.594   5.153  -7.395
  441    H    LEU  60           H        LEU  60  10.035   3.523  -4.693
  442    HA   LEU  60           HA       LEU  60   7.725   5.315  -4.356
  443   1HB   LEU  60          HB2       LEU  60   7.412   3.092  -5.352
  444   2HB   LEU  60          HB3       LEU  60   7.954   2.323  -3.884
  445    HG   LEU  60           HG       LEU  60   6.015   3.001  -2.670
  446   1HD1  LEU  60          1HD1      LEU  60   5.279   4.828  -4.997
  447   2HD1  LEU  60          2HD1      LEU  60   4.217   4.362  -3.651
  448   3HD1  LEU  60          3HD1      LEU  60   5.666   5.311  -3.322
  449   1HD2  LEU  60          1HD2      LEU  60   4.195   2.074  -4.090
  450   2HD2  LEU  60          2HD2      LEU  60   5.190   2.317  -5.538
  451   3HD2  LEU  60          3HD2      LEU  60   5.693   1.151  -4.311
  452    H    LEU  61           H        LEU  61  10.122   3.445  -2.574
  453    HA   LEU  61           HA       LEU  61   9.209   3.940   0.068
  454   1HB   LEU  61          HB2       LEU  61  11.091   2.336  -0.907
  455   2HB   LEU  61          HB3       LEU  61  12.145   3.721  -0.636
  456    HG   LEU  61           HG       LEU  61  11.169   3.666   1.811
  457   1HD1  LEU  61          1HD1      LEU  61  10.605   0.812   0.917
  458   2HD1  LEU  61          2HD1      LEU  61  10.491   1.399   2.564
  459   3HD1  LEU  61          3HD1      LEU  61   9.364   2.020   1.341
  460   1HD2  LEU  61          1HD2      LEU  61  12.856   1.984   2.525
  461   2HD2  LEU  61          2HD2      LEU  61  13.014   1.439   0.871
  462   3HD2  LEU  61          3HD2      LEU  61  13.516   3.084   1.273
  463    H    ARG  62           H        ARG  62  11.756   5.873  -1.741
  464    HA   ARG  62           HA       ARG  62  11.789   7.955   0.230
  465   1HB   ARG  62          HB2       ARG  62  12.925   9.295  -1.295
  466   2HB   ARG  62          HB3       ARG  62  13.455   7.652  -1.626
  467   1HG   ARG  62          HG2       ARG  62  11.793   7.559  -3.508
  468   2HG   ARG  62          HG3       ARG  62  11.403   9.257  -3.225
  469   1HD   ARG  62          HD2       ARG  62  13.787   9.857  -3.729
  470   2HD   ARG  62          HD3       ARG  62  14.109   8.156  -4.076
  471    HE   ARG  62           HE       ARG  62  13.059   8.382  -6.128
  472   1HH1  ARG  62          2HH2      ARG  62  12.300  11.283  -4.372
  473   2HH1  ARG  62          1HH2      ARG  62  11.242  11.907  -5.636
  474   1HH2  ARG  62          1HH1      ARG  62  11.503   9.055  -7.563
  475   2HH2  ARG  62          2HH1      ARG  62  10.852  10.654  -7.468
  476    H    THR  63           H        THR  63   9.547   7.314  -2.392
  477    HA   THR  63           HA       THR  63   8.238   9.832  -2.406
  478    HB   THR  63           HB       THR  63   7.523   7.077  -3.440
  479    HG1  THR  63           HG1      THR  63   8.855   7.912  -4.748
  480   1HG2  THR  63          1HG2      THR  63   5.341   7.865  -3.135
  481   2HG2  THR  63          2HG2      THR  63   5.753   9.496  -3.776
  482   3HG2  THR  63          3HG2      THR  63   5.745   8.075  -4.841
  483    H    LEU  64           H        LEU  64   7.722   7.084  -0.275
  484    HA   LEU  64           HA       LEU  64   5.698   8.839   1.048
  485   1HB   LEU  64          HB2       LEU  64   5.241   6.200   0.267
  486   2HB   LEU  64          HB3       LEU  64   5.606   6.085   1.986
  487    HG   LEU  64           HG       LEU  64   3.973   8.218   2.131
  488   1HD1  LEU  64          1HD1      LEU  64   2.923   6.771  -0.337
  489   2HD1  LEU  64          2HD1      LEU  64   2.133   8.118   0.500
  490   3HD1  LEU  64          3HD1      LEU  64   3.677   8.390  -0.324
  491   1HD2  LEU  64          1HD2      LEU  64   2.243   6.954   2.882
  492   2HD2  LEU  64          2HD2      LEU  64   2.465   5.656   1.703
  493   3HD2  LEU  64          3HD2      LEU  64   3.593   5.826   3.086
  494    H    LYS  65           H        LYS  65   8.817   7.548   1.521
  495    HA   LYS  65           HA       LYS  65   8.945   7.986   4.396
  496   1HB   LYS  65          HB2       LYS  65  11.004   7.865   2.172
  497   2HB   LYS  65          HB3       LYS  65  11.472   8.559   3.715
  498   1HG   LYS  65          HG2       LYS  65  10.701   6.539   4.901
  499   2HG   LYS  65          HG3       LYS  65  10.236   5.797   3.368
  500   1HD   LYS  65          HD2       LYS  65  12.482   5.598   2.626
  501   2HD   LYS  65          HD3       LYS  65  13.085   6.708   3.863
  502   1HE   LYS  65          HE2       LYS  65  13.678   4.399   4.438
  503   2HE   LYS  65          HE3       LYS  65  12.634   5.170   5.635
  504   1HZ   LYS  65          HZ1       LYS  65  10.750   4.014   4.677
  505   2HZ   LYS  65          HZ2       LYS  65  11.718   3.241   3.596
  506   3HZ   LYS  65          HZ3       LYS  65  11.874   2.931   5.192
  507    H    SER  66           H        SER  66   9.219  10.052   1.519
  508    HA   SER  66           HA       SER  66   9.462  12.533   3.077
  509   1HB   SER  66          HB2       SER  66   8.861  13.632   0.888
  510   2HB   SER  66          HB3       SER  66  10.353  12.707   0.912
  511    HG   SER  66           HG       SER  66   9.281  11.038  -0.189
  512    HA   PRO  67           HA       PRO  67   5.370  11.632   4.371
  513   1HB   PRO  67          HB2       PRO  67   5.172  14.554   5.192
  514   2HB   PRO  67          HB3       PRO  67   4.776  13.090   6.152
  515   1HG   PRO  67          HG2       PRO  67   7.108  14.382   6.576
  516   2HG   PRO  67          HG3       PRO  67   7.090  12.587   6.468
  517   1HD   PRO  67          HD2       PRO  67   7.815  14.577   4.287
  518   2HD   PRO  67          HD3       PRO  67   8.684  13.104   4.833
  519    H    SER  68           H        SER  68   3.215  11.823   4.080
  520    HA   SER  68           HA       SER  68   2.136  12.334   1.656
  521   1HB   SER  68          HB2       SER  68   0.631  12.320   4.270
  522   2HB   SER  68          HB3       SER  68   0.077  11.739   2.683
  523    HG   SER  68           HG       SER  68   0.800  10.173   4.287
  524    H    SER  69           H        SER  69   3.067  14.918   3.414
  525    HA   SER  69           HA       SER  69   0.702  16.630   2.927
  526   1HB   SER  69          HB2       SER  69   1.780  17.163   4.966
  527   2HB   SER  69          HB3       SER  69   3.379  17.261   4.217
  528    HG   SER  69           HG       SER  69   1.175  19.017   3.934
  529    HA   PRO  70           HA       PRO  70   3.327  18.247  -0.666
  530   1HB   PRO  70          HB2       PRO  70   5.888  17.363  -1.121
  531   2HB   PRO  70          HB3       PRO  70   5.495  18.822  -0.150
  532   1HG   PRO  70          HG2       PRO  70   6.090  16.018   0.832
  533   2HG   PRO  70          HG3       PRO  70   6.759  17.566   1.425
  534   1HD   PRO  70          HD2       PRO  70   4.679  16.385   2.708
  535   2HD   PRO  70          HD3       PRO  70   4.731  18.151   2.496
  536    H    GLN  71           H        GLN  71   3.823  14.898   0.376
  537    HA   GLN  71           HA       GLN  71   3.819  13.871  -2.349
  538   1HB   GLN  71          HB2       GLN  71   3.999  12.532   0.394
  539   2HB   GLN  71          HB3       GLN  71   4.096  11.663  -1.132
  540   1HG   GLN  71          HG2       GLN  71   5.957  13.911  -0.242
  541   2HG   GLN  71          HG3       GLN  71   6.308  12.183  -0.235
  542   1HE2  GLN  71          2HE2      GLN  71   6.446  11.034  -2.169
  543   2HE2  GLN  71          1HE2      GLN  71   7.002  11.890  -3.647
  544    H    GLN  72           H        GLN  72   1.277  15.005  -0.841
  545    HA   GLN  72           HA       GLN  72  -0.671  13.076  -0.532
  546   1HB   GLN  72          HB2       GLN  72  -2.227  14.930  -0.560
  547   2HB   GLN  72          HB3       GLN  72  -0.748  15.457   0.209
  548   1HG   GLN  72          HG2       GLN  72  -0.044  16.562  -1.922
  549   2HG   GLN  72          HG3       GLN  72  -1.586  16.115  -2.671
  550   1HE2  GLN  72          2HE2      GLN  72  -0.180  17.945   0.098
  551   2HE2  GLN  72          1HE2      GLN  72  -1.564  19.068   0.151
  552    H    GLN  73           H        GLN  73   0.633  13.156  -3.501
  553    HA   GLN  73           HA       GLN  73  -1.948  12.688  -4.870
  554   1HB   GLN  73          HB2       GLN  73  -1.630  14.256  -6.630
  555   2HB   GLN  73          HB3       GLN  73  -1.589  15.077  -5.083
  556   1HG   GLN  73          HG2       GLN  73   0.955  14.319  -6.610
  557   2HG   GLN  73          HG3       GLN  73   0.093  15.818  -6.884
  558   1HE2  GLN  73          2HE2      GLN  73   2.443  14.312  -4.859
  559   2HE2  GLN  73          1HE2      GLN  73   2.556  15.680  -3.739
  560    H    GLN  74           H        GLN  74  -1.304  12.620  -7.395
  561    HA   GLN  74           HA       GLN  74  -0.963   9.952  -7.781
  562   1HB   GLN  74          HB2       GLN  74  -0.609  12.238  -9.747
  563   2HB   GLN  74          HB3       GLN  74  -0.883  10.560 -10.195
  564   1HG   GLN  74          HG2       GLN  74  -2.870  12.240  -8.570
  565   2HG   GLN  74          HG3       GLN  74  -2.969  11.913 -10.294
  566   1HE2  GLN  74          2HE2      GLN  74  -4.781  10.943  -7.750
  567   2HE2  GLN  74          1HE2      GLN  74  -4.808   9.255  -8.186
  568    H    GLN  75           H        GLN  75   1.877  11.758  -7.132
  569    HA   GLN  75           HA       GLN  75   3.606  10.139  -8.872
  570   1HB   GLN  75          HB2       GLN  75   5.410  11.213  -8.019
  571   2HB   GLN  75          HB3       GLN  75   4.189  12.455  -7.887
  572   1HG   GLN  75          HG2       GLN  75   5.355  10.737  -5.668
  573   2HG   GLN  75          HG3       GLN  75   5.581  12.467  -5.902
  574   1HE2  GLN  75          2HE2      GLN  75   4.370  10.764  -3.620
  575   2HE2  GLN  75          1HE2      GLN  75   2.787  11.450  -3.376
  576    H    VAL  76           H        VAL  76   2.060   9.569  -5.772
  577    HA   VAL  76           HA       VAL  76   3.707   7.184  -5.239
  578    HB   VAL  76           HB       VAL  76   0.812   7.360  -4.394
  579   1HG1  VAL  76          1HG1      VAL  76   3.292   6.369  -2.955
  580   2HG1  VAL  76          2HG1      VAL  76   1.609   6.125  -2.472
  581   3HG1  VAL  76          3HG1      VAL  76   2.224   5.342  -3.951
  582   1HG2  VAL  76          1HG2      VAL  76   1.417   8.403  -2.285
  583   2HG2  VAL  76          2HG2      VAL  76   3.026   8.820  -2.935
  584   3HG2  VAL  76          3HG2      VAL  76   1.526   9.502  -3.666
  585    H    LEU  77           H        LEU  77   0.560   7.868  -6.774
  586    HA   LEU  77           HA       LEU  77  -0.037   5.209  -7.314
  587   1HB   LEU  77          HB2       LEU  77  -1.419   7.521  -7.352
  588   2HB   LEU  77          HB3       LEU  77  -1.246   7.280  -9.096
  589    HG   LEU  77           HG       LEU  77  -2.298   5.170  -7.129
  590   1HD1  LEU  77          1HD1      LEU  77  -3.746   7.189  -7.175
  591   2HD1  LEU  77          2HD1      LEU  77  -3.956   6.970  -8.936
  592   3HD1  LEU  77          3HD1      LEU  77  -4.530   5.734  -7.803
  593   1HD2  LEU  77          1HD2      LEU  77  -2.405   5.325 -10.159
  594   2HD2  LEU  77          2HD2      LEU  77  -1.558   4.099  -9.173
  595   3HD2  LEU  77          3HD2      LEU  77  -3.322   4.161  -9.179
  596    H    ASN  78           H        ASN  78   1.595   7.645  -9.319
  597    HA   ASN  78           HA       ASN  78   1.985   6.153 -11.679
  598   1HB   ASN  78          HB2       ASN  78   2.436   8.576 -11.443
  599   2HB   ASN  78          HB3       ASN  78   3.772   8.243 -10.345
  600   1HD2  ASN  78          2HD2      ASN  78   5.727   8.567 -11.417
  601   2HD2  ASN  78          1HD2      ASN  78   5.956   8.075 -13.100
  602    H    ILE  79           H        ILE  79   4.041   6.091  -8.636
  603    HA   ILE  79           HA       ILE  79   5.829   4.198  -9.995
  604    HB   ILE  79           HB       ILE  79   5.843   5.005  -7.097
  605   1HG1  ILE  79          2HG1      ILE  79   7.845   5.849  -9.224
  606   2HG1  ILE  79          3HG1      ILE  79   6.359   6.800  -9.005
  607   1HG2  ILE  79          1HG2      ILE  79   6.927   2.804  -7.544
  608   2HG2  ILE  79          2HG2      ILE  79   7.848   3.502  -8.881
  609   3HG2  ILE  79          3HG2      ILE  79   8.182   4.024  -7.227
  610   1HD1  ILE  79          1HD1      ILE  79   6.937   7.122  -6.607
  611   2HD1  ILE  79          2HD1      ILE  79   8.470   6.266  -6.892
  612   3HD1  ILE  79          3HD1      ILE  79   8.133   7.800  -7.727
  613    H    LEU  80           H        LEU  80   3.269   4.034  -7.519
  614    HA   LEU  80           HA       LEU  80   3.073   1.380  -6.819
  615   1HB   LEU  80          HB2       LEU  80   1.102   3.548  -7.465
  616   2HB   LEU  80          HB3       LEU  80   0.441   1.968  -7.207
  617    HG   LEU  80           HG       LEU  80   2.183   3.260  -5.075
  618   1HD1  LEU  80          1HD1      LEU  80  -0.848   3.459  -5.467
  619   2HD1  LEU  80          2HD1      LEU  80  -0.007   3.773  -3.931
  620   3HD1  LEU  80          3HD1      LEU  80   0.305   4.811  -5.291
  621   1HD2  LEU  80          1HD2      LEU  80  -0.069   1.217  -5.010
  622   2HD2  LEU  80          2HD2      LEU  80   1.652   0.770  -5.070
  623   3HD2  LEU  80          3HD2      LEU  80   1.040   1.687  -3.672
  624    H    LYS  81           H        LYS  81   1.428   2.754  -9.728
  625    HA   LYS  81           HA       LYS  81   0.600   0.198 -10.665
  626   1HB   LYS  81          HB2       LYS  81  -0.256   1.304 -12.606
  627   2HB   LYS  81          HB3       LYS  81  -0.565   2.251 -11.183
  628   1HG   LYS  81          HG2       LYS  81  -0.019   3.848 -12.717
  629   2HG   LYS  81          HG3       LYS  81   1.498   3.675 -11.827
  630   1HD   LYS  81          HD2       LYS  81   2.416   2.279 -13.631
  631   2HD   LYS  81          HD3       LYS  81   0.856   2.369 -14.502
  632   1HE   LYS  81          HE2       LYS  81   1.950   4.057 -15.595
  633   2HE   LYS  81          HE3       LYS  81   1.205   4.956 -14.286
  634   1HZ   LYS  81          HZ1       LYS  81   3.408   4.526 -13.084
  635   2HZ   LYS  81          HZ2       LYS  81   4.035   4.129 -14.537
  636   3HZ   LYS  81          HZ3       LYS  81   3.433   5.639 -14.222
  637    H    SER  82           H        SER  82   3.773   1.314 -10.775
  638    HA   SER  82           HA       SER  82   4.455  -0.287 -13.192
  639   1HB   SER  82          HB2       SER  82   6.669   0.546 -12.935
  640   2HB   SER  82          HB3       SER  82   5.607   1.952 -12.640
  641    HG   SER  82           HG       SER  82   5.941   1.475 -10.347
  642    H    ASN  83           H        ASN  83   3.879  -0.975  -9.987
  643    HA   ASN  83           HA       ASN  83   5.544  -3.476 -10.073
  644   1HB   ASN  83          HB2       ASN  83   5.236  -1.329  -7.939
  645   2HB   ASN  83          HB3       ASN  83   5.516  -3.038  -7.532
  646   1HD2  ASN  83          2HD2      ASN  83   7.205  -1.946 -10.489
  647   2HD2  ASN  83          1HD2      ASN  83   8.707  -2.224  -9.601
  648    HA   PRO  84           HA       PRO  84   0.896  -3.742  -9.973
  649   1HB   PRO  84          HB2       PRO  84   0.685  -6.225 -11.268
  650   2HB   PRO  84          HB3       PRO  84   0.661  -4.601 -12.025
  651   1HG   PRO  84          HG2       PRO  84   3.032  -6.458 -11.707
  652   2HG   PRO  84          HG3       PRO  84   2.545  -5.501 -13.146
  653   1HD   PRO  84          HD2       PRO  84   4.479  -4.625 -11.544
  654   2HD   PRO  84          HD3       PRO  84   3.249  -3.469 -12.137
  655    H    GLN  85           H        GLN  85   3.101  -6.343  -8.952
  656    HA   GLN  85           HA       GLN  85   1.214  -7.619  -7.219
  657   1HB   GLN  85          HB2       GLN  85   4.224  -7.628  -6.785
  658   2HB   GLN  85          HB3       GLN  85   3.029  -8.825  -6.306
  659   1HG   GLN  85          HG2       GLN  85   4.076  -8.235  -9.099
  660   2HG   GLN  85          HG3       GLN  85   4.253  -9.725  -8.167
  661   1HE2  GLN  85          2HE2      GLN  85   2.116 -11.044  -7.795
  662   2HE2  GLN  85          1HE2      GLN  85   0.934 -10.827  -9.092
  663    H    LEU  86           H        LEU  86   3.555  -4.996  -6.633
  664    HA   LEU  86           HA       LEU  86   2.905  -4.631  -3.802
  665   1HB   LEU  86          HB2       LEU  86   5.067  -3.939  -4.769
  666   2HB   LEU  86          HB3       LEU  86   4.250  -2.767  -5.796
  667    HG   LEU  86           HG       LEU  86   5.462  -1.890  -3.813
  668   1HD1  LEU  86          1HD1      LEU  86   3.943  -0.127  -3.287
  669   2HD1  LEU  86          2HD1      LEU  86   2.548  -1.044  -3.850
  670   3HD1  LEU  86          3HD1      LEU  86   3.818  -0.526  -4.999
  671   1HD2  LEU  86          1HD2      LEU  86   3.105  -2.968  -2.212
  672   2HD2  LEU  86          2HD2      LEU  86   4.830  -3.418  -2.034
  673   3HD2  LEU  86          3HD2      LEU  86   4.258  -1.791  -1.625
  674    H    MET  87           H        MET  87   1.762  -3.285  -6.921
  675    HA   MET  87           HA       MET  87   0.040  -1.359  -5.838
  676   1HB   MET  87          HB2       MET  87   0.732  -1.961  -8.363
  677   2HB   MET  87          HB3       MET  87  -0.811  -2.839  -8.320
  678   1HG   MET  87          HG2       MET  87  -1.663  -0.590  -7.199
  679   2HG   MET  87          HG3       MET  87  -0.239   0.083  -8.021
  680   1HE   MET  87          HE1       MET  87  -1.811   1.776  -8.974
  681   2HE   MET  87          HE2       MET  87  -3.243   1.420  -9.975
  682   3HE   MET  87          HE3       MET  87  -3.219   0.983  -8.247
  683    H    ALA  88           H        ALA  88  -0.777  -4.774  -6.737
  684    HA   ALA  88           HA       ALA  88  -3.390  -4.786  -5.640
  685   1HB   ALA  88          HB1       ALA  88  -2.505  -6.494  -7.182
  686   2HB   ALA  88          HB2       ALA  88  -1.368  -7.055  -5.933
  687   3HB   ALA  88          HB3       ALA  88  -3.121  -7.232  -5.693
  688    H    ALA  89           H        ALA  89  -0.246  -5.679  -4.040
  689    HA   ALA  89           HA       ALA  89  -1.419  -6.235  -1.526
  690   1HB   ALA  89          HB1       ALA  89   1.380  -5.182  -2.148
  691   2HB   ALA  89          HB2       ALA  89   0.857  -5.998  -0.664
  692   3HB   ALA  89          HB3       ALA  89   0.888  -6.884  -2.216
  693    H    PHE  90           H        PHE  90  -0.203  -3.075  -2.786
  694    HA   PHE  90           HA       PHE  90  -0.779  -1.483  -0.530
  695   1HB   PHE  90          HB2       PHE  90   0.430  -0.537  -2.339
  696   2HB   PHE  90          HB3       PHE  90  -0.816  -0.899  -3.505
  697    HD1  PHE  90           HD1      PHE  90  -0.006   1.301  -0.599
  698    HD2  PHE  90           HD2      PHE  90  -2.670   0.641  -3.917
  699    HE1  PHE  90           HE1      PHE  90  -0.801   3.619  -0.421
  700    HE2  PHE  90           HE2      PHE  90  -3.596   2.913  -3.594
  701    HZ   PHE  90           HZ       PHE  90  -2.598   4.441  -1.883
  702    H    ILE  91           H        ILE  91  -2.902  -2.170  -3.374
  703    HA   ILE  91           HA       ILE  91  -5.223  -0.910  -2.407
  704    HB   ILE  91           HB       ILE  91  -4.887  -3.300  -4.249
  705   1HG1  ILE  91          2HG1      ILE  91  -5.744  -0.425  -4.839
  706   2HG1  ILE  91          3HG1      ILE  91  -4.065  -0.940  -4.889
  707   1HG2  ILE  91          1HG2      ILE  91  -7.179  -3.458  -3.286
  708   2HG2  ILE  91          2HG2      ILE  91  -7.441  -1.743  -3.645
  709   3HG2  ILE  91          3HG2      ILE  91  -7.264  -2.931  -4.955
  710   1HD1  ILE  91          1HD1      ILE  91  -4.668  -2.654  -6.637
  711   2HD1  ILE  91          2HD1      ILE  91  -6.289  -1.932  -6.706
  712   3HD1  ILE  91          3HD1      ILE  91  -4.873  -0.965  -7.135
  713    H    LYS  92           H        LYS  92  -4.343  -4.361  -1.990
  714    HA   LYS  92           HA       LYS  92  -6.567  -4.930  -0.328
  715   1HB   LYS  92          HB2       LYS  92  -5.233  -6.604  -1.606
  716   2HB   LYS  92          HB3       LYS  92  -3.872  -6.368  -0.505
  717   1HG   LYS  92          HG2       LYS  92  -5.133  -8.365   0.061
  718   2HG   LYS  92          HG3       LYS  92  -5.264  -7.178   1.387
  719   1HD   LYS  92          HD2       LYS  92  -7.510  -6.521   0.627
  720   2HD   LYS  92          HD3       LYS  92  -7.318  -7.474  -0.844
  721   1HE   LYS  92          HE2       LYS  92  -7.229  -9.526   0.696
  722   2HE   LYS  92          HE3       LYS  92  -7.718  -8.443   2.004
  723   1HZ   LYS  92          HZ1       LYS  92  -9.769  -9.171   1.124
  724   2HZ   LYS  92          HZ2       LYS  92  -9.568  -7.787   0.315
  725   3HZ   LYS  92          HZ3       LYS  92  -9.204  -9.232  -0.389
  726    H    GLN  93           H        GLN  93  -3.136  -4.363   0.670
  727    HA   GLN  93           HA       GLN  93  -3.788  -4.623   3.425
  728   1HB   GLN  93          HB3       GLN  93  -1.588  -5.162   2.685
  729   2HB   GLN  93          HB2       GLN  93  -1.322  -3.535   2.040
  730   1HG   GLN  93          HG2       GLN  93  -0.111  -3.921   4.152
  731   2HG   GLN  93          HG3       GLN  93  -1.194  -2.530   4.149
  732   1HE2  GLN  93          1HE2      GLN  93  -1.906  -2.265   6.240
  733   2HE2  GLN  93          2HE2      GLN  93  -2.329  -3.614   7.296
  734    H    ARG  94           H        ARG  94  -3.686  -1.665   1.291
  735    HA   ARG  94           HA       ARG  94  -3.974   0.229   3.440
  736   1HB   ARG  94          HB2       ARG  94  -5.015   0.245   0.608
  737   2HB   ARG  94          HB3       ARG  94  -5.259   1.575   1.729
  738   1HG   ARG  94          HG2       ARG  94  -2.517   0.595   0.855
  739   2HG   ARG  94          HG3       ARG  94  -3.428   1.928   0.126
  740   1HD   ARG  94          HD2       ARG  94  -2.346   1.749   2.959
  741   2HD   ARG  94          HD3       ARG  94  -1.706   2.728   1.624
  742    HE   ARG  94           HE       ARG  94  -4.241   3.671   1.808
  743   1HH1  ARG  94          1HH1      ARG  94  -1.467   3.666   3.926
  744   2HH1  ARG  94          2HH1      ARG  94  -2.235   4.736   5.091
  745   1HH2  ARG  94          1HH2      ARG  94  -4.918   5.311   3.168
  746   2HH2  ARG  94          2HH2      ARG  94  -4.006   5.700   4.644
  747    H    THR  95           H        THR  95  -6.300  -1.781   1.586
  748    HA   THR  95           HA       THR  95  -8.675  -0.860   2.886
  749    HB   THR  95           HB       THR  95  -8.472  -3.741   1.941
  750    HG1  THR  95           HG1      THR  95  -7.679  -2.389   0.162
  751   1HG2  THR  95          1HG2      THR  95 -10.810  -3.357   1.428
  752   2HG2  THR  95          2HG2      THR  95 -10.550  -2.654   3.036
  753   3HG2  THR  95          3HG2      THR  95 -10.587  -1.598   1.616
  754    H    ALA  96           H        ALA  96  -6.573  -3.659   3.651
  755    HA   ALA  96           HA       ALA  96  -7.767  -4.501   6.056
  756   1HB   ALA  96          HB1       ALA  96  -4.777  -4.474   5.521
  757   2HB   ALA  96          HB2       ALA  96  -5.732  -5.581   6.527
  758   3HB   ALA  96          HB3       ALA  96  -5.895  -5.627   4.773
  759    H    LYS  97           H        LYS  97  -5.185  -2.049   5.629
  760    HA   LYS  97           HA       LYS  97  -4.936  -1.169   8.295
  761   1HB   LYS  97          HB2       LYS  97  -3.335   0.053   7.407
  762   2HB   LYS  97          HB3       LYS  97  -3.824  -0.494   5.820
  763   1HG   LYS  97          HG2       LYS  97  -3.748   1.769   5.482
  764   2HG   LYS  97          HG3       LYS  97  -5.450   1.564   5.822
  765   1HD   LYS  97          HD2       LYS  97  -4.685   1.973   8.328
  766   2HD   LYS  97          HD3       LYS  97  -3.249   2.678   7.571
  767   1HE   LYS  97          HE2       LYS  97  -4.674   4.277   6.322
  768   2HE   LYS  97          HE3       LYS  97  -6.130   3.479   6.934
  769   1HZ   LYS  97          HZ1       LYS  97  -5.293   4.105   9.204
  770   2HZ   LYS  97          HZ2       LYS  97  -4.201   5.068   8.519
  771   3HZ   LYS  97          HZ3       LYS  97  -5.778   5.359   8.283
  772    H    TYR  98           H        TYR  98  -7.282  -0.013   5.846
  773    HA   TYR  98           HA       TYR  98  -8.503   1.875   7.642
  774   1HB   TYR  98          HB2       TYR  98  -9.550   0.418   5.204
  775   2HB   TYR  98          HB3       TYR  98 -10.569   1.472   6.191
  776    HD1  TYR  98           HD1      TYR  98  -9.365   3.800   6.817
  777    HD2  TYR  98           HD2      TYR  98  -8.606   1.388   3.342
  778    HE1  TYR  98           HE1      TYR  98  -8.563   5.807   5.599
  779    HE2  TYR  98           HE2      TYR  98  -8.056   3.384   2.025
  780    HH   TYR  98           HH       TYR  98  -7.137   5.791   2.558
  781    H    VAL  99           H        VAL  99  -9.708  -1.478   6.875
  782    HA   VAL  99           HA       VAL  99 -11.665  -1.336   8.909
  783    HB   VAL  99           HB       VAL  99 -11.972  -3.723   8.741
  784   1HG1  VAL  99          1HG1      VAL  99 -12.826  -2.149   6.981
  785   2HG1  VAL  99          2HG1      VAL  99 -11.387  -2.492   6.004
  786   3HG1  VAL  99          3HG1      VAL  99 -12.550  -3.788   6.378
  787   1HG2  VAL  99          1HG2      VAL  99 -10.606  -5.146   7.314
  788   2HG2  VAL  99          2HG2      VAL  99  -9.501  -3.775   7.004
  789   3HG2  VAL  99          3HG2      VAL  99  -9.630  -4.498   8.624
  790    H    ALA 100           H        ALA 100  -8.257  -2.193   9.302
  791    HA   ALA 100           HA       ALA 100  -8.716  -2.993  12.079
  792   1HB   ALA 100          HB1       ALA 100  -6.300  -3.489  12.050
  793   2HB   ALA 100          HB2       ALA 100  -7.117  -4.175  10.626
  794   3HB   ALA 100          HB3       ALA 100  -6.139  -2.699  10.469
  795    H    ASN 101           H        ASN 101  -7.770   0.053  10.589
  796    HA   ASN 101           HA       ASN 101  -7.234   1.143  13.324
  797   1HB   ASN 101          HB2       ASN 101  -5.075   0.888  12.623
  798   2HB   ASN 101          HB3       ASN 101  -5.459   1.055  10.920
  799   1HD2  ASN 101          2HD2      ASN 101  -4.817   2.963  13.888
  800   2HD2  ASN 101          1HD2      ASN 101  -4.479   4.420  12.930
  801    H    GLN 102           H        GLN 102  -8.840   1.753  10.324
  802    HA   GLN 102           HA       GLN 102 -10.131   4.089  11.506
  803   1HB   GLN 102          HB2       GLN 102  -8.547   4.299   8.924
  804   2HB   GLN 102          HB3       GLN 102  -9.914   5.365   9.299
  805   1HG   GLN 102          HG2       GLN 102  -8.755   6.136  11.359
  806   2HG   GLN 102          HG3       GLN 102  -7.360   5.147  10.930
  807   1HE2  GLN 102          2HE2      GLN 102  -8.702   8.271  10.633
  808   2HE2  GLN 102          1HE2      GLN 102  -7.691   8.747   9.252
  809    HA   PRO 103           HA       PRO 103 -12.742   1.179   9.000
  810   1HB   PRO 103          HB2       PRO 103 -14.359   0.147  10.927
  811   2HB   PRO 103          HB3       PRO 103 -12.682  -0.417  10.694
  812   1HG   PRO 103          HG2       PRO 103 -13.684   1.670  12.660
  813   2HG   PRO 103          HG3       PRO 103 -12.672   0.226  13.017
  814   1HD   PRO 103          HD2       PRO 103 -11.566   2.688  12.616
  815   2HD   PRO 103          HD3       PRO 103 -10.774   1.206  12.014
  816    H    GLY 104           H        GLY 104 -15.148   1.177   8.752
  817   1HA   GLY 104          HA2       GLY 104 -16.615   3.568   9.794
  818   2HA   GLY 104          HA3       GLY 104 -16.531   3.349   8.043
  819    H    MET 105           H        MET 105 -17.933   1.833   7.066
  820    HA   MET 105           HA       MET 105 -19.949   0.509   8.699
  821   1HB   MET 105          HB2       MET 105 -20.842  -0.255   6.575
  822   2HB   MET 105          HB3       MET 105 -20.549   1.469   6.522
  823   1HG   MET 105          HG2       MET 105 -18.688  -0.641   5.349
  824   2HG   MET 105          HG3       MET 105 -19.930   0.186   4.442
  825   1HE   MET 105          HE1       MET 105 -19.774   2.464   3.383
  826   2HE   MET 105          HE2       MET 105 -19.890   3.168   5.004
  827   3HE   MET 105          HE3       MET 105 -18.642   3.740   3.869
  828    H    GLN 106           H        GLN 106 -16.808  -0.262   7.625
  829    HA   GLN 106           HA       GLN 106 -16.755  -2.869   8.889
  830   1HB   GLN 106          HB2       GLN 106 -15.782  -2.385   6.038
  831   2HB   GLN 106          HB3       GLN 106 -15.383  -3.788   7.017
  832   1HG   GLN 106          HG2       GLN 106 -18.200  -3.068   6.104
  833   2HG   GLN 106          HG3       GLN 106 -17.138  -4.226   5.309
  834   1HE2  GLN 106          2HE2      GLN 106 -19.063  -3.686   8.250
  835   2HE2  GLN 106          1HE2      GLN 106 -19.051  -5.417   8.691
  Start of MODEL    7
    1   1H    GLU   1          H1        GLU   1  16.688 -10.867  -8.208
    2   2H    GLU   1          H2        GLU   1  15.952  -9.413  -7.970
    3   3H    GLU   1          H3        GLU   1  16.004 -10.493  -6.747
    4    HA   GLU   1           HA       GLU   1  13.863 -10.582  -7.483
    5   1HB   GLU   1          HB2       GLU   1  14.834 -11.155 -10.312
    6   2HB   GLU   1          HB3       GLU   1  13.182 -10.895  -9.735
    7   1HG   GLU   1          HG2       GLU   1  14.058  -8.514  -9.049
    8   2HG   GLU   1          HG3       GLU   1  15.478  -8.900  -9.980
    9    H    GLY   2           H        GLY   2  14.323 -12.319  -5.957
   10   1HA   GLY   2          HA2       GLY   2  14.558 -15.020  -7.198
   11   2HA   GLY   2          HA3       GLY   2  15.383 -14.551  -5.717
   12    H    GLN   3           H        GLN   3  12.416 -13.054  -5.914
   13    HA   GLN   3           HA       GLN   3  10.477 -13.084  -4.952
   14   1HB   GLN   3          HB2       GLN   3  10.479 -15.587  -6.059
   15   2HB   GLN   3          HB3       GLN   3  10.117 -15.962  -4.400
   16   1HG   GLN   3          HG2       GLN   3   8.672 -13.872  -6.118
   17   2HG   GLN   3          HG3       GLN   3   8.104 -15.521  -5.849
   18   1HE2  GLN   3          2HE2      GLN   3   7.229 -12.537  -4.981
   19   2HE2  GLN   3          1HE2      GLN   3   6.759 -12.917  -3.314
   20    H    SER   4           H        SER   4  12.791 -15.146  -3.252
   21    HA   SER   4           HA       SER   4  11.855 -14.668  -0.563
   22   1HB   SER   4          HB2       SER   4  13.451 -16.449  -1.203
   23   2HB   SER   4          HB3       SER   4  14.681 -15.200  -1.526
   24    HG   SER   4           HG       SER   4  14.064 -14.489   0.727
   25    H    ASP   5           H        ASP   5  13.391 -12.449  -2.796
   26    HA   ASP   5           HA       ASP   5  14.264 -10.575  -0.714
   27   1HB   ASP   5          HB2       ASP   5  15.233  -9.413  -2.728
   28   2HB   ASP   5          HB3       ASP   5  15.933 -10.994  -2.418
   29    H    GLU   6           H        GLU   6  12.278 -10.978  -3.587
   30    HA   GLU   6           HA       GLU   6  10.792  -8.699  -3.690
   31   1HB   GLU   6          HB2       GLU   6  10.811 -10.835  -5.138
   32   2HB   GLU   6          HB3       GLU   6   9.589 -11.453  -4.031
   33   1HG   GLU   6          HG2       GLU   6   8.058  -9.622  -4.606
   34   2HG   GLU   6          HG3       GLU   6   9.240  -8.968  -5.738
   35    H    ARG   7           H        ARG   7   9.912 -11.612  -1.764
   36    HA   ARG   7           HA       ARG   7   7.512 -10.402  -0.776
   37   1HB   ARG   7          HB2       ARG   7   7.720 -12.818  -0.752
   38   2HB   ARG   7          HB3       ARG   7   9.159 -12.747   0.271
   39   1HG   ARG   7          HG2       ARG   7   7.250 -13.443   1.591
   40   2HG   ARG   7          HG3       ARG   7   7.883 -11.897   2.146
   41   1HD   ARG   7          HD2       ARG   7   5.985 -10.857   0.654
   42   2HD   ARG   7          HD3       ARG   7   5.296 -12.476   0.650
   43    HE   ARG   7           HE       ARG   7   5.301 -10.511   2.788
   44   1HH1  ARG   7          2HH2      ARG   7   4.926 -13.957   2.300
   45   2HH1  ARG   7          1HH2      ARG   7   4.521 -14.237   3.982
   46   1HH2  ARG   7          1HH1      ARG   7   5.179 -10.965   4.855
   47   2HH2  ARG   7          2HH1      ARG   7   4.551 -12.470   5.478
   48    H    ALA   8           H        ALA   8  10.799 -10.487   0.534
   49    HA   ALA   8           HA       ALA   8  10.131  -9.106   2.980
   50   1HB   ALA   8          HB1       ALA   8  12.783  -9.373   1.468
   51   2HB   ALA   8          HB2       ALA   8  12.587  -8.838   3.162
   52   3HB   ALA   8          HB3       ALA   8  12.163 -10.500   2.691
   53    H    LEU   9           H        LEU   9  11.293  -7.838  -0.257
   54    HA   LEU   9           HA       LEU   9  11.212  -5.199   0.918
   55   1HB   LEU   9          HB2       LEU   9  12.469  -4.515  -0.642
   56   2HB   LEU   9          HB3       LEU   9  12.717  -6.194  -1.046
   57    HG   LEU   9           HG       LEU   9  12.571  -4.735  -2.951
   58   1HD1  LEU   9          1HD1      LEU   9  12.037  -7.098  -3.139
   59   2HD1  LEU   9          2HD1      LEU   9  10.298  -6.694  -2.975
   60   3HD1  LEU   9          3HD1      LEU   9  11.234  -6.112  -4.364
   61   1HD2  LEU   9          1HD2      LEU   9  10.780  -3.133  -2.063
   62   2HD2  LEU   9          2HD2      LEU   9  10.735  -3.603  -3.768
   63   3HD2  LEU   9          3HD2      LEU   9   9.602  -4.348  -2.628
   64    H    LEU  10           H        LEU  10   8.883  -7.125  -0.891
   65    HA   LEU  10           HA       LEU  10   6.900  -5.128  -1.331
   66   1HB   LEU  10          HB2       LEU  10   6.988  -7.309  -2.421
   67   2HB   LEU  10          HB3       LEU  10   6.850  -8.136  -0.857
   68    HG   LEU  10           HG       LEU  10   4.536  -7.470  -0.644
   69   1HD1  LEU  10          1HD1      LEU  10   4.497  -5.300  -1.756
   70   2HD1  LEU  10          2HD1      LEU  10   4.980  -6.049  -3.313
   71   3HD1  LEU  10          3HD1      LEU  10   3.391  -6.386  -2.616
   72   1HD2  LEU  10          1HD2      LEU  10   5.120  -9.508  -1.971
   73   2HD2  LEU  10          2HD2      LEU  10   3.655  -8.736  -2.600
   74   3HD2  LEU  10          3HD2      LEU  10   5.218  -8.509  -3.438
   75    H    ASP  11           H        ASP  11   7.436  -7.420   1.420
   76    HA   ASP  11           HA       ASP  11   5.529  -6.238   3.160
   77   1HB   ASP  11          HB2       ASP  11   8.001  -7.918   3.621
   78   2HB   ASP  11          HB3       ASP  11   7.130  -7.220   4.962
   79    H    GLN  12           H        GLN  12   9.075  -5.475   3.047
   80    HA   GLN  12           HA       GLN  12   8.651  -3.423   4.960
   81   1HB   GLN  12          HB2       GLN  12  10.879  -2.943   4.851
   82   2HB   GLN  12          HB3       GLN  12  10.846  -4.586   4.275
   83   1HG   GLN  12          HG2       GLN  12  12.136  -3.842   2.594
   84   2HG   GLN  12          HG3       GLN  12  10.690  -3.169   1.880
   85   1HE2  GLN  12          2HE2      GLN  12  10.237  -0.771   3.520
   86   2HE2  GLN  12          1HE2      GLN  12  11.718   0.166   3.257
   87    H    LEU  13           H        LEU  13   8.003  -3.275   1.507
   88    HA   LEU  13           HA       LEU  13   7.638  -0.354   1.675
   89   1HB   LEU  13          HB2       LEU  13   7.472  -2.401  -0.516
   90   2HB   LEU  13          HB3       LEU  13   6.481  -0.957  -0.629
   91    HG   LEU  13           HG       LEU  13   8.659  -0.822  -1.826
   92   1HD1  LEU  13          1HD1      LEU  13   9.112   1.478  -1.225
   93   2HD1  LEU  13          2HD1      LEU  13   7.368   1.191  -1.160
   94   3HD1  LEU  13          3HD1      LEU  13   8.303   1.279   0.346
   95   1HD2  LEU  13          1HD2      LEU  13   9.896  -0.529   0.940
   96   2HD2  LEU  13          2HD2      LEU  13  10.158  -1.892  -0.184
   97   3HD2  LEU  13          3HD2      LEU  13  10.719  -0.279  -0.605
   98    H    HIS  14           H        HIS  14   5.368  -3.231   1.771
   99    HA   HIS  14           HA       HIS  14   3.162  -1.292   1.963
  100   1HB   HIS  14          HB2       HIS  14   1.639  -2.993   2.367
  101   2HB   HIS  14          HB3       HIS  14   2.670  -3.489   1.051
  102    HD2  HIS  14           HD2      HIS  14   3.341  -5.968   1.166
  103    HE1  HIS  14           HE1      HIS  14   3.070  -6.608   5.359
  104    HE2  HIS  14           HE2      HIS  14   3.620  -7.691   3.131
  105    H    THR  15           H        THR  15   5.411  -2.631   4.213
  106    HA   THR  15           HA       THR  15   4.169  -1.612   6.603
  107    HB   THR  15           HB       THR  15   7.168  -1.786   6.142
  108    HG1  THR  15           HG1      THR  15   6.216  -3.811   5.624
  109   1HG2  THR  15          1HG2      THR  15   5.394  -2.101   8.610
  110   2HG2  THR  15          2HG2      THR  15   7.145  -2.451   8.559
  111   3HG2  THR  15          3HG2      THR  15   6.597  -0.808   8.307
  112    H    LEU  16           H        LEU  16   5.744   0.066   3.972
  113    HA   LEU  16           HA       LEU  16   5.935   2.630   5.510
  114   1HB   LEU  16          HB2       LEU  16   7.782   2.012   3.927
  115   2HB   LEU  16          HB3       LEU  16   6.629   1.789   2.656
  116    HG   LEU  16           HG       LEU  16   5.986   4.278   2.927
  117   1HD1  LEU  16          1HD1      LEU  16   7.844   5.723   3.713
  118   2HD1  LEU  16          2HD1      LEU  16   7.196   4.728   5.029
  119   3HD1  LEU  16          3HD1      LEU  16   8.737   4.287   4.246
  120   1HD2  LEU  16          1HD2      LEU  16   7.037   3.389   0.952
  121   2HD2  LEU  16          2HD2      LEU  16   7.832   4.897   1.388
  122   3HD2  LEU  16          3HD2      LEU  16   8.615   3.344   1.778
  123    H    LEU  17           H        LEU  17   4.605   1.417   2.523
  124    HA   LEU  17           HA       LEU  17   2.868   3.588   1.920
  125   1HB   LEU  17          HB2       LEU  17   4.169   1.705   0.522
  126   2HB   LEU  17          HB3       LEU  17   2.650   0.855   0.657
  127    HG   LEU  17           HG       LEU  17   1.536   2.785  -0.523
  128   1HD1  LEU  17          1HD1      LEU  17   4.343   3.954  -0.529
  129   2HD1  LEU  17          2HD1      LEU  17   3.064   4.429  -1.672
  130   3HD1  LEU  17          3HD1      LEU  17   2.800   4.665   0.049
  131   1HD2  LEU  17          1HD2      LEU  17   2.426   0.906  -1.842
  132   2HD2  LEU  17          2HD2      LEU  17   2.731   2.435  -2.699
  133   3HD2  LEU  17          3HD2      LEU  17   4.050   1.630  -1.827
  134    H    SER  18           H        SER  18   2.410   1.073   4.084
  135    HA   SER  18           HA       SER  18  -0.287   2.069   4.615
  136   1HB   SER  18          HB2       SER  18   0.279  -0.871   4.060
  137   2HB   SER  18          HB3       SER  18  -1.240  -0.244   4.722
  138    HG   SER  18           HG       SER  18  -0.392   1.069   2.480
  139    H    ASN  19           H        ASN  19   2.300   2.370   5.866
  140    HA   ASN  19           HA       ASN  19   2.884   0.837   8.086
  141   1HB   ASN  19          HB2       ASN  19   3.977   2.780   8.982
  142   2HB   ASN  19          HB3       ASN  19   4.160   2.842   7.234
  143   1HD2  ASN  19          1HD2      ASN  19   3.007   4.508   6.038
  144   2HD2  ASN  19          2HD2      ASN  19   2.145   5.784   6.925
  145    H    THR  20           H        THR  20   0.694   3.550   7.999
  146    HA   THR  20           HA       THR  20  -1.443   2.353   9.496
  147    HB   THR  20           HB       THR  20  -1.645   4.404  10.994
  148    HG1  THR  20           HG1      THR  20   1.081   4.667  10.263
  149   1HG2  THR  20          1HG2      THR  20  -0.502   3.353  12.811
  150   2HG2  THR  20          2HG2      THR  20  -1.064   2.064  11.721
  151   3HG2  THR  20          3HG2      THR  20   0.650   2.580  11.720
  152    H    ASP  21           H        ASP  21  -0.375   5.733   8.744
  153    HA   ASP  21           HA       ASP  21  -1.979   5.752   6.286
  154   1HB   ASP  21          HB2       ASP  21  -2.482   7.755   8.532
  155   2HB   ASP  21          HB3       ASP  21  -3.158   7.851   6.908
  156    H    ALA  22           H        ALA  22  -1.794   8.463   5.598
  157    HA   ALA  22           HA       ALA  22   0.384   9.796   6.287
  158   1HB   ALA  22          HB1       ALA  22   0.730   8.752   3.412
  159   2HB   ALA  22          HB2       ALA  22   1.770   9.848   4.337
  160   3HB   ALA  22          HB3       ALA  22   1.660   8.167   4.812
  161    H    THR  23           H        THR  23   0.206  11.785   5.256
  162    HA   THR  23           HA       THR  23  -2.405  12.823   5.113
  163    HB   THR  23           HB       THR  23  -0.549  14.262   5.632
  164    HG1  THR  23           HG1      THR  23   0.271  14.509   2.999
  165   1HG2  THR  23          1HG2      THR  23  -2.550  15.389   4.671
  166   2HG2  THR  23          2HG2      THR  23  -1.796  15.328   3.067
  167   3HG2  THR  23          3HG2      THR  23  -1.021  16.255   4.365
  168    H    GLY  24           H        GLY  24  -0.329  12.421   2.181
  169   1HA   GLY  24          HA2       GLY  24  -2.510  12.789   0.336
  170   2HA   GLY  24          HA3       GLY  24  -0.950  12.060  -0.038
  171    H    LEU  25           H        LEU  25  -1.600  10.033   2.250
  172    HA   LEU  25           HA       LEU  25  -2.562   7.950   0.591
  173   1HB   LEU  25          HB2       LEU  25  -1.252   8.187   3.022
  174   2HB   LEU  25          HB3       LEU  25  -2.691   7.420   3.519
  175    HG   LEU  25           HG       LEU  25  -2.110   5.607   1.744
  176   1HD1  LEU  25          1HD1      LEU  25   0.354   5.697   0.987
  177   2HD1  LEU  25          2HD1      LEU  25  -0.772   6.739   0.109
  178   3HD1  LEU  25          3HD1      LEU  25   0.285   7.440   1.350
  179   1HD2  LEU  25          1HD2      LEU  25   0.061   6.284   3.768
  180   2HD2  LEU  25          2HD2      LEU  25  -1.470   5.423   4.117
  181   3HD2  LEU  25          3HD2      LEU  25  -0.263   4.686   3.058
  182    H    GLU  26           H        GLU  26  -4.349  10.052   2.711
  183    HA   GLU  26           HA       GLU  26  -6.881   8.718   2.705
  184   1HB   GLU  26          HB2       GLU  26  -6.261  10.715   4.028
  185   2HB   GLU  26          HB3       GLU  26  -5.981  11.660   2.575
  186   1HG   GLU  26          HG2       GLU  26  -8.671  10.692   3.551
  187   2HG   GLU  26          HG3       GLU  26  -7.943  12.293   3.852
  188    H    GLU  27           H        GLU  27  -5.744  11.205   0.556
  189    HA   GLU  27           HA       GLU  27  -7.751  11.110  -1.444
  190   1HB   GLU  27          HB2       GLU  27  -6.475  13.087  -1.104
  191   2HB   GLU  27          HB3       GLU  27  -4.990  12.235  -0.969
  192   1HG   GLU  27          HG2       GLU  27  -4.913  13.476  -3.017
  193   2HG   GLU  27          HG3       GLU  27  -5.097  11.775  -3.462
  194    H    ILE  28           H        ILE  28  -4.435   9.645  -1.428
  195    HA   ILE  28           HA       ILE  28  -4.629   8.237  -3.870
  196    HB   ILE  28           HB       ILE  28  -3.111   7.456  -1.376
  197   1HG1  ILE  28          2HG1      ILE  28  -2.020   8.765  -3.892
  198   2HG1  ILE  28          3HG1      ILE  28  -2.703   9.786  -2.657
  199   1HG2  ILE  28          1HG2      ILE  28  -2.764   6.597  -4.297
  200   2HG2  ILE  28          2HG2      ILE  28  -1.659   6.181  -2.965
  201   3HG2  ILE  28          3HG2      ILE  28  -3.312   5.553  -2.977
  202   1HD1  ILE  28          1HD1      ILE  28  -0.360   9.682  -2.277
  203   2HD1  ILE  28          2HD1      ILE  28  -1.133   8.794  -0.961
  204   3HD1  ILE  28          3HD1      ILE  28  -0.365   7.893  -2.290
  205    H    ASP  29           H        ASP  29  -5.836   7.225  -0.546
  206    HA   ASP  29           HA       ASP  29  -6.588   4.618  -1.430
  207   1HB   ASP  29          HB2       ASP  29  -7.685   6.309   0.831
  208   2HB   ASP  29          HB3       ASP  29  -8.110   4.651   0.544
  209    H    ARG  30           H        ARG  30  -8.526   7.695  -1.051
  210    HA   ARG  30           HA       ARG  30 -10.876   6.398  -2.156
  211   1HB   ARG  30          HB2       ARG  30 -11.932   8.527  -2.218
  212   2HB   ARG  30          HB3       ARG  30 -11.089   8.283  -0.674
  213   1HG   ARG  30          HG2       ARG  30  -9.360   9.774  -1.267
  214   2HG   ARG  30          HG3       ARG  30  -9.987  10.000  -2.918
  215   1HD   ARG  30          HD2       ARG  30 -11.953  11.139  -2.139
  216   2HD   ARG  30          HD3       ARG  30 -11.698  10.531  -0.478
  217    HE   ARG  30           HE       ARG  30 -10.238  12.112   0.018
  218   1HH1  ARG  30          1HH2      ARG  30 -10.528  12.275  -3.487
  219   2HH1  ARG  30          2HH2      ARG  30  -9.185  13.410  -3.506
  220   1HH2  ARG  30          1HH1      ARG  30  -8.638  13.561  -0.255
  221   2HH2  ARG  30          2HH1      ARG  30  -8.315  14.153  -1.884
  222    H    ALA  31           H        ALA  31  -8.189   8.105  -3.771
  223    HA   ALA  31           HA       ALA  31  -9.304   8.105  -6.377
  224   1HB   ALA  31          HB1       ALA  31  -6.967   8.269  -7.111
  225   2HB   ALA  31          HB2       ALA  31  -7.252   9.326  -5.723
  226   3HB   ALA  31          HB3       ALA  31  -6.403   7.774  -5.508
  227    H    LEU  32           H        LEU  32  -8.279   5.456  -4.399
  228    HA   LEU  32           HA       LEU  32  -8.503   3.500  -6.635
  229   1HB   LEU  32          HB2       LEU  32  -6.765   3.560  -4.144
  230   2HB   LEU  32          HB3       LEU  32  -6.971   2.102  -5.115
  231    HG   LEU  32           HG       LEU  32  -6.062   4.692  -6.405
  232   1HD1  LEU  32          1HD1      LEU  32  -3.783   3.943  -6.208
  233   2HD1  LEU  32          2HD1      LEU  32  -4.477   4.184  -4.608
  234   3HD1  LEU  32          3HD1      LEU  32  -4.292   2.523  -5.246
  235   1HD2  LEU  32          1HD2      LEU  32  -6.940   2.827  -7.869
  236   2HD2  LEU  32          2HD2      LEU  32  -5.254   3.199  -8.150
  237   3HD2  LEU  32          3HD2      LEU  32  -5.699   1.766  -7.181
  238    H    GLY  33           H        GLY  33 -10.535   4.720  -4.637
  239   1HA   GLY  33          HA2       GLY  33 -12.501   4.000  -3.702
  240   2HA   GLY  33          HA3       GLY  33 -12.327   2.605  -4.753
  241    H    ILE  34           H        ILE  34  -9.897   3.104  -2.255
  242    HA   ILE  34           HA       ILE  34 -10.315   0.589  -1.070
  243    HB   ILE  34           HB       ILE  34  -9.211   2.827   0.605
  244   1HG1  ILE  34          2HG1      ILE  34  -7.982   2.994  -1.468
  245   2HG1  ILE  34          3HG1      ILE  34  -6.986   2.389  -0.154
  246   1HG2  ILE  34          1HG2      ILE  34  -9.621   0.744   1.767
  247   2HG2  ILE  34          2HG2      ILE  34  -8.700  -0.162   0.552
  248   3HG2  ILE  34          3HG2      ILE  34  -7.876   1.019   1.582
  249   1HD1  ILE  34          1HD1      ILE  34  -8.116   0.824  -2.476
  250   2HD1  ILE  34          2HD1      ILE  34  -6.438   1.348  -2.196
  251   3HD1  ILE  34          3HD1      ILE  34  -7.171   0.121  -1.116
  252    HA   PRO  35           HA       PRO  35 -13.223   2.593   2.320
  253   1HB   PRO  35          HB2       PRO  35 -14.592   4.600   0.529
  254   2HB   PRO  35          HB3       PRO  35 -14.318   4.675   2.292
  255   1HG   PRO  35          HG2       PRO  35 -12.762   6.112   0.613
  256   2HG   PRO  35          HG3       PRO  35 -12.000   5.214   1.977
  257   1HD   PRO  35          HD2       PRO  35 -12.217   4.375  -0.925
  258   2HD   PRO  35          HD3       PRO  35 -10.784   4.330   0.158
  259    H    GLU  36           H        GLU  36 -14.424   2.612  -1.088
  260    HA   GLU  36           HA       GLU  36 -16.808   1.119  -0.548
  261   1HB   GLU  36          HB2       GLU  36 -15.252   1.078  -3.168
  262   2HB   GLU  36          HB3       GLU  36 -16.961   0.755  -2.892
  263   1HG   GLU  36          HG2       GLU  36 -17.128   2.896  -3.684
  264   2HG   GLU  36          HG3       GLU  36 -16.968   3.257  -1.962
  265    H    LEU  37           H        LEU  37 -13.577   0.087  -1.591
  266    HA   LEU  37           HA       LEU  37 -14.043  -2.693  -1.740
  267   1HB   LEU  37          HB2       LEU  37 -11.582  -0.996  -1.315
  268   2HB   LEU  37          HB3       LEU  37 -11.470  -2.730  -1.474
  269    HG   LEU  37           HG       LEU  37 -12.726  -0.963  -3.630
  270   1HD1  LEU  37          1HD1      LEU  37 -10.634  -1.233  -4.850
  271   2HD1  LEU  37          2HD1      LEU  37 -10.300  -0.492  -3.289
  272   3HD1  LEU  37          3HD1      LEU  37  -9.944  -2.216  -3.533
  273   1HD2  LEU  37          1HD2      LEU  37 -12.363  -2.945  -5.059
  274   2HD2  LEU  37          2HD2      LEU  37 -11.818  -3.879  -3.665
  275   3HD2  LEU  37          3HD2      LEU  37 -13.506  -3.311  -3.771
  276    H    VAL  38           H        VAL  38 -13.227  -0.698   1.099
  277    HA   VAL  38           HA       VAL  38 -12.881  -2.685   3.094
  278    HB   VAL  38           HB       VAL  38 -13.881   0.151   3.030
  279   1HG1  VAL  38          1HG1      VAL  38 -14.203  -1.585   5.491
  280   2HG1  VAL  38          2HG1      VAL  38 -14.116   0.195   5.516
  281   3HG1  VAL  38          3HG1      VAL  38 -15.417  -0.594   4.641
  282   1HG2  VAL  38          1HG2      VAL  38 -11.476  -0.233   3.107
  283   2HG2  VAL  38          2HG2      VAL  38 -12.055   0.576   4.544
  284   3HG2  VAL  38          3HG2      VAL  38 -11.652  -1.171   4.610
  285    H    ASN  39           H        ASN  39 -15.985  -1.344   1.808
  286    HA   ASN  39           HA       ASN  39 -17.470  -3.187   3.524
  287   1HB   ASN  39          HB2       ASN  39 -18.145  -0.772   2.626
  288   2HB   ASN  39          HB3       ASN  39 -18.777  -1.686   1.258
  289   1HD2  ASN  39          2HD2      ASN  39 -19.775  -4.036   2.666
  290   2HD2  ASN  39          1HD2      ASN  39 -21.015  -3.448   3.776
  291    H    GLN  40           H        GLN  40 -16.255  -3.243   0.205
  292    HA   GLN  40           HA       GLN  40 -17.727  -5.571  -0.650
  293   1HB   GLN  40          HB2       GLN  40 -16.563  -4.080  -2.214
  294   2HB   GLN  40          HB3       GLN  40 -15.002  -4.520  -1.492
  295   1HG   GLN  40          HG2       GLN  40 -15.327  -5.585  -3.667
  296   2HG   GLN  40          HG3       GLN  40 -15.131  -6.758  -2.382
  297   1HE2  GLN  40          2HE2      GLN  40 -17.115  -7.900  -1.609
  298   2HE2  GLN  40          1HE2      GLN  40 -18.453  -8.054  -2.781
  299    H    GLY  41           H        GLY  41 -14.794  -5.236   1.318
  300   1HA   GLY  41          HA2       GLY  41 -14.274  -6.996   2.929
  301   2HA   GLY  41          HA3       GLY  41 -14.765  -8.208   1.759
  302    H    GLN  42           H        GLN  42 -12.890  -5.627   0.407
  303    HA   GLN  42           HA       GLN  42 -10.950  -7.270  -0.703
  304   1HB   GLN  42          HB2       GLN  42 -11.569  -5.110  -1.571
  305   2HB   GLN  42          HB3       GLN  42 -10.994  -4.321  -0.109
  306   1HG   GLN  42          HG2       GLN  42  -9.461  -3.895  -1.925
  307   2HG   GLN  42          HG3       GLN  42  -8.652  -4.829  -0.697
  308   1HE2  GLN  42          2HE2      GLN  42  -7.198  -6.156  -1.778
  309   2HE2  GLN  42          1HE2      GLN  42  -7.648  -7.157  -3.160
  310    H    ALA  43           H        ALA  43 -10.937  -6.069   2.556
  311    HA   ALA  43           HA       ALA  43  -8.111  -6.324   3.106
  312   1HB   ALA  43          HB1       ALA  43  -9.640  -5.005   4.516
  313   2HB   ALA  43          HB2       ALA  43 -10.598  -6.479   4.853
  314   3HB   ALA  43          HB3       ALA  43  -8.942  -6.349   5.450
  315    H    LEU  44           H        LEU  44 -10.773  -8.655   2.953
  316    HA   LEU  44           HA       LEU  44  -9.070 -10.779   4.196
  317   1HB   LEU  44          HB2       LEU  44 -12.100 -10.472   4.255
  318   2HB   LEU  44          HB3       LEU  44 -11.166 -11.738   5.036
  319    HG   LEU  44           HG       LEU  44 -11.029  -8.775   5.760
  320   1HD1  LEU  44          1HD1      LEU  44 -12.235  -9.446   7.779
  321   2HD1  LEU  44          2HD1      LEU  44 -13.183  -9.821   6.326
  322   3HD1  LEU  44          3HD1      LEU  44 -12.329 -11.121   7.200
  323   1HD2  LEU  44          1HD2      LEU  44  -8.897  -9.950   6.282
  324   2HD2  LEU  44          2HD2      LEU  44  -9.779  -9.569   7.758
  325   3HD2  LEU  44          3HD2      LEU  44  -9.794 -11.224   7.113
  326    H    GLU  45           H        GLU  45 -10.854  -9.955   1.345
  327    HA   GLU  45           HA       GLU  45 -11.293 -12.498   0.203
  328   1HB   GLU  45          HB2       GLU  45 -10.522  -9.800  -0.962
  329   2HB   GLU  45          HB3       GLU  45 -10.812 -11.190  -1.997
  330   1HG   GLU  45          HG2       GLU  45 -13.112 -11.406  -1.232
  331   2HG   GLU  45          HG3       GLU  45 -12.896 -10.094  -0.078
  332    HA   PRO  46           HA       PRO  46  -7.143 -13.993  -0.766
  333   1HB   PRO  46          HB2       PRO  46  -7.571 -15.657  -2.865
  334   2HB   PRO  46          HB3       PRO  46  -8.245 -15.983  -1.246
  335   1HG   PRO  46          HG2       PRO  46  -9.648 -14.661  -3.586
  336   2HG   PRO  46          HG3       PRO  46 -10.233 -16.041  -2.596
  337   1HD   PRO  46          HD2       PRO  46 -11.011 -13.506  -2.049
  338   2HD   PRO  46          HD3       PRO  46 -10.684 -14.683  -0.752
  339    H    LYS  47           H        LYS  47  -8.664 -11.719  -2.606
  340    HA   LYS  47           HA       LYS  47  -6.348 -10.990  -4.257
  341   1HB   LYS  47          HB2       LYS  47  -7.865 -10.493  -6.171
  342   2HB   LYS  47          HB3       LYS  47  -7.784 -12.198  -5.802
  343   1HG   LYS  47          HG2       LYS  47  -9.994 -12.284  -5.750
  344   2HG   LYS  47          HG3       LYS  47 -10.031 -11.315  -4.302
  345   1HD   LYS  47          HD2       LYS  47 -10.092 -10.259  -7.154
  346   2HD   LYS  47          HD3       LYS  47 -11.494 -10.457  -6.101
  347   1HE   LYS  47          HE2       LYS  47  -9.164  -8.553  -5.637
  348   2HE   LYS  47          HE3       LYS  47 -10.768  -8.095  -6.221
  349   1HZ   LYS  47          HZ1       LYS  47 -11.602  -9.000  -4.034
  350   2HZ   LYS  47          HZ2       LYS  47 -10.041  -9.072  -3.553
  351   3HZ   LYS  47          HZ3       LYS  47 -10.643  -7.654  -3.932
  352    HT1  PRO  48           H2       PRO  48  13.956  -6.380 -12.790
  353    HT2  PRO  48           H3       PRO  48  13.274  -6.109 -14.239
  354    HA   PRO  48           HA       PRO  48  12.141  -6.020 -11.670
  355   1HB   PRO  48          HB2       PRO  48  10.776  -3.771 -12.685
  356   2HB   PRO  48          HB3       PRO  48  12.074  -3.743 -11.474
  357   1HG   PRO  48          HG2       PRO  48  12.365  -3.443 -14.484
  358   2HG   PRO  48          HG3       PRO  48  13.046  -2.395 -13.186
  359   1HD   PRO  48          HD2       PRO  48  14.670  -4.267 -14.186
  360   2HD   PRO  48          HD3       PRO  48  14.475  -4.168 -12.417
  361    H    ASN  49           H        ASN  49  11.790  -8.078 -12.769
  362    HA   ASN  49           HA       ASN  49   9.638  -7.997 -14.845
  363   1HB   ASN  49          HB2       ASN  49  12.226  -9.621 -14.883
  364   2HB   ASN  49          HB3       ASN  49  10.937  -9.741 -16.083
  365   1HD2  ASN  49          2HD2      ASN  49  10.965  -8.296 -17.844
  366   2HD2  ASN  49          1HD2      ASN  49  12.116  -6.936 -17.866
  367    H    ARG  50           H        ARG  50  11.274  -9.912 -12.381
  368    HA   ARG  50           HA       ARG  50   8.845 -11.604 -12.035
  369   1HB   ARG  50          HB2       ARG  50  10.733 -13.054 -12.159
  370   2HB   ARG  50          HB3       ARG  50  11.779 -11.950 -11.282
  371   1HG   ARG  50          HG2       ARG  50  11.276 -13.945  -9.983
  372   2HG   ARG  50          HG3       ARG  50  10.729 -12.511  -9.155
  373   1HD   ARG  50          HD2       ARG  50   8.763 -14.016 -10.876
  374   2HD   ARG  50          HD3       ARG  50   9.267 -14.733  -9.335
  375    HE   ARG  50           HE       ARG  50   8.590 -12.420  -8.350
  376   1HH1  ARG  50          2HH2      ARG  50   6.836 -13.674 -11.137
  377   2HH1  ARG  50          1HH2      ARG  50   5.381 -12.810 -10.642
  378   1HH2  ARG  50          1HH1      ARG  50   6.721 -11.704  -7.700
  379   2HH2  ARG  50          2HH1      ARG  50   5.306 -11.606  -8.650
  380    H    SER  51           H        SER  51  11.354  -9.839 -10.210
  381    HA   SER  51           HA       SER  51   9.331  -8.973  -8.217
  382   1HB   SER  51          HB2       SER  51  12.291  -8.379  -8.050
  383   2HB   SER  51          HB3       SER  51  11.073  -8.288  -6.801
  384    HG   SER  51           HG       SER  51  10.717 -10.637  -7.320
  385    H    ILE  52           H        ILE  52   8.239  -7.318  -8.836
  386    HA   ILE  52           HA       ILE  52   9.062  -5.671 -11.076
  387    HB   ILE  52           HB       ILE  52   6.557  -5.092  -9.526
  388   1HG1  ILE  52          2HG1      ILE  52   5.320  -6.923 -10.766
  389   2HG1  ILE  52          3HG1      ILE  52   6.850  -7.764 -10.939
  390   1HG2  ILE  52          1HG2      ILE  52   5.636  -4.889 -11.836
  391   2HG2  ILE  52          2HG2      ILE  52   7.143  -3.983 -11.666
  392   3HG2  ILE  52          3HG2      ILE  52   7.145  -5.541 -12.496
  393   1HD1  ILE  52          1HD1      ILE  52   6.944  -8.198  -8.569
  394   2HD1  ILE  52          2HD1      ILE  52   5.837  -6.869  -8.190
  395   3HD1  ILE  52          3HD1      ILE  52   5.238  -8.349  -8.973
  396    H    SER  53           H        SER  53   9.287  -5.367  -7.704
  397    HA   SER  53           HA       SER  53   9.176  -2.447  -7.611
  398   1HB   SER  53          HB2       SER  53   9.021  -2.965  -5.135
  399   2HB   SER  53          HB3       SER  53   7.692  -3.562  -6.154
  400    HG   SER  53           HG       SER  53   8.651  -5.115  -4.604
  401    HA   PRO  54           HA       PRO  54  13.622  -3.330  -5.884
  402   1HB   PRO  54          HB2       PRO  54  15.422  -3.838  -7.863
  403   2HB   PRO  54          HB3       PRO  54  14.546  -5.120  -6.983
  404   1HG   PRO  54          HG2       PRO  54  13.810  -3.874  -9.650
  405   2HG   PRO  54          HG3       PRO  54  13.927  -5.628  -9.253
  406   1HD   PRO  54          HD2       PRO  54  11.581  -4.350  -9.271
  407   2HD   PRO  54          HD3       PRO  54  11.941  -5.585  -8.026
  408    H    SER  55           H        SER  55  12.439  -1.707  -8.775
  409    HA   SER  55           HA       SER  55  14.221   0.602  -8.559
  410   1HB   SER  55          HB2       SER  55  12.468   1.479 -10.240
  411   2HB   SER  55          HB3       SER  55  13.336   0.009 -10.749
  412    HG   SER  55           HG       SER  55  10.962  -0.011 -10.979
  413    H    ALA  56           H        ALA  56  10.774  -0.021  -8.018
  414    HA   ALA  56           HA       ALA  56  10.047   2.314  -6.655
  415   1HB   ALA  56          HB1       ALA  56   8.495   0.607  -7.497
  416   2HB   ALA  56          HB2       ALA  56   9.056  -0.530  -6.260
  417   3HB   ALA  56          HB3       ALA  56   8.181   0.917  -5.784
  418    H    LEU  57           H        LEU  57  11.636  -0.562  -5.341
  419    HA   LEU  57           HA       LEU  57  11.736  -0.008  -2.619
  420   1HB   LEU  57          HB2       LEU  57  12.545  -2.055  -3.687
  421   2HB   LEU  57          HB3       LEU  57  13.704  -1.146  -4.636
  422    HG   LEU  57           HG       LEU  57  15.046  -0.698  -2.588
  423   1HD1  LEU  57          1HD1      LEU  57  12.963  -2.532  -1.333
  424   2HD1  LEU  57          2HD1      LEU  57  14.547  -2.182  -0.588
  425   3HD1  LEU  57          3HD1      LEU  57  13.374  -0.875  -0.837
  426   1HD2  LEU  57          1HD2      LEU  57  15.558  -2.514  -4.132
  427   2HD2  LEU  57          2HD2      LEU  57  15.899  -3.036  -2.473
  428   3HD2  LEU  57          3HD2      LEU  57  14.437  -3.607  -3.312
  429    H    GLN  58           H        GLN  58  13.459   1.625  -5.201
  430    HA   GLN  58           HA       GLN  58  14.897   3.373  -3.277
  431   1HB   GLN  58          HB2       GLN  58  14.943   3.230  -6.325
  432   2HB   GLN  58          HB3       GLN  58  15.938   4.301  -5.357
  433   1HG   GLN  58          HG2       GLN  58  17.292   2.555  -4.555
  434   2HG   GLN  58          HG3       GLN  58  16.080   1.301  -4.824
  435   1HE2  GLN  58          2HE2      GLN  58  16.053   0.146  -6.865
  436   2HE2  GLN  58          1HE2      GLN  58  17.236   0.650  -8.075
  437    H    ASP  59           H        ASP  59  12.762   3.679  -6.131
  438    HA   ASP  59           HA       ASP  59  12.258   6.439  -5.622
  439   1HB   ASP  59          HB2       ASP  59  12.163   4.771  -7.853
  440   2HB   ASP  59          HB3       ASP  59  10.470   5.133  -7.566
  441    H    LEU  60           H        LEU  60  10.080   3.627  -5.036
  442    HA   LEU  60           HA       LEU  60   7.776   5.365  -4.506
  443   1HB   LEU  60          HB2       LEU  60   7.566   3.136  -5.505
  444   2HB   LEU  60          HB3       LEU  60   8.140   2.397  -4.000
  445    HG   LEU  60           HG       LEU  60   6.187   2.840  -2.831
  446   1HD1  LEU  60          1HD1      LEU  60   5.708   5.173  -3.341
  447   2HD1  LEU  60          2HD1      LEU  60   5.289   4.758  -5.028
  448   3HD1  LEU  60          3HD1      LEU  60   4.283   4.168  -3.699
  449   1HD2  LEU  60          1HD2      LEU  60   4.451   1.839  -4.291
  450   2HD2  LEU  60          2HD2      LEU  60   5.374   2.329  -5.731
  451   3HD2  LEU  60          3HD2      LEU  60   6.037   1.112  -4.619
  452    H    LEU  61           H        LEU  61  10.237   3.517  -2.813
  453    HA   LEU  61           HA       LEU  61   9.569   4.018  -0.114
  454   1HB   LEU  61          HB2       LEU  61  11.396   2.509  -1.090
  455   2HB   LEU  61          HB3       LEU  61  12.368   3.948  -1.293
  456    HG   LEU  61           HG       LEU  61  11.721   4.226   1.346
  457   1HD1  LEU  61          1HD1      LEU  61  11.990   1.217   0.955
  458   2HD1  LEU  61          2HD1      LEU  61  11.794   2.101   2.497
  459   3HD1  LEU  61          3HD1      LEU  61  10.454   2.034   1.342
  460   1HD2  LEU  61          1HD2      LEU  61  13.991   2.496   0.300
  461   2HD2  LEU  61          2HD2      LEU  61  13.994   4.265   0.416
  462   3HD2  LEU  61          3HD2      LEU  61  13.908   3.279   1.890
  463    H    ARG  62           H        ARG  62  11.851   6.040  -2.179
  464    HA   ARG  62           HA       ARG  62  12.090   8.267  -0.552
  465   1HB   ARG  62          HB2       ARG  62  13.395   7.724  -2.516
  466   2HB   ARG  62          HB3       ARG  62  12.013   7.801  -3.585
  467   1HG   ARG  62          HG2       ARG  62  13.178  10.131  -2.083
  468   2HG   ARG  62          HG3       ARG  62  13.629   9.642  -3.715
  469   1HD   ARG  62          HD2       ARG  62  11.084  10.976  -2.782
  470   2HD   ARG  62          HD3       ARG  62  12.187  11.468  -4.057
  471    HE   ARG  62           HE       ARG  62   9.838   9.874  -4.384
  472   1HH1  ARG  62          1HH2      ARG  62  13.090   9.859  -5.731
  473   2HH1  ARG  62          2HH2      ARG  62  12.520   8.886  -7.064
  474   1HH2  ARG  62          2HH1      ARG  62   9.233   8.929  -6.103
  475   2HH2  ARG  62          1HH1      ARG  62  10.343   8.580  -7.402
  476    H    THR  63           H        THR  63   9.614   7.603  -2.955
  477    HA   THR  63           HA       THR  63   8.196  10.040  -2.826
  478    HB   THR  63           HB       THR  63   7.818   7.293  -3.893
  479    HG1  THR  63           HG1      THR  63   7.322   9.863  -4.948
  480   1HG2  THR  63          1HG2      THR  63   5.785   7.260  -4.707
  481   2HG2  THR  63          2HG2      THR  63   5.524   7.655  -3.014
  482   3HG2  THR  63          3HG2      THR  63   5.363   8.901  -4.310
  483    H    LEU  64           H        LEU  64   7.955   7.417  -0.559
  484    HA   LEU  64           HA       LEU  64   5.919   9.098   0.843
  485   1HB   LEU  64          HB2       LEU  64   5.723   6.371   0.213
  486   2HB   LEU  64          HB3       LEU  64   6.236   6.392   1.888
  487    HG   LEU  64           HG       LEU  64   4.286   8.187   2.196
  488   1HD1  LEU  64          1HD1      LEU  64   3.401   6.726  -0.337
  489   2HD1  LEU  64          2HD1      LEU  64   2.401   7.791   0.656
  490   3HD1  LEU  64          3HD1      LEU  64   3.793   8.451  -0.233
  491   1HD2  LEU  64          1HD2      LEU  64   4.059   5.210   1.801
  492   2HD2  LEU  64          2HD2      LEU  64   4.183   6.116   3.311
  493   3HD2  LEU  64          3HD2      LEU  64   2.667   6.171   2.382
  494    H    LYS  65           H        LYS  65   9.177   7.804   1.122
  495    HA   LYS  65           HA       LYS  65   9.523   8.387   3.885
  496   1HB   LYS  65          HB2       LYS  65  11.339   8.027   1.508
  497   2HB   LYS  65          HB3       LYS  65  12.036   8.706   2.954
  498   1HG   LYS  65          HG2       LYS  65  10.320   6.219   3.224
  499   2HG   LYS  65          HG3       LYS  65  11.941   6.101   2.572
  500   1HD   LYS  65          HD2       LYS  65  11.974   5.633   4.937
  501   2HD   LYS  65          HD3       LYS  65  12.926   7.061   4.609
  502   1HE   LYS  65          HE2       LYS  65  10.019   7.272   5.489
  503   2HE   LYS  65          HE3       LYS  65  11.284   6.942   6.665
  504   1HZ   LYS  65          HZ1       LYS  65  11.051   9.394   5.028
  505   2HZ   LYS  65          HZ2       LYS  65  10.966   9.262   6.635
  506   3HZ   LYS  65          HZ3       LYS  65  12.392   8.999   5.867
  507    H    SER  66           H        SER  66   9.518  10.395   1.040
  508    HA   SER  66           HA       SER  66  10.302  12.816   2.579
  509   1HB   SER  66          HB2       SER  66   9.989  13.967   0.326
  510   2HB   SER  66          HB3       SER  66  11.318  12.807   0.442
  511    HG   SER  66           HG       SER  66   9.922  11.264  -0.588
  512    HA   PRO  67           HA       PRO  67   6.341  13.448   3.861
  513   1HB   PRO  67          HB2       PRO  67   6.423  16.414   3.410
  514   2HB   PRO  67          HB3       PRO  67   6.185  15.519   4.932
  515   1HG   PRO  67          HG2       PRO  67   8.580  16.700   4.372
  516   2HG   PRO  67          HG3       PRO  67   8.545  15.058   5.111
  517   1HD   PRO  67          HD2       PRO  67   8.723  15.795   2.173
  518   2HD   PRO  67          HD3       PRO  67   9.865  14.777   3.113
  519    H    SER  68           H        SER  68   4.557  12.882   3.115
  520    HA   SER  68           HA       SER  68   3.409  13.147   0.597
  521   1HB   SER  68          HB2       SER  68   1.412  12.195   1.800
  522   2HB   SER  68          HB3       SER  68   2.923  11.306   2.033
  523    HG   SER  68           HG       SER  68   1.639  13.081   3.802
  524    H    SER  69           H        SER  69   3.951  15.785   1.942
  525    HA   SER  69           HA       SER  69   1.308  17.101   1.724
  526   1HB   SER  69          HB2       SER  69   2.394  17.856   3.710
  527   2HB   SER  69          HB3       SER  69   3.964  17.987   2.906
  528    HG   SER  69           HG       SER  69   1.658  19.618   2.526
  529    HA   PRO  70           HA       PRO  70   3.479  18.865  -2.068
  530   1HB   PRO  70          HB2       PRO  70   6.170  18.624  -2.527
  531   2HB   PRO  70          HB3       PRO  70   5.440  19.981  -1.605
  532   1HG   PRO  70          HG2       PRO  70   6.697  17.458  -0.509
  533   2HG   PRO  70          HG3       PRO  70   7.013  19.155  -0.018
  534   1HD   PRO  70          HD2       PRO  70   5.294  17.573   1.367
  535   2HD   PRO  70          HD3       PRO  70   4.930  19.306   1.085
  536    H    GLN  71           H        GLN  71   4.821  15.877  -0.697
  537    HA   GLN  71           HA       GLN  71   4.961  14.435  -3.232
  538   1HB   GLN  71          HB2       GLN  71   5.359  13.498  -0.340
  539   2HB   GLN  71          HB3       GLN  71   5.688  12.546  -1.765
  540   1HG   GLN  71          HG2       GLN  71   7.044  15.213  -1.221
  541   2HG   GLN  71          HG3       GLN  71   7.667  13.653  -0.741
  542   1HE2  GLN  71          2HE2      GLN  71   9.081  12.704  -2.220
  543   2HE2  GLN  71          1HE2      GLN  71   8.990  13.022  -3.981
  544    H    GLN  72           H        GLN  72   2.797  15.312  -3.434
  545    HA   GLN  72           HA       GLN  72   0.464  14.273  -2.317
  546   1HB   GLN  72          HB2       GLN  72  -0.594  15.680  -3.867
  547   2HB   GLN  72          HB3       GLN  72   0.979  16.417  -3.662
  548   1HG   GLN  72          HG2       GLN  72  -0.166  14.988  -6.045
  549   2HG   GLN  72          HG3       GLN  72   0.549  16.579  -5.955
  550   1HE2  GLN  72          2HE2      GLN  72   3.252  16.291  -5.183
  551   2HE2  GLN  72          1HE2      GLN  72   3.926  15.122  -6.293
  552    H    GLN  73           H        GLN  73  -1.302  13.568  -4.082
  553    HA   GLN  73           HA       GLN  73  -1.189  10.812  -4.157
  554   1HB   GLN  73          HB2       GLN  73  -3.176  12.210  -4.201
  555   2HB   GLN  73          HB3       GLN  73  -2.840  12.737  -5.836
  556   1HG   GLN  73          HG2       GLN  73  -2.912   9.866  -5.936
  557   2HG   GLN  73          HG3       GLN  73  -4.275  10.350  -4.947
  558   1HE2  GLN  73          2HE2      GLN  73  -6.105  11.595  -6.035
  559   2HE2  GLN  73          1HE2      GLN  73  -6.031  11.648  -7.775
  560    H    GLN  74           H        GLN  74  -0.836  12.848  -7.125
  561    HA   GLN  74           HA       GLN  74  -0.713  10.735  -8.904
  562   1HB   GLN  74          HB2       GLN  74   0.701  13.431  -9.146
  563   2HB   GLN  74          HB3       GLN  74   0.541  12.256 -10.438
  564   1HG   GLN  74          HG2       GLN  74  -1.135  13.841 -10.859
  565   2HG   GLN  74          HG3       GLN  74  -1.979  12.433 -10.220
  566   1HE2  GLN  74          2HE2      GLN  74  -3.370  12.795  -8.429
  567   2HE2  GLN  74          1HE2      GLN  74  -3.409  14.381  -7.648
  568    H    GLN  75           H        GLN  75   2.185  12.279  -7.369
  569    HA   GLN  75           HA       GLN  75   3.949  10.503  -8.752
  570   1HB   GLN  75          HB2       GLN  75   5.735  11.351  -7.311
  571   2HB   GLN  75          HB3       GLN  75   4.686  12.660  -7.817
  572   1HG   GLN  75          HG2       GLN  75   4.775  13.247  -5.635
  573   2HG   GLN  75          HG3       GLN  75   3.474  12.017  -5.466
  574   1HE2  GLN  75          2HE2      GLN  75   3.799  11.456  -3.304
  575   2HE2  GLN  75          1HE2      GLN  75   5.283  10.710  -2.795
  576    H    VAL  76           H        VAL  76   2.135   9.921  -5.754
  577    HA   VAL  76           HA       VAL  76   3.800   7.541  -5.234
  578    HB   VAL  76           HB       VAL  76   0.937   7.663  -4.267
  579   1HG1  VAL  76          1HG1      VAL  76   1.895   6.256  -2.476
  580   2HG1  VAL  76          2HG1      VAL  76   2.384   5.595  -4.036
  581   3HG1  VAL  76          3HG1      VAL  76   3.530   6.561  -3.108
  582   1HG2  VAL  76          1HG2      VAL  76   3.223   9.100  -2.918
  583   2HG2  VAL  76          2HG2      VAL  76   1.613   9.744  -3.439
  584   3HG2  VAL  76          3HG2      VAL  76   1.717   8.568  -2.123
  585    H    LEU  77           H        LEU  77   0.584   8.257  -6.595
  586    HA   LEU  77           HA       LEU  77  -0.091   5.632  -7.166
  587   1HB   LEU  77          HB2       LEU  77  -1.342   8.083  -7.325
  588   2HB   LEU  77          HB3       LEU  77  -1.302   7.583  -9.019
  589    HG   LEU  77           HG       LEU  77  -2.282   5.859  -6.685
  590   1HD1  LEU  77          1HD1      LEU  77  -3.769   7.783  -6.955
  591   2HD1  LEU  77          2HD1      LEU  77  -3.920   7.448  -8.704
  592   3HD1  LEU  77          3HD1      LEU  77  -4.570   6.315  -7.492
  593   1HD2  LEU  77          1HD2      LEU  77  -2.482   5.505  -9.699
  594   2HD2  LEU  77          2HD2      LEU  77  -1.597   4.466  -8.554
  595   3HD2  LEU  77          3HD2      LEU  77  -3.370   4.519  -8.509
  596    H    ASN  78           H        ASN  78   1.603   7.988  -9.226
  597    HA   ASN  78           HA       ASN  78   1.951   6.506 -11.594
  598   1HB   ASN  78          HB2       ASN  78   2.428   8.892 -11.409
  599   2HB   ASN  78          HB3       ASN  78   3.707   8.593 -10.237
  600   1HD2  ASN  78          2HD2      ASN  78   5.769   8.647 -11.123
  601   2HD2  ASN  78          1HD2      ASN  78   6.066   8.270 -12.827
  602    H    ILE  79           H        ILE  79   3.869   6.269  -8.528
  603    HA   ILE  79           HA       ILE  79   5.671   4.363  -9.907
  604    HB   ILE  79           HB       ILE  79   5.893   5.317  -7.074
  605   1HG1  ILE  79          2HG1      ILE  79   7.605   6.264  -9.400
  606   2HG1  ILE  79          3HG1      ILE  79   6.124   7.135  -9.029
  607   1HG2  ILE  79          1HG2      ILE  79   7.851   3.958  -9.007
  608   2HG2  ILE  79          2HG2      ILE  79   8.216   4.427  -7.350
  609   3HG2  ILE  79          3HG2      ILE  79   7.048   3.130  -7.677
  610   1HD1  ILE  79          1HD1      ILE  79   6.839   7.500  -6.721
  611   2HD1  ILE  79          2HD1      ILE  79   8.401   6.714  -7.085
  612   3HD1  ILE  79          3HD1      ILE  79   7.917   8.226  -7.907
  613    H    LEU  80           H        LEU  80   3.128   4.385  -7.441
  614    HA   LEU  80           HA       LEU  80   2.911   1.707  -6.628
  615   1HB   LEU  80          HB2       LEU  80   1.079   3.994  -7.230
  616   2HB   LEU  80          HB3       LEU  80   0.284   2.468  -7.072
  617    HG   LEU  80           HG       LEU  80   2.113   3.504  -4.876
  618   1HD1  LEU  80          1HD1      LEU  80   0.328   5.205  -5.122
  619   2HD1  LEU  80          2HD1      LEU  80  -0.915   3.923  -5.203
  620   3HD1  LEU  80          3HD1      LEU  80   0.014   4.213  -3.715
  621   1HD2  LEU  80          1HD2      LEU  80  -0.242   1.568  -4.987
  622   2HD2  LEU  80          2HD2      LEU  80   1.477   1.093  -4.830
  623   3HD2  LEU  80          3HD2      LEU  80   0.648   2.010  -3.531
  624    H    LYS  81           H        LYS  81   1.360   3.149  -9.554
  625    HA   LYS  81           HA       LYS  81   0.514   0.648 -10.609
  626   1HB   LYS  81          HB2       LYS  81  -0.263   1.832 -12.503
  627   2HB   LYS  81          HB3       LYS  81  -0.559   2.766 -11.063
  628   1HG   LYS  81          HG2       LYS  81   0.081   4.400 -12.501
  629   2HG   LYS  81          HG3       LYS  81   1.613   4.087 -11.677
  630   1HD   LYS  81          HD2       LYS  81   2.402   2.805 -13.602
  631   2HD   LYS  81          HD3       LYS  81   0.801   2.922 -14.374
  632   1HE   LYS  81          HE2       LYS  81   1.834   4.642 -15.482
  633   2HE   LYS  81          HE3       LYS  81   1.246   5.534 -14.079
  634   1HZ   LYS  81          HZ1       LYS  81   3.488   6.121 -14.183
  635   2HZ   LYS  81          HZ2       LYS  81   3.497   4.961 -13.075
  636   3HZ   LYS  81          HZ3       LYS  81   3.992   4.609 -14.598
  637    H    SER  82           H        SER  82   3.727   1.729 -10.497
  638    HA   SER  82           HA       SER  82   4.551   0.193 -12.910
  639   1HB   SER  82          HB2       SER  82   6.760   0.943 -12.511
  640   2HB   SER  82          HB3       SER  82   5.785   2.377 -12.124
  641    HG   SER  82           HG       SER  82   5.935   1.690  -9.893
  642    H    ASN  83           H        ASN  83   3.772  -0.516  -9.777
  643    HA   ASN  83           HA       ASN  83   4.917  -3.210 -10.219
  644   1HB   ASN  83          HB2       ASN  83   5.553  -3.431  -7.904
  645   2HB   ASN  83          HB3       ASN  83   6.602  -2.440  -8.890
  646   1HD2  ASN  83          2HD2      ASN  83   3.762  -0.635  -7.809
  647   2HD2  ASN  83          1HD2      ASN  83   4.727   0.172  -6.555
  648    HA   PRO  84           HA       PRO  84   0.335  -3.139  -9.533
  649   1HB   PRO  84          HB2       PRO  84   0.204  -5.620 -10.984
  650   2HB   PRO  84          HB3       PRO  84  -0.304  -3.974 -11.469
  651   1HG   PRO  84          HG2       PRO  84   2.302  -5.364 -12.004
  652   2HG   PRO  84          HG3       PRO  84   1.439  -4.174 -13.044
  653   1HD   PRO  84          HD2       PRO  84   3.570  -3.383 -11.686
  654   2HD   PRO  84          HD3       PRO  84   2.121  -2.357 -11.723
  655    H    GLN  85           H        GLN  85   2.643  -5.785  -8.850
  656    HA   GLN  85           HA       GLN  85   0.914  -7.190  -7.013
  657   1HB   GLN  85          HB2       GLN  85   3.000  -7.995  -8.291
  658   2HB   GLN  85          HB3       GLN  85   3.941  -7.199  -7.013
  659   1HG   GLN  85          HG2       GLN  85   2.871  -8.649  -5.342
  660   2HG   GLN  85          HG3       GLN  85   1.893  -9.413  -6.608
  661   1HE2  GLN  85          2HE2      GLN  85   4.833  -9.636  -4.851
  662   2HE2  GLN  85          1HE2      GLN  85   5.705 -10.671  -5.978
  663    H    LEU  86           H        LEU  86   3.380  -4.614  -6.541
  664    HA   LEU  86           HA       LEU  86   3.059  -4.450  -3.658
  665   1HB   LEU  86          HB2       LEU  86   5.007  -3.582  -5.157
  666   2HB   LEU  86          HB3       LEU  86   3.975  -2.149  -5.343
  667    HG   LEU  86           HG       LEU  86   4.901  -3.270  -2.655
  668   1HD1  LEU  86          1HD1      LEU  86   6.809  -2.581  -4.078
  669   2HD1  LEU  86          2HD1      LEU  86   6.596  -1.480  -2.700
  670   3HD1  LEU  86          3HD1      LEU  86   6.036  -0.984  -4.288
  671   1HD2  LEU  86          1HD2      LEU  86   3.019  -1.749  -2.265
  672   2HD2  LEU  86          2HD2      LEU  86   4.480  -0.874  -1.872
  673   3HD2  LEU  86          3HD2      LEU  86   3.659  -0.574  -3.420
  674    H    MET  87           H        MET  87   1.691  -2.857  -6.483
  675    HA   MET  87           HA       MET  87  -0.044  -1.022  -5.261
  676   1HB   MET  87          HB2       MET  87   0.573  -1.838  -7.833
  677   2HB   MET  87          HB3       MET  87  -1.107  -2.365  -7.703
  678   1HG   MET  87          HG2       MET  87  -0.071   0.378  -6.991
  679   2HG   MET  87          HG3       MET  87  -0.652  -0.074  -8.590
  680   1HE   MET  87          HE1       MET  87  -3.466   2.160  -7.689
  681   2HE   MET  87          HE2       MET  87  -1.949   2.443  -6.805
  682   3HE   MET  87          HE3       MET  87  -1.908   1.931  -8.522
  683    H    ALA  88           H        ALA  88  -0.864  -4.400  -6.229
  684    HA   ALA  88           HA       ALA  88  -3.385  -4.474  -4.983
  685   1HB   ALA  88          HB1       ALA  88  -2.574  -6.135  -6.615
  686   2HB   ALA  88          HB2       ALA  88  -1.352  -6.697  -5.461
  687   3HB   ALA  88          HB3       ALA  88  -3.091  -6.937  -5.118
  688    H    ALA  89           H        ALA  89  -0.150  -5.375  -3.595
  689    HA   ALA  89           HA       ALA  89  -1.100  -6.026  -1.017
  690   1HB   ALA  89          HB1       ALA  89   1.149  -6.560  -1.840
  691   2HB   ALA  89          HB2       ALA  89   1.585  -4.832  -1.828
  692   3HB   ALA  89          HB3       ALA  89   1.226  -5.659  -0.308
  693    H    PHE  90           H        PHE  90  -0.196  -2.813  -2.321
  694    HA   PHE  90           HA       PHE  90  -0.684  -1.262   0.007
  695   1HB   PHE  90          HB2       PHE  90   0.421  -0.276  -1.862
  696   2HB   PHE  90          HB3       PHE  90  -0.888  -0.638  -2.962
  697    HD1  PHE  90           HD1      PHE  90  -0.063   1.388   0.101
  698    HD2  PHE  90           HD2      PHE  90  -2.620   1.029  -3.381
  699    HE1  PHE  90           HE1      PHE  90  -0.820   3.679   0.402
  700    HE2  PHE  90           HE2      PHE  90  -3.530   3.242  -2.902
  701    HZ   PHE  90           HZ       PHE  90  -2.628   4.611  -1.014
  702    H    ILE  91           H        ILE  91  -2.983  -1.869  -2.748
  703    HA   ILE  91           HA       ILE  91  -5.277  -0.795  -1.531
  704    HB   ILE  91           HB       ILE  91  -4.902  -3.059  -3.499
  705   1HG1  ILE  91          2HG1      ILE  91  -5.885  -0.186  -3.868
  706   2HG1  ILE  91          3HG1      ILE  91  -4.231  -0.703  -4.151
  707   1HG2  ILE  91          1HG2      ILE  91  -7.296  -2.918  -4.058
  708   2HG2  ILE  91          2HG2      ILE  91  -7.064  -3.450  -2.415
  709   3HG2  ILE  91          3HG2      ILE  91  -7.551  -1.770  -2.719
  710   1HD1  ILE  91          1HD1      ILE  91  -6.674  -1.615  -5.732
  711   2HD1  ILE  91          2HD1      ILE  91  -5.446  -0.480  -6.248
  712   3HD1  ILE  91          3HD1      ILE  91  -4.982  -2.172  -5.980
  713    H    LYS  92           H        LYS  92  -4.051  -4.118  -1.259
  714    HA   LYS  92           HA       LYS  92  -6.011  -5.196   0.500
  715   1HB   LYS  92          HB2       LYS  92  -4.333  -6.503  -0.835
  716   2HB   LYS  92          HB3       LYS  92  -3.055  -5.876   0.197
  717   1HG   LYS  92          HG2       LYS  92  -3.509  -8.108   0.901
  718   2HG   LYS  92          HG3       LYS  92  -4.106  -7.026   2.161
  719   1HD   LYS  92          HD2       LYS  92  -5.662  -8.834   1.838
  720   2HD   LYS  92          HD3       LYS  92  -6.401  -7.306   1.365
  721   1HE   LYS  92          HE2       LYS  92  -5.864  -7.868  -1.050
  722   2HE   LYS  92          HE3       LYS  92  -5.253  -9.437  -0.525
  723   1HZ   LYS  92          HZ1       LYS  92  -7.426 -10.093   0.109
  724   2HZ   LYS  92          HZ2       LYS  92  -7.979  -8.534   0.091
  725   3HZ   LYS  92          HZ3       LYS  92  -7.694  -9.305  -1.282
  726    H    GLN  93           H        GLN  93  -2.720  -3.958   1.484
  727    HA   GLN  93           HA       GLN  93  -3.368  -4.239   4.249
  728   1HB   GLN  93          HB3       GLN  93  -1.049  -4.121   3.087
  729   2HB   GLN  93          HB2       GLN  93  -1.209  -2.386   3.266
  730   1HG   GLN  93          HG2       GLN  93  -0.673  -4.535   5.272
  731   2HG   GLN  93          HG3       GLN  93   0.065  -2.963   5.152
  732   1HE2  GLN  93          1HE2      GLN  93  -0.811  -1.236   6.768
  733   2HE2  GLN  93          2HE2      GLN  93  -2.174  -1.728   7.732
  734    H    ARG  94           H        ARG  94  -3.586  -1.402   2.022
  735    HA   ARG  94           HA       ARG  94  -4.411   0.524   3.940
  736   1HB   ARG  94          HB2       ARG  94  -5.294   0.178   1.037
  737   2HB   ARG  94          HB3       ARG  94  -5.734   1.549   2.045
  738   1HG   ARG  94          HG2       ARG  94  -2.915   0.815   1.147
  739   2HG   ARG  94          HG3       ARG  94  -3.898   2.141   0.560
  740   1HD   ARG  94          HD2       ARG  94  -2.744   1.722   3.325
  741   2HD   ARG  94          HD3       ARG  94  -2.183   2.930   2.138
  742    HE   ARG  94           HE       ARG  94  -4.652   3.820   2.467
  743   1HH1  ARG  94          1HH1      ARG  94  -2.533   2.599   4.959
  744   2HH1  ARG  94          2HH1      ARG  94  -3.134   3.677   6.184
  745   1HH2  ARG  94          1HH2      ARG  94  -5.385   5.130   3.971
  746   2HH2  ARG  94          2HH2      ARG  94  -4.771   5.167   5.645
  747    H    THR  95           H        THR  95  -6.389  -1.827   2.113
  748    HA   THR  95           HA       THR  95  -8.840  -1.149   3.453
  749    HB   THR  95           HB       THR  95  -8.420  -3.967   2.479
  750    HG1  THR  95           HG1      THR  95  -7.650  -2.571   0.738
  751   1HG2  THR  95          1HG2      THR  95 -10.552  -2.982   3.550
  752   2HG2  THR  95          2HG2      THR  95 -10.626  -1.936   2.106
  753   3HG2  THR  95          3HG2      THR  95 -10.769  -3.702   1.942
  754    H    ALA  96           H        ALA  96  -6.400  -3.699   4.197
  755    HA   ALA  96           HA       ALA  96  -7.688  -4.784   6.460
  756   1HB   ALA  96          HB1       ALA  96  -4.725  -4.543   5.868
  757   2HB   ALA  96          HB2       ALA  96  -5.454  -5.652   7.032
  758   3HB   ALA  96          HB3       ALA  96  -5.811  -5.839   5.296
  759    H    LYS  97           H        LYS  97  -5.318  -2.037   6.347
  760    HA   LYS  97           HA       LYS  97  -5.278  -1.238   9.046
  761   1HB   LYS  97          HB2       LYS  97  -3.830  -0.113   7.624
  762   2HB   LYS  97          HB3       LYS  97  -5.041   0.161   6.403
  763   1HG   LYS  97          HG2       LYS  97  -4.392   2.218   7.448
  764   2HG   LYS  97          HG3       LYS  97  -6.103   1.932   7.699
  765   1HD   LYS  97          HD2       LYS  97  -5.801   1.358   9.993
  766   2HD   LYS  97          HD3       LYS  97  -4.052   1.198   9.818
  767   1HE   LYS  97          HE2       LYS  97  -4.790   3.234  11.035
  768   2HE   LYS  97          HE3       LYS  97  -3.774   3.566   9.647
  769   1HZ   LYS  97          HZ1       LYS  97  -6.691   4.013   9.771
  770   2HZ   LYS  97          HZ2       LYS  97  -5.451   5.078   9.559
  771   3HZ   LYS  97          HZ3       LYS  97  -5.760   4.120   8.367
  772    H    TYR  98           H        TYR  98  -7.586  -0.116   6.515
  773    HA   TYR  98           HA       TYR  98  -9.252   1.260   8.317
  774   1HB   TYR  98          HB2       TYR  98  -9.899  -0.043   5.660
  775   2HB   TYR  98          HB3       TYR  98 -11.031   0.960   6.574
  776    HD1  TYR  98           HD1      TYR  98  -9.715   3.233   7.506
  777    HD2  TYR  98           HD2      TYR  98  -8.929   1.130   3.822
  778    HE1  TYR  98           HE1      TYR  98  -8.813   5.314   6.484
  779    HE2  TYR  98           HE2      TYR  98  -8.211   3.150   2.766
  780    HH   TYR  98           HH       TYR  98  -7.350   5.425   3.355
  781    H    VAL  99           H        VAL  99  -9.954  -2.118   7.090
  782    HA   VAL  99           HA       VAL  99 -12.249  -2.294   8.785
  783    HB   VAL  99           HB       VAL  99 -12.340  -4.651   8.390
  784   1HG1  VAL  99          1HG1      VAL  99 -12.415  -4.656   5.938
  785   2HG1  VAL  99          2HG1      VAL  99 -13.031  -3.120   6.569
  786   3HG1  VAL  99          3HG1      VAL  99 -11.411  -3.187   5.864
  787   1HG2  VAL  99          1HG2      VAL  99  -9.613  -4.443   7.123
  788   2HG2  VAL  99          2HG2      VAL  99  -9.942  -5.229   8.699
  789   3HG2  VAL  99          3HG2      VAL  99 -10.644  -5.896   7.225
  790    H    ALA 100           H        ALA 100  -8.868  -2.861   9.651
  791    HA   ALA 100           HA       ALA 100  -9.658  -3.947  12.253
  792   1HB   ALA 100          HB1       ALA 100  -7.246  -4.183  12.598
  793   2HB   ALA 100          HB2       ALA 100  -7.719  -4.851  11.029
  794   3HB   ALA 100          HB3       ALA 100  -6.908  -3.276  11.115
  795    H    ASN 101           H        ASN 101  -9.358  -0.755  11.119
  796    HA   ASN 101           HA       ASN 101  -8.962   0.219  13.930
  797   1HB   ASN 101          HB2       ASN 101  -6.888   0.039  12.307
  798   2HB   ASN 101          HB3       ASN 101  -7.558   1.504  11.573
  799   1HD2  ASN 101          1HD2      ASN 101  -7.038   0.277  14.961
  800   2HD2  ASN 101          2HD2      ASN 101  -6.195   1.772  15.424
  801    H    GLN 102           H        GLN 102 -10.349   0.895  10.803
  802    HA   GLN 102           HA       GLN 102 -12.283   2.760  11.974
  803   1HB   GLN 102          HB2       GLN 102 -10.656   3.577   9.538
  804   2HB   GLN 102          HB3       GLN 102 -12.107   4.369  10.112
  805   1HG   GLN 102          HG2       GLN 102 -10.422   5.742  10.836
  806   2HG   GLN 102          HG3       GLN 102 -10.919   4.868  12.284
  807   1HE2  GLN 102          2HE2      GLN 102  -9.018   4.682  13.500
  808   2HE2  GLN 102          1HE2      GLN 102  -7.514   4.069  12.828
  809    HA   PRO 103           HA       PRO 103 -13.768  -0.430   8.900
  810   1HB   PRO 103          HB2       PRO 103 -15.543  -1.806  10.394
  811   2HB   PRO 103          HB3       PRO 103 -13.789  -2.101  10.457
  812   1HG   PRO 103          HG2       PRO 103 -15.423  -0.380  12.358
  813   2HG   PRO 103          HG3       PRO 103 -14.200  -1.633  12.773
  814   1HD   PRO 103          HD2       PRO 103 -13.592   1.015  12.698
  815   2HD   PRO 103          HD3       PRO 103 -12.425  -0.233  12.172
  816    H    GLY 104           H        GLY 104 -14.513   1.726   8.111
  817   1HA   GLY 104          HA2       GLY 104 -17.254   2.609   8.562
  818   2HA   GLY 104          HA3       GLY 104 -16.179   3.096   7.240
  819    H    MET 105           H        MET 105 -17.991   0.240   8.394
  820    HA   MET 105           HA       MET 105 -18.978  -0.295   5.671
  821   1HB   MET 105          HB2       MET 105 -18.333  -2.688   5.838
  822   2HB   MET 105          HB3       MET 105 -16.943  -1.624   5.892
  823   1HG   MET 105          HG2       MET 105 -17.123  -1.836   8.488
  824   2HG   MET 105          HG3       MET 105 -18.191  -3.206   8.151
  825   1HE   MET 105          HE1       MET 105 -15.675  -5.599   6.213
  826   2HE   MET 105          HE2       MET 105 -17.355  -5.389   6.806
  827   3HE   MET 105          HE3       MET 105 -16.718  -4.399   5.465
  828    H    GLN 106           H        GLN 106 -20.831  -1.744   5.526
  829    HA   GLN 106           HA       GLN 106 -22.207  -2.541   8.002
  830   1HB   GLN 106          HB2       GLN 106 -22.959  -0.232   7.291
  831   2HB   GLN 106          HB3       GLN 106 -23.578  -0.925   5.793
  832   1HG   GLN 106          HG2       GLN 106 -24.484  -2.184   8.396
  833   2HG   GLN 106          HG3       GLN 106 -25.001  -0.544   8.091
  834   1HE2  GLN 106          2HE2      GLN 106 -24.994  -3.789   6.486
  835   2HE2  GLN 106          1HE2      GLN 106 -26.551  -3.494   5.680
  Start of MODEL    8
    1   1H    GLU   1          H1        GLU   1  15.194 -10.976  -7.269
    2   2H    GLU   1          H2        GLU   1  16.537 -11.672  -7.921
    3   3H    GLU   1          H3        GLU   1  16.078 -10.141  -8.339
    4    HA   GLU   1           HA       GLU   1  14.052 -10.978  -9.370
    5   1HB   GLU   1          HB2       GLU   1  16.649 -12.124 -10.399
    6   2HB   GLU   1          HB3       GLU   1  15.163 -12.029 -11.347
    7   1HG   GLU   1          HG2       GLU   1  16.610  -9.611 -10.187
    8   2HG   GLU   1          HG3       GLU   1  16.787 -10.226 -11.825
    9    H    GLY   2           H        GLY   2  14.998 -13.116  -6.997
   10   1HA   GLY   2          HA2       GLY   2  14.134 -15.578  -8.429
   11   2HA   GLY   2          HA3       GLY   2  14.938 -15.482  -6.863
   12    H    GLN   3           H        GLN   3  13.148 -13.234  -6.119
   13    HA   GLN   3           HA       GLN   3  10.924 -12.615  -5.647
   14   1HB   GLN   3          HB2       GLN   3  10.259 -15.576  -5.434
   15   2HB   GLN   3          HB3       GLN   3   9.152 -14.257  -5.075
   16   1HG   GLN   3          HG2       GLN   3   8.872 -13.609  -7.247
   17   2HG   GLN   3          HG3       GLN   3  10.411 -14.241  -7.818
   18   1HE2  GLN   3          2HE2      GLN   3  10.567 -16.802  -7.460
   19   2HE2  GLN   3          1HE2      GLN   3   9.143 -17.644  -8.123
   20    H    SER   4           H        SER   4  12.742 -15.205  -4.086
   21    HA   SER   4           HA       SER   4  12.046 -14.738  -1.372
   22   1HB   SER   4          HB2       SER   4  14.747 -15.550  -2.529
   23   2HB   SER   4          HB3       SER   4  14.201 -15.776  -0.854
   24    HG   SER   4           HG       SER   4  13.884 -17.662  -2.066
   25    H    ASP   5           H        ASP   5  14.082 -12.829  -3.627
   26    HA   ASP   5           HA       ASP   5  15.121 -11.095  -1.559
   27   1HB   ASP   5          HB2       ASP   5  15.887  -9.799  -3.520
   28   2HB   ASP   5          HB3       ASP   5  16.424 -11.485  -3.534
   29    H    GLU   6           H        GLU   6  12.738 -10.731  -4.283
   30    HA   GLU   6           HA       GLU   6  11.906  -8.202  -3.513
   31   1HB   GLU   6          HB2       GLU   6  11.245  -9.609  -5.673
   32   2HB   GLU   6          HB3       GLU   6   9.803  -9.998  -4.700
   33   1HG   GLU   6          HG2       GLU   6   9.726  -7.427  -4.192
   34   2HG   GLU   6          HG3       GLU   6  10.931  -7.275  -5.451
   35    H    ARG   7           H        ARG   7  10.613 -11.288  -2.208
   36    HA   ARG   7           HA       ARG   7   8.240 -10.150  -1.262
   37   1HB   ARG   7          HB2       ARG   7   8.574 -12.563  -1.362
   38   2HB   ARG   7          HB3       ARG   7   9.833 -12.484  -0.144
   39   1HG   ARG   7          HG2       ARG   7   7.782 -13.305   0.869
   40   2HG   ARG   7          HG3       ARG   7   8.257 -11.773   1.559
   41   1HD   ARG   7          HD2       ARG   7   6.567 -10.693  -0.124
   42   2HD   ARG   7          HD3       ARG   7   5.931 -12.344  -0.305
   43    HE   ARG   7           HE       ARG   7   5.618 -10.480   1.890
   44   1HH1  ARG   7          2HH2      ARG   7   5.341 -13.858   1.179
   45   2HH1  ARG   7          1HH2      ARG   7   4.704 -14.251   2.775
   46   1HH2  ARG   7          1HH1      ARG   7   5.207 -11.027   3.887
   47   2HH2  ARG   7          2HH1      ARG   7   4.477 -12.551   4.341
   48    H    ALA   8           H        ALA   8  11.398  -9.986   0.305
   49    HA   ALA   8           HA       ALA   8  10.408  -8.694   2.746
   50   1HB   ALA   8          HB1       ALA   8  12.798  -8.183   3.098
   51   2HB   ALA   8          HB2       ALA   8  12.575  -9.894   2.665
   52   3HB   ALA   8          HB3       ALA   8  13.192  -8.730   1.467
   53    H    LEU   9           H        LEU   9  11.731  -7.530  -0.360
   54    HA   LEU   9           HA       LEU   9  11.806  -4.725   0.250
   55   1HB   LEU   9          HB2       LEU   9  11.270  -5.709  -2.560
   56   2HB   LEU   9          HB3       LEU   9  12.283  -4.382  -2.053
   57    HG   LEU   9           HG       LEU   9  12.820  -7.305  -1.749
   58   1HD1  LEU   9          1HD1      LEU   9  12.990  -6.333  -4.123
   59   2HD1  LEU   9          2HD1      LEU   9  14.538  -5.660  -3.578
   60   3HD1  LEU   9          3HD1      LEU   9  14.241  -7.411  -3.510
   61   1HD2  LEU   9          1HD2      LEU   9  14.777  -5.035  -1.145
   62   2HD2  LEU   9          2HD2      LEU   9  13.979  -6.089   0.054
   63   3HD2  LEU   9          3HD2      LEU   9  15.140  -6.767  -1.105
   64    H    LEU  10           H        LEU  10   9.401  -6.790  -1.257
   65    HA   LEU  10           HA       LEU  10   7.325  -4.952  -1.822
   66   1HB   LEU  10          HB2       LEU  10   7.710  -7.123  -2.921
   67   2HB   LEU  10          HB3       LEU  10   7.535  -7.970  -1.394
   68    HG   LEU  10           HG       LEU  10   5.138  -7.493  -1.342
   69   1HD1  LEU  10          1HD1      LEU  10   4.042  -6.513  -3.330
   70   2HD1  LEU  10          2HD1      LEU  10   5.085  -5.339  -2.523
   71   3HD1  LEU  10          3HD1      LEU  10   5.626  -6.130  -4.032
   72   1HD2  LEU  10          1HD2      LEU  10   6.104  -8.554  -4.051
   73   2HD2  LEU  10          2HD2      LEU  10   6.028  -9.503  -2.545
   74   3HD2  LEU  10          3HD2      LEU  10   4.538  -8.895  -3.305
   75    H    ASP  11           H        ASP  11   7.777  -7.288   0.936
   76    HA   ASP  11           HA       ASP  11   5.574  -6.326   2.437
   77   1HB   ASP  11          HB2       ASP  11   8.066  -7.833   3.226
   78   2HB   ASP  11          HB3       ASP  11   6.981  -7.245   4.443
   79    H    GLN  12           H        GLN  12   9.016  -5.176   2.776
   80    HA   GLN  12           HA       GLN  12   8.134  -3.226   4.674
   81   1HB   GLN  12          HB2       GLN  12  10.312  -2.269   4.573
   82   2HB   GLN  12          HB3       GLN  12  10.443  -4.023   4.520
   83   1HG   GLN  12          HG2       GLN  12  12.055  -3.381   3.063
   84   2HG   GLN  12          HG3       GLN  12  10.730  -3.839   2.001
   85   1HE2  GLN  12          1HE2      GLN  12  10.429  -2.422   0.304
   86   2HE2  GLN  12          2HE2      GLN  12  10.948  -0.721   0.377
   87    H    LEU  13           H        LEU  13   8.138  -3.105   1.120
   88    HA   LEU  13           HA       LEU  13   7.619  -0.272   1.104
   89   1HB   LEU  13          HB2       LEU  13   8.739  -1.582  -0.705
   90   2HB   LEU  13          HB3       LEU  13   7.188  -2.301  -1.119
   91    HG   LEU  13           HG       LEU  13   6.369  -0.101  -1.865
   92   1HD1  LEU  13          1HD1      LEU  13   8.978   0.963  -0.701
   93   2HD1  LEU  13          2HD1      LEU  13   7.948   1.873  -1.832
   94   3HD1  LEU  13          3HD1      LEU  13   7.297   1.401  -0.267
   95   1HD2  LEU  13          1HD2      LEU  13   7.961  -1.518  -3.294
   96   2HD2  LEU  13          2HD2      LEU  13   7.895   0.202  -3.725
   97   3HD2  LEU  13          3HD2      LEU  13   9.267  -0.432  -2.781
   98    H    HIS  14           H        HIS  14   5.469  -3.177   0.913
   99    HA   HIS  14           HA       HIS  14   3.129  -1.451   0.631
  100   1HB   HIS  14          HB2       HIS  14   1.720  -3.278   0.750
  101   2HB   HIS  14          HB3       HIS  14   3.085  -3.748  -0.251
  102    HD2  HIS  14           HD2      HIS  14   3.751  -6.164   0.097
  103    HE1  HIS  14           HE1      HIS  14   2.658  -6.671   4.178
  104    HE2  HIS  14           HE2      HIS  14   3.758  -7.791   2.147
  105    H    THR  15           H        THR  15   4.867  -2.817   3.377
  106    HA   THR  15           HA       THR  15   3.097  -1.822   5.417
  107    HB   THR  15           HB       THR  15   6.119  -1.963   5.632
  108    HG1  THR  15           HG1      THR  15   5.390  -3.966   5.009
  109   1HG2  THR  15          1HG2      THR  15   5.625  -2.437   8.010
  110   2HG2  THR  15          2HG2      THR  15   5.003  -0.855   7.552
  111   3HG2  THR  15          3HG2      THR  15   3.877  -2.224   7.694
  112    H    LEU  16           H        LEU  16   6.009  -0.217   3.907
  113    HA   LEU  16           HA       LEU  16   5.715   2.277   5.141
  114   1HB   LEU  16          HB2       LEU  16   7.627   1.689   3.665
  115   2HB   LEU  16          HB3       LEU  16   6.548   1.533   2.306
  116    HG   LEU  16           HG       LEU  16   5.982   4.132   2.905
  117   1HD1  LEU  16          1HD1      LEU  16   8.856   3.747   3.811
  118   2HD1  LEU  16          2HD1      LEU  16   8.055   5.315   3.499
  119   3HD1  LEU  16          3HD1      LEU  16   7.487   4.263   4.809
  120   1HD2  LEU  16          1HD2      LEU  16   7.740   4.694   1.170
  121   2HD2  LEU  16          2HD2      LEU  16   8.164   2.966   1.194
  122   3HD2  LEU  16          3HD2      LEU  16   6.532   3.477   0.730
  123    H    LEU  17           H        LEU  17   4.119   1.254   2.031
  124    HA   LEU  17           HA       LEU  17   2.590   3.691   1.864
  125   1HB   LEU  17          HB2       LEU  17   2.076   0.956   0.677
  126   2HB   LEU  17          HB3       LEU  17   1.044   2.375   0.530
  127    HG   LEU  17           HG       LEU  17   2.098   2.304  -1.506
  128   1HD1  LEU  17          1HD1      LEU  17   3.897   4.262  -0.115
  129   2HD1  LEU  17          2HD1      LEU  17   3.309   4.273  -1.782
  130   3HD1  LEU  17          3HD1      LEU  17   2.163   4.565  -0.462
  131   1HD2  LEU  17          1HD2      LEU  17   4.832   2.030  -0.241
  132   2HD2  LEU  17          2HD2      LEU  17   3.874   0.719  -1.008
  133   3HD2  LEU  17          3HD2      LEU  17   4.429   2.113  -1.961
  134    H    SER  18           H        SER  18   2.088   0.986   3.980
  135    HA   SER  18           HA       SER  18  -0.777   1.824   4.437
  136   1HB   SER  18          HB2       SER  18   0.321  -0.912   4.942
  137   2HB   SER  18          HB3       SER  18  -1.367  -0.396   4.735
  138    HG   SER  18           HG       SER  18   0.655  -0.755   2.855
  139    H    ASN  19           H        ASN  19   1.925   2.372   5.824
  140    HA   ASN  19           HA       ASN  19   2.325   1.362   8.252
  141   1HB   ASN  19          HB2       ASN  19   3.731   3.332   8.578
  142   2HB   ASN  19          HB3       ASN  19   3.745   2.890   6.902
  143   1HD2  ASN  19          2HD2      ASN  19   3.268   4.519   5.429
  144   2HD2  ASN  19          1HD2      ASN  19   2.522   6.054   5.910
  145    H    THR  20           H        THR  20  -0.514   2.704   7.850
  146    HA   THR  20           HA       THR  20  -2.270   2.992   9.316
  147    HB   THR  20           HB       THR  20  -2.190   4.281  11.413
  148    HG1  THR  20           HG1      THR  20   0.576   4.030  11.045
  149   1HG2  THR  20          1HG2      THR  20  -2.204   1.833  11.411
  150   2HG2  THR  20          2HG2      THR  20  -0.438   1.813  11.353
  151   3HG2  THR  20          3HG2      THR  20  -1.264   2.490  12.774
  152    H    ASP  21           H        ASP  21   0.022   5.530   8.279
  153    HA   ASP  21           HA       ASP  21  -1.720   7.718   8.482
  154   1HB   ASP  21          HB2       ASP  21   0.681   7.852   8.028
  155   2HB   ASP  21          HB3       ASP  21   0.440   7.167   6.411
  156    H    ALA  22           H        ALA  22  -2.734   8.888   6.936
  157    HA   ALA  22           HA       ALA  22  -3.704   7.776   4.395
  158   1HB   ALA  22          HB1       ALA  22  -5.387   6.923   5.964
  159   2HB   ALA  22          HB2       ALA  22  -5.659   8.568   6.596
  160   3HB   ALA  22          HB3       ALA  22  -6.091   8.168   4.923
  161    H    THR  23           H        THR  23  -2.494  10.393   6.071
  162    HA   THR  23           HA       THR  23  -4.103  12.531   5.689
  163    HB   THR  23           HB       THR  23  -1.030  12.529   5.469
  164    HG1  THR  23           HG1      THR  23  -1.553  11.396   7.273
  165   1HG2  THR  23          1HG2      THR  23  -1.166  14.674   6.670
  166   2HG2  THR  23          2HG2      THR  23  -1.931  14.746   5.078
  167   3HG2  THR  23          3HG2      THR  23  -2.945  14.628   6.540
  168    H    GLY  24           H        GLY  24  -1.617  11.669   3.295
  169   1HA   GLY  24          HA2       GLY  24  -3.261  13.098   1.211
  170   2HA   GLY  24          HA3       GLY  24  -1.510  12.936   1.158
  171    H    LEU  25           H        LEU  25  -2.033  10.048   2.301
  172    HA   LEU  25           HA       LEU  25  -2.127   8.573  -0.163
  173   1HB   LEU  25          HB2       LEU  25  -2.457   7.920   2.762
  174   2HB   LEU  25          HB3       LEU  25  -2.728   6.675   1.535
  175    HG   LEU  25           HG       LEU  25  -0.201   8.240   1.258
  176   1HD1  LEU  25          1HD1      LEU  25  -0.342   7.825   3.722
  177   2HD1  LEU  25          2HD1      LEU  25  -0.481   6.082   3.405
  178   3HD1  LEU  25          3HD1      LEU  25   0.995   6.970   2.955
  179   1HD2  LEU  25          1HD2      LEU  25   0.656   6.134   0.474
  180   2HD2  LEU  25          2HD2      LEU  25  -0.752   5.254   1.097
  181   3HD2  LEU  25          3HD2      LEU  25  -0.926   6.392  -0.265
  182    H    GLU  26           H        GLU  26  -4.671   9.873   1.948
  183    HA   GLU  26           HA       GLU  26  -6.935   8.620   1.178
  184   1HB   GLU  26          HB2       GLU  26  -8.041  10.863   1.466
  185   2HB   GLU  26          HB3       GLU  26  -6.983  10.375   2.769
  186   1HG   GLU  26          HG2       GLU  26  -6.475  12.598   2.601
  187   2HG   GLU  26          HG3       GLU  26  -5.157  11.870   1.724
  188    H    GLU  27           H        GLU  27  -5.311  11.025  -0.952
  189    HA   GLU  27           HA       GLU  27  -7.173  10.845  -3.103
  190   1HB   GLU  27          HB2       GLU  27  -5.164  12.441  -2.672
  191   2HB   GLU  27          HB3       GLU  27  -4.162  11.183  -3.347
  192   1HG   GLU  27          HG2       GLU  27  -4.594  12.715  -5.144
  193   2HG   GLU  27          HG3       GLU  27  -5.561  11.270  -5.462
  194    H    ILE  28           H        ILE  28  -4.166   9.054  -2.504
  195    HA   ILE  28           HA       ILE  28  -4.232   7.548  -4.957
  196    HB   ILE  28           HB       ILE  28  -2.758   6.713  -2.424
  197   1HG1  ILE  28          2HG1      ILE  28  -2.277   9.098  -2.498
  198   2HG1  ILE  28          3HG1      ILE  28  -0.863   8.185  -2.934
  199   1HG2  ILE  28          1HG2      ILE  28  -1.968   6.640  -5.373
  200   2HG2  ILE  28          2HG2      ILE  28  -1.012   6.008  -4.021
  201   3HG2  ILE  28          3HG2      ILE  28  -2.576   5.275  -4.426
  202   1HD1  ILE  28          1HD1      ILE  28  -1.091   8.790  -5.284
  203   2HD1  ILE  28          2HD1      ILE  28  -2.687   9.519  -4.990
  204   3HD1  ILE  28          3HD1      ILE  28  -1.238  10.247  -4.284
  205    H    ASP  29           H        ASP  29  -5.490   7.092  -1.723
  206    HA   ASP  29           HA       ASP  29  -6.321   4.365  -1.980
  207   1HB   ASP  29          HB2       ASP  29  -7.201   6.603  -0.137
  208   2HB   ASP  29          HB3       ASP  29  -7.801   4.955  -0.024
  209    H    ARG  30           H        ARG  30  -8.166   7.514  -2.248
  210    HA   ARG  30           HA       ARG  30 -10.567   6.196  -3.148
  211   1HB   ARG  30          HB2       ARG  30 -11.467   8.314  -3.691
  212   2HB   ARG  30          HB3       ARG  30 -10.610   8.459  -2.157
  213   1HG   ARG  30          HG2       ARG  30  -8.763   9.571  -3.215
  214   2HG   ARG  30          HG3       ARG  30  -9.475   9.410  -4.821
  215   1HD   ARG  30          HD2       ARG  30 -11.154  10.992  -4.374
  216   2HD   ARG  30          HD3       ARG  30 -11.082  10.749  -2.633
  217    HE   ARG  30           HE       ARG  30  -9.064  12.290  -4.214
  218   1HH1  ARG  30          1HH2      ARG  30 -10.075  11.247  -0.989
  219   2HH1  ARG  30          2HH2      ARG  30  -9.040  12.533  -0.310
  220   1HH2  ARG  30          2HH1      ARG  30  -7.796  13.830  -3.034
  221   2HH2  ARG  30          1HH1      ARG  30  -7.890  13.714  -1.301
  222    H    ALA  31           H        ALA  31  -7.788   7.455  -5.013
  223    HA   ALA  31           HA       ALA  31  -8.814   7.145  -7.582
  224   1HB   ALA  31          HB1       ALA  31  -5.986   6.625  -6.587
  225   2HB   ALA  31          HB2       ALA  31  -6.482   6.975  -8.261
  226   3HB   ALA  31          HB3       ALA  31  -6.678   8.211  -7.012
  227    H    LEU  32           H        LEU  32  -8.044   4.562  -5.314
  228    HA   LEU  32           HA       LEU  32  -8.529   2.518  -7.432
  229   1HB   LEU  32          HB2       LEU  32  -6.959   2.155  -4.882
  230   2HB   LEU  32          HB3       LEU  32  -7.113   1.012  -6.215
  231    HG   LEU  32           HG       LEU  32  -5.710   3.727  -6.359
  232   1HD1  LEU  32          1HD1      LEU  32  -4.746   1.962  -4.813
  233   2HD1  LEU  32          2HD1      LEU  32  -4.433   0.985  -6.255
  234   3HD1  LEU  32          3HD1      LEU  32  -3.673   2.596  -6.074
  235   1HD2  LEU  32          1HD2      LEU  32  -5.542   1.411  -8.317
  236   2HD2  LEU  32          2HD2      LEU  32  -6.557   2.849  -8.591
  237   3HD2  LEU  32          3HD2      LEU  32  -4.812   3.037  -8.471
  238    H    GLY  33           H        GLY  33 -10.327   4.135  -5.422
  239   1HA   GLY  33          HA2       GLY  33 -12.346   3.728  -4.438
  240   2HA   GLY  33          HA3       GLY  33 -12.272   2.092  -5.108
  241    H    ILE  34           H        ILE  34  -9.651   2.804  -3.020
  242    HA   ILE  34           HA       ILE  34 -10.128   0.591  -1.335
  243    HB   ILE  34           HB       ILE  34  -8.302   2.925  -0.957
  244   1HG1  ILE  34          2HG1      ILE  34  -7.577   0.021  -1.497
  245   2HG1  ILE  34          3HG1      ILE  34  -8.132   0.984  -2.850
  246   1HG2  ILE  34          1HG2      ILE  34  -7.207   1.596   0.784
  247   2HG2  ILE  34          2HG2      ILE  34  -8.865   2.045   1.244
  248   3HG2  ILE  34          3HG2      ILE  34  -8.523   0.396   0.689
  249   1HD1  ILE  34          1HD1      ILE  34  -5.794   1.858  -1.106
  250   2HD1  ILE  34          2HD1      ILE  34  -5.636   0.859  -2.561
  251   3HD1  ILE  34          3HD1      ILE  34  -6.293   2.470  -2.716
  252    HA   PRO  35           HA       PRO  35 -12.173   3.178   2.128
  253   1HB   PRO  35          HB2       PRO  35 -13.320   5.444   0.491
  254   2HB   PRO  35          HB3       PRO  35 -12.846   5.422   2.222
  255   1HG   PRO  35          HG2       PRO  35 -11.172   6.518   0.385
  256   2HG   PRO  35          HG3       PRO  35 -10.487   5.381   1.605
  257   1HD   PRO  35          HD2       PRO  35 -11.361   4.771  -1.243
  258   2HD   PRO  35          HD3       PRO  35  -9.793   4.395  -0.433
  259    H    GLU  36           H        GLU  36 -13.509   2.780  -1.162
  260    HA   GLU  36           HA       GLU  36 -16.199   2.193  -0.088
  261   1HB   GLU  36          HB2       GLU  36 -15.048   2.628  -2.814
  262   2HB   GLU  36          HB3       GLU  36 -16.219   1.319  -2.720
  263   1HG   GLU  36          HG2       GLU  36 -16.664   4.183  -1.814
  264   2HG   GLU  36          HG3       GLU  36 -17.283   3.454  -3.280
  265    H    LEU  37           H        LEU  37 -13.356   0.450  -1.307
  266    HA   LEU  37           HA       LEU  37 -14.433  -2.208  -0.959
  267   1HB   LEU  37          HB2       LEU  37 -11.564  -1.221  -0.673
  268   2HB   LEU  37          HB3       LEU  37 -12.054  -2.902  -0.822
  269    HG   LEU  37           HG       LEU  37 -12.442  -0.798  -2.987
  270   1HD1  LEU  37          1HD1      LEU  37 -10.052  -1.365  -2.580
  271   2HD1  LEU  37          2HD1      LEU  37 -10.436  -3.075  -2.792
  272   3HD1  LEU  37          3HD1      LEU  37 -10.611  -1.945  -4.150
  273   1HD2  LEU  37          1HD2      LEU  37 -12.932  -2.740  -4.453
  274   2HD2  LEU  37          2HD2      LEU  37 -12.838  -3.830  -3.062
  275   3HD2  LEU  37          3HD2      LEU  37 -14.127  -2.605  -3.154
  276    H    VAL  38           H        VAL  38 -13.128   0.087   1.309
  277    HA   VAL  38           HA       VAL  38 -13.268  -1.572   3.694
  278    HB   VAL  38           HB       VAL  38 -13.283   1.436   3.316
  279   1HG1  VAL  38          1HG1      VAL  38 -12.790   1.618   5.747
  280   2HG1  VAL  38          2HG1      VAL  38 -14.433   1.040   5.448
  281   3HG1  VAL  38          3HG1      VAL  38 -13.169  -0.107   5.941
  282   1HG2  VAL  38          1HG2      VAL  38 -11.188   0.179   2.747
  283   2HG2  VAL  38          2HG2      VAL  38 -11.043   1.375   4.024
  284   3HG2  VAL  38          3HG2      VAL  38 -11.123  -0.386   4.416
  285    H    ASN  39           H        ASN  39 -15.531   1.041   2.560
  286    HA   ASN  39           HA       ASN  39 -17.577   0.586   4.394
  287   1HB   ASN  39          HB2       ASN  39 -17.837   1.439   1.473
  288   2HB   ASN  39          HB3       ASN  39 -19.099   1.607   2.683
  289   1HD2  ASN  39          2HD2      ASN  39 -17.976   3.726   1.133
  290   2HD2  ASN  39          1HD2      ASN  39 -17.246   4.826   2.319
  291    H    GLN  40           H        GLN  40 -17.268  -0.921   1.188
  292    HA   GLN  40           HA       GLN  40 -19.571  -2.619   1.362
  293   1HB   GLN  40          HB2       GLN  40 -17.061  -2.750  -0.365
  294   2HB   GLN  40          HB3       GLN  40 -18.480  -3.793  -0.573
  295   1HG   GLN  40          HG2       GLN  40 -19.898  -1.949  -1.136
  296   2HG   GLN  40          HG3       GLN  40 -18.681  -0.759  -0.671
  297   1HE2  GLN  40          2HE2      GLN  40 -18.535   0.264  -2.702
  298   2HE2  GLN  40          1HE2      GLN  40 -17.935  -0.596  -4.122
  299    H    GLY  41           H        GLY  41 -16.484  -2.957   2.935
  300   1HA   GLY  41          HA2       GLY  41 -15.729  -4.672   4.286
  301   2HA   GLY  41          HA3       GLY  41 -17.166  -5.608   3.921
  302    H    GLN  42           H        GLN  42 -15.779  -4.755   0.967
  303    HA   GLN  42           HA       GLN  42 -14.741  -7.304   0.252
  304   1HB   GLN  42          HB2       GLN  42 -14.056  -4.543  -0.830
  305   2HB   GLN  42          HB3       GLN  42 -13.499  -6.057  -1.537
  306   1HG   GLN  42          HG2       GLN  42 -16.053  -6.688  -1.669
  307   2HG   GLN  42          HG3       GLN  42 -16.325  -4.966  -1.426
  308   1HE2  GLN  42          2HE2      GLN  42 -16.795  -4.016  -3.550
  309   2HE2  GLN  42          1HE2      GLN  42 -15.832  -4.526  -4.935
  310    H    ALA  43           H        ALA  43 -13.288  -4.608   1.914
  311    HA   ALA  43           HA       ALA  43 -10.612  -5.023   2.137
  312   1HB   ALA  43          HB1       ALA  43 -12.073  -3.386   3.406
  313   2HB   ALA  43          HB2       ALA  43 -12.504  -4.704   4.498
  314   3HB   ALA  43          HB3       ALA  43 -10.814  -4.151   4.415
  315    H    LEU  44           H        LEU  44 -13.035  -7.255   3.499
  316    HA   LEU  44           HA       LEU  44 -11.086  -8.767   5.077
  317   1HB   LEU  44          HB2       LEU  44 -14.020  -9.237   4.449
  318   2HB   LEU  44          HB3       LEU  44 -13.072 -10.159   5.611
  319    HG   LEU  44           HG       LEU  44 -13.686  -7.172   5.787
  320   1HD1  LEU  44          1HD1      LEU  44 -15.672  -8.608   6.135
  321   2HD1  LEU  44          2HD1      LEU  44 -14.807  -9.489   7.409
  322   3HD1  LEU  44          3HD1      LEU  44 -15.190  -7.769   7.614
  323   1HD2  LEU  44          1HD2      LEU  44 -12.291  -9.044   7.761
  324   2HD2  LEU  44          2HD2      LEU  44 -11.558  -7.657   6.918
  325   3HD2  LEU  44          3HD2      LEU  44 -12.819  -7.390   8.124
  326    H    GLU  45           H        GLU  45 -11.936  -8.900   1.756
  327    HA   GLU  45           HA       GLU  45 -11.641 -11.788   1.389
  328   1HB   GLU  45          HB2       GLU  45 -11.573  -9.414  -0.553
  329   2HB   GLU  45          HB3       GLU  45 -11.550 -11.099  -1.049
  330   1HG   GLU  45          HG2       GLU  45 -13.781 -11.473  -0.203
  331   2HG   GLU  45          HG3       GLU  45 -13.846  -9.847   0.487
  332    HA   PRO  46           HA       PRO  46  -7.154 -11.816   0.489
  333   1HB   PRO  46          HB2       PRO  46  -7.774 -13.000  -2.193
  334   2HB   PRO  46          HB3       PRO  46  -6.595 -13.537  -0.954
  335   1HG   PRO  46          HG2       PRO  46  -8.957 -14.838  -1.283
  336   2HG   PRO  46          HG3       PRO  46  -8.348 -14.498   0.371
  337   1HD   PRO  46          HD2       PRO  46 -10.408 -12.948  -1.230
  338   2HD   PRO  46          HD3       PRO  46 -10.483 -13.487   0.471
  339    H    LYS  47           H        LYS  47  -9.359 -10.054  -1.281
  340    HA   LYS  47           HA       LYS  47  -7.402  -8.269  -2.599
  341   1HB   LYS  47          HB2       LYS  47  -9.077  -8.060  -4.473
  342   2HB   LYS  47          HB3       LYS  47  -8.116  -9.531  -4.433
  343   1HG   LYS  47          HG2       LYS  47  -9.885 -10.931  -4.050
  344   2HG   LYS  47          HG3       LYS  47 -10.719  -9.810  -3.009
  345   1HD   LYS  47          HD2       LYS  47 -10.651  -9.620  -6.057
  346   2HD   LYS  47          HD3       LYS  47 -11.932 -10.351  -5.093
  347   1HE   LYS  47          HE2       LYS  47 -11.142  -7.413  -5.145
  348   2HE   LYS  47          HE3       LYS  47 -12.602  -8.167  -5.811
  349   1HZ   LYS  47          HZ1       LYS  47 -13.236  -7.274  -3.742
  350   2HZ   LYS  47          HZ2       LYS  47 -13.015  -8.851  -3.398
  351   3HZ   LYS  47          HZ3       LYS  47 -11.848  -7.785  -3.010
  352    HT1  PRO  48           H2       PRO  48  15.407  -6.569 -12.483
  353    HT2  PRO  48           H3       PRO  48  15.130  -5.433 -13.663
  354    HA   PRO  48           HA       PRO  48  13.804  -5.831 -11.091
  355   1HB   PRO  48          HB2       PRO  48  13.217  -3.374 -12.719
  356   2HB   PRO  48          HB3       PRO  48  13.194  -3.599 -10.955
  357   1HG   PRO  48          HG2       PRO  48  15.392  -2.720 -12.705
  358   2HG   PRO  48          HG3       PRO  48  15.431  -2.821 -10.919
  359   1HD   PRO  48          HD2       PRO  48  16.944  -4.486 -12.466
  360   2HD   PRO  48          HD3       PRO  48  16.184  -5.048 -10.958
  361    H    ASN  49           H        ASN  49  13.455  -7.809 -12.568
  362    HA   ASN  49           HA       ASN  49  11.326  -7.359 -14.613
  363   1HB   ASN  49          HB2       ASN  49  13.468  -8.142 -15.473
  364   2HB   ASN  49          HB3       ASN  49  13.424  -9.543 -14.392
  365   1HD2  ASN  49          2HD2      ASN  49  12.008 -11.370 -14.972
  366   2HD2  ASN  49          1HD2      ASN  49  11.133 -11.276 -16.512
  367    H    ARG  50           H        ARG  50  12.330 -10.001 -12.369
  368    HA   ARG  50           HA       ARG  50   9.473 -10.746 -12.110
  369   1HB   ARG  50          HB2       ARG  50  10.992 -12.689 -12.437
  370   2HB   ARG  50          HB3       ARG  50  11.981 -12.149 -11.078
  371   1HG   ARG  50          HG2       ARG  50  10.513 -13.979 -10.367
  372   2HG   ARG  50          HG3       ARG  50  10.097 -12.488  -9.531
  373   1HD   ARG  50          HD2       ARG  50   8.253 -12.213 -11.384
  374   2HD   ARG  50          HD3       ARG  50   8.588 -13.888 -11.769
  375    HE   ARG  50           HE       ARG  50   7.648 -14.535  -9.680
  376   1HH1  ARG  50          1HH2      ARG  50   7.855 -10.991  -9.564
  377   2HH1  ARG  50          2HH2      ARG  50   6.657 -10.948  -8.313
  378   1HH2  ARG  50          1HH1      ARG  50   6.269 -14.331  -8.101
  379   2HH2  ARG  50          2HH1      ARG  50   5.508 -12.773  -7.727
  380    H    SER  51           H        SER  51  12.283  -9.605 -10.308
  381    HA   SER  51           HA       SER  51  10.611  -8.769  -7.987
  382   1HB   SER  51          HB2       SER  51  13.584  -8.200  -8.488
  383   2HB   SER  51          HB3       SER  51  12.685  -7.904  -7.014
  384    HG   SER  51           HG       SER  51  13.685  -9.843  -6.732
  385    H    ILE  52           H        ILE  52   9.335  -7.045  -8.635
  386    HA   ILE  52           HA       ILE  52  10.301  -5.337 -10.868
  387    HB   ILE  52           HB       ILE  52   7.600  -4.817  -9.751
  388   1HG1  ILE  52          2HG1      ILE  52   6.660  -6.669 -11.323
  389   2HG1  ILE  52          3HG1      ILE  52   8.179  -7.490 -11.090
  390   1HG2  ILE  52          1HG2      ILE  52   8.703  -5.292 -12.567
  391   2HG2  ILE  52          2HG2      ILE  52   7.116  -4.601 -12.178
  392   3HG2  ILE  52          3HG2      ILE  52   8.586  -3.708 -11.758
  393   1HD1  ILE  52          1HD1      ILE  52   7.685  -7.728  -8.684
  394   2HD1  ILE  52          2HD1      ILE  52   6.302  -6.607  -8.827
  395   3HD1  ILE  52          3HD1      ILE  52   6.247  -8.201  -9.591
  396    H    SER  53           H        SER  53   9.761  -5.286  -7.459
  397    HA   SER  53           HA       SER  53   9.993  -2.388  -7.205
  398   1HB   SER  53          HB2       SER  53   9.728  -2.899  -4.731
  399   2HB   SER  53          HB3       SER  53   8.382  -3.401  -5.775
  400    HG   SER  53           HG       SER  53   9.262  -5.498  -5.677
  401    HA   PRO  54           HA       PRO  54  14.264  -3.159  -5.344
  402   1HB   PRO  54          HB2       PRO  54  16.180  -3.717  -7.197
  403   2HB   PRO  54          HB3       PRO  54  15.295  -4.987  -6.298
  404   1HG   PRO  54          HG2       PRO  54  14.639  -3.869  -9.030
  405   2HG   PRO  54          HG3       PRO  54  14.830  -5.599  -8.588
  406   1HD   PRO  54          HD2       PRO  54  12.428  -4.394  -8.741
  407   2HD   PRO  54          HD3       PRO  54  12.735  -5.606  -7.457
  408    H    SER  55           H        SER  55  13.060  -1.733  -8.289
  409    HA   SER  55           HA       SER  55  14.742   0.682  -8.144
  410   1HB   SER  55          HB2       SER  55  13.049   1.427  -9.912
  411   2HB   SER  55          HB3       SER  55  13.973  -0.023 -10.362
  412    HG   SER  55           HG       SER  55  11.669  -0.201 -10.695
  413    H    ALA  56           H        ALA  56  11.257  -0.092  -7.703
  414    HA   ALA  56           HA       ALA  56  10.473   2.346  -6.532
  415   1HB   ALA  56          HB1       ALA  56   8.980   0.585  -7.433
  416   2HB   ALA  56          HB2       ALA  56   9.346  -0.431  -6.025
  417   3HB   ALA  56          HB3       ALA  56   8.481   1.111  -5.828
  418    H    LEU  57           H        LEU  57  11.989  -0.484  -5.017
  419    HA   LEU  57           HA       LEU  57  11.951   0.159  -2.304
  420   1HB   LEU  57          HB2       LEU  57  12.673  -1.974  -3.216
  421   2HB   LEU  57          HB3       LEU  57  13.889  -1.182  -4.203
  422    HG   LEU  57           HG       LEU  57  15.219  -0.685  -2.138
  423   1HD1  LEU  57          1HD1      LEU  57  13.382  -0.981  -0.460
  424   2HD1  LEU  57          2HD1      LEU  57  13.286  -2.705  -0.911
  425   3HD1  LEU  57          3HD1      LEU  57  14.751  -2.063  -0.154
  426   1HD2  LEU  57          1HD2      LEU  57  14.575  -3.541  -2.984
  427   2HD2  LEU  57          2HD2      LEU  57  15.763  -2.460  -3.711
  428   3HD2  LEU  57          3HD2      LEU  57  16.021  -3.067  -2.057
  429    H    GLN  58           H        GLN  58  13.665   1.792  -4.913
  430    HA   GLN  58           HA       GLN  58  15.095   3.511  -2.939
  431   1HB   GLN  58          HB2       GLN  58  15.292   3.371  -5.966
  432   2HB   GLN  58          HB3       GLN  58  16.244   4.410  -4.917
  433   1HG   GLN  58          HG2       GLN  58  17.481   2.629  -4.034
  434   2HG   GLN  58          HG3       GLN  58  16.313   1.387  -4.499
  435   1HE2  GLN  58          2HE2      GLN  58  16.581   0.284  -6.518
  436   2HE2  GLN  58          1HE2      GLN  58  17.818   0.887  -7.644
  437    H    ASP  59           H        ASP  59  13.067   3.759  -5.895
  438    HA   ASP  59           HA       ASP  59  12.517   6.525  -5.398
  439   1HB   ASP  59          HB2       ASP  59  12.665   4.917  -7.644
  440   2HB   ASP  59          HB3       ASP  59  10.933   5.210  -7.535
  441    H    LEU  60           H        LEU  60  10.382   3.720  -4.859
  442    HA   LEU  60           HA       LEU  60   8.073   5.487  -4.452
  443   1HB   LEU  60          HB2       LEU  60   7.826   3.313  -5.512
  444   2HB   LEU  60          HB3       LEU  60   8.331   2.506  -4.032
  445    HG   LEU  60           HG       LEU  60   6.349   3.071  -2.885
  446   1HD1  LEU  60          1HD1      LEU  60   6.017   5.435  -3.394
  447   2HD1  LEU  60          2HD1      LEU  60   5.685   5.063  -5.107
  448   3HD1  LEU  60          3HD1      LEU  60   4.583   4.507  -3.827
  449   1HD2  LEU  60          1HD2      LEU  60   6.071   1.349  -4.619
  450   2HD2  LEU  60          2HD2      LEU  60   4.570   2.274  -4.397
  451   3HD2  LEU  60          3HD2      LEU  60   5.592   2.589  -5.802
  452    H    LEU  61           H        LEU  61  10.495   3.563  -2.712
  453    HA   LEU  61           HA       LEU  61   9.604   3.983  -0.080
  454   1HB   LEU  61          HB2       LEU  61  11.296   2.300  -0.914
  455   2HB   LEU  61          HB3       LEU  61  12.469   3.596  -1.046
  456    HG   LEU  61           HG       LEU  61  12.386   3.964   1.401
  457   1HD1  LEU  61          1HD1      LEU  61  10.335   1.720   1.344
  458   2HD1  LEU  61          2HD1      LEU  61  11.174   2.184   2.823
  459   3HD1  LEU  61          3HD1      LEU  61  10.149   3.368   2.009
  460   1HD2  LEU  61          1HD2      LEU  61  12.778   1.063   0.587
  461   2HD2  LEU  61          2HD2      LEU  61  14.009   2.341   0.589
  462   3HD2  LEU  61          3HD2      LEU  61  13.340   1.738   2.119
  463    H    ARG  62           H        ARG  62  12.132   5.983  -1.902
  464    HA   ARG  62           HA       ARG  62  12.218   7.997   0.111
  465   1HB   ARG  62          HB2       ARG  62  13.282   9.412  -1.445
  466   2HB   ARG  62          HB3       ARG  62  13.843   7.790  -1.828
  467   1HG   ARG  62          HG2       ARG  62  12.177   7.678  -3.656
  468   2HG   ARG  62          HG3       ARG  62  11.683   9.358  -3.310
  469   1HD   ARG  62          HD2       ARG  62  13.989  10.122  -3.856
  470   2HD   ARG  62          HD3       ARG  62  14.419   8.457  -4.262
  471    HE   ARG  62           HE       ARG  62  13.247   8.620  -6.269
  472   1HH1  ARG  62          1HH1      ARG  62  12.376  11.465  -4.461
  473   2HH1  ARG  62          2HH1      ARG  62  11.217  11.991  -5.673
  474   1HH2  ARG  62          1HH2      ARG  62  11.607   9.184  -7.623
  475   2HH2  ARG  62          2HH2      ARG  62  10.873  10.744  -7.501
  476    H    THR  63           H        THR  63   9.988   7.562  -2.599
  477    HA   THR  63           HA       THR  63   8.631   9.994  -2.488
  478    HB   THR  63           HB       THR  63   7.843   7.234  -3.474
  479    HG1  THR  63           HG1      THR  63   9.153   8.099  -4.822
  480   1HG2  THR  63          1HG2      THR  63   6.040   9.632  -3.668
  481   2HG2  THR  63          2HG2      THR  63   5.982   8.222  -4.738
  482   3HG2  THR  63          3HG2      THR  63   5.689   8.001  -3.009
  483    H    LEU  64           H        LEU  64   7.983   7.118  -0.478
  484    HA   LEU  64           HA       LEU  64   5.987   8.842   0.926
  485   1HB   LEU  64          HB2       LEU  64   5.790   6.141   0.151
  486   2HB   LEU  64          HB3       LEU  64   6.063   6.140   1.900
  487    HG   LEU  64           HG       LEU  64   4.210   8.050   1.905
  488   1HD1  LEU  64          1HD1      LEU  64   3.567   6.576  -0.708
  489   2HD1  LEU  64          2HD1      LEU  64   2.526   7.758   0.098
  490   3HD1  LEU  64          3HD1      LEU  64   4.072   8.268  -0.589
  491   1HD2  LEU  64          1HD2      LEU  64   3.513   6.241   3.098
  492   2HD2  LEU  64          2HD2      LEU  64   2.509   5.919   1.668
  493   3HD2  LEU  64          3HD2      LEU  64   4.063   5.097   1.879
  494    H    LYS  65           H        LYS  65   9.230   7.686   1.400
  495    HA   LYS  65           HA       LYS  65   9.344   8.072   4.244
  496   1HB   LYS  65          HB2       LYS  65  11.322   8.254   1.966
  497   2HB   LYS  65          HB3       LYS  65  11.767   9.002   3.496
  498   1HG   LYS  65          HG2       LYS  65  11.402   6.919   4.707
  499   2HG   LYS  65          HG3       LYS  65  10.890   6.092   3.232
  500   1HD   LYS  65          HD2       LYS  65  13.078   6.210   2.264
  501   2HD   LYS  65          HD3       LYS  65  13.607   7.422   3.439
  502   1HE   LYS  65          HE2       LYS  65  14.586   5.250   3.992
  503   2HE   LYS  65          HE3       LYS  65  13.492   5.807   5.257
  504   1HZ   LYS  65          HZ1       LYS  65  11.809   4.334   4.385
  505   2HZ   LYS  65          HZ2       LYS  65  12.795   3.835   3.171
  506   3HZ   LYS  65          HZ3       LYS  65  13.148   3.470   4.739
  507    H    SER  66           H        SER  66   9.431  10.373   1.489
  508    HA   SER  66           HA       SER  66   9.107  12.722   3.259
  509   1HB   SER  66          HB2       SER  66   8.347  13.787   1.081
  510   2HB   SER  66          HB3       SER  66   9.991  13.110   1.003
  511    HG   SER  66           HG       SER  66   7.776  11.542   0.295
  512    HA   PRO  67           HA       PRO  67   5.241  10.609   3.949
  513   1HB   PRO  67          HB2       PRO  67   4.009  12.120   5.879
  514   2HB   PRO  67          HB3       PRO  67   5.476  11.164   6.213
  515   1HG   PRO  67          HG2       PRO  67   5.312  14.109   5.506
  516   2HG   PRO  67          HG3       PRO  67   6.211  13.355   6.854
  517   1HD   PRO  67          HD2       PRO  67   7.337  14.021   4.457
  518   2HD   PRO  67          HD3       PRO  67   7.910  12.573   5.366
  519    H    SER  68           H        SER  68   2.976  10.713   3.925
  520    HA   SER  68           HA       SER  68   2.232  11.476   1.385
  521   1HB   SER  68          HB2       SER  68   0.187  10.533   1.741
  522   2HB   SER  68          HB3       SER  68   1.286   9.655   2.817
  523    HG   SER  68           HG       SER  68   0.213  10.376   4.478
  524    H    SER  69           H        SER  69   1.891  13.456   4.219
  525    HA   SER  69           HA       SER  69  -0.197  15.133   3.575
  526   1HB   SER  69          HB2       SER  69   0.872  15.306   5.709
  527   2HB   SER  69          HB3       SER  69   2.408  15.799   4.982
  528    HG   SER  69           HG       SER  69  -0.032  17.258   5.026
  529    HA   PRO  70           HA       PRO  70   2.001  17.947   0.490
  530   1HB   PRO  70          HB2       PRO  70   4.677  17.780  -0.088
  531   2HB   PRO  70          HB3       PRO  70   4.051  18.734   1.282
  532   1HG   PRO  70          HG2       PRO  70   5.100  15.884   1.354
  533   2HG   PRO  70          HG3       PRO  70   5.583  17.265   2.402
  534   1HD   PRO  70          HD2       PRO  70   3.749  15.469   3.233
  535   2HD   PRO  70          HD3       PRO  70   3.522  17.216   3.565
  536    H    GLN  71           H        GLN  71   2.903  14.583   0.712
  537    HA   GLN  71           HA       GLN  71   3.423  14.208  -2.145
  538   1HB   GLN  71          HB2       GLN  71   3.761  12.461   0.329
  539   2HB   GLN  71          HB3       GLN  71   3.949  11.802  -1.281
  540   1HG   GLN  71          HG2       GLN  71   5.441  14.299  -0.405
  541   2HG   GLN  71          HG3       GLN  71   6.053  12.675  -0.135
  542   1HE2  GLN  71          2HE2      GLN  71   6.709  11.392  -1.954
  543   2HE2  GLN  71          1HE2      GLN  71   7.077  12.231  -3.491
  544    H    GLN  72           H        GLN  72   0.589  14.659  -0.993
  545    HA   GLN  72           HA       GLN  72  -0.944  12.345  -1.348
  546   1HB   GLN  72          HB2       GLN  72  -2.814  13.691  -0.984
  547   2HB   GLN  72          HB3       GLN  72  -1.524  14.598  -0.227
  548   1HG   GLN  72          HG2       GLN  72  -2.593  16.302  -1.238
  549   2HG   GLN  72          HG3       GLN  72  -1.475  15.916  -2.524
  550   1HE2  GLN  72          2HE2      GLN  72  -4.818  14.453  -1.572
  551   2HE2  GLN  72          1HE2      GLN  72  -5.363  14.712  -3.190
  552    H    GLN  73           H        GLN  73   0.783  13.337  -3.850
  553    HA   GLN  73           HA       GLN  73  -1.427  13.255  -5.816
  554   1HB   GLN  73          HB2       GLN  73   1.078  14.876  -5.546
  555   2HB   GLN  73          HB3       GLN  73   0.710  14.375  -7.175
  556   1HG   GLN  73          HG2       GLN  73  -1.145  15.890  -5.325
  557   2HG   GLN  73          HG3       GLN  73  -0.295  16.548  -6.737
  558   1HE2  GLN  73          1HE2      GLN  73  -3.324  15.552  -5.806
  559   2HE2  GLN  73          2HE2      GLN  73  -3.899  14.989  -7.371
  560    H    GLN  74           H        GLN  74  -0.695  12.836  -7.997
  561    HA   GLN  74           HA       GLN  74  -0.564  10.162  -8.525
  562   1HB   GLN  74          HB2       GLN  74  -0.192  10.859 -10.830
  563   2HB   GLN  74          HB3       GLN  74  -1.345  11.917 -10.013
  564   1HG   GLN  74          HG2       GLN  74   0.772  13.464  -9.578
  565   2HG   GLN  74          HG3       GLN  74   1.497  12.496 -10.857
  566   1HE2  GLN  74          2HE2      GLN  74  -1.284  14.655 -10.051
  567   2HE2  GLN  74          1HE2      GLN  74  -1.474  15.167 -11.741
  568    H    GLN  75           H        GLN  75   2.293  11.853  -7.416
  569    HA   GLN  75           HA       GLN  75   4.166  10.275  -8.985
  570   1HB   GLN  75          HB2       GLN  75   5.853  11.392  -7.965
  571   2HB   GLN  75          HB3       GLN  75   4.586  12.600  -7.935
  572   1HG   GLN  75          HG2       GLN  75   5.648  10.901  -5.649
  573   2HG   GLN  75          HG3       GLN  75   5.784  12.650  -5.825
  574   1HE2  GLN  75          2HE2      GLN  75   4.561  10.899  -3.640
  575   2HE2  GLN  75          1HE2      GLN  75   2.899  11.433  -3.509
  576    H    VAL  76           H        VAL  76   2.315   9.600  -6.097
  577    HA   VAL  76           HA       VAL  76   4.019   7.257  -5.459
  578    HB   VAL  76           HB       VAL  76   1.065   7.341  -4.763
  579   1HG1  VAL  76          1HG1      VAL  76   2.560   5.364  -4.335
  580   2HG1  VAL  76          2HG1      VAL  76   3.535   6.427  -3.273
  581   3HG1  VAL  76          3HG1      VAL  76   1.845   6.042  -2.855
  582   1HG2  VAL  76          1HG2      VAL  76   1.518   8.335  -2.590
  583   2HG2  VAL  76          2HG2      VAL  76   3.145   8.796  -3.144
  584   3HG2  VAL  76          3HG2      VAL  76   1.663   9.499  -3.907
  585    H    LEU  77           H        LEU  77   0.905   7.861  -7.048
  586    HA   LEU  77           HA       LEU  77   0.351   5.232  -7.702
  587   1HB   LEU  77          HB2       LEU  77  -1.009   7.561  -7.827
  588   2HB   LEU  77          HB3       LEU  77  -0.782   7.289  -9.547
  589    HG   LEU  77           HG       LEU  77  -1.926   5.275  -7.552
  590   1HD1  LEU  77          1HD1      LEU  77  -4.114   5.774  -8.502
  591   2HD1  LEU  77          2HD1      LEU  77  -3.385   7.232  -7.819
  592   3HD1  LEU  77          3HD1      LEU  77  -3.385   7.001  -9.580
  593   1HD2  LEU  77          1HD2      LEU  77  -2.765   4.074  -9.545
  594   2HD2  LEU  77          2HD2      LEU  77  -1.816   5.170 -10.577
  595   3HD2  LEU  77          3HD2      LEU  77  -1.002   4.076  -9.428
  596    H    ASN  78           H        ASN  78   2.060   7.707  -9.568
  597    HA   ASN  78           HA       ASN  78   2.526   6.313 -11.937
  598   1HB   ASN  78          HB2       ASN  78   2.866   8.771 -11.538
  599   2HB   ASN  78          HB3       ASN  78   4.345   8.388 -10.646
  600   1HD2  ASN  78          2HD2      ASN  78   6.107   8.879 -12.007
  601   2HD2  ASN  78          1HD2      ASN  78   6.088   8.471 -13.727
  602    H    ILE  79           H        ILE  79   4.257   5.917  -8.803
  603    HA   ILE  79           HA       ILE  79   6.230   4.169 -10.153
  604    HB   ILE  79           HB       ILE  79   6.101   4.815  -7.225
  605   1HG1  ILE  79          2HG1      ILE  79   8.035   6.002  -9.266
  606   2HG1  ILE  79          3HG1      ILE  79   6.542   6.850  -8.843
  607   1HG2  ILE  79          1HG2      ILE  79   7.288   2.734  -7.761
  608   2HG2  ILE  79          2HG2      ILE  79   8.141   3.501  -9.108
  609   3HG2  ILE  79          3HG2      ILE  79   8.535   3.974  -7.467
  610   1HD1  ILE  79          1HD1      ILE  79   7.206   6.873  -6.468
  611   2HD1  ILE  79          2HD1      ILE  79   8.769   6.166  -6.948
  612   3HD1  ILE  79          3HD1      ILE  79   8.301   7.768  -7.539
  613    H    LEU  80           H        LEU  80   3.593   4.017  -7.748
  614    HA   LEU  80           HA       LEU  80   3.281   1.368  -7.101
  615   1HB   LEU  80          HB2       LEU  80   1.451   3.633  -7.738
  616   2HB   LEU  80          HB3       LEU  80   0.700   2.061  -7.556
  617    HG   LEU  80           HG       LEU  80   2.439   3.242  -5.356
  618   1HD1  LEU  80          1HD1      LEU  80   0.601   4.830  -5.624
  619   2HD1  LEU  80          2HD1      LEU  80  -0.584   3.501  -5.787
  620   3HD1  LEU  80          3HD1      LEU  80   0.250   3.800  -4.250
  621   1HD2  LEU  80          1HD2      LEU  80   0.130   1.256  -5.400
  622   2HD2  LEU  80          2HD2      LEU  80   1.838   0.761  -5.421
  623   3HD2  LEU  80          3HD2      LEU  80   1.202   1.653  -4.015
  624    H    LYS  81           H        LYS  81   1.766   2.803 -10.049
  625    HA   LYS  81           HA       LYS  81   0.800   0.267 -10.933
  626   1HB   LYS  81          HB2       LYS  81  -0.338   1.330 -12.471
  627   2HB   LYS  81          HB3       LYS  81   0.081   2.756 -11.556
  628   1HG   LYS  81          HG2       LYS  81   1.497   1.751 -14.089
  629   2HG   LYS  81          HG3       LYS  81   0.282   3.010 -14.030
  630   1HD   LYS  81          HD2       LYS  81   1.698   4.508 -12.810
  631   2HD   LYS  81          HD3       LYS  81   2.895   3.229 -12.513
  632   1HE   LYS  81          HE2       LYS  81   3.281   2.991 -14.921
  633   2HE   LYS  81          HE3       LYS  81   2.122   4.292 -15.255
  634   1HZ   LYS  81          HZ1       LYS  81   4.465   4.748 -13.530
  635   2HZ   LYS  81          HZ2       LYS  81   4.598   4.900 -15.169
  636   3HZ   LYS  81          HZ3       LYS  81   3.608   5.848 -14.286
  637    H    SER  82           H        SER  82   3.986   1.321 -11.118
  638    HA   SER  82           HA       SER  82   4.690  -0.349 -13.467
  639   1HB   SER  82          HB2       SER  82   6.915   0.388 -13.150
  640   2HB   SER  82          HB3       SER  82   5.909   1.824 -12.885
  641    HG   SER  82           HG       SER  82   6.153   1.393 -10.598
  642    H    ASN  83           H        ASN  83   3.956  -1.062 -10.234
  643    HA   ASN  83           HA       ASN  83   5.613  -3.563 -10.309
  644   1HB   ASN  83          HB2       ASN  83   5.190  -1.542  -8.064
  645   2HB   ASN  83          HB3       ASN  83   5.785  -3.201  -7.814
  646   1HD2  ASN  83          2HD2      ASN  83   7.262  -2.032 -10.712
  647   2HD2  ASN  83          1HD2      ASN  83   8.776  -1.857  -9.815
  648    HA   PRO  84           HA       PRO  84   1.152  -4.449 -10.200
  649   1HB   PRO  84          HB2       PRO  84   2.314  -7.138 -10.957
  650   2HB   PRO  84          HB3       PRO  84   0.829  -6.329 -11.554
  651   1HG   PRO  84          HG2       PRO  84   3.069  -6.228 -13.044
  652   2HG   PRO  84          HG3       PRO  84   2.087  -4.737 -12.819
  653   1HD   PRO  84          HD2       PRO  84   4.617  -5.536 -11.426
  654   2HD   PRO  84          HD3       PRO  84   4.131  -3.949 -12.085
  655    H    GLN  85           H        GLN  85   3.582  -6.681  -8.727
  656    HA   GLN  85           HA       GLN  85   1.778  -7.777  -6.797
  657   1HB   GLN  85          HB2       GLN  85   4.823  -7.511  -6.652
  658   2HB   GLN  85          HB3       GLN  85   3.794  -8.483  -5.581
  659   1HG   GLN  85          HG2       GLN  85   2.938  -9.648  -7.728
  660   2HG   GLN  85          HG3       GLN  85   4.353  -8.958  -8.517
  661   1HE2  GLN  85          2HE2      GLN  85   6.603  -9.439  -6.547
  662   2HE2  GLN  85          1HE2      GLN  85   6.391 -11.073  -6.082
  663    H    LEU  86           H        LEU  86   3.985  -4.930  -6.585
  664    HA   LEU  86           HA       LEU  86   3.310  -4.379  -3.820
  665   1HB   LEU  86          HB2       LEU  86   5.401  -3.683  -4.915
  666   2HB   LEU  86          HB3       LEU  86   4.518  -2.570  -5.963
  667    HG   LEU  86           HG       LEU  86   5.786  -1.651  -3.989
  668   1HD1  LEU  86          1HD1      LEU  86   2.882  -0.805  -4.142
  669   2HD1  LEU  86          2HD1      LEU  86   4.246   0.132  -3.530
  670   3HD1  LEU  86          3HD1      LEU  86   4.186  -0.322  -5.257
  671   1HD2  LEU  86          1HD2      LEU  86   4.665  -1.470  -1.814
  672   2HD2  LEU  86          2HD2      LEU  86   3.409  -2.596  -2.337
  673   3HD2  LEU  86          3HD2      LEU  86   5.101  -3.140  -2.186
  674    H    MET  87           H        MET  87   1.980  -3.333  -6.967
  675    HA   MET  87           HA       MET  87   0.123  -1.465  -5.913
  676   1HB   MET  87          HB2       MET  87   0.812  -2.456  -8.484
  677   2HB   MET  87          HB3       MET  87  -0.897  -2.847  -8.302
  678   1HG   MET  87          HG2       MET  87   0.315  -0.123  -7.717
  679   2HG   MET  87          HG3       MET  87  -0.407  -0.560  -9.255
  680   1HE   MET  87          HE1       MET  87  -1.639   1.561  -9.105
  681   2HE   MET  87          HE2       MET  87  -3.092   1.846  -8.112
  682   3HE   MET  87          HE3       MET  87  -1.498   2.064  -7.392
  683    H    ALA  88           H        ALA  88  -0.403  -4.995  -6.643
  684    HA   ALA  88           HA       ALA  88  -3.049  -5.011  -5.504
  685   1HB   ALA  88          HB1       ALA  88  -0.975  -7.247  -5.809
  686   2HB   ALA  88          HB2       ALA  88  -2.705  -7.467  -5.472
  687   3HB   ALA  88          HB3       ALA  88  -2.175  -6.770  -7.023
  688    H    ALA  89           H        ALA  89   0.177  -5.660  -3.986
  689    HA   ALA  89           HA       ALA  89  -0.876  -6.178  -1.388
  690   1HB   ALA  89          HB1       ALA  89   1.807  -4.982  -2.141
  691   2HB   ALA  89          HB2       ALA  89   1.362  -5.817  -0.637
  692   3HB   ALA  89          HB3       ALA  89   1.419  -6.720  -2.161
  693    H    PHE  90           H        PHE  90   0.048  -3.037  -2.914
  694    HA   PHE  90           HA       PHE  90  -0.526  -1.305  -0.776
  695   1HB   PHE  90          HB2       PHE  90   0.542  -0.525  -2.792
  696   2HB   PHE  90          HB3       PHE  90  -0.871  -0.889  -3.774
  697    HD1  PHE  90           HD1      PHE  90   0.271   1.214  -0.899
  698    HD2  PHE  90           HD2      PHE  90  -2.529   0.832  -4.168
  699    HE1  PHE  90           HE1      PHE  90  -0.361   3.592  -0.653
  700    HE2  PHE  90           HE2      PHE  90  -3.231   3.188  -3.793
  701    HZ   PHE  90           HZ       PHE  90  -2.106   4.567  -2.069
  702    H    ILE  91           H        ILE  91  -2.752  -2.299  -3.491
  703    HA   ILE  91           HA       ILE  91  -5.041  -1.118  -2.408
  704    HB   ILE  91           HB       ILE  91  -4.776  -3.550  -4.198
  705   1HG1  ILE  91          2HG1      ILE  91  -5.585  -0.670  -4.766
  706   2HG1  ILE  91          3HG1      ILE  91  -3.941  -1.264  -4.970
  707   1HG2  ILE  91          1HG2      ILE  91  -6.997  -3.682  -3.089
  708   2HG2  ILE  91          2HG2      ILE  91  -7.304  -1.971  -3.475
  709   3HG2  ILE  91          3HG2      ILE  91  -7.192  -3.195  -4.753
  710   1HD1  ILE  91          1HD1      ILE  91  -4.980  -1.196  -7.119
  711   2HD1  ILE  91          2HD1      ILE  91  -4.766  -2.908  -6.670
  712   3HD1  ILE  91          3HD1      ILE  91  -6.375  -2.133  -6.583
  713    H    LYS  92           H        LYS  92  -3.942  -4.496  -1.904
  714    HA   LYS  92           HA       LYS  92  -5.988  -5.276  -0.116
  715   1HB   LYS  92          HB2       LYS  92  -4.457  -6.784  -1.356
  716   2HB   LYS  92          HB3       LYS  92  -3.094  -6.243  -0.381
  717   1HG   LYS  92          HG2       LYS  92  -3.843  -8.395   0.316
  718   2HG   LYS  92          HG3       LYS  92  -4.121  -7.249   1.631
  719   1HD   LYS  92          HD2       LYS  92  -6.344  -7.893  -0.315
  720   2HD   LYS  92          HD3       LYS  92  -5.962  -9.058   0.951
  721   1HE   LYS  92          HE2       LYS  92  -6.466  -7.545   2.720
  722   2HE   LYS  92          HE3       LYS  92  -6.541  -6.158   1.621
  723   1HZ   LYS  92          HZ1       LYS  92  -8.404  -8.436   1.490
  724   2HZ   LYS  92          HZ2       LYS  92  -8.754  -7.050   2.233
  725   3HZ   LYS  92          HZ3       LYS  92  -8.456  -7.088   0.595
  726    H    GLN  93           H        GLN  93  -2.612  -4.247   0.745
  727    HA   GLN  93           HA       GLN  93  -3.253  -4.353   3.523
  728   1HB   GLN  93          HB2       GLN  93  -1.004  -4.776   2.467
  729   2HB   GLN  93          HB3       GLN  93  -0.825  -3.059   2.271
  730   1HG   GLN  93          HG2       GLN  93  -0.026  -4.684   4.397
  731   2HG   GLN  93          HG3       GLN  93   0.067  -2.942   4.353
  732   1HE2  GLN  93          2HE2      GLN  93  -1.003  -1.869   6.206
  733   2HE2  GLN  93          1HE2      GLN  93  -2.221  -2.773   7.099
  734    H    ARG  94           H        ARG  94  -3.279  -1.559   1.204
  735    HA   ARG  94           HA       ARG  94  -3.730   0.460   3.201
  736   1HB   ARG  94          HB2       ARG  94  -4.749   0.243   0.348
  737   2HB   ARG  94          HB3       ARG  94  -5.015   1.632   1.374
  738   1HG   ARG  94          HG2       ARG  94  -2.273   0.669   0.476
  739   2HG   ARG  94          HG3       ARG  94  -3.206   2.007  -0.206
  740   1HD   ARG  94          HD2       ARG  94  -2.027   1.799   2.581
  741   2HD   ARG  94          HD3       ARG  94  -1.419   2.777   1.251
  742    HE   ARG  94           HE       ARG  94  -3.938   3.763   1.497
  743   1HH1  ARG  94          2HH1      ARG  94  -1.205   3.670   3.637
  744   2HH1  ARG  94          1HH1      ARG  94  -1.980   4.701   4.833
  745   1HH2  ARG  94          1HH2      ARG  94  -4.584   5.402   2.861
  746   2HH2  ARG  94          2HH2      ARG  94  -3.694   5.702   4.377
  747    H    THR  95           H        THR  95  -6.063  -1.601   1.339
  748    HA   THR  95           HA       THR  95  -8.367  -0.588   2.674
  749    HB   THR  95           HB       THR  95  -8.328  -3.443   1.736
  750    HG1  THR  95           HG1      THR  95  -7.410  -2.301  -0.021
  751   1HG2  THR  95          1HG2      THR  95 -10.345  -2.228   2.750
  752   2HG2  THR  95          2HG2      THR  95 -10.279  -1.147   1.339
  753   3HG2  THR  95          3HG2      THR  95 -10.606  -2.871   1.094
  754    H    ALA  96           H        ALA  96  -6.272  -3.360   3.519
  755    HA   ALA  96           HA       ALA  96  -7.636  -4.137   5.895
  756   1HB   ALA  96          HB1       ALA  96  -4.682  -4.336   5.198
  757   2HB   ALA  96          HB2       ALA  96  -5.510  -5.244   6.470
  758   3HB   ALA  96          HB3       ALA  96  -5.936  -5.518   4.773
  759    H    LYS  97           H        LYS  97  -4.893  -1.824   5.490
  760    HA   LYS  97           HA       LYS  97  -4.594  -1.080   8.175
  761   1HB   LYS  97          HB2       LYS  97  -3.036   0.315   7.439
  762   2HB   LYS  97          HB3       LYS  97  -3.324  -0.347   5.859
  763   1HG   LYS  97          HG2       LYS  97  -3.304   1.864   5.382
  764   2HG   LYS  97          HG3       LYS  97  -5.039   1.597   5.533
  765   1HD   LYS  97          HD2       LYS  97  -4.516   2.272   8.092
  766   2HD   LYS  97          HD3       LYS  97  -3.139   3.059   7.288
  767   1HE   LYS  97          HE2       LYS  97  -4.615   4.393   5.921
  768   2HE   LYS  97          HE3       LYS  97  -6.019   3.408   6.345
  769   1HZ   LYS  97          HZ1       LYS  97  -5.907   4.230   8.576
  770   2HZ   LYS  97          HZ2       LYS  97  -4.527   5.061   8.285
  771   3HZ   LYS  97          HZ3       LYS  97  -5.931   5.532   7.584
  772    H    TYR  98           H        TYR  98  -6.873   0.232   5.812
  773    HA   TYR  98           HA       TYR  98  -8.101   2.096   7.612
  774   1HB   TYR  98          HB2       TYR  98  -9.110   0.689   5.120
  775   2HB   TYR  98          HB3       TYR  98 -10.160   1.699   6.120
  776    HD1  TYR  98           HD1      TYR  98  -9.130   4.074   6.752
  777    HD2  TYR  98           HD2      TYR  98  -8.110   1.644   3.376
  778    HE1  TYR  98           HE1      TYR  98  -8.383   6.127   5.511
  779    HE2  TYR  98           HE2      TYR  98  -7.526   3.628   2.045
  780    HH   TYR  98           HH       TYR  98  -6.834   6.041   2.458
  781    H    VAL  99           H        VAL  99  -9.280  -1.273   6.794
  782    HA   VAL  99           HA       VAL  99 -11.316  -0.983   8.811
  783    HB   VAL  99           HB       VAL  99 -11.659  -3.409   8.720
  784   1HG1  VAL  99          1HG1      VAL  99 -11.472  -2.022   6.033
  785   2HG1  VAL  99          2HG1      VAL  99 -12.482  -3.440   6.435
  786   3HG1  VAL  99          3HG1      VAL  99 -12.798  -1.883   7.211
  787   1HG2  VAL  99          1HG2      VAL  99 -10.509  -4.797   7.099
  788   2HG2  VAL  99          2HG2      VAL  99  -9.480  -3.436   6.610
  789   3HG2  VAL  99          3HG2      VAL  99  -9.311  -4.148   8.232
  790    H    ALA 100           H        ALA 100  -7.967  -1.968   9.170
  791    HA   ALA 100           HA       ALA 100  -8.232  -2.867  11.874
  792   1HB   ALA 100          HB1       ALA 100  -5.836  -1.692  10.388
  793   2HB   ALA 100          HB2       ALA 100  -5.771  -2.614  11.896
  794   3HB   ALA 100          HB3       ALA 100  -6.308  -3.401  10.393
  795    H    ASN 101           H        ASN 101  -8.380   0.380  10.620
  796    HA   ASN 101           HA       ASN 101  -8.134   1.376  13.421
  797   1HB   ASN 101          HB2       ASN 101  -6.475   2.776  12.942
  798   2HB   ASN 101          HB3       ASN 101  -6.211   1.785  11.531
  799   1HD2  ASN 101          2HD2      ASN 101  -7.976   4.700  12.654
  800   2HD2  ASN 101          1HD2      ASN 101  -7.697   5.576  11.138
  801    H    GLN 102           H        GLN 102 -10.005   1.520  10.572
  802    HA   GLN 102           HA       GLN 102 -12.243   2.815  11.982
  803   1HB   GLN 102          HB2       GLN 102 -11.189   3.712   9.257
  804   2HB   GLN 102          HB3       GLN 102 -12.793   4.107   9.875
  805   1HG   GLN 102          HG2       GLN 102 -10.193   4.964  11.172
  806   2HG   GLN 102          HG3       GLN 102 -11.194   5.958  10.121
  807   1HE2  GLN 102          2HE2      GLN 102 -11.026   4.472  13.370
  808   2HE2  GLN 102          1HE2      GLN 102 -12.353   5.486  13.976
  809    HA   PRO 103           HA       PRO 103 -13.255  -1.068   9.639
  810   1HB   PRO 103          HB2       PRO 103 -14.751  -2.356  11.485
  811   2HB   PRO 103          HB3       PRO 103 -12.975  -2.274  11.590
  812   1HG   PRO 103          HG2       PRO 103 -14.960  -0.487  13.007
  813   2HG   PRO 103          HG3       PRO 103 -13.575  -1.398  13.715
  814   1HD   PRO 103          HD2       PRO 103 -13.363   1.227  13.028
  815   2HD   PRO 103          HD3       PRO 103 -12.001   0.095  12.772
  816    H    GLY 104           H        GLY 104 -14.313   0.796   8.487
  817   1HA   GLY 104          HA2       GLY 104 -16.953   1.653   8.750
  818   2HA   GLY 104          HA3       GLY 104 -16.072   1.562   7.231
  819    H    MET 105           H        MET 105 -16.547  -1.437   8.722
  820    HA   MET 105           HA       MET 105 -19.015  -2.114   7.227
  821   1HB   MET 105          HB2       MET 105 -17.987  -4.300   6.594
  822   2HB   MET 105          HB3       MET 105 -17.280  -2.896   5.836
  823   1HG   MET 105          HG2       MET 105 -15.512  -4.401   6.446
  824   2HG   MET 105          HG3       MET 105 -15.378  -2.944   7.424
  825   1HE   MET 105          HE1       MET 105 -13.572  -5.119   8.195
  826   2HE   MET 105          HE2       MET 105 -13.850  -3.779   9.329
  827   3HE   MET 105          HE3       MET 105 -13.872  -5.452   9.923
  828    H    GLN 106           H        GLN 106 -17.711  -1.852  10.243
  829    HA   GLN 106           HA       GLN 106 -18.846  -4.256  11.467
  830   1HB   GLN 106          HB2       GLN 106 -16.842  -3.218  12.420
  831   2HB   GLN 106          HB3       GLN 106 -17.685  -1.681  12.614
  832   1HG   GLN 106          HG2       GLN 106 -17.459  -2.824  14.746
  833   2HG   GLN 106          HG3       GLN 106 -19.158  -2.620  14.320
  834   1HE2  GLN 106          2HE2      GLN 106 -20.255  -4.620  13.344
  835   2HE2  GLN 106          1HE2      GLN 106 -19.703  -6.189  13.967
  Start of MODEL    9
    1   1H    GLU   1          H1        GLU   1  15.067 -10.969  -5.844
    2   2H    GLU   1          H2        GLU   1  16.495 -11.379  -6.545
    3   3H    GLU   1          H3        GLU   1  15.726  -9.975  -6.951
    4    HA   GLU   1           HA       GLU   1  13.956 -11.126  -8.026
    5   1HB   GLU   1          HB2       GLU   1  16.631 -12.254  -8.888
    6   2HB   GLU   1          HB3       GLU   1  15.172 -12.204  -9.857
    7   1HG   GLU   1          HG2       GLU   1  16.692  -9.765  -8.815
    8   2HG   GLU   1          HG3       GLU   1  16.895 -10.472 -10.406
    9    H    GLY   2           H        GLY   2  15.303 -13.052  -5.530
   10   1HA   GLY   2          HA2       GLY   2  14.697 -15.669  -6.729
   11   2HA   GLY   2          HA3       GLY   2  15.477 -15.330  -5.174
   12    H    GLN   3           H        GLN   3  12.738 -13.456  -5.856
   13    HA   GLN   3           HA       GLN   3  10.760 -13.076  -4.968
   14   1HB   GLN   3          HB2       GLN   3  10.326 -16.071  -4.871
   15   2HB   GLN   3          HB3       GLN   3   9.111 -14.811  -4.868
   16   1HG   GLN   3          HG2       GLN   3   9.018 -15.248  -7.077
   17   2HG   GLN   3          HG3       GLN   3  10.374 -14.127  -7.183
   18   1HE2  GLN   3          2HE2      GLN   3  12.464 -15.057  -8.072
   19   2HE2  GLN   3          1HE2      GLN   3  12.454 -16.794  -8.380
   20    H    SER   4           H        SER   4  12.599 -15.322  -3.009
   21    HA   SER   4           HA       SER   4  11.280 -14.743  -0.504
   22   1HB   SER   4          HB2       SER   4  12.854 -16.639  -0.787
   23   2HB   SER   4          HB3       SER   4  14.185 -15.489  -0.983
   24    HG   SER   4           HG       SER   4  13.222 -14.630   1.145
   25    H    ASP   5           H        ASP   5  13.405 -12.694  -2.527
   26    HA   ASP   5           HA       ASP   5  13.812 -10.858  -0.263
   27   1HB   ASP   5          HB2       ASP   5  15.188  -9.613  -1.883
   28   2HB   ASP   5          HB3       ASP   5  15.752 -11.275  -1.785
   29    H    GLU   6           H        GLU   6  11.989 -11.377  -3.314
   30    HA   GLU   6           HA       GLU   6  10.747  -8.871  -3.333
   31   1HB   GLU   6          HB2       GLU   6  10.474 -10.376  -5.226
   32   2HB   GLU   6          HB3       GLU   6   9.413 -11.431  -4.259
   33   1HG   GLU   6          HG2       GLU   6   7.752  -9.785  -4.019
   34   2HG   GLU   6          HG3       GLU   6   8.854  -8.442  -4.336
   35    H    ARG   7           H        ARG   7   9.549 -11.884  -1.724
   36    HA   ARG   7           HA       ARG   7   7.203 -10.491  -0.939
   37   1HB   ARG   7          HB2       ARG   7   8.214 -13.175  -0.472
   38   2HB   ARG   7          HB3       ARG   7   7.592 -12.539   1.038
   39   1HG   ARG   7          HG2       ARG   7   6.086 -12.625  -1.596
   40   2HG   ARG   7          HG3       ARG   7   5.858 -13.735  -0.239
   41   1HD   ARG   7          HD2       ARG   7   5.240 -10.732  -0.213
   42   2HD   ARG   7          HD3       ARG   7   4.063 -12.025  -0.355
   43    HE   ARG   7           HE       ARG   7   5.346 -11.004   2.041
   44   1HH1  ARG   7          1HH1      ARG   7   3.748 -13.895   0.856
   45   2HH1  ARG   7          2HH1      ARG   7   3.259 -14.329   2.494
   46   1HH2  ARG   7          2HH2      ARG   7   4.799 -11.571   3.875
   47   2HH2  ARG   7          1HH2      ARG   7   3.894 -13.019   4.292
   48    H    ALA   8           H        ALA   8  10.218 -10.755   0.841
   49    HA   ALA   8           HA       ALA   8   9.318  -9.282   3.153
   50   1HB   ALA   8          HB1       ALA   8  11.746  -8.992   3.581
   51   2HB   ALA   8          HB2       ALA   8  11.362 -10.675   3.161
   52   3HB   ALA   8          HB3       ALA   8  12.102  -9.608   1.952
   53    H    LEU   9           H        LEU   9  10.962  -8.137   0.072
   54    HA   LEU   9           HA       LEU   9  10.821  -5.481   1.152
   55   1HB   LEU   9          HB2       LEU   9  12.304  -4.838  -0.182
   56   2HB   LEU   9          HB3       LEU   9  12.540  -6.518  -0.564
   57    HG   LEU   9           HG       LEU   9  12.700  -5.053  -2.454
   58   1HD1  LEU   9          1HD1      LEU   9  11.344  -6.255  -4.060
   59   2HD1  LEU   9          2HD1      LEU   9  12.069  -7.332  -2.857
   60   3HD1  LEU   9          3HD1      LEU   9  10.348  -6.905  -2.725
   61   1HD2  LEU   9          1HD2      LEU   9  11.036  -3.717  -3.362
   62   2HD2  LEU   9          2HD2      LEU   9   9.744  -4.486  -2.436
   63   3HD2  LEU   9          3HD2      LEU   9  10.901  -3.407  -1.613
   64    H    LEU  10           H        LEU  10   8.701  -7.285  -0.919
   65    HA   LEU  10           HA       LEU  10   6.792  -5.274  -1.691
   66   1HB   LEU  10          HB2       LEU  10   7.133  -7.460  -2.772
   67   2HB   LEU  10          HB3       LEU  10   6.728  -8.289  -1.258
   68    HG   LEU  10           HG       LEU  10   4.416  -7.693  -1.453
   69   1HD1  LEU  10          1HD1      LEU  10   4.665  -5.550  -2.771
   70   2HD1  LEU  10          2HD1      LEU  10   5.091  -6.527  -4.194
   71   3HD1  LEU  10          3HD1      LEU  10   3.482  -6.699  -3.445
   72   1HD2  LEU  10          1HD2      LEU  10   3.930  -9.080  -3.443
   73   2HD2  LEU  10          2HD2      LEU  10   5.574  -8.845  -4.052
   74   3HD2  LEU  10          3HD2      LEU  10   5.299  -9.756  -2.549
   75    H    ASP  11           H        ASP  11   6.911  -7.596   1.095
   76    HA   ASP  11           HA       ASP  11   4.695  -6.531   2.466
   77   1HB   ASP  11          HB2       ASP  11   7.136  -8.048   3.420
   78   2HB   ASP  11          HB3       ASP  11   5.931  -7.453   4.536
   79    H    GLN  12           H        GLN  12   8.161  -5.559   3.023
   80    HA   GLN  12           HA       GLN  12   7.320  -3.523   4.840
   81   1HB   GLN  12          HB2       GLN  12   9.552  -2.688   4.847
   82   2HB   GLN  12          HB3       GLN  12   9.579  -4.457   4.746
   83   1HG   GLN  12          HG2       GLN  12  11.262  -3.964   3.351
   84   2HG   GLN  12          HG3       GLN  12   9.855  -4.251   2.300
   85   1HE2  GLN  12          2HE2      GLN  12   9.827  -2.917   0.577
   86   2HE2  GLN  12          1HE2      GLN  12  10.493  -1.260   0.650
   87    H    LEU  13           H        LEU  13   7.437  -3.435   1.276
   88    HA   LEU  13           HA       LEU  13   7.142  -0.562   1.235
   89   1HB   LEU  13          HB2       LEU  13   8.168  -2.025  -0.547
   90   2HB   LEU  13          HB3       LEU  13   6.566  -2.536  -1.023
   91    HG   LEU  13           HG       LEU  13   6.011  -0.285  -1.748
   92   1HD1  LEU  13          1HD1      LEU  13   8.683   0.523  -0.509
   93   2HD1  LEU  13          2HD1      LEU  13   7.828   1.523  -1.688
   94   3HD1  LEU  13          3HD1      LEU  13   7.049   1.146  -0.140
   95   1HD2  LEU  13          1HD2      LEU  13   8.888  -0.926  -2.596
   96   2HD2  LEU  13          2HD2      LEU  13   7.452  -1.751  -3.237
   97   3HD2  LEU  13          3HD2      LEU  13   7.680  -0.026  -3.532
   98    H    HIS  14           H        HIS  14   4.758  -3.308   1.080
   99    HA   HIS  14           HA       HIS  14   2.570  -1.358   0.928
  100   1HB   HIS  14          HB2       HIS  14   1.023  -3.041   0.970
  101   2HB   HIS  14          HB3       HIS  14   2.339  -3.667   0.002
  102    HD2  HIS  14           HD2      HIS  14   2.919  -6.105   0.499
  103    HE1  HIS  14           HE1      HIS  14   1.532  -6.386   4.518
  104    HE2  HIS  14           HE2      HIS  14   2.689  -7.641   2.607
  105    H    THR  15           H        THR  15   4.352  -2.864   3.557
  106    HA   THR  15           HA       THR  15   2.725  -1.914   5.733
  107    HB   THR  15           HB       THR  15   5.754  -1.998   5.796
  108    HG1  THR  15           HG1      THR  15   4.897  -4.047   5.107
  109   1HG2  THR  15          1HG2      THR  15   5.377  -2.591   8.177
  110   2HG2  THR  15          2HG2      THR  15   4.711  -1.003   7.792
  111   3HG2  THR  15          3HG2      THR  15   3.629  -2.413   7.942
  112    H    LEU  16           H        LEU  16   5.586  -0.334   4.176
  113    HA   LEU  16           HA       LEU  16   5.370   2.177   5.371
  114   1HB   LEU  16          HB2       LEU  16   7.197   1.476   3.818
  115   2HB   LEU  16          HB3       LEU  16   6.058   1.358   2.496
  116    HG   LEU  16           HG       LEU  16   5.631   3.964   3.059
  117   1HD1  LEU  16          1HD1      LEU  16   7.237   3.969   4.977
  118   2HD1  LEU  16          2HD1      LEU  16   8.531   3.530   3.838
  119   3HD1  LEU  16          3HD1      LEU  16   7.680   5.086   3.670
  120   1HD2  LEU  16          1HD2      LEU  16   6.230   3.114   0.899
  121   2HD2  LEU  16          2HD2      LEU  16   7.336   4.445   1.283
  122   3HD2  LEU  16          3HD2      LEU  16   7.885   2.758   1.441
  123    H    LEU  17           H        LEU  17   3.658   1.154   2.331
  124    HA   LEU  17           HA       LEU  17   2.011   3.523   2.285
  125   1HB   LEU  17          HB3       LEU  17   1.679   0.824   0.955
  126   2HB   LEU  17          HB2       LEU  17   0.616   2.228   0.734
  127    HG   LEU  17           HG       LEU  17   3.492   2.768   0.236
  128   1HD1  LEU  17          1HD2      LEU  17   3.277   0.536  -0.841
  129   2HD1  LEU  17          2HD2      LEU  17   3.482   1.834  -2.014
  130   3HD1  LEU  17          3HD2      LEU  17   1.874   1.119  -1.758
  131   1HD2  LEU  17          1HD1      LEU  17   2.895   4.200  -1.369
  132   2HD2  LEU  17          2HD1      LEU  17   1.646   4.441  -0.141
  133   3HD2  LEU  17          3HD1      LEU  17   1.304   3.510  -1.635
  134    H    SER  18           H        SER  18   1.763   1.109   4.624
  135    HA   SER  18           HA       SER  18  -1.112   1.816   5.111
  136   1HB   SER  18          HB2       SER  18  -1.641  -0.472   5.447
  137   2HB   SER  18          HB3       SER  18  -0.878  -0.258   3.870
  138    HG   SER  18           HG       SER  18   0.896  -1.187   4.564
  139    H    ASN  19           H        ASN  19   1.666   2.284   6.362
  140    HA   ASN  19           HA       ASN  19   2.069   1.418   8.874
  141   1HB   ASN  19          HB2       ASN  19   3.543   3.358   8.929
  142   2HB   ASN  19          HB3       ASN  19   3.414   2.854   7.282
  143   1HD2  ASN  19          2HD2      ASN  19   2.828   4.399   5.740
  144   2HD2  ASN  19          1HD2      ASN  19   2.055   5.924   6.205
  145    H    THR  20           H        THR  20  -0.698   2.985   8.172
  146    HA   THR  20           HA       THR  20  -2.556   3.184   9.530
  147    HB   THR  20           HB       THR  20  -2.598   4.433  11.672
  148    HG1  THR  20           HG1      THR  20   0.161   4.098  11.500
  149   1HG2  THR  20          1HG2      THR  20  -1.832   2.588  13.034
  150   2HG2  THR  20          2HG2      THR  20  -2.702   1.989  11.599
  151   3HG2  THR  20          3HG2      THR  20  -0.934   1.879  11.691
  152    H    ASP  21           H        ASP  21  -0.309   5.649   8.469
  153    HA   ASP  21           HA       ASP  21  -2.124   7.808   8.593
  154   1HB   ASP  21          HB2       ASP  21   0.254   8.110   8.191
  155   2HB   ASP  21          HB3       ASP  21   0.125   7.304   6.620
  156    H    ALA  22           H        ALA  22  -3.328   8.766   7.107
  157    HA   ALA  22           HA       ALA  22  -4.054   7.554   4.518
  158   1HB   ALA  22          HB1       ALA  22  -5.737   6.729   6.214
  159   2HB   ALA  22          HB2       ALA  22  -6.184   8.416   6.516
  160   3HB   ALA  22          HB3       ALA  22  -6.435   7.702   4.898
  161    H    THR  23           H        THR  23  -3.030  10.248   6.145
  162    HA   THR  23           HA       THR  23  -4.723  12.343   5.570
  163    HB   THR  23           HB       THR  23  -1.685  12.516   5.627
  164    HG1  THR  23           HG1      THR  23  -2.216  11.407   7.406
  165   1HG2  THR  23          1HG2      THR  23  -3.848  14.457   6.553
  166   2HG2  THR  23          2HG2      THR  23  -2.090  14.675   6.743
  167   3HG2  THR  23          3HG2      THR  23  -2.801  14.659   5.122
  168    H    GLY  24           H        GLY  24  -1.917  11.427   3.560
  169   1HA   GLY  24          HA2       GLY  24  -3.147  12.950   1.280
  170   2HA   GLY  24          HA3       GLY  24  -1.467  12.390   1.364
  171    H    LEU  25           H        LEU  25  -2.459   9.683   2.389
  172    HA   LEU  25           HA       LEU  25  -2.545   8.430  -0.185
  173   1HB   LEU  25          HB2       LEU  25  -2.904   7.371   2.639
  174   2HB   LEU  25          HB3       LEU  25  -3.103   6.365   1.212
  175    HG   LEU  25           HG       LEU  25  -0.778   7.138   0.458
  176   1HD1  LEU  25          1HD1      LEU  25  -0.676   8.117   3.362
  177   2HD1  LEU  25          2HD1      LEU  25   0.774   7.741   2.421
  178   3HD1  LEU  25          3HD1      LEU  25  -0.266   9.038   1.886
  179   1HD2  LEU  25          1HD2      LEU  25   0.308   5.457   1.635
  180   2HD2  LEU  25          2HD2      LEU  25  -0.768   5.598   3.051
  181   3HD2  LEU  25          3HD2      LEU  25  -1.376   4.932   1.504
  182    H    GLU  26           H        GLU  26  -5.156   9.542   1.942
  183    HA   GLU  26           HA       GLU  26  -7.388   8.313   0.863
  184   1HB   GLU  26          HB2       GLU  26  -7.748   9.863   2.578
  185   2HB   GLU  26          HB3       GLU  26  -6.687  11.063   1.879
  186   1HG   GLU  26          HG2       GLU  26  -8.990  11.820   1.850
  187   2HG   GLU  26          HG3       GLU  26  -8.325  11.710   0.232
  188    H    GLU  27           H        GLU  27  -5.399  10.875  -0.725
  189    HA   GLU  27           HA       GLU  27  -7.185  11.257  -2.944
  190   1HB   GLU  27          HB2       GLU  27  -5.287  12.802  -2.185
  191   2HB   GLU  27          HB3       GLU  27  -4.160  11.624  -2.837
  192   1HG   GLU  27          HG2       GLU  27  -4.371  13.303  -4.492
  193   2HG   GLU  27          HG3       GLU  27  -5.308  11.945  -5.115
  194    H    ILE  28           H        ILE  28  -4.233   9.290  -2.621
  195    HA   ILE  28           HA       ILE  28  -4.314   8.079  -5.218
  196    HB   ILE  28           HB       ILE  28  -3.269   6.668  -2.737
  197   1HG1  ILE  28          2HG1      ILE  28  -2.349   8.885  -2.484
  198   2HG1  ILE  28          3HG1      ILE  28  -1.107   7.715  -2.894
  199   1HG2  ILE  28          1HG2      ILE  28  -2.323   6.724  -5.632
  200   2HG2  ILE  28          2HG2      ILE  28  -1.599   5.774  -4.319
  201   3HG2  ILE  28          3HG2      ILE  28  -3.256   5.436  -4.875
  202   1HD1  ILE  28          1HD1      ILE  28  -0.794   9.854  -4.047
  203   2HD1  ILE  28          2HD1      ILE  28  -1.028   8.544  -5.215
  204   3HD1  ILE  28          3HD1      ILE  28  -2.360   9.689  -4.852
  205    H    ASP  29           H        ASP  29  -5.759   7.187  -2.108
  206    HA   ASP  29           HA       ASP  29  -6.725   4.610  -2.955
  207   1HB   ASP  29          HB2       ASP  29  -7.106   6.370  -0.527
  208   2HB   ASP  29          HB3       ASP  29  -7.928   4.833  -0.690
  209    H    ARG  30           H        ARG  30  -8.329   7.860  -2.700
  210    HA   ARG  30           HA       ARG  30 -10.823   6.788  -3.747
  211   1HB   ARG  30          HB2       ARG  30 -11.597   9.009  -3.964
  212   2HB   ARG  30          HB3       ARG  30 -10.730   8.878  -2.437
  213   1HG   ARG  30          HG2       ARG  30  -8.818  10.046  -3.341
  214   2HG   ARG  30          HG3       ARG  30  -9.534  10.137  -4.950
  215   1HD   ARG  30          HD2       ARG  30 -11.231  11.623  -4.229
  216   2HD   ARG  30          HD3       ARG  30 -11.016  11.194  -2.526
  217    HE   ARG  30           HE       ARG  30  -8.946  12.737  -4.055
  218   1HH1  ARG  30          1HH2      ARG  30 -10.545  12.281  -0.954
  219   2HH1  ARG  30          2HH2      ARG  30 -10.095  13.859  -0.397
  220   1HH2  ARG  30          1HH1      ARG  30  -8.032  14.482  -3.071
  221   2HH2  ARG  30          2HH1      ARG  30  -8.625  15.055  -1.550
  222    H    ALA  31           H        ALA  31  -7.904   8.129  -5.349
  223    HA   ALA  31           HA       ALA  31  -8.938   7.971  -7.999
  224   1HB   ALA  31          HB1       ALA  31  -6.843   9.116  -7.365
  225   2HB   ALA  31          HB2       ALA  31  -6.068   7.528  -7.093
  226   3HB   ALA  31          HB3       ALA  31  -6.610   7.968  -8.713
  227    H    LEU  32           H        LEU  32  -8.027   5.399  -5.821
  228    HA   LEU  32           HA       LEU  32  -8.414   3.345  -7.956
  229   1HB   LEU  32          HB2       LEU  32  -7.080   3.184  -5.232
  230   2HB   LEU  32          HB3       LEU  32  -7.264   1.836  -6.356
  231    HG   LEU  32           HG       LEU  32  -5.777   4.426  -7.008
  232   1HD1  LEU  32          1HD1      LEU  32  -4.567   1.823  -6.023
  233   2HD1  LEU  32          2HD1      LEU  32  -3.742   3.374  -6.361
  234   3HD1  LEU  32          3HD1      LEU  32  -4.876   3.243  -5.015
  235   1HD2  LEU  32          1HD2      LEU  32  -5.611   1.670  -8.285
  236   2HD2  LEU  32          2HD2      LEU  32  -6.507   3.047  -8.963
  237   3HD2  LEU  32          3HD2      LEU  32  -4.754   3.151  -8.785
  238    H    GLY  33           H        GLY  33 -10.478   4.991  -6.168
  239   1HA   GLY  33          HA2       GLY  33 -12.638   4.620  -5.524
  240   2HA   GLY  33          HA3       GLY  33 -12.522   3.005  -6.231
  241    H    ILE  34           H        ILE  34 -10.189   3.479  -3.792
  242    HA   ILE  34           HA       ILE  34 -11.017   1.209  -2.365
  243    HB   ILE  34           HB       ILE  34  -9.047   3.327  -1.597
  244   1HG1  ILE  34          2HG1      ILE  34  -8.826   0.595  -3.002
  245   2HG1  ILE  34          3HG1      ILE  34  -8.567   2.169  -3.754
  246   1HG2  ILE  34          1HG2      ILE  34  -8.123   1.668  -0.049
  247   2HG2  ILE  34          2HG2      ILE  34  -9.785   2.063   0.391
  248   3HG2  ILE  34          3HG2      ILE  34  -9.447   0.554  -0.484
  249   1HD1  ILE  34          1HD1      ILE  34  -6.652   2.533  -2.148
  250   2HD1  ILE  34          2HD1      ILE  34  -6.799   0.806  -1.728
  251   3HD1  ILE  34          3HD1      ILE  34  -6.440   1.287  -3.396
  252    HA   PRO  35           HA       PRO  35 -13.051   3.881   1.127
  253   1HB   PRO  35          HB2       PRO  35 -14.010   6.085  -0.684
  254   2HB   PRO  35          HB3       PRO  35 -13.719   6.131   1.082
  255   1HG   PRO  35          HG2       PRO  35 -11.844   7.156  -0.541
  256   2HG   PRO  35          HG3       PRO  35 -11.339   6.044   0.780
  257   1HD   PRO  35          HD2       PRO  35 -11.779   5.380  -2.152
  258   2HD   PRO  35          HD3       PRO  35 -10.397   4.952  -1.089
  259    H    GLU  36           H        GLU  36 -14.321   3.828  -2.288
  260    HA   GLU  36           HA       GLU  36 -16.958   3.000  -1.304
  261   1HB   GLU  36          HB2       GLU  36 -15.815   3.485  -4.071
  262   2HB   GLU  36          HB3       GLU  36 -17.298   2.556  -3.870
  263   1HG   GLU  36          HG2       GLU  36 -16.880   5.400  -2.891
  264   2HG   GLU  36          HG3       GLU  36 -17.814   4.885  -4.296
  265    H    LEU  37           H        LEU  37 -14.037   1.365  -2.367
  266    HA   LEU  37           HA       LEU  37 -15.307  -1.258  -2.499
  267   1HB   LEU  37          HB2       LEU  37 -12.409  -0.531  -1.864
  268   2HB   LEU  37          HB3       LEU  37 -13.009  -2.160  -2.151
  269    HG   LEU  37           HG       LEU  37 -13.113   0.080  -4.227
  270   1HD1  LEU  37          1HD1      LEU  37 -11.277  -1.226  -5.313
  271   2HD1  LEU  37          2HD1      LEU  37 -10.795  -0.492  -3.779
  272   3HD1  LEU  37          3HD1      LEU  37 -11.162  -2.220  -3.842
  273   1HD2  LEU  37          1HD2      LEU  37 -14.833  -1.576  -4.654
  274   2HD2  LEU  37          2HD2      LEU  37 -13.511  -1.818  -5.791
  275   3HD2  LEU  37          3HD2      LEU  37 -13.696  -2.916  -4.403
  276    H    VAL  38           H        VAL  38 -13.988   0.649   0.185
  277    HA   VAL  38           HA       VAL  38 -14.534  -1.288   2.276
  278    HB   VAL  38           HB       VAL  38 -14.407   1.741   2.448
  279   1HG1  VAL  38          1HG1      VAL  38 -13.882   1.298   4.873
  280   2HG1  VAL  38          2HG1      VAL  38 -15.558   1.044   4.396
  281   3HG1  VAL  38          3HG1      VAL  38 -14.517  -0.350   4.642
  282   1HG2  VAL  38          1HG2      VAL  38 -12.289   0.523   1.656
  283   2HG2  VAL  38          2HG2      VAL  38 -12.196   1.617   3.011
  284   3HG2  VAL  38          3HG2      VAL  38 -12.220  -0.155   3.306
  285    H    ASN  39           H        ASN  39 -16.412   1.663   1.321
  286    HA   ASN  39           HA       ASN  39 -18.675   1.087   2.918
  287   1HB   ASN  39          HB3       ASN  39 -18.558   2.575   0.250
  288   2HB   ASN  39          HB2       ASN  39 -19.869   2.664   1.418
  289   1HD2  ASN  39          2HD2      ASN  39 -18.222   4.840   0.381
  290   2HD2  ASN  39          1HD2      ASN  39 -17.431   5.543   1.805
  291    H    GLN  40           H        GLN  40 -17.986   0.120  -0.407
  292    HA   GLN  40           HA       GLN  40 -18.568  -1.523  -1.722
  293   1HB   GLN  40          HB2       GLN  40 -21.003  -1.817  -2.193
  294   2HB   GLN  40          HB3       GLN  40 -21.354  -0.797  -0.784
  295   1HG   GLN  40          HG2       GLN  40 -19.946   1.023  -1.867
  296   2HG   GLN  40          HG3       GLN  40 -19.777   0.002  -3.292
  297   1HE2  GLN  40          2HE2      GLN  40 -20.972   2.698  -3.056
  298   2HE2  GLN  40          1HE2      GLN  40 -22.652   2.472  -3.570
  299    H    GLY  41           H        GLY  41 -18.067  -2.260   1.242
  300   1HA   GLY  41          HA2       GLY  41 -17.819  -4.221   2.400
  301   2HA   GLY  41          HA3       GLY  41 -19.138  -4.939   1.466
  302    H    GLN  42           H        GLN  42 -17.326  -3.933  -0.939
  303    HA   GLN  42           HA       GLN  42 -16.225  -6.399  -1.741
  304   1HB   GLN  42          HB2       GLN  42 -15.486  -3.599  -2.655
  305   2HB   GLN  42          HB3       GLN  42 -15.055  -5.108  -3.464
  306   1HG   GLN  42          HG2       GLN  42 -17.678  -5.551  -3.417
  307   2HG   GLN  42          HG3       GLN  42 -17.775  -3.799  -3.226
  308   1HE2  GLN  42          2HE2      GLN  42 -16.273  -6.330  -5.279
  309   2HE2  GLN  42          1HE2      GLN  42 -16.400  -5.382  -6.765
  310    H    ALA  43           H        ALA  43 -14.859  -4.081   0.410
  311    HA   ALA  43           HA       ALA  43 -12.131  -4.692   0.432
  312   1HB   ALA  43          HB1       ALA  43 -12.222  -4.021   2.788
  313   2HB   ALA  43          HB2       ALA  43 -13.342  -2.994   1.850
  314   3HB   ALA  43          HB3       ALA  43 -13.965  -4.330   2.843
  315    H    LEU  44           H        LEU  44 -14.797  -6.798   1.454
  316    HA   LEU  44           HA       LEU  44 -13.127  -8.628   2.977
  317   1HB   LEU  44          HB2       LEU  44 -15.985  -8.820   1.961
  318   2HB   LEU  44          HB3       LEU  44 -15.249  -9.928   3.110
  319    HG   LEU  44           HG       LEU  44 -15.751  -6.952   3.600
  320   1HD1  LEU  44          1HD1      LEU  44 -17.423  -7.737   5.202
  321   2HD1  LEU  44          2HD1      LEU  44 -17.795  -8.328   3.578
  322   3HD1  LEU  44          3HD1      LEU  44 -17.078  -9.433   4.762
  323   1HD2  LEU  44          1HD2      LEU  44 -13.765  -7.666   4.882
  324   2HD2  LEU  44          2HD2      LEU  44 -15.132  -7.465   5.956
  325   3HD2  LEU  44          3HD2      LEU  44 -14.653  -9.097   5.470
  326    H    GLU  45           H        GLU  45 -13.440  -8.234  -0.375
  327    HA   GLU  45           HA       GLU  45 -13.358 -11.026  -1.224
  328   1HB   GLU  45          HB2       GLU  45 -12.572  -8.405  -2.543
  329   2HB   GLU  45          HB3       GLU  45 -12.659  -9.932  -3.400
  330   1HG   GLU  45          HG2       GLU  45 -15.040 -10.060  -3.179
  331   2HG   GLU  45          HG3       GLU  45 -15.088  -8.690  -2.053
  332    HA   PRO  46           HA       PRO  46  -8.869 -11.660  -1.139
  333   1HB   PRO  46          HB2       PRO  46  -9.052 -12.366  -4.070
  334   2HB   PRO  46          HB3       PRO  46  -8.244 -13.261  -2.741
  335   1HG   PRO  46          HG2       PRO  46 -10.646 -14.086  -3.709
  336   2HG   PRO  46          HG3       PRO  46 -10.358 -14.066  -1.936
  337   1HD   PRO  46          HD2       PRO  46 -11.792 -12.011  -3.633
  338   2HD   PRO  46          HD3       PRO  46 -12.303 -12.731  -2.074
  339    H    LYS  47           H        LYS  47 -10.300  -9.722  -3.628
  340    HA   LYS  47           HA       LYS  47  -7.960  -8.127  -4.411
  341   1HB   LYS  47          HB2       LYS  47  -9.781  -8.567  -5.963
  342   2HB   LYS  47          HB3       LYS  47 -10.986  -7.929  -4.884
  343   1HG   LYS  47          HG2       LYS  47  -8.773  -6.315  -6.214
  344   2HG   LYS  47          HG3       LYS  47 -10.409  -6.496  -6.851
  345   1HD   LYS  47          HD2       LYS  47  -9.612  -4.968  -4.323
  346   2HD   LYS  47          HD3       LYS  47 -10.044  -4.306  -5.879
  347   1HE   LYS  47          HE2       LYS  47 -11.866  -3.990  -4.436
  348   2HE   LYS  47          HE3       LYS  47 -12.345  -5.143  -5.673
  349   1HZ   LYS  47          HZ1       LYS  47 -12.569  -6.768  -4.141
  350   2HZ   LYS  47          HZ2       LYS  47 -11.332  -6.286  -3.179
  351   3HZ   LYS  47          HZ3       LYS  47 -12.803  -5.600  -3.075
  352    HT1  PRO  48           H2       PRO  48  15.317  -6.962 -11.689
  353    HT2  PRO  48           H3       PRO  48  14.649  -6.816 -13.150
  354    HA   PRO  48           HA       PRO  48  13.459  -6.652 -10.614
  355   1HB   PRO  48          HB2       PRO  48  12.040  -4.492 -11.732
  356   2HB   PRO  48          HB3       PRO  48  13.336  -4.363 -10.516
  357   1HG   PRO  48          HG2       PRO  48  13.613  -4.188 -13.555
  358   2HG   PRO  48          HG3       PRO  48  14.243  -3.050 -12.330
  359   1HD   PRO  48          HD2       PRO  48  15.937  -4.901 -13.218
  360   2HD   PRO  48          HD3       PRO  48  15.773  -4.694 -11.462
  361    H    ASN  49           H        ASN  49  13.208  -8.752 -11.576
  362    HA   ASN  49           HA       ASN  49  11.169  -8.868 -13.760
  363   1HB   ASN  49          HB2       ASN  49  13.735 -10.463 -13.427
  364   2HB   ASN  49          HB3       ASN  49  12.507 -10.739 -14.672
  365   1HD2  ASN  49          2HD2      ASN  49  12.741  -9.574 -16.598
  366   2HD2  ASN  49          1HD2      ASN  49  13.809  -8.173 -16.729
  367    H    ARG  50           H        ARG  50  12.517 -10.632 -10.960
  368    HA   ARG  50           HA       ARG  50   9.795 -11.707 -10.558
  369   1HB   ARG  50          HB2       ARG  50  12.232 -13.307 -10.734
  370   2HB   ARG  50          HB3       ARG  50  11.359 -13.568  -9.214
  371   1HG   ARG  50          HG2       ARG  50   9.863 -13.529 -11.853
  372   2HG   ARG  50          HG3       ARG  50  10.696 -14.978 -11.313
  373   1HD   ARG  50          HD2       ARG  50   8.268 -14.940 -10.782
  374   2HD   ARG  50          HD3       ARG  50   9.330 -15.320  -9.443
  375    HE   ARG  50           HE       ARG  50   8.990 -12.826  -8.772
  376   1HH1  ARG  50          1HH2      ARG  50   6.380 -14.724 -10.173
  377   2HH1  ARG  50          2HH2      ARG  50   5.186 -13.759  -9.297
  378   1HH2  ARG  50          1HH1      ARG  50   7.386 -11.707  -7.691
  379   2HH2  ARG  50          2HH1      ARG  50   5.764 -12.109  -8.014
  380    H    SER  51           H        SER  51  12.121  -9.717  -9.431
  381    HA   SER  51           HA       SER  51  10.510  -9.142  -7.003
  382   1HB   SER  51          HB2       SER  51  13.506  -8.669  -7.393
  383   2HB   SER  51          HB3       SER  51  12.534  -8.065  -6.040
  384    HG   SER  51           HG       SER  51  13.435  -9.916  -5.367
  385    H    ILE  52           H        ILE  52   9.172  -7.618  -8.041
  386    HA   ILE  52           HA       ILE  52  10.337  -6.133 -10.345
  387    HB   ILE  52           HB       ILE  52   7.475  -5.833  -9.483
  388   1HG1  ILE  52          2HG1      ILE  52   6.973  -7.576 -11.336
  389   2HG1  ILE  52          3HG1      ILE  52   8.609  -8.155 -11.094
  390   1HG2  ILE  52          1HG2      ILE  52   8.292  -4.287 -11.217
  391   2HG2  ILE  52          2HG2      ILE  52   8.915  -5.648 -12.166
  392   3HG2  ILE  52          3HG2      ILE  52   7.160  -5.413 -11.917
  393   1HD1  ILE  52          1HD1      ILE  52   6.752  -7.880  -8.713
  394   2HD1  ILE  52          2HD1      ILE  52   6.559  -9.245  -9.838
  395   3HD1  ILE  52          3HD1      ILE  52   8.076  -9.044  -8.980
  396    H    SER  53           H        SER  53   9.773  -5.574  -7.032
  397    HA   SER  53           HA       SER  53   9.642  -2.638  -7.282
  398   1HB   SER  53          HB2       SER  53   9.243  -2.868  -4.725
  399   2HB   SER  53          HB3       SER  53   7.984  -3.320  -5.878
  400    HG   SER  53           HG       SER  53   8.575  -4.873  -4.097
  401    HA   PRO  54           HA       PRO  54  13.790  -3.197  -4.846
  402   1HB   PRO  54          HB2       PRO  54  15.871  -3.760  -6.536
  403   2HB   PRO  54          HB3       PRO  54  14.947  -5.026  -5.662
  404   1HG   PRO  54          HG2       PRO  54  14.549  -4.051  -8.484
  405   2HG   PRO  54          HG3       PRO  54  14.668  -5.746  -7.926
  406   1HD   PRO  54          HD2       PRO  54  12.282  -4.564  -8.368
  407   2HD   PRO  54          HD3       PRO  54  12.497  -5.676  -6.970
  408    H    SER  55           H        SER  55  12.896  -1.856  -7.923
  409    HA   SER  55           HA       SER  55  14.568   0.518  -7.749
  410   1HB   SER  55          HB2       SER  55  12.990   1.152  -9.702
  411   2HB   SER  55          HB3       SER  55  13.951  -0.315  -9.947
  412    HG   SER  55           HG       SER  55  11.715  -0.575 -10.482
  413    H    ALA  56           H        ALA  56  11.076  -0.201  -7.491
  414    HA   ALA  56           HA       ALA  56  10.194   2.238  -6.339
  415   1HB   ALA  56          HB1       ALA  56   8.213   0.932  -5.708
  416   2HB   ALA  56          HB2       ALA  56   8.776   0.452  -7.315
  417   3HB   ALA  56          HB3       ALA  56   9.123  -0.581  -5.912
  418    H    LEU  57           H        LEU  57  11.765  -0.531  -4.765
  419    HA   LEU  57           HA       LEU  57  11.525   0.163  -2.066
  420   1HB   LEU  57          HB2       LEU  57  12.411  -1.965  -2.907
  421   2HB   LEU  57          HB3       LEU  57  13.668  -1.112  -3.784
  422    HG   LEU  57           HG       LEU  57  14.815  -0.560  -1.646
  423   1HD1  LEU  57          1HD1      LEU  57  12.919  -0.802  -0.056
  424   2HD1  LEU  57          2HD1      LEU  57  12.767  -2.527  -0.486
  425   3HD1  LEU  57          3HD1      LEU  57  14.206  -1.935   0.354
  426   1HD2  LEU  57          1HD2      LEU  57  14.338  -3.478  -2.382
  427   2HD2  LEU  57          2HD2      LEU  57  15.496  -2.384  -3.109
  428   3HD2  LEU  57          3HD2      LEU  57  15.707  -2.872  -1.418
  429    H    GLN  58           H        GLN  58  13.390   1.764  -4.578
  430    HA   GLN  58           HA       GLN  58  14.731   3.518  -2.585
  431   1HB   GLN  58          HB2       GLN  58  14.992   3.271  -5.613
  432   2HB   GLN  58          HB3       GLN  58  15.882   4.413  -4.603
  433   1HG   GLN  58          HG2       GLN  58  17.188   2.725  -3.640
  434   2HG   GLN  58          HG3       GLN  58  16.049   1.435  -4.002
  435   1HE2  GLN  58          2HE2      GLN  58  16.268   0.229  -5.985
  436   2HE2  GLN  58          1HE2      GLN  58  17.517   0.750  -7.138
  437    H    ASP  59           H        ASP  59  12.796   3.733  -5.554
  438    HA   ASP  59           HA       ASP  59  12.223   6.475  -5.180
  439   1HB   ASP  59          HB2       ASP  59  12.363   4.819  -7.299
  440   2HB   ASP  59          HB3       ASP  59  10.621   4.857  -7.144
  441    H    LEU  60           H        LEU  60   9.967   3.652  -4.760
  442    HA   LEU  60           HA       LEU  60   7.677   5.390  -4.218
  443   1HB   LEU  60          HB2       LEU  60   7.434   3.205  -5.307
  444   2HB   LEU  60          HB3       LEU  60   8.043   2.388  -3.879
  445    HG   LEU  60           HG       LEU  60   6.086   2.782  -2.643
  446   1HD1  LEU  60          1HD1      LEU  60   4.207   4.119  -3.426
  447   2HD1  LEU  60          2HD1      LEU  60   5.619   5.132  -3.097
  448   3HD1  LEU  60          3HD1      LEU  60   5.163   4.755  -4.788
  449   1HD2  LEU  60          1HD2      LEU  60   4.307   1.946  -4.194
  450   2HD2  LEU  60          2HD2      LEU  60   5.313   2.348  -5.581
  451   3HD2  LEU  60          3HD2      LEU  60   5.849   1.099  -4.441
  452    H    LEU  61           H        LEU  61  10.098   3.518  -2.513
  453    HA   LEU  61           HA       LEU  61   9.250   3.935   0.144
  454   1HB   LEU  61          HB2       LEU  61  11.154   2.460  -0.798
  455   2HB   LEU  61          HB3       LEU  61  12.156   3.895  -0.665
  456    HG   LEU  61           HG       LEU  61  11.028   3.854   1.849
  457   1HD1  LEU  61          1HD1      LEU  61   9.812   1.714   1.345
  458   2HD1  LEU  61          2HD1      LEU  61  11.383   0.916   1.113
  459   3HD1  LEU  61          3HD1      LEU  61  10.943   1.559   2.693
  460   1HD2  LEU  61          1HD2      LEU  61  13.483   2.256   1.069
  461   2HD2  LEU  61          2HD2      LEU  61  13.434   4.013   1.394
  462   3HD2  LEU  61          3HD2      LEU  61  13.078   2.849   2.683
  463    H    ARG  62           H        ARG  62  11.663   6.044  -1.689
  464    HA   ARG  62           HA       ARG  62  11.597   8.010   0.361
  465   1HB   ARG  62          HB2       ARG  62  12.733   9.504  -0.975
  466   2HB   ARG  62          HB3       ARG  62  13.346   7.915  -1.359
  467   1HG   ARG  62          HG2       ARG  62  13.337   9.067  -3.336
  468   2HG   ARG  62          HG3       ARG  62  12.004   7.956  -3.479
  469   1HD   ARG  62          HD2       ARG  62  10.397   9.829  -3.280
  470   2HD   ARG  62          HD3       ARG  62  11.689  10.909  -2.735
  471    HE   ARG  62           HE       ARG  62  12.480  11.131  -4.919
  472   1HH1  ARG  62          1HH2      ARG  62   9.652   8.915  -5.155
  473   2HH1  ARG  62          2HH2      ARG  62  10.187   8.444  -6.730
  474   1HH2  ARG  62          2HH1      ARG  62  12.983  10.374  -6.954
  475   2HH2  ARG  62          1HH1      ARG  62  12.101   8.989  -7.484
  476    H    THR  63           H        THR  63   9.450   7.562  -2.385
  477    HA   THR  63           HA       THR  63   7.997   9.981  -2.280
  478    HB   THR  63           HB       THR  63   7.684   7.236  -3.353
  479    HG1  THR  63           HG1      THR  63   7.318   9.807  -4.514
  480   1HG2  THR  63          1HG2      THR  63   5.316   7.735  -2.661
  481   2HG2  THR  63          2HG2      THR  63   5.307   8.863  -4.053
  482   3HG2  THR  63          3HG2      THR  63   5.728   7.178  -4.280
  483    H    LEU  64           H        LEU  64   7.688   7.261  -0.148
  484    HA   LEU  64           HA       LEU  64   5.470   8.753   1.172
  485   1HB   LEU  64          HB2       LEU  64   5.472   6.064   0.326
  486   2HB   LEU  64          HB3       LEU  64   5.780   6.008   2.050
  487    HG   LEU  64           HG       LEU  64   3.728   7.716   2.200
  488   1HD1  LEU  64          1HD1      LEU  64   3.492   8.083  -0.242
  489   2HD1  LEU  64          2HD1      LEU  64   3.277   6.342  -0.510
  490   3HD1  LEU  64          3HD1      LEU  64   2.054   7.248   0.395
  491   1HD2  LEU  64          1HD2      LEU  64   3.805   5.466   3.109
  492   2HD2  LEU  64          2HD2      LEU  64   2.238   5.779   2.357
  493   3HD2  LEU  64          3HD2      LEU  64   3.451   4.799   1.486
  494    H    LYS  65           H        LYS  65   8.716   7.518   1.669
  495    HA   LYS  65           HA       LYS  65   8.865   7.915   4.504
  496   1HB   LYS  65          HB2       LYS  65  10.839   8.127   2.255
  497   2HB   LYS  65          HB3       LYS  65  11.328   8.490   3.903
  498   1HG   LYS  65          HG2       LYS  65   9.934   5.855   3.197
  499   2HG   LYS  65          HG3       LYS  65  11.680   6.125   3.069
  500   1HD   LYS  65          HD2       LYS  65  11.770   6.693   5.485
  501   2HD   LYS  65          HD3       LYS  65  10.030   6.356   5.613
  502   1HE   LYS  65          HE2       LYS  65  10.450   4.035   4.784
  503   2HE   LYS  65          HE3       LYS  65  12.176   4.377   4.746
  504   1HZ   LYS  65          HZ1       LYS  65  10.447   4.396   7.146
  505   2HZ   LYS  65          HZ2       LYS  65  11.560   3.241   6.770
  506   3HZ   LYS  65          HZ3       LYS  65  12.044   4.765   7.152
  507    H    SER  66           H        SER  66   9.062  10.074   1.699
  508    HA   SER  66           HA       SER  66   9.192  12.583   3.206
  509   1HB   SER  66          HB2       SER  66   8.411  13.541   0.960
  510   2HB   SER  66          HB3       SER  66   9.995  12.744   0.985
  511    HG   SER  66           HG       SER  66   9.033  10.962   0.017
  512    HA   PRO  67           HA       PRO  67   5.129  11.743   4.535
  513   1HB   PRO  67          HB2       PRO  67   4.418  13.986   5.930
  514   2HB   PRO  67          HB3       PRO  67   5.775  12.932   6.442
  515   1HG   PRO  67          HG2       PRO  67   5.930  15.514   4.856
  516   2HG   PRO  67          HG3       PRO  67   6.887  15.026   6.284
  517   1HD   PRO  67          HD2       PRO  67   7.745  14.709   3.686
  518   2HD   PRO  67          HD3       PRO  67   8.237  13.600   5.019
  519    H    SER  68           H        SER  68   3.039  11.933   4.302
  520    HA   SER  68           HA       SER  68   1.992  12.273   1.878
  521   1HB   SER  68          HB2       SER  68   0.290  12.312   4.359
  522   2HB   SER  68          HB3       SER  68   0.072  11.390   2.853
  523    HG   SER  68           HG       SER  68   0.815  10.203   4.743
  524    H    SER  69           H        SER  69   2.848  15.028   3.052
  525    HA   SER  69           HA       SER  69   0.351  16.598   2.980
  526   1HB   SER  69          HB2       SER  69   1.844  17.314   4.617
  527   2HB   SER  69          HB3       SER  69   3.227  17.350   3.524
  528    HG   SER  69           HG       SER  69   2.227  19.425   3.938
  529    HA   PRO  70           HA       PRO  70   1.639  17.943  -1.320
  530   1HB   PRO  70          HB2       PRO  70   4.163  17.932  -2.297
  531   2HB   PRO  70          HB3       PRO  70   3.591  19.234  -1.220
  532   1HG   PRO  70          HG2       PRO  70   5.209  16.796  -0.461
  533   2HG   PRO  70          HG3       PRO  70   5.517  18.496  -0.014
  534   1HD   PRO  70          HD2       PRO  70   4.173  16.719   1.627
  535   2HD   PRO  70          HD3       PRO  70   3.814  18.481   1.595
  536    H    GLN  71           H        GLN  71   3.360  15.221   0.025
  537    HA   GLN  71           HA       GLN  71   3.587  13.636  -2.333
  538   1HB   GLN  71          HB2       GLN  71   3.758  12.854   0.625
  539   2HB   GLN  71          HB3       GLN  71   4.233  11.835  -0.711
  540   1HG   GLN  71          HG2       GLN  71   5.466  14.539   0.021
  541   2HG   GLN  71          HG3       GLN  71   6.170  12.952   0.260
  542   1HE2  GLN  71          2HE2      GLN  71   7.476  12.175  -1.384
  543   2HE2  GLN  71          1HE2      GLN  71   7.358  12.719  -3.082
  544    H    GLN  72           H        GLN  72   0.776  14.429  -0.813
  545    HA   GLN  72           HA       GLN  72  -0.838  12.114  -1.205
  546   1HB   GLN  72          HB2       GLN  72  -2.649  13.594  -0.963
  547   2HB   GLN  72          HB3       GLN  72  -1.382  14.238   0.047
  548   1HG   GLN  72          HG2       GLN  72  -2.144  16.174  -0.879
  549   2HG   GLN  72          HG3       GLN  72  -0.876  15.812  -2.035
  550   1HE2  GLN  72          2HE2      GLN  72  -4.369  15.116  -1.435
  551   2HE2  GLN  72          1HE2      GLN  72  -4.885  15.224  -3.094
  552    H    GLN  73           H        GLN  73   0.682  14.293  -3.463
  553    HA   GLN  73           HA       GLN  73  -1.020  14.047  -5.708
  554   1HB   GLN  73          HB2       GLN  73   1.967  14.488  -5.351
  555   2HB   GLN  73          HB3       GLN  73   1.207  14.508  -6.944
  556   1HG   GLN  73          HG2       GLN  73   0.292  16.350  -4.687
  557   2HG   GLN  73          HG3       GLN  73   1.538  16.768  -5.862
  558   1HE2  GLN  73          2HE2      GLN  73  -2.001  16.300  -5.452
  559   2HE2  GLN  73          1HE2      GLN  73  -2.329  16.809  -7.104
  560    H    GLN  74           H        GLN  74  -0.794  12.942  -7.575
  561    HA   GLN  74           HA       GLN  74  -0.621  10.209  -7.744
  562   1HB   GLN  74          HB2       GLN  74  -0.544  10.540 -10.165
  563   2HB   GLN  74          HB3       GLN  74  -1.739  11.548  -9.384
  564   1HG   GLN  74          HG2       GLN  74   1.026  12.523 -10.274
  565   2HG   GLN  74          HG3       GLN  74  -0.417  12.649 -11.261
  566   1HE2  GLN  74          2HE2      GLN  74   1.232  14.967 -10.357
  567   2HE2  GLN  74          1HE2      GLN  74   0.183  15.817  -9.226
  568    H    GLN  75           H        GLN  75   2.133  11.906  -7.017
  569    HA   GLN  75           HA       GLN  75   4.104  10.456  -8.568
  570   1HB   GLN  75          HB2       GLN  75   5.696  11.257  -6.888
  571   2HB   GLN  75          HB3       GLN  75   4.654  12.564  -7.440
  572   1HG   GLN  75          HG2       GLN  75   4.426  13.081  -5.289
  573   2HG   GLN  75          HG3       GLN  75   3.257  11.751  -5.203
  574   1HE2  GLN  75          2HE2      GLN  75   3.549  11.262  -2.989
  575   2HE2  GLN  75          1HE2      GLN  75   5.100  10.653  -2.441
  576    H    VAL  76           H        VAL  76   2.192   9.638  -5.646
  577    HA   VAL  76           HA       VAL  76   3.857   7.284  -5.155
  578    HB   VAL  76           HB       VAL  76   0.923   7.323  -4.460
  579   1HG1  VAL  76          1HG1      VAL  76   3.384   6.307  -3.017
  580   2HG1  VAL  76          2HG1      VAL  76   1.688   5.917  -2.629
  581   3HG1  VAL  76          3HG1      VAL  76   2.415   5.331  -4.137
  582   1HG2  VAL  76          1HG2      VAL  76   2.999   8.669  -2.713
  583   2HG2  VAL  76          2HG2      VAL  76   1.578   9.450  -3.498
  584   3HG2  VAL  76          3HG2      VAL  76   1.354   8.203  -2.248
  585    H    LEU  77           H        LEU  77   0.752   7.925  -6.795
  586    HA   LEU  77           HA       LEU  77   0.191   5.373  -7.575
  587   1HB   LEU  77          HB2       LEU  77  -1.249   7.430  -7.613
  588   2HB   LEU  77          HB3       LEU  77  -0.452   7.954  -9.068
  589    HG   LEU  77           HG       LEU  77  -2.699   7.006  -9.405
  590   1HD1  LEU  77          1HD1      LEU  77  -0.970   6.911 -11.231
  591   2HD1  LEU  77          2HD1      LEU  77  -0.731   5.194 -10.809
  592   3HD1  LEU  77          3HD1      LEU  77  -2.323   5.755 -11.344
  593   1HD2  LEU  77          1HD2      LEU  77  -3.107   4.617  -9.270
  594   2HD2  LEU  77          2HD2      LEU  77  -1.495   4.319  -8.613
  595   3HD2  LEU  77          3HD2      LEU  77  -2.681   5.257  -7.666
  596    H    ASN  78           H        ASN  78   2.055   7.852  -9.301
  597    HA   ASN  78           HA       ASN  78   2.635   6.502 -11.673
  598   1HB   ASN  78          HB2       ASN  78   2.999   8.942 -11.224
  599   2HB   ASN  78          HB3       ASN  78   4.389   8.532 -10.215
  600   1HD2  ASN  78          2HD2      ASN  78   6.237   9.100 -11.395
  601   2HD2  ASN  78          1HD2      ASN  78   6.425   8.677 -13.101
  602    H    ILE  79           H        ILE  79   4.290   6.134  -8.518
  603    HA   ILE  79           HA       ILE  79   6.236   4.305  -9.828
  604    HB   ILE  79           HB       ILE  79   6.131   5.044  -6.910
  605   1HG1  ILE  79          2HG1      ILE  79   8.130   6.283  -8.813
  606   2HG1  ILE  79          3HG1      ILE  79   6.538   7.026  -8.718
  607   1HG2  ILE  79          1HG2      ILE  79   8.515   4.303  -7.032
  608   2HG2  ILE  79          2HG2      ILE  79   7.427   2.994  -7.554
  609   3HG2  ILE  79          3HG2      ILE  79   8.334   3.945  -8.742
  610   1HD1  ILE  79          1HD1      ILE  79   6.724   7.225  -6.269
  611   2HD1  ILE  79          2HD1      ILE  79   8.409   6.638  -6.376
  612   3HD1  ILE  79          3HD1      ILE  79   7.929   8.160  -7.155
  613    H    LEU  80           H        LEU  80   3.524   4.212  -7.567
  614    HA   LEU  80           HA       LEU  80   3.343   1.600  -6.713
  615   1HB   LEU  80          HB2       LEU  80   1.467   3.798  -7.473
  616   2HB   LEU  80          HB3       LEU  80   0.731   2.235  -7.437
  617    HG   LEU  80           HG       LEU  80   2.329   3.221  -5.052
  618   1HD1  LEU  80          1HD1      LEU  80  -0.663   3.640  -5.623
  619   2HD1  LEU  80          2HD1      LEU  80   0.164   3.906  -4.067
  620   3HD1  LEU  80          3HD1      LEU  80   0.572   4.909  -5.460
  621   1HD2  LEU  80          1HD2      LEU  80  -0.037   1.334  -5.370
  622   2HD2  LEU  80          2HD2      LEU  80   1.641   0.776  -5.296
  623   3HD2  LEU  80          3HD2      LEU  80   0.937   1.631  -3.894
  624    H    LYS  81           H        LYS  81   2.236   2.805  -9.901
  625    HA   LYS  81           HA       LYS  81   1.077   0.413 -10.789
  626   1HB   LYS  81          HB2       LYS  81   0.996   1.402 -12.922
  627   2HB   LYS  81          HB3       LYS  81   0.845   2.710 -11.744
  628   1HG   LYS  81          HG2       LYS  81   3.339   3.132 -12.066
  629   2HG   LYS  81          HG3       LYS  81   3.303   1.977 -13.405
  630   1HD   LYS  81          HD2       LYS  81   1.375   3.440 -14.357
  631   2HD   LYS  81          HD3       LYS  81   1.879   4.660 -13.195
  632   1HE   LYS  81          HE2       LYS  81   3.767   3.349 -15.187
  633   2HE   LYS  81          HE3       LYS  81   2.859   4.802 -15.604
  634   1HZ   LYS  81          HZ1       LYS  81   4.061   6.040 -13.999
  635   2HZ   LYS  81          HZ2       LYS  81   4.585   4.772 -13.209
  636   3HZ   LYS  81          HZ3       LYS  81   5.215   5.113 -14.693
  637    H    SER  82           H        SER  82   4.411   0.865 -10.320
  638    HA   SER  82           HA       SER  82   5.423  -0.637 -12.569
  639   1HB   SER  82          HB2       SER  82   7.599  -0.448 -11.491
  640   2HB   SER  82          HB3       SER  82   6.749   1.117 -11.520
  641    HG   SER  82           HG       SER  82   6.356   0.957  -9.389
  642    H    ASN  83           H        ASN  83   5.356  -1.583  -9.091
  643    HA   ASN  83           HA       ASN  83   5.703  -4.412  -9.941
  644   1HB   ASN  83          HB2       ASN  83   7.058  -3.685  -8.060
  645   2HB   ASN  83          HB3       ASN  83   5.636  -3.259  -7.131
  646   1HD2  ASN  83          2HD2      ASN  83   7.729  -5.291  -6.415
  647   2HD2  ASN  83          1HD2      ASN  83   7.106  -6.855  -6.695
  648    HA   PRO  84           HA       PRO  84   1.199  -4.147 -10.207
  649   1HB   PRO  84          HB2       PRO  84   1.364  -7.044 -10.929
  650   2HB   PRO  84          HB3       PRO  84   0.639  -5.690 -11.843
  651   1HG   PRO  84          HG2       PRO  84   2.984  -6.809 -12.648
  652   2HG   PRO  84          HG3       PRO  84   2.739  -5.032 -12.731
  653   1HD   PRO  84          HD2       PRO  84   4.137  -6.604 -10.537
  654   2HD   PRO  84          HD3       PRO  84   4.708  -5.189 -11.456
  655    H    GLN  85           H        GLN  85   3.006  -6.658  -8.489
  656    HA   GLN  85           HA       GLN  85   0.762  -7.636  -6.911
  657   1HB   GLN  85          HB2       GLN  85   3.723  -7.876  -6.321
  658   2HB   GLN  85          HB3       GLN  85   2.442  -8.893  -5.683
  659   1HG   GLN  85          HG2       GLN  85   2.055  -9.996  -7.752
  660   2HG   GLN  85          HG3       GLN  85   3.041  -8.852  -8.682
  661   1HE2  GLN  85          1HE2      GLN  85   5.284  -8.569  -7.175
  662   2HE2  GLN  85          2HE2      GLN  85   6.168 -10.061  -7.106
  663    H    LEU  86           H        LEU  86   3.436  -5.308  -6.406
  664    HA   LEU  86           HA       LEU  86   2.716  -4.542  -3.698
  665   1HB   LEU  86          HB2       LEU  86   4.884  -3.983  -4.766
  666   2HB   LEU  86          HB3       LEU  86   4.039  -2.810  -5.781
  667    HG   LEU  86           HG       LEU  86   5.337  -2.013  -3.731
  668   1HD1  LEU  86          1HD1      LEU  86   2.515  -0.942  -3.993
  669   2HD1  LEU  86          2HD1      LEU  86   3.939  -0.143  -3.333
  670   3HD1  LEU  86          3HD1      LEU  86   3.884  -0.554  -5.068
  671   1HD2  LEU  86          1HD2      LEU  86   4.377  -3.460  -1.939
  672   2HD2  LEU  86          2HD2      LEU  86   4.139  -1.735  -1.629
  673   3HD2  LEU  86          3HD2      LEU  86   2.794  -2.708  -2.208
  674    H    MET  87           H        MET  87   1.717  -3.333  -6.944
  675    HA   MET  87           HA       MET  87  -0.059  -1.338  -6.006
  676   1HB   MET  87          HB2       MET  87   0.826  -2.207  -8.465
  677   2HB   MET  87          HB3       MET  87  -0.880  -2.712  -8.512
  678   1HG   MET  87          HG2       MET  87   0.104   0.061  -7.740
  679   2HG   MET  87          HG3       MET  87  -0.384  -0.367  -9.363
  680   1HE   MET  87          HE1       MET  87  -1.529   2.016  -7.302
  681   2HE   MET  87          HE2       MET  87  -1.677   1.813  -9.068
  682   3HE   MET  87          HE3       MET  87  -3.134   2.014  -8.038
  683    H    ALA  88           H        ALA  88  -0.869  -4.743  -6.884
  684    HA   ALA  88           HA       ALA  88  -3.545  -4.606  -5.946
  685   1HB   ALA  88          HB1       ALA  88  -2.661  -6.392  -7.415
  686   2HB   ALA  88          HB2       ALA  88  -1.641  -6.995  -6.081
  687   3HB   ALA  88          HB3       ALA  88  -3.406  -7.088  -5.961
  688    H    ALA  89           H        ALA  89  -0.544  -5.553  -4.177
  689    HA   ALA  89           HA       ALA  89  -1.720  -6.156  -1.701
  690   1HB   ALA  89          HB1       ALA  89   0.613  -6.708  -2.249
  691   2HB   ALA  89          HB2       ALA  89   1.043  -4.976  -2.234
  692   3HB   ALA  89          HB3       ALA  89   0.501  -5.759  -0.751
  693    H    PHE  90           H        PHE  90  -0.437  -2.998  -2.878
  694    HA   PHE  90           HA       PHE  90  -1.076  -1.299  -0.757
  695   1HB   PHE  90          HB2       PHE  90   0.199  -0.579  -2.648
  696   2HB   PHE  90          HB3       PHE  90  -1.142  -0.826  -3.737
  697    HD1  PHE  90           HD1      PHE  90  -0.322   1.018  -0.573
  698    HD2  PHE  90           HD2      PHE  90  -2.503   1.071  -4.270
  699    HE1  PHE  90           HE1      PHE  90  -0.805   3.460  -0.269
  700    HE2  PHE  90           HE2      PHE  90  -2.950   3.486  -3.969
  701    HZ   PHE  90           HZ       PHE  90  -1.934   4.708  -2.001
  702    H    ILE  91           H        ILE  91  -3.168  -1.998  -3.676
  703    HA   ILE  91           HA       ILE  91  -5.500  -0.771  -2.751
  704    HB   ILE  91           HB       ILE  91  -5.135  -3.112  -4.631
  705   1HG1  ILE  91          2HG1      ILE  91  -5.889  -0.184  -5.103
  706   2HG1  ILE  91          3HG1      ILE  91  -4.255  -0.790  -5.240
  707   1HG2  ILE  91          1HG2      ILE  91  -7.504  -2.735  -5.361
  708   2HG2  ILE  91          2HG2      ILE  91  -7.411  -3.327  -3.719
  709   3HG2  ILE  91          3HG2      ILE  91  -7.716  -1.598  -4.020
  710   1HD1  ILE  91          1HD1      ILE  91  -5.031  -2.317  -7.093
  711   2HD1  ILE  91          2HD1      ILE  91  -6.624  -1.507  -6.998
  712   3HD1  ILE  91          3HD1      ILE  91  -5.207  -0.578  -7.440
  713    H    LYS  92           H        LYS  92  -4.695  -4.274  -2.306
  714    HA   LYS  92           HA       LYS  92  -6.983  -4.948  -0.844
  715   1HB   LYS  92          HB2       LYS  92  -5.429  -6.600  -1.820
  716   2HB   LYS  92          HB3       LYS  92  -4.162  -6.090  -0.730
  717   1HG   LYS  92          HG2       LYS  92  -4.971  -8.152   0.036
  718   2HG   LYS  92          HG3       LYS  92  -5.514  -6.973   1.211
  719   1HD   LYS  92          HD2       LYS  92  -7.301  -7.916  -1.053
  720   2HD   LYS  92          HD3       LYS  92  -7.125  -8.869   0.439
  721   1HE   LYS  92          HE2       LYS  92  -8.053  -7.196   1.807
  722   2HE   LYS  92          HE3       LYS  92  -7.923  -5.953   0.550
  723   1HZ   LYS  92          HZ1       LYS  92  -9.644  -7.011  -0.677
  724   2HZ   LYS  92          HZ2       LYS  92  -9.670  -8.317   0.222
  725   3HZ   LYS  92          HZ3       LYS  92 -10.195  -6.929   0.869
  726    H    GLN  93           H        GLN  93  -3.760  -4.119   0.438
  727    HA   GLN  93           HA       GLN  93  -4.483  -4.234   3.186
  728   1HB   GLN  93          HB2       GLN  93  -2.212  -4.664   2.416
  729   2HB   GLN  93          HB3       GLN  93  -2.140  -3.068   1.656
  730   1HG   GLN  93          HG2       GLN  93  -0.807  -3.073   3.620
  731   2HG   GLN  93          HG3       GLN  93  -2.184  -1.960   3.729
  732   1HE2  GLN  93          1HE2      GLN  93  -0.792  -2.524   5.971
  733   2HE2  GLN  93          2HE2      GLN  93  -1.803  -3.493   7.047
  734    H    ARG  94           H        ARG  94  -4.235  -1.413   0.939
  735    HA   ARG  94           HA       ARG  94  -4.857   0.599   2.890
  736   1HB   ARG  94          HB2       ARG  94  -5.362   0.486  -0.091
  737   2HB   ARG  94          HB3       ARG  94  -5.789   1.866   0.897
  738   1HG   ARG  94          HG2       ARG  94  -2.999   0.813   0.345
  739   2HG   ARG  94          HG3       ARG  94  -3.703   2.320  -0.210
  740   1HD   ARG  94          HD2       ARG  94  -2.863   1.574   2.589
  741   2HD   ARG  94          HD3       ARG  94  -2.122   2.749   1.490
  742    HE   ARG  94           HE       ARG  94  -4.676   3.712   1.826
  743   1HH1  ARG  94          2HH1      ARG  94  -1.752   3.414   3.736
  744   2HH1  ARG  94          1HH1      ARG  94  -2.340   4.551   4.945
  745   1HH2  ARG  94          1HH2      ARG  94  -5.263   5.249   3.498
  746   2HH2  ARG  94          2HH2      ARG  94  -4.088   5.489   4.802
  747    H    THR  95           H        THR  95  -6.971  -1.400   0.764
  748    HA   THR  95           HA       THR  95  -9.411  -0.220   1.730
  749    HB   THR  95           HB       THR  95  -9.335  -3.143   0.954
  750    HG1  THR  95           HG1      THR  95  -8.168  -2.007  -0.738
  751   1HG2  THR  95          1HG2      THR  95 -11.442  -1.898   1.656
  752   2HG2  THR  95          2HG2      THR  95 -11.220  -0.851   0.256
  753   3HG2  THR  95          3HG2      THR  95 -11.517  -2.577  -0.011
  754    H    ALA  96           H        ALA  96  -7.697  -3.166   2.906
  755    HA   ALA  96           HA       ALA  96  -9.285  -3.540   5.247
  756   1HB   ALA  96          HB1       ALA  96  -6.299  -4.045   4.854
  757   2HB   ALA  96          HB2       ALA  96  -7.337  -4.749   6.109
  758   3HB   ALA  96          HB3       ALA  96  -7.610  -5.180   4.421
  759    H    LYS  97           H        LYS  97  -6.409  -1.400   4.844
  760    HA   LYS  97           HA       LYS  97  -6.237  -0.379   7.409
  761   1HB   LYS  97          HB2       LYS  97  -4.799   0.128   5.256
  762   2HB   LYS  97          HB3       LYS  97  -5.929   1.446   4.997
  763   1HG   LYS  97          HG2       LYS  97  -3.839   2.114   6.156
  764   2HG   LYS  97          HG3       LYS  97  -5.289   2.538   7.068
  765   1HD   LYS  97          HD2       LYS  97  -3.389   1.595   8.420
  766   2HD   LYS  97          HD3       LYS  97  -4.919   0.766   8.671
  767   1HE   LYS  97          HE2       LYS  97  -4.275  -1.076   7.276
  768   2HE   LYS  97          HE3       LYS  97  -2.930  -0.137   6.628
  769   1HZ   LYS  97          HZ1       LYS  97  -2.265  -1.808   8.345
  770   2HZ   LYS  97          HZ2       LYS  97  -1.850  -0.262   8.773
  771   3HZ   LYS  97          HZ3       LYS  97  -3.135  -1.161   9.417
  772    H    TYR  98           H        TYR  98  -8.873   0.263   5.296
  773    HA   TYR  98           HA       TYR  98  -9.850   2.422   7.130
  774   1HB   TYR  98          HB2       TYR  98 -10.716   1.364   4.426
  775   2HB   TYR  98          HB3       TYR  98 -11.442   2.785   5.193
  776    HD1  TYR  98           HD1      TYR  98  -8.589   3.822   6.274
  777    HD2  TYR  98           HD2      TYR  98  -9.968   2.285   2.492
  778    HE1  TYR  98           HE1      TYR  98  -6.909   5.132   5.152
  779    HE2  TYR  98           HE2      TYR  98  -8.456   3.809   1.289
  780    HH   TYR  98           HH       TYR  98  -6.430   5.173   1.763
  781    H    VAL  99           H        VAL  99 -10.420  -0.973   6.670
  782    HA   VAL  99           HA       VAL  99 -13.214  -0.655   7.009
  783    HB   VAL  99           HB       VAL  99 -13.561  -2.956   7.276
  784   1HG1  VAL  99          1HG1      VAL  99 -11.373  -2.535   5.205
  785   2HG1  VAL  99          2HG1      VAL  99 -12.834  -3.571   5.107
  786   3HG1  VAL  99          3HG1      VAL  99 -12.949  -1.807   5.034
  787   1HG2  VAL  99          1HG2      VAL  99 -11.825  -4.626   7.322
  788   2HG2  VAL  99          2HG2      VAL  99 -10.565  -3.375   7.344
  789   3HG2  VAL  99          3HG2      VAL  99 -11.647  -3.585   8.749
  790    H    ALA 100           H        ALA 100 -10.938  -1.155   9.565
  791    HA   ALA 100           HA       ALA 100 -13.203  -0.310  11.381
  792   1HB   ALA 100          HB1       ALA 100 -10.612  -1.100  12.644
  793   2HB   ALA 100          HB2       ALA 100 -12.241  -1.019  13.292
  794   3HB   ALA 100          HB3       ALA 100 -11.832  -2.312  12.154
  795    H    ASN 101           H        ASN 101 -12.103   1.505   9.413
  796    HA   ASN 101           HA       ASN 101 -11.322   3.570   9.030
  797   1HB   ASN 101          HB2       ASN 101 -12.529   4.130  11.252
  798   2HB   ASN 101          HB3       ASN 101 -10.894   4.067  11.961
  799   1HD2  ASN 101          1HD2      ASN 101  -9.229   5.667  11.137
  800   2HD2  ASN 101          2HD2      ASN 101  -9.893   7.120  10.391
  801    H    GLN 102           H        GLN 102  -9.638   1.877  11.505
  802    HA   GLN 102           HA       GLN 102  -7.202   1.391  10.015
  803   1HB   GLN 102          HB2       GLN 102  -7.137   2.743  12.738
  804   2HB   GLN 102          HB3       GLN 102  -5.882   1.659  12.163
  805   1HG   GLN 102          HG2       GLN 102  -4.938   3.537  11.364
  806   2HG   GLN 102          HG3       GLN 102  -5.931   3.219   9.968
  807   1HE2  GLN 102          1HE2      GLN 102  -4.963   5.749  10.237
  808   2HE2  GLN 102          2HE2      GLN 102  -6.243   6.806  10.833
  809    HA   PRO 103           HA       PRO 103  -9.791  -2.138  10.982
  810   1HB   PRO 103          HB2       PRO 103  -8.300  -4.176  10.110
  811   2HB   PRO 103          HB3       PRO 103  -9.100  -2.962   9.078
  812   1HG   PRO 103          HG2       PRO 103  -6.249  -2.925  10.128
  813   2HG   PRO 103          HG3       PRO 103  -6.750  -2.797   8.405
  814   1HD   PRO 103          HD2       PRO 103  -6.284  -0.562   9.754
  815   2HD   PRO 103          HD3       PRO 103  -7.798  -0.671   8.782
  816    H    GLY 104           H        GLY 104  -6.897  -1.532  12.750
  817   1HA   GLY 104          HA2       GLY 104  -5.873  -2.358  14.642
  818   2HA   GLY 104          HA3       GLY 104  -7.256  -3.422  14.866
  819    H    MET 105           H        MET 105  -7.233  -5.064  12.825
  820    HA   MET 105           HA       MET 105  -5.058  -6.899  13.437
  821   1HB   MET 105          HB2       MET 105  -6.416  -8.530  12.262
  822   2HB   MET 105          HB3       MET 105  -7.460  -7.531  13.286
  823   1HG   MET 105          HG2       MET 105  -7.911  -6.133  11.160
  824   2HG   MET 105          HG3       MET 105  -7.089  -7.402  10.272
  825   1HE   MET 105          HE1       MET 105  -9.759  -7.386  13.259
  826   2HE   MET 105          HE2       MET 105 -10.286  -6.195  12.054
  827   3HE   MET 105          HE3       MET 105 -11.215  -7.706  12.317
  828    H    GLN 106           H        GLN 106  -5.037  -4.493  11.138
  829    HA   GLN 106           HA       GLN 106  -3.070  -5.807   9.405
  830   1HB   GLN 106          HB2       GLN 106  -5.840  -4.930   8.508
  831   2HB   GLN 106          HB3       GLN 106  -4.492  -4.721   7.418
  832   1HG   GLN 106          HG2       GLN 106  -5.427  -7.358   8.619
  833   2HG   GLN 106          HG3       GLN 106  -5.760  -6.780   6.989
  834   1HE2  GLN 106          1HE2      GLN 106  -3.131  -5.885   6.108
  835   2HE2  GLN 106          2HE2      GLN 106  -2.128  -7.342   6.190
  Start of MODEL   10
    1   1H    GLU   1          H1        GLU   1  17.159  -7.480  -5.874
    2   2H    GLU   1          H2        GLU   1  18.270  -7.361  -7.111
    3   3H    GLU   1          H3        GLU   1  16.839  -6.526  -7.170
    4    HA   GLU   1           HA       GLU   1  15.736  -8.774  -6.971
    5   1HB   GLU   1          HB2       GLU   1  15.556  -7.351  -8.922
    6   2HB   GLU   1          HB3       GLU   1  17.113  -7.933  -9.546
    7   1HG   GLU   1          HG2       GLU   1  16.224 -10.109  -9.986
    8   2HG   GLU   1          HG3       GLU   1  14.831  -9.854  -8.936
    9    H    GLY   2           H        GLY   2  16.333 -10.540  -6.096
   10   1HA   GLY   2          HA2       GLY   2  18.399 -12.288  -7.368
   11   2HA   GLY   2          HA3       GLY   2  18.268 -12.177  -5.598
   12    H    GLN   3           H        GLN   3  15.730 -12.045  -8.009
   13    HA   GLN   3           HA       GLN   3  13.667 -12.838  -8.172
   14   1HB   GLN   3          HB2       GLN   3  15.299 -15.404  -7.942
   15   2HB   GLN   3          HB3       GLN   3  13.629 -15.375  -8.437
   16   1HG   GLN   3          HG2       GLN   3  14.853 -15.385 -10.459
   17   2HG   GLN   3          HG3       GLN   3  14.222 -13.738 -10.283
   18   1HE2  GLN   3          2HE2      GLN   3  17.237 -15.747 -10.120
   19   2HE2  GLN   3          1HE2      GLN   3  18.250 -14.303 -10.272
   20    H    SER   4           H        SER   4  14.981 -13.251  -5.221
   21    HA   SER   4           HA       SER   4  12.554 -14.281  -3.843
   22   1HB   SER   4          HB2       SER   4  15.361 -14.413  -2.745
   23   2HB   SER   4          HB3       SER   4  13.987 -15.499  -2.472
   24    HG   SER   4           HG       SER   4  15.610 -15.305  -4.800
   25    H    ASP   5           H        ASP   5  14.962 -11.686  -3.902
   26    HA   ASP   5           HA       ASP   5  14.737 -10.697  -1.232
   27   1HB   ASP   5          HB2       ASP   5  15.776  -8.692  -2.133
   28   2HB   ASP   5          HB3       ASP   5  16.621 -10.147  -2.673
   29    H    GLU   6           H        GLU   6  12.816 -10.384  -4.089
   30    HA   GLU   6           HA       GLU   6  11.085  -8.274  -3.783
   31   1HB   GLU   6          HB2       GLU   6  10.873  -9.801  -5.599
   32   2HB   GLU   6          HB3       GLU   6  10.674 -11.194  -4.557
   33   1HG   GLU   6          HG2       GLU   6   8.591  -8.978  -4.511
   34   2HG   GLU   6          HG3       GLU   6   8.635 -10.079  -5.870
   35    H    ARG   7           H        ARG   7  10.953 -11.340  -1.841
   36    HA   ARG   7           HA       ARG   7   8.433 -10.540  -0.741
   37   1HB   ARG   7          HB2       ARG   7   9.101 -12.899  -0.616
   38   2HB   ARG   7          HB3       ARG   7  10.557 -12.499   0.281
   39   1HG   ARG   7          HG2       ARG   7   9.204 -13.438   1.856
   40   2HG   ARG   7          HG3       ARG   7   9.103 -11.740   2.222
   41   1HD   ARG   7          HD2       ARG   7   6.931 -13.419   0.858
   42   2HD   ARG   7          HD3       ARG   7   6.987 -12.805   2.528
   43    HE   ARG   7           HE       ARG   7   6.409 -10.805   1.991
   44   1HH1  ARG   7          2HH2      ARG   7   6.796 -12.445  -1.023
   45   2HH1  ARG   7          1HH2      ARG   7   6.245 -11.131  -1.985
   46   1HH2  ARG   7          2HH1      ARG   7   5.255  -9.425   0.980
   47   2HH2  ARG   7          1HH1      ARG   7   4.875  -9.503  -0.747
   48    H    ALA   8           H        ALA   8  11.692 -10.021   0.579
   49    HA   ALA   8           HA       ALA   8  10.655  -8.572   2.884
   50   1HB   ALA   8          HB1       ALA   8  12.998  -7.908   3.228
   51   2HB   ALA   8          HB2       ALA   8  12.881  -9.654   2.917
   52   3HB   ALA   8          HB3       ALA   8  13.438  -8.569   1.632
   53    H    LEU   9           H        LEU   9  11.750  -7.584  -0.398
   54    HA   LEU   9           HA       LEU   9  11.568  -4.753   0.148
   55   1HB   LEU   9          HB2       LEU   9  11.187  -6.178  -2.527
   56   2HB   LEU   9          HB3       LEU   9  11.507  -4.465  -2.290
   57    HG   LEU   9           HG       LEU   9  13.465  -6.740  -1.683
   58   1HD1  LEU   9          1HD1      LEU   9  13.413  -4.658  -3.915
   59   2HD1  LEU   9          2HD1      LEU   9  14.671  -5.899  -3.655
   60   3HD1  LEU   9          3HD1      LEU   9  13.022  -6.377  -4.099
   61   1HD2  LEU   9          1HD2      LEU   9  13.892  -4.903  -0.174
   62   2HD2  LEU   9          2HD2      LEU   9  15.115  -4.899  -1.457
   63   3HD2  LEU   9          3HD2      LEU   9  13.754  -3.745  -1.527
   64    H    LEU  10           H        LEU  10   9.195  -7.048  -1.314
   65    HA   LEU  10           HA       LEU  10   7.101  -5.142  -1.685
   66   1HB   LEU  10          HB2       LEU  10   7.243  -7.281  -2.869
   67   2HB   LEU  10          HB3       LEU  10   7.113  -8.176  -1.356
   68    HG   LEU  10           HG       LEU  10   4.866  -7.397  -0.976
   69   1HD1  LEU  10          1HD1      LEU  10   4.829  -5.155  -1.958
   70   2HD1  LEU  10          2HD1      LEU  10   5.208  -5.825  -3.573
   71   3HD1  LEU  10          3HD1      LEU  10   3.645  -6.168  -2.792
   72   1HD2  LEU  10          1HD2      LEU  10   3.740  -8.451  -2.920
   73   2HD2  LEU  10          2HD2      LEU  10   5.247  -8.289  -3.861
   74   3HD2  LEU  10          3HD2      LEU  10   5.212  -9.380  -2.493
   75    H    ASP  11           H        ASP  11   7.858  -7.459   1.004
   76    HA   ASP  11           HA       ASP  11   5.625  -6.780   2.535
   77   1HB   ASP  11          HB2       ASP  11   8.275  -7.976   3.313
   78   2HB   ASP  11          HB3       ASP  11   7.093  -7.535   4.530
   79    H    GLN  12           H        GLN  12   8.957  -5.326   2.753
   80    HA   GLN  12           HA       GLN  12   8.039  -3.435   4.710
   81   1HB   GLN  12          HB2       GLN  12  10.191  -2.562   4.760
   82   2HB   GLN  12          HB3       GLN  12  10.390  -4.254   4.388
   83   1HG   GLN  12          HG2       GLN  12  11.836  -3.499   2.844
   84   2HG   GLN  12          HG3       GLN  12  10.422  -3.245   1.838
   85   1HE2  GLN  12          2HE2      GLN  12   9.421  -0.715   3.199
   86   2HE2  GLN  12          1HE2      GLN  12  10.745   0.412   2.821
   87    H    LEU  13           H        LEU  13   7.923  -3.335   1.177
   88    HA   LEU  13           HA       LEU  13   7.237  -0.502   1.154
   89   1HB   LEU  13          HB2       LEU  13   7.361  -2.693  -0.896
   90   2HB   LEU  13          HB3       LEU  13   6.210  -1.408  -1.173
   91    HG   LEU  13           HG       LEU  13   8.355  -1.066  -2.309
   92   1HD1  LEU  13          1HD1      LEU  13   7.801   1.114  -0.255
   93   2HD1  LEU  13          2HD1      LEU  13   8.560   1.289  -1.856
   94   3HD1  LEU  13          3HD1      LEU  13   6.852   0.840  -1.732
   95   1HD2  LEU  13          1HD2      LEU  13   9.580  -0.539   0.420
   96   2HD2  LEU  13          2HD2      LEU  13   9.971  -1.904  -0.679
   97   3HD2  LEU  13          3HD2      LEU  13  10.327  -0.242  -1.153
   98    H    HIS  14           H        HIS  14   5.202  -3.555   1.115
   99    HA   HIS  14           HA       HIS  14   2.816  -1.886   1.026
  100   1HB   HIS  14          HB2       HIS  14   1.475  -3.729   1.281
  101   2HB   HIS  14          HB3       HIS  14   2.793  -4.230   0.237
  102    HD2  HIS  14           HD2      HIS  14   3.604  -6.594   0.742
  103    HE1  HIS  14           HE1      HIS  14   2.786  -6.846   4.908
  104    HE2  HIS  14           HE2      HIS  14   3.763  -8.071   2.876
  105    H    THR  15           H        THR  15   4.820  -3.163   3.606
  106    HA   THR  15           HA       THR  15   3.288  -2.206   5.838
  107    HB   THR  15           HB       THR  15   6.329  -2.217   5.609
  108    HG1  THR  15           HG1      THR  15   5.524  -4.269   5.226
  109   1HG2  THR  15          1HG2      THR  15   6.249  -2.525   8.064
  110   2HG2  THR  15          2HG2      THR  15   5.510  -0.984   7.604
  111   3HG2  THR  15          3HG2      THR  15   4.488  -2.366   8.048
  112    H    LEU  16           H        LEU  16   5.922  -0.479   4.034
  113    HA   LEU  16           HA       LEU  16   5.580   2.022   5.233
  114   1HB   LEU  16          HB2       LEU  16   7.416   1.407   3.609
  115   2HB   LEU  16          HB3       LEU  16   6.224   1.358   2.318
  116    HG   LEU  16           HG       LEU  16   5.764   3.885   3.034
  117   1HD1  LEU  16          1HD1      LEU  16   8.661   3.489   3.862
  118   2HD1  LEU  16          2HD1      LEU  16   7.810   5.040   3.702
  119   3HD1  LEU  16          3HD1      LEU  16   7.297   3.874   4.934
  120   1HD2  LEU  16          1HD2      LEU  16   7.492   4.560   1.317
  121   2HD2  LEU  16          2HD2      LEU  16   7.964   2.848   1.244
  122   3HD2  LEU  16          3HD2      LEU  16   6.320   3.333   0.815
  123    H    LEU  17           H        LEU  17   3.893   0.977   2.206
  124    HA   LEU  17           HA       LEU  17   2.339   3.409   2.173
  125   1HB   LEU  17          HB2       LEU  17   1.740   0.746   0.842
  126   2HB   LEU  17          HB3       LEU  17   0.839   2.250   0.692
  127    HG   LEU  17           HG       LEU  17   1.964   2.073  -1.294
  128   1HD1  LEU  17          1HD1      LEU  17   3.398   3.946  -1.502
  129   2HD1  LEU  17          2HD1      LEU  17   2.110   4.335  -0.345
  130   3HD1  LEU  17          3HD1      LEU  17   3.755   3.946   0.232
  131   1HD2  LEU  17          1HD2      LEU  17   4.332   1.747  -1.625
  132   2HD2  LEU  17          2HD2      LEU  17   4.634   1.689   0.108
  133   3HD2  LEU  17          3HD2      LEU  17   3.660   0.398  -0.685
  134    H    SER  18           H        SER  18   1.857   0.675   4.212
  135    HA   SER  18           HA       SER  18  -0.959   1.577   4.735
  136   1HB   SER  18          HB2       SER  18  -1.659  -0.677   4.973
  137   2HB   SER  18          HB3       SER  18  -0.768  -0.527   3.441
  138    HG   SER  18           HG       SER  18   0.948  -1.534   4.352
  139    H    ASN  19           H        ASN  19   1.847   1.747   6.113
  140    HA   ASN  19           HA       ASN  19   2.257   0.748   8.454
  141   1HB   ASN  19          HB2       ASN  19   3.678   2.736   8.806
  142   2HB   ASN  19          HB3       ASN  19   3.609   2.360   7.112
  143   1HD2  ASN  19          1HD2      ASN  19   3.077   4.107   5.740
  144   2HD2  ASN  19          2HD2      ASN  19   2.345   5.587   6.385
  145    H    THR  20           H        THR  20  -0.590   2.182   8.220
  146    HA   THR  20           HA       THR  20  -2.278   2.515   9.750
  147    HB   THR  20           HB       THR  20  -2.058   3.716  11.892
  148    HG1  THR  20           HG1      THR  20   0.651   3.275  11.428
  149   1HG2  THR  20          1HG2      THR  20  -2.264   1.298  11.865
  150   2HG2  THR  20          2HG2      THR  20  -0.511   1.114  11.663
  151   3HG2  THR  20          3HG2      THR  20  -1.165   1.816  13.154
  152    H    ASP  21           H        ASP  21   0.049   4.919   8.562
  153    HA   ASP  21           HA       ASP  21  -1.643   7.152   8.912
  154   1HB   ASP  21          HB2       ASP  21   0.745   7.290   8.369
  155   2HB   ASP  21          HB3       ASP  21   0.431   6.629   6.763
  156    H    ALA  22           H        ALA  22  -2.740   8.326   7.432
  157    HA   ALA  22           HA       ALA  22  -3.724   7.259   4.892
  158   1HB   ALA  22          HB1       ALA  22  -5.423   6.395   6.459
  159   2HB   ALA  22          HB2       ALA  22  -5.696   8.051   7.061
  160   3HB   ALA  22          HB3       ALA  22  -6.119   7.620   5.391
  161    H    THR  23           H        THR  23  -2.513   9.874   6.600
  162    HA   THR  23           HA       THR  23  -4.134  11.978   6.259
  163    HB   THR  23           HB       THR  23  -1.084  12.025   6.034
  164    HG1  THR  23           HG1      THR  23  -1.555  10.847   7.814
  165   1HG2  THR  23          1HG2      THR  23  -1.220  14.113   7.326
  166   2HG2  THR  23          2HG2      THR  23  -1.986  14.256   5.725
  167   3HG2  THR  23          3HG2      THR  23  -2.990  14.084   7.185
  168    H    GLY  24           H        GLY  24  -1.783  11.085   3.761
  169   1HA   GLY  24          HA2       GLY  24  -3.500  12.627   1.826
  170   2HA   GLY  24          HA3       GLY  24  -1.768  12.425   1.626
  171    H    LEU  25           H        LEU  25  -2.272   9.548   2.707
  172    HA   LEU  25           HA       LEU  25  -2.517   8.123   0.209
  173   1HB   LEU  25          HB2       LEU  25  -2.689   7.388   3.135
  174   2HB   LEU  25          HB3       LEU  25  -2.935   6.165   1.876
  175    HG   LEU  25           HG       LEU  25  -0.476   7.882   1.623
  176   1HD1  LEU  25          1HD1      LEU  25   0.796   6.662   3.246
  177   2HD1  LEU  25          2HD1      LEU  25  -0.600   7.328   4.082
  178   3HD1  LEU  25          3HD1      LEU  25  -0.570   5.600   3.634
  179   1HD2  LEU  25          1HD2      LEU  25  -1.177   6.054   0.031
  180   2HD2  LEU  25          2HD2      LEU  25   0.440   5.832   0.732
  181   3HD2  LEU  25          3HD2      LEU  25  -0.936   4.880   1.351
  182    H    GLU  26           H        GLU  26  -4.880   9.365   2.533
  183    HA   GLU  26           HA       GLU  26  -7.185   8.096   1.869
  184   1HB   GLU  26          HB2       GLU  26  -8.264  10.337   2.377
  185   2HB   GLU  26          HB3       GLU  26  -7.103   9.766   3.568
  186   1HG   GLU  26          HG2       GLU  26  -6.547  11.967   3.521
  187   2HG   GLU  26          HG3       GLU  26  -5.347  11.307   2.435
  188    H    GLU  27           H        GLU  27  -5.693  10.646  -0.229
  189    HA   GLU  27           HA       GLU  27  -7.750  10.595  -2.187
  190   1HB   GLU  27          HB2       GLU  27  -5.797  12.257  -1.782
  191   2HB   GLU  27          HB3       GLU  27  -4.776  11.111  -2.619
  192   1HG   GLU  27          HG2       GLU  27  -5.427  12.761  -4.247
  193   2HG   GLU  27          HG3       GLU  27  -6.367  11.323  -4.639
  194    H    ILE  28           H        ILE  28  -4.647   8.877  -1.934
  195    HA   ILE  28           HA       ILE  28  -4.754   7.529  -4.466
  196    HB   ILE  28           HB       ILE  28  -3.397   6.378  -2.010
  197   1HG1  ILE  28          2HG1      ILE  28  -2.738   8.733  -1.912
  198   2HG1  ILE  28          3HG1      ILE  28  -1.391   7.704  -2.365
  199   1HG2  ILE  28          1HG2      ILE  28  -3.305   5.050  -4.042
  200   2HG2  ILE  28          2HG2      ILE  28  -2.682   6.429  -4.970
  201   3HG2  ILE  28          3HG2      ILE  28  -1.691   5.687  -3.695
  202   1HD1  ILE  28          1HD1      ILE  28  -1.552   8.428  -4.694
  203   2HD1  ILE  28          2HD1      ILE  28  -3.057   9.335  -4.345
  204   3HD1  ILE  28          3HD1      ILE  28  -1.534   9.848  -3.614
  205    H    ASP  29           H        ASP  29  -5.916   6.700  -1.219
  206    HA   ASP  29           HA       ASP  29  -6.802   4.033  -1.729
  207   1HB   ASP  29          HB2       ASP  29  -7.630   6.186   0.279
  208   2HB   ASP  29          HB3       ASP  29  -8.256   4.563   0.329
  209    H    ARG  30           H        ARG  30  -8.634   7.188  -1.722
  210    HA   ARG  30           HA       ARG  30 -10.994   5.885  -2.775
  211   1HB   ARG  30          HB2       ARG  30 -11.989   8.038  -3.008
  212   2HB   ARG  30          HB3       ARG  30 -11.142   7.938  -1.459
  213   1HG   ARG  30          HG2       ARG  30  -9.306   9.264  -2.296
  214   2HG   ARG  30          HG3       ARG  30 -10.020   9.391  -3.889
  215   1HD   ARG  30          HD2       ARG  30 -11.850  10.712  -3.088
  216   2HD   ARG  30          HD3       ARG  30 -11.571  10.233  -1.404
  217    HE   ARG  30           HE       ARG  30  -9.797  12.078  -2.961
  218   1HH1  ARG  30          1HH2      ARG  30 -10.456  10.701   0.326
  219   2HH1  ARG  30          2HH2      ARG  30  -9.404  11.978   0.907
  220   1HH2  ARG  30          1HH1      ARG  30  -8.519  13.560  -1.814
  221   2HH2  ARG  30          2HH1      ARG  30  -8.450  13.307  -0.103
  222    H    ALA  31           H        ALA  31  -8.286   7.503  -4.466
  223    HA   ALA  31           HA       ALA  31  -9.334   7.359  -7.093
  224   1HB   ALA  31          HB1       ALA  31  -6.983   7.527  -7.770
  225   2HB   ALA  31          HB2       ALA  31  -7.314   8.625  -6.430
  226   3HB   ALA  31          HB3       ALA  31  -6.450   7.087  -6.131
  227    H    LEU  32           H        LEU  32  -8.195   4.776  -5.011
  228    HA   LEU  32           HA       LEU  32  -8.497   2.776  -7.214
  229   1HB   LEU  32          HB2       LEU  32  -6.810   2.812  -4.716
  230   2HB   LEU  32          HB3       LEU  32  -7.088   1.342  -5.655
  231    HG   LEU  32           HG       LEU  32  -6.095   3.838  -7.069
  232   1HD1  LEU  32          1HD1      LEU  32  -4.345   1.830  -5.637
  233   2HD1  LEU  32          2HD1      LEU  32  -3.805   3.146  -6.722
  234   3HD1  LEU  32          3HD1      LEU  32  -4.616   3.554  -5.213
  235   1HD2  LEU  32          1HD2      LEU  32  -6.899   1.765  -8.335
  236   2HD2  LEU  32          2HD2      LEU  32  -5.254   2.300  -8.680
  237   3HD2  LEU  32          3HD2      LEU  32  -5.512   0.902  -7.621
  238    H    GLY  33           H        GLY  33 -10.517   4.177  -5.344
  239   1HA   GLY  33          HA2       GLY  33 -12.601   3.631  -4.542
  240   2HA   GLY  33          HA3       GLY  33 -12.403   2.056  -5.312
  241    H    ILE  34           H        ILE  34 -10.006   2.724  -2.927
  242    HA   ILE  34           HA       ILE  34 -10.593   0.345  -1.590
  243    HB   ILE  34           HB       ILE  34  -8.780   2.586  -0.624
  244   1HG1  ILE  34          2HG1      ILE  34  -8.421   0.138  -2.407
  245   2HG1  ILE  34          3HG1      ILE  34  -8.210   1.814  -2.884
  246   1HG2  ILE  34          1HG2      ILE  34  -9.419   1.015   1.178
  247   2HG2  ILE  34          2HG2      ILE  34  -8.940  -0.343   0.129
  248   3HG2  ILE  34          3HG2      ILE  34  -7.721   0.845   0.698
  249   1HD1  ILE  34          1HD1      ILE  34  -6.254   1.929  -1.255
  250   2HD1  ILE  34          2HD1      ILE  34  -6.441   0.154  -1.107
  251   3HD1  ILE  34          3HD1      ILE  34  -6.038   0.877  -2.673
  252    HA   PRO  35           HA       PRO  35 -12.910   2.716   1.949
  253   1HB   PRO  35          HB2       PRO  35 -14.022   4.883   0.161
  254   2HB   PRO  35          HB3       PRO  35 -13.801   4.883   1.935
  255   1HG   PRO  35          HG2       PRO  35 -11.964   6.117   0.433
  256   2HG   PRO  35          HG3       PRO  35 -11.385   4.952   1.685
  257   1HD   PRO  35          HD2       PRO  35 -11.800   4.423  -1.273
  258   2HD   PRO  35          HD3       PRO  35 -10.363   4.083  -0.269
  259    H    GLU  36           H        GLU  36 -14.047   2.418  -1.461
  260    HA   GLU  36           HA       GLU  36 -16.686   1.456  -0.625
  261   1HB   GLU  36          HB2       GLU  36 -15.854   2.449  -3.007
  262   2HB   GLU  36          HB3       GLU  36 -15.641   0.737  -3.336
  263   1HG   GLU  36          HG2       GLU  36 -18.175   2.174  -2.464
  264   2HG   GLU  36          HG3       GLU  36 -17.840   1.471  -4.037
  265    H    LEU  37           H        LEU  37 -13.607   0.004  -1.796
  266    HA   LEU  37           HA       LEU  37 -14.369  -2.721  -1.529
  267   1HB   LEU  37          HB2       LEU  37 -11.643  -1.483  -0.964
  268   2HB   LEU  37          HB3       LEU  37 -11.926  -3.191  -1.216
  269    HG   LEU  37           HG       LEU  37 -12.298  -0.998  -3.302
  270   1HD1  LEU  37          1HD1      LEU  37  -9.954  -1.593  -2.738
  271   2HD1  LEU  37          2HD1      LEU  37 -10.313  -3.291  -3.112
  272   3HD1  LEU  37          3HD1      LEU  37 -10.392  -2.060  -4.394
  273   1HD2  LEU  37          1HD2      LEU  37 -13.956  -2.778  -3.743
  274   2HD2  LEU  37          2HD2      LEU  37 -12.658  -2.786  -4.942
  275   3HD2  LEU  37          3HD2      LEU  37 -12.652  -4.008  -3.676
  276    H    VAL  38           H        VAL  38 -13.242  -0.539   1.027
  277    HA   VAL  38           HA       VAL  38 -13.469  -2.375   3.232
  278    HB   VAL  38           HB       VAL  38 -13.818   0.647   3.160
  279   1HG1  VAL  38          1HG1      VAL  38 -13.829  -1.302   5.468
  280   2HG1  VAL  38          2HG1      VAL  38 -13.292   0.377   5.689
  281   3HG1  VAL  38          3HG1      VAL  38 -14.933   0.046   5.133
  282   1HG2  VAL  38          1HG2      VAL  38 -11.512  -0.278   2.583
  283   2HG2  VAL  38          2HG2      VAL  38 -11.614   0.799   3.956
  284   3HG2  VAL  38          3HG2      VAL  38 -11.487  -0.983   4.216
  285    H    ASN  39           H        ASN  39 -15.897   0.048   2.116
  286    HA   ASN  39           HA       ASN  39 -18.050  -0.708   3.749
  287   1HB   ASN  39          HB2       ASN  39 -17.966   1.331   2.427
  288   2HB   ASN  39          HB3       ASN  39 -17.948   0.421   0.928
  289   1HD2  ASN  39          2HD2      ASN  39 -19.925   0.100  -0.078
  290   2HD2  ASN  39          1HD2      ASN  39 -21.457   0.181   0.801
  291    H    GLN  40           H        GLN  40 -17.186  -2.012   0.593
  292    HA   GLN  40           HA       GLN  40 -19.208  -3.997   0.305
  293   1HB   GLN  40          HB2       GLN  40 -17.600  -2.796  -1.381
  294   2HB   GLN  40          HB3       GLN  40 -16.454  -4.053  -0.951
  295   1HG   GLN  40          HG2       GLN  40 -17.605  -4.686  -2.972
  296   2HG   GLN  40          HG3       GLN  40 -18.185  -5.752  -1.699
  297   1HE2  GLN  40          2HE2      GLN  40 -19.113  -2.366  -2.964
  298   2HE2  GLN  40          1HE2      GLN  40 -20.788  -2.855  -3.066
  299    H    GLY  41           H        GLY  41 -16.376  -4.030   2.351
  300   1HA   GLY  41          HA2       GLY  41 -15.822  -5.624   3.918
  301   2HA   GLY  41          HA3       GLY  41 -16.858  -6.806   3.117
  302    H    GLN  42           H        GLN  42 -14.720  -5.358   0.901
  303    HA   GLN  42           HA       GLN  42 -13.540  -7.856   0.179
  304   1HB   GLN  42          HB2       GLN  42 -12.828  -5.004  -0.587
  305   2HB   GLN  42          HB3       GLN  42 -12.224  -6.436  -1.407
  306   1HG   GLN  42          HG2       GLN  42 -15.197  -5.817  -1.207
  307   2HG   GLN  42          HG3       GLN  42 -14.174  -5.246  -2.525
  308   1HE2  GLN  42          2HE2      GLN  42 -16.044  -7.968  -1.381
  309   2HE2  GLN  42          1HE2      GLN  42 -15.226  -9.138  -2.397
  310    H    ALA  43           H        ALA  43 -12.541  -5.643   2.609
  311    HA   ALA  43           HA       ALA  43  -9.739  -6.048   2.743
  312   1HB   ALA  43          HB1       ALA  43 -11.767  -5.933   5.014
  313   2HB   ALA  43          HB2       ALA  43 -10.013  -5.638   5.136
  314   3HB   ALA  43          HB3       ALA  43 -11.038  -4.521   4.228
  315    H    LEU  44           H        LEU  44 -12.410  -8.268   3.497
  316    HA   LEU  44           HA       LEU  44 -10.731 -10.263   4.814
  317   1HB   LEU  44          HB2       LEU  44 -13.586 -10.385   3.789
  318   2HB   LEU  44          HB3       LEU  44 -12.804 -11.572   4.819
  319    HG   LEU  44           HG       LEU  44 -13.386  -8.686   5.614
  320   1HD1  LEU  44          1HD1      LEU  44 -15.074  -9.673   7.081
  321   2HD1  LEU  44          2HD1      LEU  44 -15.426 -10.055   5.393
  322   3HD1  LEU  44          3HD1      LEU  44 -14.714 -11.293   6.443
  323   1HD2  LEU  44          1HD2      LEU  44 -11.410  -9.552   6.839
  324   2HD2  LEU  44          2HD2      LEU  44 -12.803  -9.435   7.911
  325   3HD2  LEU  44          3HD2      LEU  44 -12.309 -11.022   7.270
  326    H    GLU  45           H        GLU  45 -11.311  -9.611   1.443
  327    HA   GLU  45           HA       GLU  45 -11.027 -12.443   0.641
  328   1HB   GLU  45          HB2       GLU  45 -11.329  -9.813  -0.841
  329   2HB   GLU  45          HB3       GLU  45 -10.782 -11.257  -1.678
  330   1HG   GLU  45          HG2       GLU  45 -12.811 -12.478  -0.778
  331   2HG   GLU  45          HG3       GLU  45 -13.413 -10.928  -0.173
  332    HA   PRO  46           HA       PRO  46  -6.614 -12.403   0.303
  333   1HB   PRO  46          HB2       PRO  46  -6.059 -13.927  -1.915
  334   2HB   PRO  46          HB3       PRO  46  -6.711 -14.592  -0.397
  335   1HG   PRO  46          HG2       PRO  46  -8.285 -13.812  -2.865
  336   2HG   PRO  46          HG3       PRO  46  -8.366 -15.346  -1.939
  337   1HD   PRO  46          HD2       PRO  46 -10.149 -13.356  -1.509
  338   2HD   PRO  46          HD3       PRO  46  -9.486 -14.302  -0.142
  339    H    LYS  47           H        LYS  47  -8.461 -10.779  -2.038
  340    HA   LYS  47           HA       LYS  47  -6.164  -9.093  -2.780
  341   1HB   LYS  47          HB2       LYS  47  -6.852  -8.835  -5.050
  342   2HB   LYS  47          HB3       LYS  47  -6.626 -10.544  -4.718
  343   1HG   LYS  47          HG2       LYS  47  -8.576 -10.654  -5.928
  344   2HG   LYS  47          HG3       LYS  47  -9.245 -10.514  -4.303
  345   1HD   LYS  47          HD2       LYS  47  -9.108  -7.854  -4.947
  346   2HD   LYS  47          HD3       LYS  47  -9.145  -8.515  -6.563
  347   1HE   LYS  47          HE2       LYS  47 -11.396  -7.982  -5.876
  348   2HE   LYS  47          HE3       LYS  47 -11.250  -9.746  -5.998
  349   1HZ   LYS  47          HZ1       LYS  47 -12.182  -8.427  -3.831
  350   2HZ   LYS  47          HZ2       LYS  47 -11.702  -9.936  -3.833
  351   3HZ   LYS  47          HZ3       LYS  47 -10.630  -8.776  -3.380
  352    HT1  PRO  48           H2       PRO  48  14.800  -6.685 -12.508
  353    HT2  PRO  48           H3       PRO  48  14.041  -6.393 -13.924
  354    HA   PRO  48           HA       PRO  48  13.007  -6.278 -11.299
  355   1HB   PRO  48          HB2       PRO  48  11.644  -4.037 -12.359
  356   2HB   PRO  48          HB3       PRO  48  12.921  -4.028 -11.132
  357   1HG   PRO  48          HG2       PRO  48  13.210  -3.729 -14.138
  358   2HG   PRO  48          HG3       PRO  48  13.901  -2.688 -12.872
  359   1HD   PRO  48          HD2       PRO  48  15.470  -4.577 -13.916
  360   2HD   PRO  48          HD3       PRO  48  15.368  -4.493 -12.142
  361    H    ASN  49           H        ASN  49  12.662  -8.356 -12.331
  362    HA   ASN  49           HA       ASN  49  10.319  -8.373 -14.186
  363   1HB   ASN  49          HB2       ASN  49  12.893 -10.016 -14.394
  364   2HB   ASN  49          HB3       ASN  49  11.501 -10.109 -15.474
  365   1HD2  ASN  49          2HD2      ASN  49  11.521  -8.802 -17.294
  366   2HD2  ASN  49          1HD2      ASN  49  12.671  -7.472 -17.479
  367    H    ARG  50           H        ARG  50  11.977  -9.932 -11.555
  368    HA   ARG  50           HA       ARG  50   9.552 -11.550 -10.954
  369   1HB   ARG  50          HB2       ARG  50  11.417 -13.046 -11.429
  370   2HB   ARG  50          HB3       ARG  50  12.499 -12.084 -10.435
  371   1HG   ARG  50          HG2       ARG  50  11.962 -14.137  -9.327
  372   2HG   ARG  50          HG3       ARG  50  11.367 -12.743  -8.396
  373   1HD   ARG  50          HD2       ARG  50   9.513 -14.232 -10.244
  374   2HD   ARG  50          HD3       ARG  50   9.973 -14.976  -8.732
  375    HE   ARG  50           HE       ARG  50   8.118 -12.782  -9.033
  376   1HH1  ARG  50          2HH2      ARG  50  10.496 -13.892  -6.509
  377   2HH1  ARG  50          1HH2      ARG  50   9.374 -13.235  -5.341
  378   1HH2  ARG  50          1HH1      ARG  50   6.951 -12.043  -7.180
  379   2HH2  ARG  50          2HH1      ARG  50   7.662 -12.544  -5.669
  380    H    SER  51           H        SER  51  12.375  -9.777  -9.608
  381    HA   SER  51           HA       SER  51  10.675  -8.817  -7.360
  382   1HB   SER  51          HB2       SER  51  13.664  -8.299  -7.825
  383   2HB   SER  51          HB3       SER  51  12.745  -7.914  -6.386
  384    HG   SER  51           HG       SER  51  13.902  -9.848  -6.050
  385    H    ILE  52           H        ILE  52   9.383  -7.367  -8.300
  386    HA   ILE  52           HA       ILE  52  10.311  -5.729 -10.526
  387    HB   ILE  52           HB       ILE  52   7.673  -5.093  -9.315
  388   1HG1  ILE  52          2HG1      ILE  52   6.709  -7.103 -10.716
  389   2HG1  ILE  52          3HG1      ILE  52   8.240  -7.878 -10.340
  390   1HG2  ILE  52          1HG2      ILE  52   7.037  -5.022 -11.669
  391   2HG2  ILE  52          2HG2      ILE  52   8.566  -4.152 -11.471
  392   3HG2  ILE  52          3HG2      ILE  52   8.559  -5.784 -12.157
  393   1HD1  ILE  52          1HD1      ILE  52   6.476  -8.473  -8.727
  394   2HD1  ILE  52          2HD1      ILE  52   7.714  -7.535  -7.871
  395   3HD1  ILE  52          3HD1      ILE  52   6.183  -6.773  -8.339
  396    H    SER  53           H        SER  53  10.189  -5.387  -7.127
  397    HA   SER  53           HA       SER  53  10.038  -2.482  -7.078
  398   1HB   SER  53          HB2       SER  53   9.949  -2.898  -4.600
  399   2HB   SER  53          HB3       SER  53   8.652  -3.641  -5.541
  400    HG   SER  53           HG       SER  53   9.559  -5.119  -4.049
  401    HA   PRO  54           HA       PRO  54  14.534  -2.758  -5.542
  402   1HB   PRO  54          HB2       PRO  54  16.285  -3.103  -7.626
  403   2HB   PRO  54          HB3       PRO  54  15.667  -4.459  -6.612
  404   1HG   PRO  54          HG2       PRO  54  14.560  -3.500  -9.272
  405   2HG   PRO  54          HG3       PRO  54  15.048  -5.167  -8.819
  406   1HD   PRO  54          HD2       PRO  54  12.519  -4.334  -8.705
  407   2HD   PRO  54          HD3       PRO  54  13.169  -5.394  -7.387
  408    H    SER  55           H        SER  55  12.946  -1.556  -8.430
  409    HA   SER  55           HA       SER  55  14.322   1.034  -8.490
  410   1HB   SER  55          HB2       SER  55  12.433   1.515 -10.144
  411   2HB   SER  55          HB3       SER  55  13.514   0.185 -10.592
  412    HG   SER  55           HG       SER  55  11.266  -0.357 -10.794
  413    H    ALA  56           H        ALA  56  11.020  -0.153  -7.681
  414    HA   ALA  56           HA       ALA  56  10.076   2.256  -6.541
  415   1HB   ALA  56          HB1       ALA  56   8.612   0.358  -7.174
  416   2HB   ALA  56          HB2       ALA  56   9.293  -0.627  -5.865
  417   3HB   ALA  56          HB3       ALA  56   8.339   0.815  -5.492
  418    H    LEU  57           H        LEU  57  12.070  -0.280  -5.090
  419    HA   LEU  57           HA       LEU  57  12.156   0.540  -2.415
  420   1HB   LEU  57          HB2       LEU  57  13.052  -1.566  -3.267
  421   2HB   LEU  57          HB3       LEU  57  14.048  -0.718  -4.437
  422    HG   LEU  57           HG       LEU  57  15.561   0.035  -2.553
  423   1HD1  LEU  57          1HD1      LEU  57  15.336  -1.472  -0.475
  424   2HD1  LEU  57          2HD1      LEU  57  14.253  -0.076  -0.610
  425   3HD1  LEU  57          3HD1      LEU  57  13.632  -1.691  -0.970
  426   1HD2  LEU  57          1HD2      LEU  57  16.133  -1.793  -4.013
  427   2HD2  LEU  57          2HD2      LEU  57  16.518  -2.296  -2.362
  428   3HD2  LEU  57          3HD2      LEU  57  15.062  -2.911  -3.162
  429    H    GLN  58           H        GLN  58  13.470   2.133  -5.278
  430    HA   GLN  58           HA       GLN  58  14.987   4.043  -3.589
  431   1HB   GLN  58          HB2       GLN  58  14.663   4.304  -6.590
  432   2HB   GLN  58          HB3       GLN  58  15.922   4.925  -5.528
  433   1HG   GLN  58          HG2       GLN  58  15.536   2.109  -6.581
  434   2HG   GLN  58          HG3       GLN  58  16.874   3.204  -6.879
  435   1HE2  GLN  58          2HE2      GLN  58  16.371   0.361  -5.524
  436   2HE2  GLN  58          1HE2      GLN  58  17.415   0.540  -4.091
  437    H    ASP  59           H        ASP  59  12.525   4.052  -6.186
  438    HA   ASP  59           HA       ASP  59  11.795   6.736  -5.509
  439   1HB   ASP  59          HB2       ASP  59  11.757   5.125  -7.839
  440   2HB   ASP  59          HB3       ASP  59  10.099   5.579  -7.581
  441    H    LEU  60           H        LEU  60   9.949   3.741  -4.929
  442    HA   LEU  60           HA       LEU  60   7.519   5.331  -4.414
  443   1HB   LEU  60          HB2       LEU  60   7.367   3.036  -5.422
  444   2HB   LEU  60          HB3       LEU  60   7.982   2.380  -3.909
  445    HG   LEU  60           HG       LEU  60   6.009   3.018  -2.694
  446   1HD1  LEU  60          1HD1      LEU  60   5.137   4.583  -5.147
  447   2HD1  LEU  60          2HD1      LEU  60   4.100   4.163  -3.763
  448   3HD1  LEU  60          3HD1      LEU  60   5.482   5.236  -3.521
  449   1HD2  LEU  60          1HD2      LEU  60   4.240   1.857  -4.004
  450   2HD2  LEU  60          2HD2      LEU  60   5.219   2.029  -5.474
  451   3HD2  LEU  60          3HD2      LEU  60   5.815   1.046  -4.117
  452    H    LEU  61           H        LEU  61  10.113   3.594  -2.805
  453    HA   LEU  61           HA       LEU  61   9.300   3.926  -0.118
  454   1HB   LEU  61          HB2       LEU  61  10.979   2.328  -1.082
  455   2HB   LEU  61          HB3       LEU  61  12.116   3.656  -1.212
  456    HG   LEU  61           HG       LEU  61  12.322   3.851   1.166
  457   1HD1  LEU  61          1HD1      LEU  61  10.060   1.831   1.397
  458   2HD1  LEU  61          2HD1      LEU  61  11.070   2.363   2.757
  459   3HD1  LEU  61          3HD1      LEU  61  10.038   3.534   1.928
  460   1HD2  LEU  61          1HD2      LEU  61  13.633   2.026   0.232
  461   2HD2  LEU  61          2HD2      LEU  61  13.021   1.503   1.808
  462   3HD2  LEU  61          3HD2      LEU  61  12.255   0.904   0.338
  463    H    ARG  62           H        ARG  62  11.639   6.055  -2.039
  464    HA   ARG  62           HA       ARG  62  11.685   8.069   0.018
  465   1HB   ARG  62          HB2       ARG  62  12.666   9.543  -1.468
  466   2HB   ARG  62          HB3       ARG  62  13.279   7.959  -1.916
  467   1HG   ARG  62          HG2       ARG  62  11.514   7.883  -3.726
  468   2HG   ARG  62          HG3       ARG  62  11.115   9.565  -3.359
  469   1HD   ARG  62          HD2       ARG  62  13.464  10.215  -3.929
  470   2HD   ARG  62          HD3       ARG  62  13.786   8.525  -4.363
  471    HE   ARG  62           HE       ARG  62  12.601   8.782  -6.350
  472   1HH1  ARG  62          2HH1      ARG  62  11.975  11.631  -4.460
  473   2HH1  ARG  62          1HH1      ARG  62  10.887  12.309  -5.673
  474   1HH2  ARG  62          1HH2      ARG  62  11.001   9.527  -7.680
  475   2HH2  ARG  62          2HH2      ARG  62  10.424  11.150  -7.552
  476    H    THR  63           H        THR  63   9.390   7.513  -2.608
  477    HA   THR  63           HA       THR  63   7.894   9.877  -2.434
  478    HB   THR  63           HB       THR  63   7.291   7.086  -3.425
  479    HG1  THR  63           HG1      THR  63   8.452   8.067  -4.803
  480   1HG2  THR  63          1HG2      THR  63   5.300   9.321  -3.560
  481   2HG2  THR  63          2HG2      THR  63   5.338   7.930  -4.654
  482   3HG2  THR  63          3HG2      THR  63   5.107   7.651  -2.920
  483    H    LEU  64           H        LEU  64   7.633   7.030  -0.311
  484    HA   LEU  64           HA       LEU  64   5.587   8.651   1.135
  485   1HB   LEU  64          HB2       LEU  64   5.347   6.001   0.290
  486   2HB   LEU  64          HB3       LEU  64   5.771   5.906   1.992
  487    HG   LEU  64           HG       LEU  64   3.914   7.781   2.296
  488   1HD1  LEU  64          1HD1      LEU  64   2.088   7.655   0.685
  489   2HD1  LEU  64          2HD1      LEU  64   3.570   8.163  -0.133
  490   3HD1  LEU  64          3HD1      LEU  64   2.978   6.494  -0.312
  491   1HD2  LEU  64          1HD2      LEU  64   3.153   6.000   3.406
  492   2HD2  LEU  64          2HD2      LEU  64   2.232   5.570   1.944
  493   3HD2  LEU  64          3HD2      LEU  64   3.827   4.861   2.242
  494    H    LYS  65           H        LYS  65   8.826   7.493   1.432
  495    HA   LYS  65           HA       LYS  65   9.084   7.854   4.299
  496   1HB   LYS  65          HB2       LYS  65  10.981   8.101   1.950
  497   2HB   LYS  65          HB3       LYS  65  11.493   8.704   3.521
  498   1HG   LYS  65          HG2       LYS  65  11.129   6.527   4.557
  499   2HG   LYS  65          HG3       LYS  65  10.525   5.849   3.036
  500   1HD   LYS  65          HD2       LYS  65  12.705   6.197   1.967
  501   2HD   LYS  65          HD3       LYS  65  13.318   7.011   3.429
  502   1HE   LYS  65          HE2       LYS  65  13.020   4.962   4.731
  503   2HE   LYS  65          HE3       LYS  65  12.315   4.145   3.325
  504   1HZ   LYS  65          HZ1       LYS  65  14.410   4.342   2.181
  505   2HZ   LYS  65          HZ2       LYS  65  15.091   5.148   3.458
  506   3HZ   LYS  65          HZ3       LYS  65  14.644   3.574   3.603
  507    H    SER  66           H        SER  66   8.912  10.025   1.516
  508    HA   SER  66           HA       SER  66   8.927  12.489   3.143
  509   1HB   SER  66          HB2       SER  66   8.097  13.490   0.972
  510   2HB   SER  66          HB3       SER  66   9.740  12.841   0.971
  511    HG   SER  66           HG       SER  66   8.942  11.014  -0.161
  512    HA   PRO  67           HA       PRO  67   5.048  10.681   4.350
  513   1HB   PRO  67          HB2       PRO  67   4.428  13.273   5.777
  514   2HB   PRO  67          HB3       PRO  67   4.422  11.618   6.432
  515   1HG   PRO  67          HG2       PRO  67   6.477  13.300   6.993
  516   2HG   PRO  67          HG3       PRO  67   6.814  11.587   6.587
  517   1HD   PRO  67          HD2       PRO  67   6.912  13.993   4.743
  518   2HD   PRO  67          HD3       PRO  67   8.148  12.718   5.022
  519    H    SER  68           H        SER  68   2.864  10.659   4.312
  520    HA   SER  68           HA       SER  68   1.997  11.247   1.740
  521   1HB   SER  68          HB2       SER  68  -0.017  10.222   2.259
  522   2HB   SER  68          HB3       SER  68   1.230   9.393   3.197
  523    HG   SER  68           HG       SER  68   0.178   9.970   4.960
  524    H    SER  69           H        SER  69   1.642  13.305   4.549
  525    HA   SER  69           HA       SER  69  -0.572  14.855   3.829
  526   1HB   SER  69          HB2       SER  69   0.411  15.150   5.977
  527   2HB   SER  69          HB3       SER  69   1.959  15.680   5.298
  528    HG   SER  69           HG       SER  69  -0.540  17.030   5.127
  529    HA   PRO  70           HA       PRO  70   1.610  17.685   0.732
  530   1HB   PRO  70          HB2       PRO  70   4.279  17.449   0.133
  531   2HB   PRO  70          HB3       PRO  70   3.663  18.476   1.446
  532   1HG   PRO  70          HG2       PRO  70   4.736  15.642   1.675
  533   2HG   PRO  70          HG3       PRO  70   5.188  17.070   2.648
  534   1HD   PRO  70          HD2       PRO  70   3.354  15.327   3.596
  535   2HD   PRO  70          HD3       PRO  70   3.112  17.067   3.813
  536    H    GLN  71           H        GLN  71   2.569  14.315   1.005
  537    HA   GLN  71           HA       GLN  71   2.951  13.944  -1.870
  538   1HB   GLN  71          HB2       GLN  71   3.467  12.234   0.597
  539   2HB   GLN  71          HB3       GLN  71   3.586  11.564  -1.028
  540   1HG   GLN  71          HG2       GLN  71   5.049  14.121  -0.246
  541   2HG   GLN  71          HG3       GLN  71   5.733  12.520   0.022
  542   1HE2  GLN  71          2HE2      GLN  71   6.153  11.132  -1.814
  543   2HE2  GLN  71          1HE2      GLN  71   6.558  11.932  -3.352
  544    H    GLN  72           H        GLN  72   0.170  14.334  -0.548
  545    HA   GLN  72           HA       GLN  72  -1.331  12.014  -0.854
  546   1HB   GLN  72          HB2       GLN  72  -3.209  13.303  -0.386
  547   2HB   GLN  72          HB3       GLN  72  -1.884  14.164   0.378
  548   1HG   GLN  72          HG2       GLN  72  -2.973  15.945  -0.465
  549   2HG   GLN  72          HG3       GLN  72  -1.981  15.605  -1.871
  550   1HE2  GLN  72          2HE2      GLN  72  -5.283  14.214  -0.625
  551   2HE2  GLN  72          1HE2      GLN  72  -5.985  14.561  -2.146
  552    H    GLN  73           H        GLN  73   0.232  12.725  -3.430
  553    HA   GLN  73           HA       GLN  73  -2.098  12.735  -5.289
  554   1HB   GLN  73          HB2       GLN  73   0.379  14.438  -5.146
  555   2HB   GLN  73          HB3       GLN  73  -0.104  13.966  -6.746
  556   1HG   GLN  73          HG2       GLN  73  -1.825  15.419  -4.695
  557   2HG   GLN  73          HG3       GLN  73  -1.164  16.099  -6.170
  558   1HE2  GLN  73          2HE2      GLN  73  -4.055  15.109  -4.953
  559   2HE2  GLN  73          1HE2      GLN  73  -4.783  14.493  -6.429
  560    H    GLN  74           H        GLN  74  -1.481  12.404  -7.500
  561    HA   GLN  74           HA       GLN  74  -1.237   9.719  -8.038
  562   1HB   GLN  74          HB2       GLN  74  -1.131  10.411 -10.376
  563   2HB   GLN  74          HB3       GLN  74  -2.275  11.377  -9.476
  564   1HG   GLN  74          HG2       GLN  74  -0.193  13.071  -9.204
  565   2HG   GLN  74          HG3       GLN  74   0.387  12.207 -10.630
  566   1HE2  GLN  74          2HE2      GLN  74  -2.407  14.166  -9.355
  567   2HE2  GLN  74          1HE2      GLN  74  -2.850  14.644 -11.001
  568    H    GLN  75           H        GLN  75   1.584  11.554  -7.129
  569    HA   GLN  75           HA       GLN  75   3.411  10.051  -8.811
  570   1HB   GLN  75          HB2       GLN  75   5.121  11.166  -7.834
  571   2HB   GLN  75          HB3       GLN  75   3.840  12.363  -7.701
  572   1HG   GLN  75          HG2       GLN  75   5.004  10.611  -5.520
  573   2HG   GLN  75          HG3       GLN  75   5.163  12.359  -5.679
  574   1HE2  GLN  75          2HE2      GLN  75   4.114  10.726  -3.430
  575   2HE2  GLN  75          1HE2      GLN  75   2.443  11.187  -3.182
  576    H    VAL  76           H        VAL  76   1.790   9.308  -5.791
  577    HA   VAL  76           HA       VAL  76   3.529   6.978  -5.270
  578    HB   VAL  76           HB       VAL  76   0.609   7.033  -4.471
  579   1HG1  VAL  76          1HG1      VAL  76   2.094   5.059  -4.036
  580   2HG1  VAL  76          2HG1      VAL  76   3.089   6.105  -2.996
  581   3HG1  VAL  76          3HG1      VAL  76   1.408   5.762  -2.561
  582   1HG2  VAL  76          1HG2      VAL  76   1.133   8.071  -2.331
  583   2HG2  VAL  76          2HG2      VAL  76   2.739   8.533  -2.933
  584   3HG2  VAL  76          3HG2      VAL  76   1.244   9.207  -3.683
  585    H    LEU  77           H        LEU  77   0.374   7.535  -6.769
  586    HA   LEU  77           HA       LEU  77  -0.140   4.903  -7.435
  587   1HB   LEU  77          HB2       LEU  77  -1.509   7.273  -7.493
  588   2HB   LEU  77          HB3       LEU  77  -1.402   6.954  -9.215
  589    HG   LEU  77           HG       LEU  77  -2.359   4.912  -7.146
  590   1HD1  LEU  77          1HD1      LEU  77  -4.629   5.498  -7.772
  591   2HD1  LEU  77          2HD1      LEU  77  -3.806   6.902  -7.087
  592   3HD1  LEU  77          3HD1      LEU  77  -4.036   6.781  -8.850
  593   1HD2  LEU  77          1HD2      LEU  77  -1.700   3.869  -9.264
  594   2HD2  LEU  77          2HD2      LEU  77  -3.460   3.859  -9.091
  595   3HD2  LEU  77          3HD2      LEU  77  -2.693   5.042 -10.177
  596    H    ASN  78           H        ASN  78   1.463   7.423  -9.302
  597    HA   ASN  78           HA       ASN  78   1.842   6.078 -11.724
  598   1HB   ASN  78          HB2       ASN  78   2.101   8.543 -11.359
  599   2HB   ASN  78          HB3       ASN  78   3.565   8.252 -10.415
  600   1HD2  ASN  78          2HD2      ASN  78   5.441   8.591 -11.631
  601   2HD2  ASN  78          1HD2      ASN  78   5.484   8.330 -13.382
  602    H    ILE  79           H        ILE  79   3.730   5.783  -8.693
  603    HA   ILE  79           HA       ILE  79   5.743   4.107 -10.107
  604    HB   ILE  79           HB       ILE  79   5.625   4.878  -7.215
  605   1HG1  ILE  79          2HG1      ILE  79   7.617   5.958  -9.245
  606   2HG1  ILE  79          3HG1      ILE  79   6.069   6.769  -9.058
  607   1HG2  ILE  79          1HG2      ILE  79   6.905   2.779  -7.642
  608   2HG2  ILE  79          2HG2      ILE  79   7.768   3.543  -8.977
  609   3HG2  ILE  79          3HG2      ILE  79   8.041   4.083  -7.312
  610   1HD1  ILE  79          1HD1      ILE  79   8.039   6.291  -6.795
  611   2HD1  ILE  79          2HD1      ILE  79   7.761   7.833  -7.653
  612   3HD1  ILE  79          3HD1      ILE  79   6.479   7.110  -6.656
  613    H    LEU  80           H        LEU  80   3.188   3.825  -7.630
  614    HA   LEU  80           HA       LEU  80   3.077   1.169  -6.927
  615   1HB   LEU  80          HB2       LEU  80   1.056   3.306  -7.568
  616   2HB   LEU  80          HB3       LEU  80   0.433   1.700  -7.323
  617    HG   LEU  80           HG       LEU  80   2.159   3.020  -5.194
  618   1HD1  LEU  80          1HD1      LEU  80   0.219   4.521  -5.410
  619   2HD1  LEU  80          2HD1      LEU  80  -0.883   3.130  -5.528
  620   3HD1  LEU  80          3HD1      LEU  80  -0.037   3.478  -4.009
  621   1HD2  LEU  80          1HD2      LEU  80  -0.053   0.931  -5.105
  622   2HD2  LEU  80          2HD2      LEU  80   1.679   0.510  -5.205
  623   3HD2  LEU  80          3HD2      LEU  80   1.060   1.390  -3.785
  624    H    LYS  81           H        LYS  81   1.514   2.499  -9.892
  625    HA   LYS  81           HA       LYS  81   0.541   0.063 -10.882
  626   1HB   LYS  81          HB2       LYS  81   0.101   1.203 -12.895
  627   2HB   LYS  81          HB3       LYS  81  -0.077   2.403 -11.608
  628   1HG   LYS  81          HG2       LYS  81   2.283   3.175 -12.145
  629   2HG   LYS  81          HG3       LYS  81   2.286   2.042 -13.504
  630   1HD   LYS  81          HD2       LYS  81   0.130   3.252 -14.269
  631   2HD   LYS  81          HD3       LYS  81   0.614   4.558 -13.177
  632   1HE   LYS  81          HE2       LYS  81   2.271   3.322 -15.412
  633   2HE   LYS  81          HE3       LYS  81   1.425   4.862 -15.562
  634   1HZ   LYS  81          HZ1       LYS  81   3.898   4.896 -14.989
  635   2HZ   LYS  81          HZ2       LYS  81   2.939   5.877 -14.120
  636   3HZ   LYS  81          HZ3       LYS  81   3.469   4.515 -13.457
  637    H    SER  82           H        SER  82   3.849   1.073 -10.946
  638    HA   SER  82           HA       SER  82   4.591  -0.612 -13.245
  639   1HB   SER  82          HB2       SER  82   6.824   0.153 -12.869
  640   2HB   SER  82          HB3       SER  82   5.760   1.564 -12.652
  641    HG   SER  82           HG       SER  82   5.950   1.206 -10.379
  642    H    ASN  83           H        ASN  83   3.888  -1.334 -10.023
  643    HA   ASN  83           HA       ASN  83   5.563  -3.839 -10.069
  644   1HB   ASN  83          HB2       ASN  83   5.102  -1.771  -7.888
  645   2HB   ASN  83          HB3       ASN  83   5.576  -3.436  -7.561
  646   1HD2  ASN  83          2HD2      ASN  83   7.135  -2.306 -10.484
  647   2HD2  ASN  83          1HD2      ASN  83   8.679  -2.203  -9.620
  648    HA   PRO  84           HA       PRO  84   1.083  -4.668 -10.172
  649   1HB   PRO  84          HB2       PRO  84   2.133  -7.448 -10.741
  650   2HB   PRO  84          HB3       PRO  84   0.791  -6.542 -11.507
  651   1HG   PRO  84          HG2       PRO  84   3.202  -6.726 -12.742
  652   2HG   PRO  84          HG3       PRO  84   2.275  -5.190 -12.767
  653   1HD   PRO  84          HD2       PRO  84   4.607  -5.947 -11.042
  654   2HD   PRO  84          HD3       PRO  84   4.236  -4.390 -11.844
  655    H    GLN  85           H        GLN  85   3.314  -6.971  -8.553
  656    HA   GLN  85           HA       GLN  85   1.480  -7.953  -6.610
  657   1HB   GLN  85          HB2       GLN  85   4.504  -7.594  -6.475
  658   2HB   GLN  85          HB3       GLN  85   3.517  -8.390  -5.252
  659   1HG   GLN  85          HG2       GLN  85   2.776 -10.086  -6.883
  660   2HG   GLN  85          HG3       GLN  85   3.833  -9.367  -8.115
  661   1HE2  GLN  85          1HE2      GLN  85   4.099 -10.315  -4.629
  662   2HE2  GLN  85          2HE2      GLN  85   5.726 -10.891  -4.749
  663    H    LEU  86           H        LEU  86   3.638  -5.141  -6.510
  664    HA   LEU  86           HA       LEU  86   3.131  -4.365  -3.745
  665   1HB   LEU  86          HB2       LEU  86   5.076  -3.786  -5.449
  666   2HB   LEU  86          HB3       LEU  86   4.012  -2.450  -5.898
  667    HG   LEU  86           HG       LEU  86   5.128  -3.051  -3.115
  668   1HD1  LEU  86          1HD1      LEU  86   6.856  -2.345  -4.676
  669   2HD1  LEU  86          2HD1      LEU  86   5.853  -0.962  -5.198
  670   3HD1  LEU  86          3HD1      LEU  86   6.507  -1.022  -3.550
  671   1HD2  LEU  86          1HD2      LEU  86   3.441  -0.715  -4.093
  672   2HD2  LEU  86          2HD2      LEU  86   3.093  -1.832  -2.744
  673   3HD2  LEU  86          3HD2      LEU  86   4.415  -0.675  -2.606
  674    H    MET  87           H        MET  87   1.729  -3.421  -6.886
  675    HA   MET  87           HA       MET  87  -0.213  -1.631  -5.854
  676   1HB   MET  87          HB2       MET  87   0.453  -2.758  -8.406
  677   2HB   MET  87          HB3       MET  87  -1.266  -3.072  -8.142
  678   1HG   MET  87          HG2       MET  87   0.021  -0.380  -7.667
  679   2HG   MET  87          HG3       MET  87  -0.659  -0.838  -9.225
  680   1HE   MET  87          HE1       MET  87  -1.653   1.388  -8.907
  681   2HE   MET  87          HE2       MET  87  -3.260   1.618  -8.220
  682   3HE   MET  87          HE3       MET  87  -1.828   1.781  -7.169
  683    H    ALA  88           H        ALA  88  -0.664  -5.164  -6.524
  684    HA   ALA  88           HA       ALA  88  -3.267  -5.243  -5.369
  685   1HB   ALA  88          HB1       ALA  88  -2.914  -7.679  -5.316
  686   2HB   ALA  88          HB2       ALA  88  -2.313  -7.001  -6.846
  687   3HB   ALA  88          HB3       ALA  88  -1.169  -7.458  -5.569
  688    H    ALA  89           H        ALA  89  -0.052  -5.846  -3.831
  689    HA   ALA  89           HA       ALA  89  -1.042  -6.392  -1.218
  690   1HB   ALA  89          HB1       ALA  89   1.606  -5.156  -2.071
  691   2HB   ALA  89          HB2       ALA  89   1.235  -5.928  -0.499
  692   3HB   ALA  89          HB3       ALA  89   1.251  -6.908  -1.970
  693    H    PHE  90           H        PHE  90  -0.178  -3.248  -2.742
  694    HA   PHE  90           HA       PHE  90  -0.734  -1.571  -0.545
  695   1HB   PHE  90          HB2       PHE  90   0.305  -0.689  -2.551
  696   2HB   PHE  90          HB3       PHE  90  -1.079  -1.101  -3.539
  697    HD1  PHE  90           HD1      PHE  90   0.006   1.038  -0.725
  698    HD2  PHE  90           HD2      PHE  90  -2.937   0.464  -3.784
  699    HE1  PHE  90           HE1      PHE  90  -0.721   3.421  -0.465
  700    HE2  PHE  90           HE2      PHE  90  -3.802   2.769  -3.365
  701    HZ   PHE  90           HZ       PHE  90  -2.593   4.281  -1.797
  702    H    ILE  91           H        ILE  91  -2.962  -2.483  -3.275
  703    HA   ILE  91           HA       ILE  91  -5.265  -1.408  -2.173
  704    HB   ILE  91           HB       ILE  91  -4.925  -3.795  -4.011
  705   1HG1  ILE  91          2HG1      ILE  91  -5.743  -0.871  -4.431
  706   2HG1  ILE  91          3HG1      ILE  91  -4.190  -1.570  -4.840
  707   1HG2  ILE  91          1HG2      ILE  91  -7.525  -2.380  -3.247
  708   2HG2  ILE  91          2HG2      ILE  91  -7.352  -3.609  -4.526
  709   3HG2  ILE  91          3HG2      ILE  91  -7.101  -4.070  -2.860
  710   1HD1  ILE  91          1HD1      ILE  91  -5.360  -3.075  -6.496
  711   2HD1  ILE  91          2HD1      ILE  91  -6.841  -2.091  -6.196
  712   3HD1  ILE  91          3HD1      ILE  91  -5.398  -1.347  -6.862
  713    H    LYS  92           H        LYS  92  -4.143  -4.801  -1.730
  714    HA   LYS  92           HA       LYS  92  -6.189  -5.586  -0.013
  715   1HB   LYS  92          HB2       LYS  92  -4.648  -7.155  -1.103
  716   2HB   LYS  92          HB3       LYS  92  -3.299  -6.542  -0.172
  717   1HG   LYS  92          HG2       LYS  92  -3.874  -8.595   0.782
  718   2HG   LYS  92          HG3       LYS  92  -4.441  -7.406   1.946
  719   1HD   LYS  92          HD2       LYS  92  -6.165  -8.759  -0.154
  720   2HD   LYS  92          HD3       LYS  92  -5.965  -9.399   1.467
  721   1HE   LYS  92          HE2       LYS  92  -7.420  -7.976   2.422
  722   2HE   LYS  92          HE3       LYS  92  -6.892  -6.582   1.468
  723   1HZ   LYS  92          HZ1       LYS  92  -8.115  -7.491  -0.420
  724   2HZ   LYS  92          HZ2       LYS  92  -8.506  -8.801   0.453
  725   3HZ   LYS  92          HZ3       LYS  92  -9.186  -7.401   0.831
  726    H    GLN  93           H        GLN  93  -2.859  -4.511   1.010
  727    HA   GLN  93           HA       GLN  93  -3.633  -4.672   3.766
  728   1HB   GLN  93          HB2       GLN  93  -1.187  -4.670   2.545
  729   2HB   GLN  93          HB3       GLN  93  -1.242  -3.027   3.154
  730   1HG   GLN  93          HG2       GLN  93  -1.349  -5.671   4.651
  731   2HG   GLN  93          HG3       GLN  93  -0.173  -4.390   4.813
  732   1HE2  GLN  93          2HE2      GLN  93  -0.954  -2.338   6.019
  733   2HE2  GLN  93          1HE2      GLN  93  -2.280  -2.525   7.167
  734    H    ARG  94           H        ARG  94  -3.621  -1.909   1.452
  735    HA   ARG  94           HA       ARG  94  -4.166   0.149   3.356
  736   1HB   ARG  94          HB2       ARG  94  -5.053  -0.166   0.498
  737   2HB   ARG  94          HB3       ARG  94  -5.452   1.230   1.487
  738   1HG   ARG  94          HG2       ARG  94  -2.657   0.372   0.646
  739   2HG   ARG  94          HG3       ARG  94  -3.610   1.710   0.011
  740   1HD   ARG  94          HD2       ARG  94  -2.426   1.443   2.786
  741   2HD   ARG  94          HD3       ARG  94  -1.856   2.486   1.469
  742    HE   ARG  94           HE       ARG  94  -4.439   3.335   1.838
  743   1HH1  ARG  94          2HH1      ARG  94  -1.527   3.308   3.777
  744   2HH1  ARG  94          1HH1      ARG  94  -2.237   4.325   5.028
  745   1HH2  ARG  94          1HH2      ARG  94  -5.051   4.953   3.284
  746   2HH2  ARG  94          2HH2      ARG  94  -4.088   5.280   4.734
  747    H    THR  95           H        THR  95  -6.379  -2.030   1.553
  748    HA   THR  95           HA       THR  95  -8.792  -1.118   2.748
  749    HB   THR  95           HB       THR  95  -8.561  -4.031   1.943
  750    HG1  THR  95           HG1      THR  95  -7.601  -2.835   0.171
  751   1HG2  THR  95          1HG2      THR  95 -10.623  -1.885   1.315
  752   2HG2  THR  95          2HG2      THR  95 -10.820  -3.642   1.177
  753   3HG2  THR  95          3HG2      THR  95 -10.721  -2.868   2.782
  754    H    ALA  96           H        ALA  96  -6.617  -3.802   3.751
  755    HA   ALA  96           HA       ALA  96  -8.028  -4.542   6.113
  756   1HB   ALA  96          HB1       ALA  96  -5.111  -4.734   5.380
  757   2HB   ALA  96          HB2       ALA  96  -5.845  -5.533   6.782
  758   3HB   ALA  96          HB3       ALA  96  -6.365  -5.972   5.142
  759    H    LYS  97           H        LYS  97  -5.375  -2.154   5.681
  760    HA   LYS  97           HA       LYS  97  -5.084  -1.168   8.263
  761   1HB   LYS  97          HB2       LYS  97  -3.539  -0.022   7.113
  762   2HB   LYS  97          HB3       LYS  97  -4.319  -0.337   5.604
  763   1HG   LYS  97          HG2       LYS  97  -4.099   1.936   5.630
  764   2HG   LYS  97          HG3       LYS  97  -5.799   1.675   5.923
  765   1HD   LYS  97          HD2       LYS  97  -5.097   1.887   8.477
  766   2HD   LYS  97          HD3       LYS  97  -3.622   2.605   7.821
  767   1HE   LYS  97          HE2       LYS  97  -5.020   4.253   6.559
  768   2HE   LYS  97          HE3       LYS  97  -6.483   3.515   7.260
  769   1HZ   LYS  97          HZ1       LYS  97  -5.577   4.187   9.472
  770   2HZ   LYS  97          HZ2       LYS  97  -4.333   4.887   8.773
  771   3HZ   LYS  97          HZ3       LYS  97  -5.839   5.479   8.531
  772    H    TYR  98           H        TYR  98  -7.524  -0.076   5.854
  773    HA   TYR  98           HA       TYR  98  -8.804   1.722   7.651
  774   1HB   TYR  98          HB2       TYR  98  -9.808   0.191   5.245
  775   2HB   TYR  98          HB3       TYR  98 -10.886   1.192   6.211
  776    HD1  TYR  98           HD1      TYR  98  -9.844   3.613   6.771
  777    HD2  TYR  98           HD2      TYR  98  -8.857   1.154   3.386
  778    HE1  TYR  98           HE1      TYR  98  -8.963   5.610   5.576
  779    HE2  TYR  98           HE2      TYR  98  -8.308   3.142   2.066
  780    HH   TYR  98           HH       TYR  98  -7.375   5.523   2.636
  781    H    VAL  99           H        VAL  99  -9.897  -1.691   6.972
  782    HA   VAL  99           HA       VAL  99 -11.909  -1.472   8.987
  783    HB   VAL  99           HB       VAL  99 -12.104  -3.909   8.936
  784   1HG1  VAL  99          1HG1      VAL  99 -12.856  -4.021   6.591
  785   2HG1  VAL  99          2HG1      VAL  99 -13.286  -2.472   7.317
  786   3HG1  VAL  99          3HG1      VAL  99 -11.912  -2.561   6.202
  787   1HG2  VAL  99          1HG2      VAL  99 -10.832  -5.285   7.414
  788   2HG2  VAL  99          2HG2      VAL  99  -9.912  -3.869   6.859
  789   3HG2  VAL  99          3HG2      VAL  99  -9.699  -4.476   8.526
  790    H    ALA 100           H        ALA 100  -8.494  -2.271   9.422
  791    HA   ALA 100           HA       ALA 100  -8.936  -3.012  12.193
  792   1HB   ALA 100          HB1       ALA 100  -6.489  -3.345  12.180
  793   2HB   ALA 100          HB2       ALA 100  -7.229  -4.125  10.774
  794   3HB   ALA 100          HB3       ALA 100  -6.369  -2.575  10.587
  795    H    ASN 101           H        ASN 101  -8.154   0.051  10.648
  796    HA   ASN 101           HA       ASN 101  -7.643   1.267  13.346
  797   1HB   ASN 101          HB2       ASN 101  -5.502   0.801  12.566
  798   2HB   ASN 101          HB3       ASN 101  -5.891   1.175  10.888
  799   1HD2  ASN 101          2HD2      ASN 101  -4.990   2.640  14.010
  800   2HD2  ASN 101          1HD2      ASN 101  -4.710   4.211  13.239
  801    H    GLN 102           H        GLN 102  -9.168   1.688  10.266
  802    HA   GLN 102           HA       GLN 102 -10.517   4.098  11.233
  803   1HB   GLN 102          HB2       GLN 102  -8.887   4.086   8.700
  804   2HB   GLN 102          HB3       GLN 102 -10.348   5.082   8.849
  805   1HG   GLN 102          HG2       GLN 102  -9.397   6.309  10.707
  806   2HG   GLN 102          HG3       GLN 102  -7.935   5.293  10.668
  807   1HE2  GLN 102          2HE2      GLN 102  -9.874   7.145   8.066
  808   2HE2  GLN 102          1HE2      GLN 102  -8.464   7.799   7.399
  809    HA   PRO 103           HA       PRO 103 -12.818   0.699   9.091
  810   1HB   PRO 103          HB2       PRO 103 -14.658  -0.008  10.951
  811   2HB   PRO 103          HB3       PRO 103 -12.965  -0.562  11.034
  812   1HG   PRO 103          HG2       PRO 103 -14.188   1.806  12.483
  813   2HG   PRO 103          HG3       PRO 103 -13.173   0.497  13.178
  814   1HD   PRO 103          HD2       PRO 103 -12.078   2.885  12.448
  815   2HD   PRO 103          HD3       PRO 103 -11.201   1.357  12.155
  816    H    GLY 104           H        GLY 104 -13.759   3.772  10.266
  817   1HA   GLY 104          HA2       GLY 104 -16.409   3.956   9.071
  818   2HA   GLY 104          HA3       GLY 104 -15.384   5.297   9.610
  819    H    MET 105           H        MET 105 -14.848   2.760   7.310
  820    HA   MET 105           HA       MET 105 -13.546   2.552   5.592
  821   1HB   MET 105          HB2       MET 105 -14.819   2.992   3.506
  822   2HB   MET 105          HB3       MET 105 -15.725   2.212   4.788
  823   1HG   MET 105          HG2       MET 105 -17.200   3.760   3.843
  824   2HG   MET 105          HG3       MET 105 -16.730   4.448   5.391
  825   1HE   MET 105          HE1       MET 105 -18.224   6.418   3.811
  826   2HE   MET 105          HE2       MET 105 -17.235   6.858   5.224
  827   3HE   MET 105          HE3       MET 105 -17.125   7.822   3.720
  828    H    GLN 106           H        GLN 106 -13.620   5.980   6.160
  829    HA   GLN 106           HA       GLN 106 -11.429   6.309   4.145
  830   1HB   GLN 106          HB2       GLN 106 -13.433   7.427   3.363
  831   2HB   GLN 106          HB3       GLN 106 -13.651   8.222   4.908
  832   1HG   GLN 106          HG2       GLN 106 -12.888   9.811   3.274
  833   2HG   GLN 106          HG3       GLN 106 -11.655   9.634   4.506
  834   1HE2  GLN 106          2HE2      GLN 106  -9.918   7.948   3.889
  835   2HE2  GLN 106          1HE2      GLN 106  -9.382   7.885   2.200
  Start of MODEL   11
    1   1H    GLU   1          H1        GLU   1  15.470  -9.377  -7.869
    2   2H    GLU   1          H2        GLU   1  14.923 -10.532  -6.846
    3   3H    GLU   1          H3        GLU   1  16.493 -10.469  -7.134
    4    HA   GLU   1           HA       GLU   1  14.431 -11.000  -9.170
    5   1HB   GLU   1          HB2       GLU   1  17.449 -11.261  -9.385
    6   2HB   GLU   1          HB3       GLU   1  16.282 -11.767 -10.606
    7   1HG   GLU   1          HG2       GLU   1  16.837  -8.925  -9.655
    8   2HG   GLU   1          HG3       GLU   1  17.233  -9.622 -11.211
    9    H    GLY   2           H        GLY   2  16.142 -12.521  -6.452
   10   1HA   GLY   2          HA2       GLY   2  15.621 -15.208  -7.479
   11   2HA   GLY   2          HA3       GLY   2  16.251 -14.767  -5.888
   12    H    GLN   3           H        GLN   3  13.570 -12.902  -6.487
   13    HA   GLN   3           HA       GLN   3  11.615 -12.594  -5.663
   14   1HB   GLN   3          HB2       GLN   3  10.844 -14.375  -7.083
   15   2HB   GLN   3          HB3       GLN   3  11.100 -15.564  -5.797
   16   1HG   GLN   3          HG2       GLN   3   9.346 -14.658  -4.453
   17   2HG   GLN   3          HG3       GLN   3   9.363 -13.115  -5.288
   18   1HE2  GLN   3          2HE2      GLN   3   7.584 -12.807  -6.623
   19   2HE2  GLN   3          1HE2      GLN   3   6.732 -14.180  -7.369
   20    H    SER   4           H        SER   4  13.509 -14.925  -3.883
   21    HA   SER   4           HA       SER   4  12.362 -14.473  -1.286
   22   1HB   SER   4          HB2       SER   4  13.933 -16.366  -1.858
   23   2HB   SER   4          HB3       SER   4  15.247 -15.168  -2.003
   24    HG   SER   4           HG       SER   4  14.497 -14.521   0.195
   25    H    ASP   5           H        ASP   5  13.928 -12.331  -3.326
   26    HA   ASP   5           HA       ASP   5  14.828 -10.478  -1.195
   27   1HB   ASP   5          HB2       ASP   5  15.620  -9.188  -3.264
   28   2HB   ASP   5          HB3       ASP   5  16.495 -10.619  -2.754
   29    H    GLU   6           H        GLU   6  12.963 -10.448  -4.203
   30    HA   GLU   6           HA       GLU   6  11.401  -8.201  -4.127
   31   1HB   GLU   6          HB2       GLU   6  11.498  -9.995  -5.888
   32   2HB   GLU   6          HB3       GLU   6  10.622 -11.055  -4.789
   33   1HG   GLU   6          HG2       GLU   6   8.643  -9.475  -4.920
   34   2HG   GLU   6          HG3       GLU   6   9.479  -8.694  -6.268
   35    H    ARG   7           H        ARG   7  10.543 -11.288  -2.433
   36    HA   ARG   7           HA       ARG   7   8.021 -10.232  -1.621
   37   1HB   ARG   7          HB2       ARG   7   9.296 -12.740  -1.360
   38   2HB   ARG   7          HB3       ARG   7   9.001 -12.245   0.300
   39   1HG   ARG   7          HG2       ARG   7   6.958 -12.505  -1.938
   40   2HG   ARG   7          HG3       ARG   7   7.140 -13.578  -0.568
   41   1HD   ARG   7          HD2       ARG   7   6.263 -10.648  -0.397
   42   2HD   ARG   7          HD3       ARG   7   5.180 -12.023  -0.370
   43    HE   ARG   7           HE       ARG   7   6.632 -10.919   1.830
   44   1HH1  ARG   7          2HH2      ARG   7   5.386 -14.022   0.795
   45   2HH1  ARG   7          1HH2      ARG   7   5.086 -14.522   2.464
   46   1HH2  ARG   7          1HH1      ARG   7   6.250 -11.494   3.668
   47   2HH2  ARG   7          2HH1      ARG   7   5.606 -13.050   4.192
   48    H    ALA   8           H        ALA   8  11.129 -10.119   0.019
   49    HA   ALA   8           HA       ALA   8  10.108  -8.882   2.449
   50   1HB   ALA   8          HB1       ALA   8  12.504  -8.484   2.925
   51   2HB   ALA   8          HB2       ALA   8  12.251 -10.163   2.419
   52   3HB   ALA   8          HB3       ALA   8  12.937  -8.981   1.289
   53    H    LEU   9           H        LEU   9  11.614  -7.666  -0.590
   54    HA   LEU   9           HA       LEU   9  11.598  -4.890   0.083
   55   1HB   LEU   9          HB2       LEU   9  11.316  -6.221  -2.643
   56   2HB   LEU   9          HB3       LEU   9  11.740  -4.541  -2.365
   57    HG   LEU   9           HG       LEU   9  13.469  -6.880  -1.421
   58   1HD1  LEU   9          1HD1      LEU   9  13.318  -6.916  -3.841
   59   2HD1  LEU   9          2HD1      LEU   9  13.644  -5.170  -3.920
   60   3HD1  LEU   9          3HD1      LEU   9  14.903  -6.292  -3.336
   61   1HD2  LEU   9          1HD2      LEU   9  13.953  -3.912  -1.669
   62   2HD2  LEU   9          2HD2      LEU   9  13.854  -4.836  -0.142
   63   3HD2  LEU   9          3HD2      LEU   9  15.201  -5.117  -1.248
   64    H    LEU  10           H        LEU  10   9.170  -6.911  -1.516
   65    HA   LEU  10           HA       LEU  10   7.102  -5.034  -1.999
   66   1HB   LEU  10          HB2       LEU  10   7.254  -7.240  -3.063
   67   2HB   LEU  10          HB3       LEU  10   7.199  -8.039  -1.498
   68    HG   LEU  10           HG       LEU  10   4.865  -7.384  -1.179
   69   1HD1  LEU  10          1HD1      LEU  10   4.753  -5.303  -2.492
   70   2HD1  LEU  10          2HD1      LEU  10   5.154  -6.194  -3.977
   71   3HD1  LEU  10          3HD1      LEU  10   3.609  -6.501  -3.143
   72   1HD2  LEU  10          1HD2      LEU  10   5.459  -9.517  -2.281
   73   2HD2  LEU  10          2HD2      LEU  10   3.927  -8.866  -2.877
   74   3HD2  LEU  10          3HD2      LEU  10   5.410  -8.719  -3.864
   75    H    ASP  11           H        ASP  11   7.639  -7.299   0.765
   76    HA   ASP  11           HA       ASP  11   5.458  -6.382   2.303
   77   1HB   ASP  11          HB2       ASP  11   8.039  -7.769   3.052
   78   2HB   ASP  11          HB3       ASP  11   6.894  -7.260   4.280
   79    H    GLN  12           H        GLN  12   8.884  -5.229   2.545
   80    HA   GLN  12           HA       GLN  12   8.060  -3.228   4.438
   81   1HB   GLN  12          HB2       GLN  12  10.258  -2.265   4.246
   82   2HB   GLN  12          HB3       GLN  12  10.324  -4.013   4.405
   83   1HG   GLN  12          HG2       GLN  12  11.961  -3.700   2.886
   84   2HG   GLN  12          HG3       GLN  12  10.599  -4.042   1.818
   85   1HE2  GLN  12          2HE2      GLN  12  10.339  -2.607   0.101
   86   2HE2  GLN  12          1HE2      GLN  12  11.203  -1.054   0.096
   87    H    LEU  13           H        LEU  13   7.903  -3.196   0.906
   88    HA   LEU  13           HA       LEU  13   7.325  -0.346   0.902
   89   1HB   LEU  13          HB2       LEU  13   7.439  -2.511  -1.163
   90   2HB   LEU  13          HB3       LEU  13   6.340  -1.177  -1.487
   91    HG   LEU  13           HG       LEU  13   9.134  -0.551  -0.494
   92   1HD1  LEU  13          1HD1      LEU  13   8.494  -0.969  -3.445
   93   2HD1  LEU  13          2HD1      LEU  13  10.001  -0.340  -2.727
   94   3HD1  LEU  13          3HD1      LEU  13   9.532  -2.020  -2.456
   95   1HD2  LEU  13          1HD2      LEU  13   8.826   1.495  -1.688
   96   2HD2  LEU  13          2HD2      LEU  13   7.273   0.896  -2.373
   97   3HD2  LEU  13          3HD2      LEU  13   7.415   1.216  -0.631
   98    H    HIS  14           H        HIS  14   5.192  -3.257   0.805
   99    HA   HIS  14           HA       HIS  14   2.865  -1.475   0.656
  100   1HB   HIS  14          HB2       HIS  14   1.417  -3.282   0.874
  101   2HB   HIS  14          HB3       HIS  14   2.726  -3.816  -0.160
  102    HD2  HIS  14           HD2      HIS  14   3.497  -6.218   0.350
  103    HE1  HIS  14           HE1      HIS  14   2.491  -6.465   4.475
  104    HE2  HIS  14           HE2      HIS  14   3.546  -7.698   2.514
  105    H    THR  15           H        THR  15   4.763  -2.763   3.290
  106    HA   THR  15           HA       THR  15   3.076  -1.610   5.352
  107    HB   THR  15           HB       THR  15   6.056  -1.974   5.713
  108    HG1  THR  15           HG1      THR  15   5.295  -3.957   4.856
  109   1HG2  THR  15          1HG2      THR  15   5.306  -2.610   8.002
  110   2HG2  THR  15          2HG2      THR  15   4.724  -0.989   7.579
  111   3HG2  THR  15          3HG2      THR  15   3.615  -2.385   7.517
  112    H    LEU  16           H        LEU  16   6.003  -0.225   3.623
  113    HA   LEU  16           HA       LEU  16   5.941   2.306   4.862
  114   1HB   LEU  16          HB2       LEU  16   7.662   1.642   3.183
  115   2HB   LEU  16          HB3       LEU  16   6.419   1.534   1.969
  116    HG   LEU  16           HG       LEU  16   5.979   4.104   2.517
  117   1HD1  LEU  16          1HD1      LEU  16   8.895   3.786   3.345
  118   2HD1  LEU  16          2HD1      LEU  16   8.132   5.313   2.903
  119   3HD1  LEU  16          3HD1      LEU  16   7.569   4.431   4.332
  120   1HD2  LEU  16          1HD2      LEU  16   6.475   3.404   0.351
  121   2HD2  LEU  16          2HD2      LEU  16   7.736   4.577   0.720
  122   3HD2  LEU  16          3HD2      LEU  16   8.097   2.835   0.809
  123    H    LEU  17           H        LEU  17   3.993   1.270   1.965
  124    HA   LEU  17           HA       LEU  17   2.511   3.749   1.959
  125   1HB   LEU  17          HB2       LEU  17   1.804   1.049   0.791
  126   2HB   LEU  17          HB3       LEU  17   0.875   2.548   0.666
  127    HG   LEU  17           HG       LEU  17   1.817   2.351  -1.397
  128   1HD1  LEU  17          1HD1      LEU  17   3.145   4.143  -1.853
  129   2HD1  LEU  17          2HD1      LEU  17   2.198   4.618  -0.410
  130   3HD1  LEU  17          3HD1      LEU  17   3.938   4.123  -0.307
  131   1HD2  LEU  17          1HD2      LEU  17   4.592   1.887  -0.288
  132   2HD2  LEU  17          2HD2      LEU  17   3.511   0.624  -0.982
  133   3HD2  LEU  17          3HD2      LEU  17   4.125   1.967  -1.976
  134    H    SER  18           H        SER  18   2.191   1.094   4.136
  135    HA   SER  18           HA       SER  18  -0.533   2.050   4.976
  136   1HB   SER  18          HB2       SER  18  -0.530  -0.129   3.892
  137   2HB   SER  18          HB3       SER  18   0.628  -0.737   5.106
  138    HG   SER  18           HG       SER  18  -0.948   0.149   6.641
  139    H    ASN  19           H        ASN  19   2.385   2.543   5.948
  140    HA   ASN  19           HA       ASN  19   3.102   1.689   8.351
  141   1HB   ASN  19          HB2       ASN  19   4.457   3.725   8.435
  142   2HB   ASN  19          HB3       ASN  19   4.304   3.172   6.792
  143   1HD2  ASN  19          2HD2      ASN  19   3.621   4.733   5.294
  144   2HD2  ASN  19          1HD2      ASN  19   2.825   6.250   5.786
  145    H    THR  20           H        THR  20   0.236   2.955   8.195
  146    HA   THR  20           HA       THR  20  -1.399   3.051   9.812
  147    HB   THR  20           HB       THR  20  -1.221   4.310  11.921
  148    HG1  THR  20           HG1      THR  20   1.509   4.287  11.307
  149   1HG2  THR  20          1HG2      THR  20  -1.051   1.889  11.926
  150   2HG2  THR  20          2HG2      THR  20   0.708   1.974  11.628
  151   3HG2  THR  20          3HG2      THR  20   0.030   2.594  13.147
  152    H    ASP  21           H        ASP  21   0.436   5.621   8.386
  153    HA   ASP  21           HA       ASP  21  -1.432   7.702   8.875
  154   1HB   ASP  21          HB2       ASP  21   0.934   8.074   8.263
  155   2HB   ASP  21          HB3       ASP  21   0.625   7.368   6.665
  156    H    ALA  22           H        ALA  22  -2.593   8.849   7.430
  157    HA   ALA  22           HA       ALA  22  -3.608   7.764   4.889
  158   1HB   ALA  22          HB1       ALA  22  -5.230   6.905   6.533
  159   2HB   ALA  22          HB2       ALA  22  -5.505   8.572   7.115
  160   3HB   ALA  22          HB3       ALA  22  -5.953   8.122   5.458
  161    H    THR  23           H        THR  23  -2.382  10.407   6.624
  162    HA   THR  23           HA       THR  23  -3.996  12.533   6.196
  163    HB   THR  23           HB       THR  23  -0.937  12.518   6.161
  164    HG1  THR  23           HG1      THR  23  -1.502  11.447   7.927
  165   1HG2  THR  23          1HG2      THR  23  -1.761  14.752   5.674
  166   2HG2  THR  23          2HG2      THR  23  -2.886  14.675   7.055
  167   3HG2  THR  23          3HG2      THR  23  -1.137  14.698   7.330
  168    H    GLY  24           H        GLY  24  -1.359  11.667   3.956
  169   1HA   GLY  24          HA2       GLY  24  -2.866  13.148   1.798
  170   2HA   GLY  24          HA3       GLY  24  -1.126  12.897   1.825
  171    H    LEU  25           H        LEU  25  -1.977  10.030   2.895
  172    HA   LEU  25           HA       LEU  25  -1.987   8.631   0.356
  173   1HB   LEU  25          HB2       LEU  25  -2.290   7.864   3.247
  174   2HB   LEU  25          HB3       LEU  25  -2.671   6.686   1.991
  175    HG   LEU  25           HG       LEU  25  -0.074   8.187   1.717
  176   1HD1  LEU  25          1HD1      LEU  25   1.125   6.764   3.266
  177   2HD1  LEU  25          2HD1      LEU  25  -0.143   7.633   4.131
  178   3HD1  LEU  25          3HD1      LEU  25  -0.370   5.920   3.722
  179   1HD2  LEU  25          1HD2      LEU  25  -0.863   5.267   1.316
  180   2HD2  LEU  25          2HD2      LEU  25  -0.890   6.496   0.047
  181   3HD2  LEU  25          3HD2      LEU  25   0.648   6.021   0.757
  182    H    GLU  26           H        GLU  26  -4.506   9.964   2.417
  183    HA   GLU  26           HA       GLU  26  -6.812   8.809   1.510
  184   1HB   GLU  26          HB2       GLU  26  -7.851  11.005   1.930
  185   2HB   GLU  26          HB3       GLU  26  -6.787  10.461   3.188
  186   1HG   GLU  26          HG2       GLU  26  -6.207  12.644   3.157
  187   2HG   GLU  26          HG3       GLU  26  -4.960  12.012   2.092
  188    H    GLU  27           H        GLU  27  -4.938  11.196  -0.445
  189    HA   GLU  27           HA       GLU  27  -6.678  11.187  -2.700
  190   1HB   GLU  27          HB2       GLU  27  -4.749  12.758  -2.469
  191   2HB   GLU  27          HB3       GLU  27  -3.625  11.421  -2.544
  192   1HG   GLU  27          HG2       GLU  27  -3.528  12.346  -4.666
  193   2HG   GLU  27          HG3       GLU  27  -4.473  10.909  -4.906
  194    H    ILE  28           H        ILE  28  -3.901   9.090  -1.971
  195    HA   ILE  28           HA       ILE  28  -4.003   7.727  -4.515
  196    HB   ILE  28           HB       ILE  28  -2.723   6.627  -1.996
  197   1HG1  ILE  28          2HG1      ILE  28  -2.001   8.911  -1.915
  198   2HG1  ILE  28          3HG1      ILE  28  -0.681   7.873  -2.399
  199   1HG2  ILE  28          1HG2      ILE  28  -1.018   5.818  -3.602
  200   2HG2  ILE  28          2HG2      ILE  28  -2.630   5.272  -4.100
  201   3HG2  ILE  28          3HG2      ILE  28  -1.885   6.608  -4.943
  202   1HD1  ILE  28          1HD1      ILE  28  -0.899   8.672  -4.725
  203   2HD1  ILE  28          2HD1      ILE  28  -2.341   9.621  -4.269
  204   3HD1  ILE  28          3HD1      ILE  28  -0.752  10.025  -3.594
  205    H    ASP  29           H        ASP  29  -5.344   7.183  -1.329
  206    HA   ASP  29           HA       ASP  29  -6.485   4.569  -1.721
  207   1HB   ASP  29          HB2       ASP  29  -7.166   6.875   0.139
  208   2HB   ASP  29          HB3       ASP  29  -7.910   5.277   0.228
  209    H    ARG  30           H        ARG  30  -7.961   7.926  -2.000
  210    HA   ARG  30           HA       ARG  30 -10.428   6.818  -3.028
  211   1HB   ARG  30          HB2       ARG  30 -11.140   9.040  -3.564
  212   2HB   ARG  30          HB3       ARG  30 -10.359   9.053  -1.978
  213   1HG   ARG  30          HG2       ARG  30  -8.396  10.051  -2.850
  214   2HG   ARG  30          HG3       ARG  30  -8.941   9.971  -4.525
  215   1HD   ARG  30          HD2       ARG  30 -10.504  11.686  -4.241
  216   2HD   ARG  30          HD3       ARG  30 -10.601  11.451  -2.483
  217    HE   ARG  30           HE       ARG  30  -8.249  12.681  -3.887
  218   1HH1  ARG  30          1HH2      ARG  30  -9.965  12.280  -0.822
  219   2HH1  ARG  30          2HH2      ARG  30  -8.691  13.203  -0.035
  220   1HH2  ARG  30          1HH1      ARG  30  -6.860  13.622  -2.863
  221   2HH2  ARG  30          2HH1      ARG  30  -6.840  13.768  -1.108
  222    H    ALA  31           H        ALA  31  -7.506   7.982  -4.734
  223    HA   ALA  31           HA       ALA  31  -8.513   7.797  -7.357
  224   1HB   ALA  31          HB1       ALA  31  -6.417   8.920  -6.711
  225   2HB   ALA  31          HB2       ALA  31  -5.708   7.355  -6.272
  226   3HB   ALA  31          HB3       ALA  31  -6.139   7.705  -7.972
  227    H    LEU  32           H        LEU  32  -7.694   5.225  -5.162
  228    HA   LEU  32           HA       LEU  32  -8.174   3.196  -7.309
  229   1HB   LEU  32          HB2       LEU  32  -6.332   3.084  -4.880
  230   2HB   LEU  32          HB3       LEU  32  -6.772   1.674  -5.852
  231    HG   LEU  32           HG       LEU  32  -5.563   4.153  -7.134
  232   1HD1  LEU  32          1HD1      LEU  32  -3.374   2.973  -7.068
  233   2HD1  LEU  32          2HD1      LEU  32  -3.952   3.525  -5.497
  234   3HD1  LEU  32          3HD1      LEU  32  -4.085   1.799  -5.927
  235   1HD2  LEU  32          1HD2      LEU  32  -4.921   2.578  -8.866
  236   2HD2  LEU  32          2HD2      LEU  32  -5.615   1.213  -7.932
  237   3HD2  LEU  32          3HD2      LEU  32  -6.665   2.475  -8.619
  238    H    GLY  33           H        GLY  33 -10.021   4.738  -5.411
  239   1HA   GLY  33          HA2       GLY  33 -12.088   4.362  -4.536
  240   2HA   GLY  33          HA3       GLY  33 -12.025   2.755  -5.268
  241    H    ILE  34           H        ILE  34  -9.515   3.210  -3.013
  242    HA   ILE  34           HA       ILE  34 -10.115   0.930  -1.603
  243    HB   ILE  34           HB       ILE  34  -8.346   3.169  -0.632
  244   1HG1  ILE  34          2HG1      ILE  34  -7.941   0.787  -2.500
  245   2HG1  ILE  34          3HG1      ILE  34  -7.743   2.495  -2.901
  246   1HG2  ILE  34          1HG2      ILE  34  -8.981   1.403   1.083
  247   2HG2  ILE  34          2HG2      ILE  34  -8.274   0.209  -0.009
  248   3HG2  ILE  34          3HG2      ILE  34  -7.258   1.498   0.707
  249   1HD1  ILE  34          1HD1      ILE  34  -5.597   1.522  -2.754
  250   2HD1  ILE  34          2HD1      ILE  34  -5.777   2.585  -1.329
  251   3HD1  ILE  34          3HD1      ILE  34  -5.926   0.829  -1.159
  252    HA   PRO  35           HA       PRO  35 -12.163   3.326   2.068
  253   1HB   PRO  35          HB2       PRO  35 -13.461   5.487   0.417
  254   2HB   PRO  35          HB3       PRO  35 -13.049   5.478   2.173
  255   1HG   PRO  35          HG2       PRO  35 -11.336   6.700   0.495
  256   2HG   PRO  35          HG3       PRO  35 -10.689   5.509   1.675
  257   1HD   PRO  35          HD2       PRO  35 -11.415   5.022  -1.234
  258   2HD   PRO  35          HD3       PRO  35  -9.864   4.668  -0.394
  259    H    GLU  36           H        GLU  36 -13.658   2.846  -1.165
  260    HA   GLU  36           HA       GLU  36 -16.263   2.055  -0.034
  261   1HB   GLU  36          HB2       GLU  36 -16.130   2.968  -2.278
  262   2HB   GLU  36          HB3       GLU  36 -15.045   1.692  -2.813
  263   1HG   GLU  36          HG2       GLU  36 -17.784   0.988  -1.682
  264   2HG   GLU  36          HG3       GLU  36 -17.666   1.617  -3.311
  265    H    LEU  37           H        LEU  37 -13.282   0.500  -1.128
  266    HA   LEU  37           HA       LEU  37 -14.075  -2.214  -0.924
  267   1HB   LEU  37          HB2       LEU  37 -11.275  -1.101  -0.483
  268   2HB   LEU  37          HB3       LEU  37 -11.683  -2.711  -0.968
  269    HG   LEU  37           HG       LEU  37 -12.053  -0.208  -2.649
  270   1HD1  LEU  37          1HD1      LEU  37  -9.724  -1.100  -2.397
  271   2HD1  LEU  37          2HD1      LEU  37 -10.288  -2.654  -3.038
  272   3HD1  LEU  37          3HD1      LEU  37 -10.341  -1.185  -4.047
  273   1HD2  LEU  37          1HD2      LEU  37 -13.884  -1.675  -3.220
  274   2HD2  LEU  37          2HD2      LEU  37 -12.658  -1.842  -4.483
  275   3HD2  LEU  37          3HD2      LEU  37 -12.818  -3.105  -3.244
  276    H    VAL  38           H        VAL  38 -13.269   0.069   1.520
  277    HA   VAL  38           HA       VAL  38 -12.858  -1.687   3.791
  278    HB   VAL  38           HB       VAL  38 -13.955   1.159   3.744
  279   1HG1  VAL  38          1HG1      VAL  38 -12.538  -0.242   6.033
  280   2HG1  VAL  38          2HG1      VAL  38 -13.246   1.381   6.019
  281   3HG1  VAL  38          3HG1      VAL  38 -14.306  -0.023   5.928
  282   1HG2  VAL  38          1HG2      VAL  38 -11.104   0.094   4.041
  283   2HG2  VAL  38          2HG2      VAL  38 -11.716   0.985   2.654
  284   3HG2  VAL  38          3HG2      VAL  38 -11.631   1.809   4.214
  285    H    ASN  39           H        ASN  39 -15.796   0.138   2.758
  286    HA   ASN  39           HA       ASN  39 -17.587  -1.225   4.544
  287   1HB   ASN  39          HB2       ASN  39 -18.169   0.170   1.890
  288   2HB   ASN  39          HB3       ASN  39 -19.355  -0.226   3.136
  289   1HD2  ASN  39          2HD2      ASN  39 -19.414   1.092   5.104
  290   2HD2  ASN  39          1HD2      ASN  39 -18.479   2.597   5.125
  291    H    GLN  40           H        GLN  40 -16.502  -1.934   1.253
  292    HA   GLN  40           HA       GLN  40 -18.141  -4.182   0.715
  293   1HB   GLN  40          HB2       GLN  40 -16.499  -2.761  -0.769
  294   2HB   GLN  40          HB3       GLN  40 -15.261  -3.869  -0.177
  295   1HG   GLN  40          HG2       GLN  40 -16.572  -5.786  -1.158
  296   2HG   GLN  40          HG3       GLN  40 -17.720  -4.589  -1.808
  297   1HE2  GLN  40          2HE2      GLN  40 -16.576  -2.735  -3.161
  298   2HE2  GLN  40          1HE2      GLN  40 -15.279  -3.287  -4.186
  299    H    GLY  41           H        GLY  41 -15.501  -3.912   3.027
  300   1HA   GLY  41          HA2       GLY  41 -14.546  -5.488   4.421
  301   2HA   GLY  41          HA3       GLY  41 -15.624  -6.718   3.748
  302    H    GLN  42           H        GLN  42 -13.712  -4.975   1.462
  303    HA   GLN  42           HA       GLN  42 -12.728  -7.321   0.254
  304   1HB   GLN  42          HB2       GLN  42 -13.183  -5.055  -0.754
  305   2HB   GLN  42          HB3       GLN  42 -11.726  -4.484   0.072
  306   1HG   GLN  42          HG2       GLN  42 -11.452  -4.978  -2.414
  307   2HG   GLN  42          HG3       GLN  42 -10.283  -5.750  -1.342
  308   1HE2  GLN  42          2HE2      GLN  42 -13.624  -6.529  -2.682
  309   2HE2  GLN  42          1HE2      GLN  42 -13.205  -8.234  -2.715
  310    H    ALA  43           H        ALA  43 -11.349  -5.472   2.848
  311    HA   ALA  43           HA       ALA  43  -8.595  -6.204   2.739
  312   1HB   ALA  43          HB1       ALA  43  -9.526  -4.523   4.278
  313   2HB   ALA  43          HB2       ALA  43 -10.443  -5.797   5.121
  314   3HB   ALA  43          HB3       ALA  43  -8.680  -5.812   5.178
  315    H    LEU  44           H        LEU  44 -11.463  -8.120   3.576
  316    HA   LEU  44           HA       LEU  44  -9.861 -10.169   4.963
  317   1HB   LEU  44          HB2       LEU  44 -12.867  -9.919   4.580
  318   2HB   LEU  44          HB3       LEU  44 -12.034 -11.032   5.658
  319    HG   LEU  44           HG       LEU  44 -12.091  -7.977   5.900
  320   1HD1  LEU  44          1HD1      LEU  44 -14.239  -9.097   6.487
  321   2HD1  LEU  44          2HD1      LEU  44 -13.368 -10.158   7.603
  322   3HD1  LEU  44          3HD1      LEU  44 -13.440  -8.404   7.917
  323   1HD2  LEU  44          1HD2      LEU  44  -9.975  -8.826   6.804
  324   2HD2  LEU  44          2HD2      LEU  44 -11.025  -8.341   8.130
  325   3HD2  LEU  44          3HD2      LEU  44 -10.830 -10.065   7.730
  326    H    GLU  45           H        GLU  45 -11.017  -9.729   1.739
  327    HA   GLU  45           HA       GLU  45 -11.455 -12.549   1.173
  328   1HB   GLU  45          HB2       GLU  45 -10.966 -10.108  -0.558
  329   2HB   GLU  45          HB3       GLU  45 -10.941 -11.732  -1.235
  330   1HG   GLU  45          HG2       GLU  45 -13.298 -12.047  -0.164
  331   2HG   GLU  45          HG3       GLU  45 -13.300 -10.287  -0.011
  332    HA   PRO  46           HA       PRO  46  -7.129 -13.688   0.892
  333   1HB   PRO  46          HB2       PRO  46  -7.266 -16.074  -0.389
  334   2HB   PRO  46          HB3       PRO  46  -7.991 -15.839   1.238
  335   1HG   PRO  46          HG2       PRO  46  -9.400 -15.660  -1.444
  336   2HG   PRO  46          HG3       PRO  46  -9.863 -16.648  -0.019
  337   1HD   PRO  46          HD2       PRO  46 -10.955 -14.209  -0.481
  338   2HD   PRO  46          HD3       PRO  46 -10.570 -14.741   1.181
  339    H    LYS  47           H        LYS  47  -8.820 -12.488  -1.693
  340    HA   LYS  47           HA       LYS  47  -6.424 -12.250  -3.405
  341   1HB   LYS  47          HB2       LYS  47  -7.659 -12.700  -5.439
  342   2HB   LYS  47          HB3       LYS  47  -7.876 -14.054  -4.346
  343   1HG   LYS  47          HG2       LYS  47 -10.035 -13.824  -5.007
  344   2HG   LYS  47          HG3       LYS  47 -10.089 -12.711  -3.649
  345   1HD   LYS  47          HD2       LYS  47  -9.335 -10.960  -5.647
  346   2HD   LYS  47          HD3       LYS  47 -10.173 -12.182  -6.612
  347   1HE   LYS  47          HE2       LYS  47 -11.931 -10.767  -6.097
  348   2HE   LYS  47          HE3       LYS  47 -12.050 -11.956  -4.793
  349   1HZ   LYS  47          HZ1       LYS  47 -10.539 -10.311  -3.555
  350   2HZ   LYS  47          HZ2       LYS  47 -11.024  -9.197  -4.604
  351   3HZ   LYS  47          HZ3       LYS  47 -12.123  -9.976  -3.665
  352    HT1  PRO  48           H2       PRO  48  15.350  -6.690 -12.276
  353    HT2  PRO  48           H3       PRO  48  15.246  -5.958 -13.749
  354    HA   PRO  48           HA       PRO  48  13.603  -5.661 -11.361
  355   1HB   PRO  48          HB2       PRO  48  13.237  -3.542 -13.448
  356   2HB   PRO  48          HB3       PRO  48  13.199  -3.448 -11.666
  357   1HG   PRO  48          HG2       PRO  48  15.462  -3.081 -13.576
  358   2HG   PRO  48          HG3       PRO  48  15.413  -2.656 -11.826
  359   1HD   PRO  48          HD2       PRO  48  16.961  -4.674 -12.714
  360   2HD   PRO  48          HD3       PRO  48  16.066  -4.797 -11.177
  361    H    ASN  49           H        ASN  49  13.351  -7.869 -12.388
  362    HA   ASN  49           HA       ASN  49  11.235  -7.829 -14.493
  363   1HB   ASN  49          HB2       ASN  49  12.498  -9.855 -15.510
  364   2HB   ASN  49          HB3       ASN  49  13.095  -8.231 -15.806
  365   1HD2  ASN  49          2HD2      ASN  49  13.911 -11.328 -14.289
  366   2HD2  ASN  49          1HD2      ASN  49  15.498 -10.733 -13.780
  367    H    ARG  50           H        ARG  50  12.840 -10.153 -12.215
  368    HA   ARG  50           HA       ARG  50  10.181 -11.420 -11.769
  369   1HB   ARG  50          HB2       ARG  50  12.015 -12.991 -11.965
  370   2HB   ARG  50          HB3       ARG  50  12.995 -12.104 -10.793
  371   1HG   ARG  50          HG2       ARG  50  12.082 -14.176  -9.892
  372   2HG   ARG  50          HG3       ARG  50  11.539 -12.784  -8.964
  373   1HD   ARG  50          HD2       ARG  50   9.789 -13.918 -11.169
  374   2HD   ARG  50          HD3       ARG  50   9.878 -14.715  -9.588
  375    HE   ARG  50           HE       ARG  50   9.341 -12.353  -8.677
  376   1HH1  ARG  50          1HH2      ARG  50   7.868 -13.449 -11.685
  377   2HH1  ARG  50          2HH2      ARG  50   6.484 -12.397 -11.406
  378   1HH2  ARG  50          1HH1      ARG  50   7.551 -11.329  -8.322
  379   2HH2  ARG  50          2HH1      ARG  50   6.244 -11.230  -9.417
  380    H    SER  51           H        SER  51  12.848  -9.880  -9.960
  381    HA   SER  51           HA       SER  51  10.966  -8.902  -7.891
  382   1HB   SER  51          HB2       SER  51  12.811  -7.508  -7.033
  383   2HB   SER  51          HB3       SER  51  13.195  -9.217  -7.037
  384    HG   SER  51           HG       SER  51  13.928  -7.675  -9.266
  385    H    ILE  52           H        ILE  52   9.523  -7.460  -8.548
  386    HA   ILE  52           HA       ILE  52  10.044  -5.582 -10.745
  387    HB   ILE  52           HB       ILE  52   7.689  -4.818 -10.069
  388   1HG1  ILE  52          2HG1      ILE  52   7.885  -6.027  -7.718
  389   2HG1  ILE  52          3HG1      ILE  52   6.373  -5.750  -8.549
  390   1HG2  ILE  52          1HG2      ILE  52   6.669  -6.712 -11.290
  391   2HG2  ILE  52          2HG2      ILE  52   8.192  -6.182 -12.017
  392   3HG2  ILE  52          3HG2      ILE  52   8.161  -7.661 -11.053
  393   1HD1  ILE  52          1HD1      ILE  52   7.895  -8.369  -8.680
  394   2HD1  ILE  52          2HD1      ILE  52   6.539  -8.013  -7.574
  395   3HD1  ILE  52          3HD1      ILE  52   6.276  -8.022  -9.336
  396    H    SER  53           H        SER  53  10.295  -5.510  -7.308
  397    HA   SER  53           HA       SER  53  10.099  -2.595  -7.150
  398   1HB   SER  53          HB2       SER  53  10.098  -3.080  -4.693
  399   2HB   SER  53          HB3       SER  53   8.784  -3.867  -5.600
  400    HG   SER  53           HG       SER  53   9.787  -5.337  -4.174
  401    HA   PRO  54           HA       PRO  54  14.641  -3.005  -5.827
  402   1HB   PRO  54          HB2       PRO  54  16.319  -3.372  -7.944
  403   2HB   PRO  54          HB3       PRO  54  15.658  -4.724  -6.967
  404   1HG   PRO  54          HG2       PRO  54  14.564  -3.660  -9.600
  405   2HG   PRO  54          HG3       PRO  54  14.937  -5.364  -9.155
  406   1HD   PRO  54          HD2       PRO  54  12.477  -4.301  -9.014
  407   2HD   PRO  54          HD3       PRO  54  13.024  -5.517  -7.820
  408    H    SER  55           H        SER  55  12.998  -1.703  -8.603
  409    HA   SER  55           HA       SER  55  14.455   0.856  -8.660
  410   1HB   SER  55          HB2       SER  55  12.508   1.441 -10.188
  411   2HB   SER  55          HB3       SER  55  13.493   0.068 -10.744
  412    HG   SER  55           HG       SER  55  11.161  -0.320 -10.781
  413    H    ALA  56           H        ALA  56  11.176  -0.275  -7.745
  414    HA   ALA  56           HA       ALA  56  10.338   2.107  -6.551
  415   1HB   ALA  56          HB1       ALA  56   8.519   0.698  -5.615
  416   2HB   ALA  56          HB2       ALA  56   8.926   0.066  -7.222
  417   3HB   ALA  56          HB3       ALA  56   9.537  -0.751  -5.780
  418    H    LEU  57           H        LEU  57  12.258  -0.510  -5.171
  419    HA   LEU  57           HA       LEU  57  12.394   0.155  -2.453
  420   1HB   LEU  57          HB2       LEU  57  13.290  -1.916  -3.328
  421   2HB   LEU  57          HB3       LEU  57  14.203  -1.056  -4.562
  422    HG   LEU  57           HG       LEU  57  15.816  -0.264  -2.867
  423   1HD1  LEU  57          1HD1      LEU  57  15.809  -1.658  -0.685
  424   2HD1  LEU  57          2HD1      LEU  57  14.688  -0.289  -0.802
  425   3HD1  LEU  57          3HD1      LEU  57  14.079  -1.931  -1.008
  426   1HD2  LEU  57          1HD2      LEU  57  16.296  -2.106  -4.287
  427   2HD2  LEU  57          2HD2      LEU  57  16.865  -2.531  -2.660
  428   3HD2  LEU  57          3HD2      LEU  57  15.358  -3.235  -3.298
  429    H    GLN  58           H        GLN  58  13.840   1.745  -5.268
  430    HA   GLN  58           HA       GLN  58  15.292   3.606  -3.462
  431   1HB   GLN  58          HB2       GLN  58  15.154   3.378  -6.504
  432   2HB   GLN  58          HB3       GLN  58  16.087   4.587  -5.634
  433   1HG   GLN  58          HG2       GLN  58  17.620   2.987  -4.796
  434   2HG   GLN  58          HG3       GLN  58  16.546   1.626  -5.092
  435   1HE2  GLN  58          2HE2      GLN  58  16.595   0.557  -7.171
  436   2HE2  GLN  58          1HE2      GLN  58  17.706   1.191  -8.403
  437    H    ASP  59           H        ASP  59  12.969   3.757  -6.180
  438    HA   ASP  59           HA       ASP  59  12.323   6.467  -5.517
  439   1HB   ASP  59          HB2       ASP  59  12.360   4.886  -7.837
  440   2HB   ASP  59          HB3       ASP  59  10.658   5.128  -7.581
  441    H    LEU  60           H        LEU  60  10.348   3.562  -4.890
  442    HA   LEU  60           HA       LEU  60   7.992   5.284  -4.504
  443   1HB   LEU  60          HB2       LEU  60   7.770   3.050  -5.481
  444   2HB   LEU  60          HB3       LEU  60   8.292   2.324  -3.984
  445    HG   LEU  60           HG       LEU  60   6.299   2.880  -2.863
  446   1HD1  LEU  60          1HD1      LEU  60   5.679   4.922  -5.029
  447   2HD1  LEU  60          2HD1      LEU  60   4.505   4.330  -3.841
  448   3HD1  LEU  60          3HD1      LEU  60   5.951   5.216  -3.295
  449   1HD2  LEU  60          1HD2      LEU  60   5.365   2.519  -5.747
  450   2HD2  LEU  60          2HD2      LEU  60   6.075   1.221  -4.792
  451   3HD2  LEU  60          3HD2      LEU  60   4.548   1.967  -4.264
  452    H    LEU  61           H        LEU  61  10.360   3.359  -2.783
  453    HA   LEU  61           HA       LEU  61   9.683   3.880  -0.092
  454   1HB   LEU  61          HB2       LEU  61  11.312   2.170  -1.129
  455   2HB   LEU  61          HB3       LEU  61  12.474   3.485  -1.208
  456    HG   LEU  61           HG       LEU  61  12.337   3.676   1.321
  457   1HD1  LEU  61          1HD1      LEU  61  11.245   1.721   2.528
  458   2HD1  LEU  61          2HD1      LEU  61  10.113   2.842   1.770
  459   3HD1  LEU  61          3HD1      LEU  61  10.485   1.265   1.004
  460   1HD2  LEU  61          1HD2      LEU  61  14.079   2.242   0.377
  461   2HD2  LEU  61          2HD2      LEU  61  13.413   1.440   1.807
  462   3HD2  LEU  61          3HD2      LEU  61  12.911   0.898   0.202
  463    H    ARG  62           H        ARG  62  12.048   5.784  -2.223
  464    HA   ARG  62           HA       ARG  62  12.363   8.009  -0.597
  465   1HB   ARG  62          HB2       ARG  62  13.589   7.562  -2.665
  466   2HB   ARG  62          HB3       ARG  62  12.084   7.571  -3.608
  467   1HG   ARG  62          HG2       ARG  62  11.885  10.026  -2.889
  468   2HG   ARG  62          HG3       ARG  62  13.559   9.841  -2.341
  469   1HD   ARG  62          HD2       ARG  62  13.548  10.831  -4.578
  470   2HD   ARG  62          HD3       ARG  62  14.213   9.210  -4.690
  471    HE   ARG  62           HE       ARG  62  12.599   8.800  -6.266
  472   1HH1  ARG  62          1HH2      ARG  62  11.141  11.237  -4.201
  473   2HH1  ARG  62          2HH2      ARG  62   9.643  11.194  -5.141
  474   1HH2  ARG  62          1HH1      ARG  62  10.623   8.820  -7.345
  475   2HH2  ARG  62          2HH1      ARG  62   9.298   9.624  -6.584
  476    H    THR  63           H        THR  63   9.878   7.453  -3.053
  477    HA   THR  63           HA       THR  63   8.488   9.855  -2.918
  478    HB   THR  63           HB       THR  63   7.655   7.052  -3.610
  479    HG1  THR  63           HG1      THR  63   8.914   7.835  -5.039
  480   1HG2  THR  63          1HG2      THR  63   5.876   9.492  -3.853
  481   2HG2  THR  63          2HG2      THR  63   5.754   8.077  -4.917
  482   3HG2  THR  63          3HG2      THR  63   5.496   7.872  -3.180
  483    H    LEU  64           H        LEU  64   7.917   7.066  -0.758
  484    HA   LEU  64           HA       LEU  64   6.043   8.854   0.704
  485   1HB   LEU  64          HB2       LEU  64   5.856   6.114   0.051
  486   2HB   LEU  64          HB3       LEU  64   6.202   6.197   1.770
  487    HG   LEU  64           HG       LEU  64   4.268   8.060   1.792
  488   1HD1  LEU  64          1HD1      LEU  64   3.622   6.527  -0.760
  489   2HD1  LEU  64          2HD1      LEU  64   2.540   7.649   0.047
  490   3HD1  LEU  64          3HD1      LEU  64   4.044   8.257  -0.677
  491   1HD2  LEU  64          1HD2      LEU  64   2.571   6.035   1.815
  492   2HD2  LEU  64          2HD2      LEU  64   4.035   5.065   1.597
  493   3HD2  LEU  64          3HD2      LEU  64   3.860   6.108   3.020
  494    H    LYS  65           H        LYS  65   9.316   7.643   1.020
  495    HA   LYS  65           HA       LYS  65   9.624   8.078   3.772
  496   1HB   LYS  65          HB2       LYS  65  11.445   8.172   1.384
  497   2HB   LYS  65          HB3       LYS  65  12.036   9.008   2.791
  498   1HG   LYS  65          HG2       LYS  65  10.861   6.244   3.180
  499   2HG   LYS  65          HG3       LYS  65  12.407   6.398   2.390
  500   1HD   LYS  65          HD2       LYS  65  12.766   5.999   4.716
  501   2HD   LYS  65          HD3       LYS  65  13.353   7.604   4.363
  502   1HE   LYS  65          HE2       LYS  65  10.576   7.115   5.522
  503   2HE   LYS  65          HE3       LYS  65  12.015   7.106   6.536
  504   1HZ   LYS  65          HZ1       LYS  65  11.141   9.266   6.611
  505   2HZ   LYS  65          HZ2       LYS  65  12.474   9.384   5.650
  506   3HZ   LYS  65          HZ3       LYS  65  10.978   9.407   5.003
  507    H    SER  66           H        SER  66   9.443  10.317   1.025
  508    HA   SER  66           HA       SER  66   9.540  12.781   2.632
  509   1HB   SER  66          HB2       SER  66   8.665  13.777   0.499
  510   2HB   SER  66          HB3       SER  66  10.222  12.943   0.307
  511    HG   SER  66           HG       SER  66   7.811  11.568  -0.090
  512    HA   PRO  67           HA       PRO  67   5.608  11.133   3.879
  513   1HB   PRO  67          HB2       PRO  67   5.057  13.741   5.304
  514   2HB   PRO  67          HB3       PRO  67   4.990  12.094   5.974
  515   1HG   PRO  67          HG2       PRO  67   7.104  13.707   6.525
  516   2HG   PRO  67          HG3       PRO  67   7.374  11.980   6.145
  517   1HD   PRO  67          HD2       PRO  67   7.591  14.357   4.289
  518   2HD   PRO  67          HD3       PRO  67   8.764  13.018   4.542
  519    H    SER  68           H        SER  68   3.429  11.270   4.018
  520    HA   SER  68           HA       SER  68   2.364  11.595   1.495
  521   1HB   SER  68          HB2       SER  68   0.304  10.845   2.426
  522   2HB   SER  68          HB3       SER  68   1.628  10.031   3.280
  523    HG   SER  68           HG       SER  68   0.444  10.741   4.921
  524    H    SER  69           H        SER  69   2.127  13.906   4.153
  525    HA   SER  69           HA       SER  69   0.060  15.541   3.327
  526   1HB   SER  69          HB2       SER  69   1.057  15.871   5.422
  527   2HB   SER  69          HB3       SER  69   2.646  16.256   4.727
  528    HG   SER  69           HG       SER  69   0.258  17.777   4.477
  529    HA   PRO  70           HA       PRO  70   2.372  18.096   0.066
  530   1HB   PRO  70          HB2       PRO  70   5.035  17.694  -0.515
  531   2HB   PRO  70          HB3       PRO  70   4.474  18.823   0.748
  532   1HG   PRO  70          HG2       PRO  70   5.395  15.967   1.112
  533   2HG   PRO  70          HG3       PRO  70   5.936  17.416   2.008
  534   1HD   PRO  70          HD2       PRO  70   4.036  15.791   3.028
  535   2HD   PRO  70          HD3       PRO  70   3.875  17.564   3.163
  536    H    GLN  71           H        GLN  71   3.139  14.705   0.477
  537    HA   GLN  71           HA       GLN  71   3.410  14.181  -2.387
  538   1HB   GLN  71          HB2       GLN  71   3.813  12.530   0.162
  539   2HB   GLN  71          HB3       GLN  71   3.862  11.801  -1.438
  540   1HG   GLN  71          HG2       GLN  71   5.554  14.223  -0.645
  541   2HG   GLN  71          HG3       GLN  71   6.064  12.555  -0.478
  542   1HE2  GLN  71          2HE2      GLN  71   6.573  11.286  -2.323
  543   2HE2  GLN  71          1HE2      GLN  71   6.884  12.154  -3.862
  544    H    GLN  72           H        GLN  72   0.649  14.755  -0.891
  545    HA   GLN  72           HA       GLN  72  -0.968  12.517  -1.546
  546   1HB   GLN  72          HB2       GLN  72  -2.790  13.746  -0.812
  547   2HB   GLN  72          HB3       GLN  72  -1.414  14.171   0.205
  548   1HG   GLN  72          HG2       GLN  72  -1.208  16.333  -0.967
  549   2HG   GLN  72          HG3       GLN  72  -2.665  15.986  -1.901
  550   1HE2  GLN  72          2HE2      GLN  72  -4.505  14.840   0.178
  551   2HE2  GLN  72          1HE2      GLN  72  -4.606  16.151   1.313
  552    H    GLN  73           H        GLN  73   0.393  12.769  -3.838
  553    HA   GLN  73           HA       GLN  73  -1.756  13.206  -5.773
  554   1HB   GLN  73          HB2       GLN  73   0.802  14.840  -5.735
  555   2HB   GLN  73          HB3       GLN  73   0.103  14.395  -7.282
  556   1HG   GLN  73          HG2       GLN  73  -1.272  16.030  -5.146
  557   2HG   GLN  73          HG3       GLN  73  -0.731  16.551  -6.735
  558   1HE2  GLN  73          2HE2      GLN  73  -3.250  14.992  -4.961
  559   2HE2  GLN  73          1HE2      GLN  73  -4.275  14.558  -6.283
  560    H    GLN  74           H        GLN  74  -0.802  12.778  -8.047
  561    HA   GLN  74           HA       GLN  74  -0.827   9.980  -8.092
  562   1HB   GLN  74          HB2       GLN  74   0.008  11.572 -10.500
  563   2HB   GLN  74          HB3       GLN  74  -0.988  10.124 -10.392
  564   1HG   GLN  74          HG2       GLN  74  -1.749  13.003  -9.876
  565   2HG   GLN  74          HG3       GLN  74  -2.462  11.897 -11.018
  566   1HE2  GLN  74          2HE2      GLN  74  -3.308  13.538  -8.370
  567   2HE2  GLN  74          1HE2      GLN  74  -4.363  12.430  -7.597
  568    H    GLN  75           H        GLN  75   2.044  11.671  -7.406
  569    HA   GLN  75           HA       GLN  75   3.827  10.066  -9.064
  570   1HB   GLN  75          HB2       GLN  75   5.589  11.182  -8.123
  571   2HB   GLN  75          HB3       GLN  75   4.331  12.393  -8.079
  572   1HG   GLN  75          HG2       GLN  75   5.454  10.754  -5.793
  573   2HG   GLN  75          HG3       GLN  75   5.592  12.497  -6.034
  574   1HE2  GLN  75          2HE2      GLN  75   4.504  10.942  -3.721
  575   2HE2  GLN  75          1HE2      GLN  75   2.825  11.425  -3.556
  576    H    VAL  76           H        VAL  76   2.200   9.455  -6.034
  577    HA   VAL  76           HA       VAL  76   3.879   7.099  -5.445
  578    HB   VAL  76           HB       VAL  76   0.960   7.275  -4.616
  579   1HG1  VAL  76          1HG1      VAL  76   1.740   6.062  -2.691
  580   2HG1  VAL  76          2HG1      VAL  76   2.386   5.272  -4.135
  581   3HG1  VAL  76          3HG1      VAL  76   3.440   6.324  -3.169
  582   1HG2  VAL  76          1HG2      VAL  76   3.178   8.748  -3.182
  583   2HG2  VAL  76          2HG2      VAL  76   1.697   9.457  -3.932
  584   3HG2  VAL  76          3HG2      VAL  76   1.576   8.371  -2.525
  585    H    LEU  77           H        LEU  77   0.697   7.735  -6.962
  586    HA   LEU  77           HA       LEU  77   0.084   5.092  -7.497
  587   1HB   LEU  77          HB2       LEU  77  -1.212   7.482  -7.697
  588   2HB   LEU  77          HB3       LEU  77  -1.029   7.097  -9.403
  589    HG   LEU  77           HG       LEU  77  -2.190   5.221  -7.285
  590   1HD1  LEU  77          1HD1      LEU  77  -4.370   5.750  -8.240
  591   2HD1  LEU  77          2HD1      LEU  77  -3.588   7.221  -7.652
  592   3HD1  LEU  77          3HD1      LEU  77  -3.618   6.902  -9.389
  593   1HD2  LEU  77          1HD2      LEU  77  -2.081   4.983 -10.320
  594   2HD2  LEU  77          2HD2      LEU  77  -1.342   3.890  -9.117
  595   3HD2  LEU  77          3HD2      LEU  77  -3.102   3.983  -9.274
  596    H    ASN  78           H        ASN  78   1.782   7.495  -9.469
  597    HA   ASN  78           HA       ASN  78   2.179   6.038 -11.830
  598   1HB   ASN  78          HB2       ASN  78   2.535   8.490 -11.491
  599   2HB   ASN  78          HB3       ASN  78   4.007   8.133 -10.589
  600   1HD2  ASN  78          2HD2      ASN  78   5.765   8.578 -11.928
  601   2HD2  ASN  78          1HD2      ASN  78   5.807   8.135 -13.634
  602    H    ILE  79           H        ILE  79   3.958   5.730  -8.743
  603    HA   ILE  79           HA       ILE  79   5.896   3.940 -10.100
  604    HB   ILE  79           HB       ILE  79   5.902   4.701  -7.190
  605   1HG1  ILE  79          2HG1      ILE  79   7.758   5.807  -9.354
  606   2HG1  ILE  79          3HG1      ILE  79   6.284   6.660  -8.928
  607   1HG2  ILE  79          1HG2      ILE  79   7.899   3.362  -9.116
  608   2HG2  ILE  79          2HG2      ILE  79   8.310   3.856  -7.479
  609   3HG2  ILE  79          3HG2      ILE  79   7.082   2.592  -7.756
  610   1HD1  ILE  79          1HD1      ILE  79   8.022   7.645  -7.672
  611   2HD1  ILE  79          2HD1      ILE  79   7.002   6.725  -6.560
  612   3HD1  ILE  79          3HD1      ILE  79   8.597   6.083  -7.069
  613    H    LEU  80           H        LEU  80   3.308   3.869  -7.638
  614    HA   LEU  80           HA       LEU  80   3.074   1.234  -6.866
  615   1HB   LEU  80          HB2       LEU  80   1.130   3.426  -7.572
  616   2HB   LEU  80          HB3       LEU  80   0.447   1.853  -7.277
  617    HG   LEU  80           HG       LEU  80   2.237   3.143  -5.185
  618   1HD1  LEU  80          1HD1      LEU  80   0.041   3.774  -4.063
  619   2HD1  LEU  80          2HD1      LEU  80   0.448   4.770  -5.444
  620   3HD1  LEU  80          3HD1      LEU  80  -0.784   3.491  -5.608
  621   1HD2  LEU  80          1HD2      LEU  80  -0.148   1.252  -5.034
  622   2HD2  LEU  80          2HD2      LEU  80   1.533   0.682  -5.132
  623   3HD2  LEU  80          3HD2      LEU  80   1.001   1.660  -3.733
  624    H    LYS  81           H        LYS  81   1.481   2.573  -9.852
  625    HA   LYS  81           HA       LYS  81   0.563  -0.027 -10.584
  626   1HB   LYS  81          HB2       LYS  81  -0.631   0.918 -12.162
  627   2HB   LYS  81          HB3       LYS  81  -0.281   2.387 -11.289
  628   1HG   LYS  81          HG2       LYS  81   1.128   1.399 -13.809
  629   2HG   LYS  81          HG3       LYS  81  -0.130   2.607 -13.732
  630   1HD   LYS  81          HD2       LYS  81   1.281   4.162 -12.549
  631   2HD   LYS  81          HD3       LYS  81   2.557   2.941 -12.343
  632   1HE   LYS  81          HE2       LYS  81   2.742   2.711 -14.808
  633   2HE   LYS  81          HE3       LYS  81   1.567   4.021 -15.019
  634   1HZ   LYS  81          HZ1       LYS  81   4.070   4.594 -15.097
  635   2HZ   LYS  81          HZ2       LYS  81   3.151   5.563 -14.166
  636   3HZ   LYS  81          HZ3       LYS  81   4.021   4.436 -13.456
  637    H    SER  82           H        SER  82   3.715   1.130 -10.927
  638    HA   SER  82           HA       SER  82   4.413  -0.517 -13.263
  639   1HB   SER  82          HB2       SER  82   6.661   0.223 -12.923
  640   2HB   SER  82          HB3       SER  82   5.639   1.650 -12.619
  641    HG   SER  82           HG       SER  82   5.908   1.181 -10.363
  642    H    ASN  83           H        ASN  83   3.763  -1.218 -10.028
  643    HA   ASN  83           HA       ASN  83   5.367  -3.756 -10.093
  644   1HB   ASN  83          HB2       ASN  83   5.055  -1.640  -7.921
  645   2HB   ASN  83          HB3       ASN  83   5.378  -3.330  -7.552
  646   1HD2  ASN  83          1HD2      ASN  83   6.992  -2.069 -10.478
  647   2HD2  ASN  83          2HD2      ASN  83   8.530  -2.257  -9.645
  648    HA   PRO  84           HA       PRO  84   0.871  -4.428 -10.283
  649   1HB   PRO  84          HB2       PRO  84   1.835  -7.249 -10.762
  650   2HB   PRO  84          HB3       PRO  84   0.554  -6.310 -11.591
  651   1HG   PRO  84          HG2       PRO  84   3.019  -6.628 -12.706
  652   2HG   PRO  84          HG3       PRO  84   2.124  -5.077 -12.839
  653   1HD   PRO  84          HD2       PRO  84   4.397  -5.801 -11.025
  654   2HD   PRO  84          HD3       PRO  84   4.065  -4.275 -11.869
  655    H    GLN  85           H        GLN  85   2.948  -6.776  -8.660
  656    HA   GLN  85           HA       GLN  85   1.069  -7.791  -6.771
  657   1HB   GLN  85          HB2       GLN  85   4.105  -7.672  -6.835
  658   2HB   GLN  85          HB3       GLN  85   3.211  -8.528  -5.565
  659   1HG   GLN  85          HG2       GLN  85   2.288 -10.094  -7.071
  660   2HG   GLN  85          HG3       GLN  85   2.692  -9.163  -8.509
  661   1HE2  GLN  85          2HE2      GLN  85   4.684 -10.280  -5.641
  662   2HE2  GLN  85          1HE2      GLN  85   5.991 -10.830  -6.668
  663    H    LEU  86           H        LEU  86   3.467  -5.178  -6.536
  664    HA   LEU  86           HA       LEU  86   2.957  -4.459  -3.764
  665   1HB   LEU  86          HB2       LEU  86   4.971  -3.840  -5.225
  666   2HB   LEU  86          HB3       LEU  86   3.946  -2.598  -5.952
  667    HG   LEU  86           HG       LEU  86   4.663  -2.725  -2.992
  668   1HD1  LEU  86          1HD1      LEU  86   5.777  -1.133  -5.340
  669   2HD1  LEU  86          2HD1      LEU  86   6.088  -0.737  -3.631
  670   3HD1  LEU  86          3HD1      LEU  86   6.645  -2.282  -4.315
  671   1HD2  LEU  86          1HD2      LEU  86   3.207  -0.632  -4.648
  672   2HD2  LEU  86          2HD2      LEU  86   2.682  -1.381  -3.108
  673   3HD2  LEU  86          3HD2      LEU  86   4.016  -0.255  -3.115
  674    H    MET  87           H        MET  87   1.626  -3.348  -6.887
  675    HA   MET  87           HA       MET  87  -0.100  -1.387  -5.814
  676   1HB   MET  87          HB2       MET  87   0.586  -1.986  -8.328
  677   2HB   MET  87          HB3       MET  87  -0.905  -2.967  -8.259
  678   1HG   MET  87          HG2       MET  87  -1.925  -0.806  -7.176
  679   2HG   MET  87          HG3       MET  87  -0.506  -0.009  -7.850
  680   1HE   MET  87          HE1       MET  87  -3.373   1.304  -9.948
  681   2HE   MET  87          HE2       MET  87  -3.375   0.839  -8.217
  682   3HE   MET  87          HE3       MET  87  -1.971   1.675  -8.913
  683    H    ALA  88           H        ALA  88  -0.835  -4.833  -6.589
  684    HA   ALA  88           HA       ALA  88  -3.500  -4.778  -5.542
  685   1HB   ALA  88          HB1       ALA  88  -2.630  -6.536  -7.057
  686   2HB   ALA  88          HB2       ALA  88  -1.517  -7.103  -5.794
  687   3HB   ALA  88          HB3       ALA  88  -3.264  -7.248  -5.558
  688    H    ALA  89           H        ALA  89  -0.367  -5.642  -3.966
  689    HA   ALA  89           HA       ALA  89  -1.428  -6.216  -1.396
  690   1HB   ALA  89          HB1       ALA  89   1.294  -5.061  -2.155
  691   2HB   ALA  89          HB2       ALA  89   0.892  -5.849  -0.618
  692   3HB   ALA  89          HB3       ALA  89   0.879  -6.786  -2.129
  693    H    PHE  90           H        PHE  90  -0.302  -3.081  -2.731
  694    HA   PHE  90           HA       PHE  90  -0.853  -1.391  -0.554
  695   1HB   PHE  90          HB2       PHE  90   0.293  -0.525  -2.430
  696   2HB   PHE  90          HB3       PHE  90  -1.019  -0.894  -3.532
  697    HD1  PHE  90           HD1      PHE  90   0.018   1.314  -0.719
  698    HD2  PHE  90           HD2      PHE  90  -2.900   0.701  -3.852
  699    HE1  PHE  90           HE1      PHE  90  -0.697   3.664  -0.515
  700    HE2  PHE  90           HE2      PHE  90  -3.743   2.977  -3.460
  701    HZ   PHE  90           HZ       PHE  90  -2.566   4.496  -1.835
  702    H    ILE  91           H        ILE  91  -3.087  -2.225  -3.289
  703    HA   ILE  91           HA       ILE  91  -5.323  -0.931  -2.239
  704    HB   ILE  91           HB       ILE  91  -5.114  -3.344  -4.080
  705   1HG1  ILE  91          2HG1      ILE  91  -5.861  -0.420  -4.578
  706   2HG1  ILE  91          3HG1      ILE  91  -4.229  -1.046  -4.783
  707   1HG2  ILE  91          1HG2      ILE  91  -7.504  -2.905  -4.679
  708   2HG2  ILE  91          2HG2      ILE  91  -7.344  -3.488  -3.026
  709   3HG2  ILE  91          3HG2      ILE  91  -7.601  -1.758  -3.331
  710   1HD1  ILE  91          1HD1      ILE  91  -5.108  -2.644  -6.542
  711   2HD1  ILE  91          2HD1      ILE  91  -6.669  -1.783  -6.440
  712   3HD1  ILE  91          3HD1      ILE  91  -5.217  -0.937  -6.963
  713    H    LYS  92           H        LYS  92  -4.425  -4.363  -1.764
  714    HA   LYS  92           HA       LYS  92  -6.572  -5.052  -0.001
  715   1HB   LYS  92          HB2       LYS  92  -5.072  -6.670  -1.249
  716   2HB   LYS  92          HB3       LYS  92  -3.776  -6.240  -0.149
  717   1HG   LYS  92          HG2       LYS  92  -4.701  -8.288   0.636
  718   2HG   LYS  92          HG3       LYS  92  -5.149  -7.030   1.779
  719   1HD   LYS  92          HD2       LYS  92  -6.971  -8.568   1.427
  720   2HD   LYS  92          HD3       LYS  92  -7.430  -6.958   0.856
  721   1HE   LYS  92          HE2       LYS  92  -7.088  -7.604  -1.464
  722   2HE   LYS  92          HE3       LYS  92  -6.394  -9.159  -0.987
  723   1HZ   LYS  92          HZ1       LYS  92  -8.502  -9.805  -0.104
  724   2HZ   LYS  92          HZ2       LYS  92  -9.198  -8.354  -0.435
  725   3HZ   LYS  92          HZ3       LYS  92  -8.743  -9.353  -1.632
  726    H    GLN  93           H        GLN  93  -3.168  -4.231   0.889
  727    HA   GLN  93           HA       GLN  93  -3.721  -4.377   3.686
  728   1HB   GLN  93          HB2       GLN  93  -1.542  -4.968   2.861
  729   2HB   GLN  93          HB3       GLN  93  -1.327  -3.389   2.105
  730   1HG   GLN  93          HG2       GLN  93  -0.014  -3.669   4.197
  731   2HG   GLN  93          HG3       GLN  93  -1.110  -2.281   4.157
  732   1HE2  GLN  93          2HE2      GLN  93  -1.755  -1.912   6.291
  733   2HE2  GLN  93          1HE2      GLN  93  -2.123  -3.219   7.409
  734    H    ARG  94           H        ARG  94  -3.642  -1.513   1.422
  735    HA   ARG  94           HA       ARG  94  -3.903   0.483   3.483
  736   1HB   ARG  94          HB2       ARG  94  -4.977   0.324   0.667
  737   2HB   ARG  94          HB3       ARG  94  -5.243   1.725   1.695
  738   1HG   ARG  94          HG2       ARG  94  -2.529   0.730   0.732
  739   2HG   ARG  94          HG3       ARG  94  -3.439   2.106   0.120
  740   1HD   ARG  94          HD2       ARG  94  -2.232   1.825   2.892
  741   2HD   ARG  94          HD3       ARG  94  -1.624   2.809   1.548
  742    HE   ARG  94           HE       ARG  94  -4.123   3.807   1.846
  743   1HH1  ARG  94          2HH1      ARG  94  -1.321   3.668   3.873
  744   2HH1  ARG  94          1HH1      ARG  94  -2.020   4.704   5.124
  745   1HH2  ARG  94          1HH2      ARG  94  -4.717   5.469   3.247
  746   2HH2  ARG  94          2HH2      ARG  94  -3.774   5.756   4.725
  747    H    THR  95           H        THR  95  -6.301  -1.537   1.719
  748    HA   THR  95           HA       THR  95  -8.572  -0.604   3.159
  749    HB   THR  95           HB       THR  95  -8.490  -3.471   2.232
  750    HG1  THR  95           HG1      THR  95  -7.711  -2.269   0.408
  751   1HG2  THR  95          1HG2      THR  95 -10.518  -2.402   3.373
  752   2HG2  THR  95          2HG2      THR  95 -10.543  -1.229   2.037
  753   3HG2  THR  95          3HG2      THR  95 -10.815  -2.955   1.705
  754    H    ALA  96           H        ALA  96  -6.351  -3.338   3.897
  755    HA   ALA  96           HA       ALA  96  -7.562  -4.248   6.279
  756   1HB   ALA  96          HB1       ALA  96  -5.473  -5.281   6.787
  757   2HB   ALA  96          HB2       ALA  96  -5.729  -5.392   5.038
  758   3HB   ALA  96          HB3       ALA  96  -4.589  -4.193   5.725
  759    H    LYS  97           H        LYS  97  -4.987  -1.772   5.940
  760    HA   LYS  97           HA       LYS  97  -4.825  -0.811   8.568
  761   1HB   LYS  97          HB2       LYS  97  -3.228   0.295   7.441
  762   2HB   LYS  97          HB3       LYS  97  -3.969  -0.029   5.896
  763   1HG   LYS  97          HG2       LYS  97  -3.728   2.266   5.927
  764   2HG   LYS  97          HG3       LYS  97  -5.439   2.032   6.248
  765   1HD   LYS  97          HD2       LYS  97  -4.725   2.152   8.762
  766   2HD   LYS  97          HD3       LYS  97  -3.213   2.836   8.151
  767   1HE   LYS  97          HE2       LYS  97  -4.452   4.606   6.963
  768   2HE   LYS  97          HE3       LYS  97  -5.990   3.909   7.473
  769   1HZ   LYS  97          HZ1       LYS  97  -5.466   4.491   9.755
  770   2HZ   LYS  97          HZ2       LYS  97  -3.970   5.010   9.335
  771   3HZ   LYS  97          HZ3       LYS  97  -5.295   5.815   8.843
  772    H    TYR  98           H        TYR  98  -7.111   0.230   6.003
  773    HA   TYR  98           HA       TYR  98  -8.521   1.991   7.748
  774   1HB   TYR  98          HB2       TYR  98  -9.298   0.618   5.175
  775   2HB   TYR  98          HB3       TYR  98 -10.425   1.620   6.107
  776    HD1  TYR  98           HD1      TYR  98  -9.066   3.935   6.962
  777    HD2  TYR  98           HD2      TYR  98  -8.581   1.680   3.328
  778    HE1  TYR  98           HE1      TYR  98  -8.369   6.002   5.777
  779    HE2  TYR  98           HE2      TYR  98  -8.020   3.710   2.094
  780    HH   TYR  98           HH       TYR  98  -7.018   6.080   2.733
  781    H    VAL  99           H        VAL  99  -9.515  -1.401   6.855
  782    HA   VAL  99           HA       VAL  99 -11.859  -1.210   8.456
  783    HB   VAL  99           HB       VAL  99 -12.070  -3.656   8.384
  784   1HG1  VAL  99          1HG1      VAL  99 -12.892  -2.427   6.471
  785   2HG1  VAL  99          2HG1      VAL  99 -11.272  -2.370   5.733
  786   3HG1  VAL  99          3HG1      VAL  99 -12.146  -3.913   5.914
  787   1HG2  VAL  99          1HG2      VAL  99 -10.445  -5.055   7.276
  788   2HG2  VAL  99          2HG2      VAL  99  -9.413  -3.639   6.951
  789   3HG2  VAL  99          3HG2      VAL  99  -9.648  -4.235   8.621
  790    H    ALA 100           H        ALA 100  -8.622  -1.840   9.552
  791    HA   ALA 100           HA       ALA 100  -9.486  -2.642  12.250
  792   1HB   ALA 100          HB1       ALA 100  -7.421  -3.535  11.238
  793   2HB   ALA 100          HB2       ALA 100  -6.750  -1.893  11.114
  794   3HB   ALA 100          HB3       ALA 100  -7.057  -2.608  12.708
  795    H    ASN 101           H        ASN 101  -9.390   0.326  10.713
  796    HA   ASN 101           HA       ASN 101  -8.809   1.916  13.193
  797   1HB   ASN 101          HB2       ASN 101  -7.099   1.942  11.352
  798   2HB   ASN 101          HB3       ASN 101  -8.322   2.581  10.248
  799   1HD2  ASN 101          2HD2      ASN 101  -9.134   4.362  12.915
  800   2HD2  ASN 101          1HD2      ASN 101  -7.921   5.633  12.687
  801    H    GLN 102           H        GLN 102 -10.784   1.746  10.267
  802    HA   GLN 102           HA       GLN 102 -13.135   2.924  11.598
  803   1HB   GLN 102          HB2       GLN 102 -12.008   3.816   8.911
  804   2HB   GLN 102          HB3       GLN 102 -13.661   4.139   9.450
  805   1HG   GLN 102          HG2       GLN 102 -11.152   5.167  10.862
  806   2HG   GLN 102          HG3       GLN 102 -12.168   6.079   9.755
  807   1HE2  GLN 102          2HE2      GLN 102 -12.050   4.656  13.023
  808   2HE2  GLN 102          1HE2      GLN 102 -13.449   5.607  13.584
  809    HA   PRO 103           HA       PRO 103 -13.506  -1.247   9.698
  810   1HB   PRO 103          HB2       PRO 103 -15.873  -1.366  11.550
  811   2HB   PRO 103          HB3       PRO 103 -14.605  -2.583  11.234
  812   1HG   PRO 103          HG2       PRO 103 -14.555  -1.077  13.508
  813   2HG   PRO 103          HG3       PRO 103 -13.047  -1.449  12.624
  814   1HD   PRO 103          HD2       PRO 103 -14.652   1.101  12.565
  815   2HD   PRO 103          HD3       PRO 103 -12.877   0.851  12.628
  816    H    GLY 104           H        GLY 104 -15.136  -2.365   8.443
  817   1HA   GLY 104          HA2       GLY 104 -16.933  -0.729   6.834
  818   2HA   GLY 104          HA3       GLY 104 -16.731  -2.484   6.766
  819    H    MET 105           H        MET 105 -17.764  -0.226   9.257
  820    HA   MET 105           HA       MET 105 -19.827  -2.005  10.314
  821   1HB   MET 105          HB2       MET 105 -19.902  -0.396  12.158
  822   2HB   MET 105          HB3       MET 105 -18.233  -0.812  11.749
  823   1HG   MET 105          HG2       MET 105 -18.191   1.318  10.322
  824   2HG   MET 105          HG3       MET 105 -19.679   1.782  11.117
  825   1HE   MET 105          HE1       MET 105 -16.725   3.296  10.986
  826   2HE   MET 105          HE2       MET 105 -18.208   4.042  11.616
  827   3HE   MET 105          HE3       MET 105 -16.717   4.035  12.602
  828    H    GLN 106           H        GLN 106 -20.086  -0.011   7.732
  829    HA   GLN 106           HA       GLN 106 -22.949   0.224   7.920
  830   1HB   GLN 106          HB2       GLN 106 -22.135   2.355   8.977
  831   2HB   GLN 106          HB3       GLN 106 -21.268   2.752   7.499
  832   1HG   GLN 106          HG2       GLN 106 -24.202   2.158   7.210
  833   2HG   GLN 106          HG3       GLN 106 -23.777   3.605   8.103
  834   1HE2  GLN 106          2HE2      GLN 106 -23.169   2.013   4.928
  835   2HE2  GLN 106          1HE2      GLN 106 -23.005   3.561   4.070
  Start of MODEL   12
    1   1H    GLU   1          H1        GLU   1  18.231 -10.599  -7.763
    2   2H    GLU   1          H2        GLU   1  17.611  -9.071  -7.684
    3   3H    GLU   1          H3        GLU   1  16.763 -10.362  -7.106
    4    HA   GLU   1           HA       GLU   1  15.898  -9.599  -9.231
    5   1HB   GLU   1          HB2       GLU   1  18.194  -8.785  -9.932
    6   2HB   GLU   1          HB3       GLU   1  18.626 -10.443 -10.298
    7   1HG   GLU   1          HG2       GLU   1  18.048  -9.308 -12.332
    8   2HG   GLU   1          HG3       GLU   1  16.783 -10.490 -12.018
    9    H    GLY   2           H        GLY   2  15.218 -11.651  -7.644
   10   1HA   GLY   2          HA2       GLY   2  15.044 -13.929  -9.603
   11   2HA   GLY   2          HA3       GLY   2  15.277 -14.157  -7.874
   12    H    GLN   3           H        GLN   3  13.221 -11.787  -7.588
   13    HA   GLN   3           HA       GLN   3  11.011 -11.393  -7.359
   14   1HB   GLN   3          HB2       GLN   3  10.636 -12.706  -9.531
   15   2HB   GLN   3          HB3       GLN   3  10.265 -14.082  -8.463
   16   1HG   GLN   3          HG2       GLN   3   8.437 -12.801  -7.421
   17   2HG   GLN   3          HG3       GLN   3   8.764 -11.457  -8.528
   18   1HE2  GLN   3          2HE2      GLN   3   6.144 -12.407  -8.699
   19   2HE2  GLN   3          1HE2      GLN   3   6.051 -13.452 -10.103
   20    H    SER   4           H        SER   4  12.224 -14.680  -6.668
   21    HA   SER   4           HA       SER   4  10.892 -15.181  -4.215
   22   1HB   SER   4          HB2       SER   4  13.743 -15.878  -5.016
   23   2HB   SER   4          HB3       SER   4  12.741 -16.720  -3.803
   24    HG   SER   4           HG       SER   4  12.690 -17.790  -5.835
   25    H    ASP   5           H        ASP   5  12.913 -12.449  -4.822
   26    HA   ASP   5           HA       ASP   5  13.880 -12.200  -2.080
   27   1HB   ASP   5          HB2       ASP   5  15.345 -10.475  -3.254
   28   2HB   ASP   5          HB3       ASP   5  15.706 -12.170  -3.580
   29    H    GLU   6           H        GLU   6  11.380 -11.355  -4.273
   30    HA   GLU   6           HA       GLU   6  11.114  -8.588  -3.583
   31   1HB   GLU   6          HB2       GLU   6   9.174 -10.616  -4.777
   32   2HB   GLU   6          HB3       GLU   6   8.609  -9.079  -4.210
   33   1HG   GLU   6          HG2       GLU   6  10.989  -8.767  -5.921
   34   2HG   GLU   6          HG3       GLU   6   9.654  -9.605  -6.725
   35    H    ARG   7           H        ARG   7   9.516 -11.534  -2.281
   36    HA   ARG   7           HA       ARG   7   7.590 -10.343  -0.853
   37   1HB   ARG   7          HB2       ARG   7   7.829 -12.786  -1.078
   38   2HB   ARG   7          HB3       ARG   7   9.196 -12.764   0.040
   39   1HG   ARG   7          HG2       ARG   7   7.257 -13.534   1.223
   40   2HG   ARG   7          HG3       ARG   7   7.746 -11.960   1.842
   41   1HD   ARG   7          HD2       ARG   7   5.914 -11.014   0.190
   42   2HD   ARG   7          HD3       ARG   7   5.327 -12.674   0.146
   43    HE   ARG   7           HE       ARG   7   5.167 -10.702   2.287
   44   1HH1  ARG   7          2HH2      ARG   7   4.879 -14.132   1.777
   45   2HH1  ARG   7          1HH2      ARG   7   4.397 -14.426   3.453
   46   1HH2  ARG   7          2HH1      ARG   7   4.936 -11.145   4.304
   47   2HH2  ARG   7          1HH1      ARG   7   4.269 -12.649   4.917
   48    H    ALA   8           H        ALA   8  10.875 -10.432   0.541
   49    HA   ALA   8           HA       ALA   8   9.994  -9.111   2.986
   50   1HB   ALA   8          HB1       ALA   8  12.750  -9.325   1.698
   51   2HB   ALA   8          HB2       ALA   8  12.433  -8.767   3.348
   52   3HB   ALA   8          HB3       ALA   8  12.075 -10.444   2.917
   53    H    LEU   9           H        LEU   9  11.299  -7.786  -0.129
   54    HA   LEU   9           HA       LEU   9  11.230  -5.089   1.044
   55   1HB   LEU   9          HB2       LEU   9  12.741  -4.507  -0.357
   56   2HB   LEU   9          HB3       LEU   9  12.924  -6.207  -0.720
   57    HG   LEU   9           HG       LEU   9  13.111  -4.776  -2.612
   58   1HD1  LEU   9          1HD1      LEU   9  11.778  -6.025  -4.203
   59   2HD1  LEU   9          2HD1      LEU   9  12.396  -7.109  -2.949
   60   3HD1  LEU   9          3HD1      LEU   9  10.697  -6.563  -2.920
   61   1HD2  LEU   9          1HD2      LEU   9  10.158  -4.142  -2.577
   62   2HD2  LEU   9          2HD2      LEU   9  11.407  -3.045  -1.930
   63   3HD2  LEU   9          3HD2      LEU   9  11.433  -3.536  -3.637
   64    H    LEU  10           H        LEU  10   9.223  -7.099  -0.969
   65    HA   LEU  10           HA       LEU  10   7.250  -5.189  -1.750
   66   1HB   LEU  10          HB2       LEU  10   7.659  -7.376  -2.814
   67   2HB   LEU  10          HB3       LEU  10   7.346  -8.202  -1.291
   68    HG   LEU  10           HG       LEU  10   4.992  -7.688  -1.414
   69   1HD1  LEU  10          1HD1      LEU  10   5.640  -6.360  -4.074
   70   2HD1  LEU  10          2HD1      LEU  10   4.013  -6.691  -3.440
   71   3HD1  LEU  10          3HD1      LEU  10   5.069  -5.538  -2.585
   72   1HD2  LEU  10          1HD2      LEU  10   4.433  -9.071  -3.350
   73   2HD2  LEU  10          2HD2      LEU  10   6.028  -8.792  -4.068
   74   3HD2  LEU  10          3HD2      LEU  10   5.879  -9.728  -2.561
   75    H    ASP  11           H        ASP  11   7.506  -7.487   1.060
   76    HA   ASP  11           HA       ASP  11   5.313  -6.459   2.526
   77   1HB   ASP  11          HB2       ASP  11   7.793  -7.963   3.348
   78   2HB   ASP  11          HB3       ASP  11   6.694  -7.330   4.546
   79    H    GLN  12           H        GLN  12   8.791  -5.408   2.851
   80    HA   GLN  12           HA       GLN  12   7.950  -3.410   4.700
   81   1HB   GLN  12          HB2       GLN  12  10.120  -2.723   4.862
   82   2HB   GLN  12          HB3       GLN  12  10.306  -4.386   4.337
   83   1HG   GLN  12          HG2       GLN  12  11.761  -3.528   2.886
   84   2HG   GLN  12          HG3       GLN  12  10.366  -3.106   1.900
   85   1HE2  GLN  12          2HE2      GLN  12   9.409  -0.666   3.386
   86   2HE2  GLN  12          1HE2      GLN  12  10.811   0.414   3.215
   87    H    LEU  13           H        LEU  13   7.923  -3.266   1.150
   88    HA   LEU  13           HA       LEU  13   7.336  -0.405   1.155
   89   1HB   LEU  13          HB2       LEU  13   7.443  -2.579  -0.923
   90   2HB   LEU  13          HB3       LEU  13   6.421  -1.201  -1.248
   91    HG   LEU  13           HG       LEU  13   8.679  -0.985  -2.210
   92   1HD1  LEU  13          1HD1      LEU  13   8.907   1.362  -1.699
   93   2HD1  LEU  13          2HD1      LEU  13   7.177   0.950  -1.702
   94   3HD1  LEU  13          3HD1      LEU  13   8.034   1.185  -0.170
   95   1HD2  LEU  13          1HD2      LEU  13   9.614  -0.530   0.651
   96   2HD2  LEU  13          2HD2      LEU  13  10.086  -1.900  -0.371
   97   3HD2  LEU  13          3HD2      LEU  13  10.553  -0.236  -0.811
   98    H    HIS  14           H        HIS  14   5.209  -3.391   1.038
   99    HA   HIS  14           HA       HIS  14   2.899  -1.614   0.919
  100   1HB   HIS  14          HB2       HIS  14   1.463  -3.415   1.019
  101   2HB   HIS  14          HB3       HIS  14   2.797  -3.891  -0.024
  102    HD2  HIS  14           HD2      HIS  14   3.414  -6.323   0.263
  103    HE1  HIS  14           HE1      HIS  14   2.555  -6.833   4.412
  104    HE2  HIS  14           HE2      HIS  14   3.482  -7.957   2.324
  105    H    THR  15           H        THR  15   4.747  -3.003   3.561
  106    HA   THR  15           HA       THR  15   3.085  -2.014   5.700
  107    HB   THR  15           HB       THR  15   6.108  -2.050   5.840
  108    HG1  THR  15           HG1      THR  15   5.398  -4.118   5.093
  109   1HG2  THR  15          1HG2      THR  15   5.649  -2.688   8.199
  110   2HG2  THR  15          2HG2      THR  15   4.921  -1.118   7.786
  111   3HG2  THR  15          3HG2      THR  15   3.912  -2.585   7.889
  112    H    LEU  16           H        LEU  16   5.793  -0.375   3.902
  113    HA   LEU  16           HA       LEU  16   5.500   2.103   5.255
  114   1HB   LEU  16          HB2       LEU  16   7.394   1.627   3.751
  115   2HB   LEU  16          HB3       LEU  16   6.306   1.400   2.399
  116    HG   LEU  16           HG       LEU  16   5.617   3.948   2.920
  117   1HD1  LEU  16          1HD1      LEU  16   7.568   5.274   3.622
  118   2HD1  LEU  16          2HD1      LEU  16   7.005   4.210   4.912
  119   3HD1  LEU  16          3HD1      LEU  16   8.451   3.766   3.994
  120   1HD2  LEU  16          1HD2      LEU  16   7.406   4.572   1.256
  121   2HD2  LEU  16          2HD2      LEU  16   8.007   2.897   1.415
  122   3HD2  LEU  16          3HD2      LEU  16   6.382   3.200   0.803
  123    H    LEU  17           H        LEU  17   3.829   1.027   2.175
  124    HA   LEU  17           HA       LEU  17   2.188   3.416   2.130
  125   1HB   LEU  17          HB2       LEU  17   1.706   0.723   0.846
  126   2HB   LEU  17          HB3       LEU  17   0.704   2.166   0.715
  127    HG   LEU  17           HG       LEU  17   1.760   2.183  -1.294
  128   1HD1  LEU  17          1HD1      LEU  17   3.719   3.933   0.130
  129   2HD1  LEU  17          2HD1      LEU  17   3.028   4.096  -1.486
  130   3HD1  LEU  17          3HD1      LEU  17   1.990   4.363  -0.088
  131   1HD2  LEU  17          1HD2      LEU  17   4.479   1.666  -0.097
  132   2HD2  LEU  17          2HD2      LEU  17   3.460   0.440  -0.889
  133   3HD2  LEU  17          3HD2      LEU  17   4.049   1.844  -1.812
  134    H    SER  18           H        SER  18   1.894   0.579   4.121
  135    HA   SER  18           HA       SER  18  -0.834   1.456   4.958
  136   1HB   SER  18          HB2       SER  18  -0.757  -0.709   3.827
  137   2HB   SER  18          HB3       SER  18   0.376  -1.314   5.061
  138    HG   SER  18           HG       SER  18  -1.224  -0.545   6.589
  139    H    ASN  19           H        ASN  19   1.956   2.165   6.054
  140    HA   ASN  19           HA       ASN  19   2.492   1.231   8.540
  141   1HB   ASN  19          HB2       ASN  19   3.750   3.292   8.802
  142   2HB   ASN  19          HB3       ASN  19   3.766   2.829   7.117
  143   1HD2  ASN  19          1HD2      ASN  19   3.038   4.323   5.601
  144   2HD2  ASN  19          2HD2      ASN  19   2.232   5.837   6.054
  145    H    THR  20           H        THR  20  -0.221   2.917   7.768
  146    HA   THR  20           HA       THR  20  -2.215   2.653   8.848
  147    HB   THR  20           HB       THR  20  -2.685   3.313  11.175
  148    HG1  THR  20           HG1      THR  20   0.101   3.190  11.363
  149   1HG2  THR  20          1HG2      THR  20  -2.580   0.969  10.507
  150   2HG2  THR  20          2HG2      THR  20  -0.824   0.937  10.709
  151   3HG2  THR  20          3HG2      THR  20  -1.872   1.178  12.117
  152    H    ASP  21           H        ASP  21  -0.091   5.287   8.424
  153    HA   ASP  21           HA       ASP  21  -1.885   7.410   8.751
  154   1HB   ASP  21          HB2       ASP  21   0.501   7.674   8.250
  155   2HB   ASP  21          HB3       ASP  21   0.249   7.037   6.616
  156    H    ALA  22           H        ALA  22  -3.061   8.526   7.346
  157    HA   ALA  22           HA       ALA  22  -4.112   7.408   4.811
  158   1HB   ALA  22          HB1       ALA  22  -6.440   7.798   5.427
  159   2HB   ALA  22          HB2       ALA  22  -5.691   6.595   6.467
  160   3HB   ALA  22          HB3       ALA  22  -5.937   8.253   7.080
  161    H    THR  23           H        THR  23  -2.855  10.082   6.510
  162    HA   THR  23           HA       THR  23  -4.488  12.151   6.106
  163    HB   THR  23           HB       THR  23  -1.424  12.199   5.838
  164    HG1  THR  23           HG1      THR  23  -1.886  11.145   7.670
  165   1HG2  THR  23          1HG2      THR  23  -1.596  14.405   6.973
  166   2HG2  THR  23          2HG2      THR  23  -2.374  14.418   5.377
  167   3HG2  THR  23          3HG2      THR  23  -3.361  14.324   6.862
  168    H    GLY  24           H        GLY  24  -1.920  11.525   3.655
  169   1HA   GLY  24          HA2       GLY  24  -3.747  12.766   1.631
  170   2HA   GLY  24          HA3       GLY  24  -1.995  12.793   1.517
  171    H    LEU  25           H        LEU  25  -2.741   9.836   2.820
  172    HA   LEU  25           HA       LEU  25  -2.551   8.327   0.322
  173   1HB   LEU  25          HB2       LEU  25  -2.820   7.607   3.230
  174   2HB   LEU  25          HB3       LEU  25  -3.120   6.394   1.992
  175    HG   LEU  25           HG       LEU  25  -0.596   7.902   1.562
  176   1HD1  LEU  25          1HD1      LEU  25  -0.803   6.097   4.018
  177   2HD1  LEU  25          2HD1      LEU  25  -0.645   7.855   4.057
  178   3HD1  LEU  25          3HD1      LEU  25   0.655   6.875   3.368
  179   1HD2  LEU  25          1HD2      LEU  25   0.246   5.761   0.997
  180   2HD2  LEU  25          2HD2      LEU  25  -1.002   4.911   1.938
  181   3HD2  LEU  25          3HD2      LEU  25  -1.443   5.722   0.440
  182    H    GLU  26           H        GLU  26  -5.167   9.445   2.462
  183    HA   GLU  26           HA       GLU  26  -7.256   7.853   1.601
  184   1HB   GLU  26          HB2       GLU  26  -8.668   9.662   2.478
  185   2HB   GLU  26          HB3       GLU  26  -7.277   9.387   3.509
  186   1HG   GLU  26          HG2       GLU  26  -7.331  11.631   3.582
  187   2HG   GLU  26          HG3       GLU  26  -6.150  11.389   2.303
  188    H    GLU  27           H        GLU  27  -5.977  10.713  -0.046
  189    HA   GLU  27           HA       GLU  27  -7.688  10.697  -2.320
  190   1HB   GLU  27          HB2       GLU  27  -6.286  12.611  -1.682
  191   2HB   GLU  27          HB3       GLU  27  -4.838  11.619  -1.803
  192   1HG   GLU  27          HG2       GLU  27  -5.083  13.206  -3.652
  193   2HG   GLU  27          HG3       GLU  27  -4.963  11.521  -4.163
  194    H    ILE  28           H        ILE  28  -4.498   9.109  -1.865
  195    HA   ILE  28           HA       ILE  28  -4.388   7.914  -4.478
  196    HB   ILE  28           HB       ILE  28  -3.163   6.656  -2.009
  197   1HG1  ILE  28          2HG1      ILE  28  -1.737   8.805  -3.614
  198   2HG1  ILE  28          3HG1      ILE  28  -2.586   9.165  -2.105
  199   1HG2  ILE  28          1HG2      ILE  28  -3.085   5.420  -4.211
  200   2HG2  ILE  28          2HG2      ILE  28  -2.258   6.793  -4.938
  201   3HG2  ILE  28          3HG2      ILE  28  -1.474   5.857  -3.656
  202   1HD1  ILE  28          1HD1      ILE  28  -0.289   8.826  -1.599
  203   2HD1  ILE  28          2HD1      ILE  28  -1.182   7.426  -0.964
  204   3HD1  ILE  28          3HD1      ILE  28  -0.273   7.263  -2.470
  205    H    ASP  29           H        ASP  29  -5.687   6.868  -1.376
  206    HA   ASP  29           HA       ASP  29  -6.436   4.223  -2.003
  207   1HB   ASP  29          HB2       ASP  29  -7.556   6.210   0.004
  208   2HB   ASP  29          HB3       ASP  29  -8.069   4.539  -0.092
  209    H    ARG  30           H        ARG  30  -8.473   7.234  -2.100
  210    HA   ARG  30           HA       ARG  30 -10.647   5.867  -3.425
  211   1HB   ARG  30          HB2       ARG  30 -11.651   8.000  -3.838
  212   2HB   ARG  30          HB3       ARG  30 -11.039   7.945  -2.182
  213   1HG   ARG  30          HG2       ARG  30  -9.177   9.296  -2.715
  214   2HG   ARG  30          HG3       ARG  30  -9.571   9.350  -4.437
  215   1HD   ARG  30          HD2       ARG  30 -11.533  10.694  -4.058
  216   2HD   ARG  30          HD3       ARG  30 -11.587  10.258  -2.357
  217    HE   ARG  30           HE       ARG  30  -9.528  12.084  -3.532
  218   1HH1  ARG  30          1HH2      ARG  30 -11.055  10.871  -0.600
  219   2HH1  ARG  30          2HH2      ARG  30 -10.064  11.956   0.357
  220   1HH2  ARG  30          1HH1      ARG  30  -8.451  13.239  -2.344
  221   2HH2  ARG  30          2HH1      ARG  30  -8.492  13.143  -0.599
  222    H    ALA  31           H        ALA  31  -7.849   7.643  -4.802
  223    HA   ALA  31           HA       ALA  31  -8.617   7.433  -7.489
  224   1HB   ALA  31          HB1       ALA  31  -5.808   7.381  -6.320
  225   2HB   ALA  31          HB2       ALA  31  -6.268   7.786  -7.990
  226   3HB   ALA  31          HB3       ALA  31  -6.768   8.834  -6.656
  227    H    LEU  32           H        LEU  32  -7.484   4.864  -5.370
  228    HA   LEU  32           HA       LEU  32  -7.748   2.936  -7.641
  229   1HB   LEU  32          HB2       LEU  32  -5.948   2.834  -5.206
  230   2HB   LEU  32          HB3       LEU  32  -6.272   1.439  -6.210
  231    HG   LEU  32           HG       LEU  32  -5.149   4.037  -7.372
  232   1HD1  LEU  32          1HD1      LEU  32  -2.929   2.866  -7.250
  233   2HD1  LEU  32          2HD1      LEU  32  -3.588   3.379  -5.701
  234   3HD1  LEU  32          3HD1      LEU  32  -3.688   1.658  -6.190
  235   1HD2  LEU  32          1HD2      LEU  32  -6.152   2.382  -8.971
  236   2HD2  LEU  32          2HD2      LEU  32  -4.412   2.577  -9.184
  237   3HD2  LEU  32          3HD2      LEU  32  -5.054   1.142  -8.318
  238    H    GLY  33           H        GLY  33  -9.826   4.153  -5.856
  239   1HA   GLY  33          HA2       GLY  33 -11.925   3.469  -5.250
  240   2HA   GLY  33          HA3       GLY  33 -11.527   1.914  -5.969
  241    H    ILE  34           H        ILE  34  -9.404   2.550  -3.412
  242    HA   ILE  34           HA       ILE  34 -10.127   0.225  -2.014
  243    HB   ILE  34           HB       ILE  34  -8.410   2.536  -1.150
  244   1HG1  ILE  34          2HG1      ILE  34  -7.329  -0.206  -1.640
  245   2HG1  ILE  34          3HG1      ILE  34  -8.013   0.508  -3.073
  246   1HG2  ILE  34          1HG2      ILE  34  -7.573   1.086   0.600
  247   2HG2  ILE  34          2HG2      ILE  34  -9.297   1.434   0.849
  248   3HG2  ILE  34          3HG2      ILE  34  -8.821  -0.135   0.202
  249   1HD1  ILE  34          1HD1      ILE  34  -6.563   2.391  -2.999
  250   2HD1  ILE  34          2HD1      ILE  34  -5.930   1.932  -1.395
  251   3HD1  ILE  34          3HD1      ILE  34  -5.587   0.930  -2.824
  252    HA   PRO  35           HA       PRO  35 -12.652   2.632   1.301
  253   1HB   PRO  35          HB2       PRO  35 -13.604   4.960  -0.355
  254   2HB   PRO  35          HB3       PRO  35 -13.317   4.869   1.409
  255   1HG   PRO  35          HG2       PRO  35 -11.482   6.068  -0.174
  256   2HG   PRO  35          HG3       PRO  35 -10.923   4.892   1.079
  257   1HD   PRO  35          HD2       PRO  35 -11.406   4.373  -1.874
  258   2HD   PRO  35          HD3       PRO  35  -9.961   3.986  -0.882
  259    H    GLU  36           H        GLU  36 -13.508   2.583  -2.179
  260    HA   GLU  36           HA       GLU  36 -16.275   1.815  -1.577
  261   1HB   GLU  36          HB2       GLU  36 -15.772   3.082  -3.630
  262   2HB   GLU  36          HB3       GLU  36 -14.784   1.749  -4.230
  263   1HG   GLU  36          HG2       GLU  36 -17.070   1.814  -5.209
  264   2HG   GLU  36          HG3       GLU  36 -16.697   0.305  -4.396
  265    H    LEU  37           H        LEU  37 -13.212   0.155  -2.416
  266    HA   LEU  37           HA       LEU  37 -14.299  -2.509  -2.376
  267   1HB   LEU  37          HB2       LEU  37 -11.533  -1.592  -1.487
  268   2HB   LEU  37          HB3       LEU  37 -11.999  -3.253  -1.779
  269    HG   LEU  37           HG       LEU  37 -11.929  -1.051  -3.887
  270   1HD1  LEU  37          1HD1      LEU  37 -10.096  -3.460  -3.436
  271   2HD1  LEU  37          2HD1      LEU  37  -9.989  -2.267  -4.752
  272   3HD1  LEU  37          3HD1      LEU  37  -9.693  -1.768  -3.081
  273   1HD2  LEU  37          1HD2      LEU  37 -12.486  -4.036  -4.153
  274   2HD2  LEU  37          2HD2      LEU  37 -13.631  -2.715  -4.482
  275   3HD2  LEU  37          3HD2      LEU  37 -12.190  -2.924  -5.503
  276    H    VAL  38           H        VAL  38 -13.433  -0.366   0.307
  277    HA   VAL  38           HA       VAL  38 -14.025  -2.275   2.414
  278    HB   VAL  38           HB       VAL  38 -14.170   0.765   2.522
  279   1HG1  VAL  38          1HG1      VAL  38 -13.924   0.419   4.984
  280   2HG1  VAL  38          2HG1      VAL  38 -15.485  -0.067   4.324
  281   3HG1  VAL  38          3HG1      VAL  38 -14.283  -1.306   4.729
  282   1HG2  VAL  38          1HG2      VAL  38 -11.867  -0.078   2.026
  283   2HG2  VAL  38          2HG2      VAL  38 -12.019   0.702   3.580
  284   3HG2  VAL  38          3HG2      VAL  38 -11.959  -1.083   3.492
  285    H    ASN  39           H        ASN  39 -16.101   0.240   0.834
  286    HA   ASN  39           HA       ASN  39 -18.498  -0.411   2.192
  287   1HB   ASN  39          HB2       ASN  39 -18.174   0.572  -0.677
  288   2HB   ASN  39          HB3       ASN  39 -19.669   0.604   0.243
  289   1HD2  ASN  39          2HD2      ASN  39 -18.228   2.856  -1.005
  290   2HD2  ASN  39          1HD2      ASN  39 -17.877   3.926   0.362
  291    H    GLN  40           H        GLN  40 -17.269  -1.708  -0.863
  292    HA   GLN  40           HA       GLN  40 -19.201  -3.759  -1.291
  293   1HB   GLN  40          HB2       GLN  40 -16.337  -3.492  -2.272
  294   2HB   GLN  40          HB3       GLN  40 -17.477  -4.731  -2.816
  295   1HG   GLN  40          HG2       GLN  40 -17.715  -1.735  -3.230
  296   2HG   GLN  40          HG3       GLN  40 -17.424  -2.958  -4.454
  297   1HE2  GLN  40          2HE2      GLN  40 -19.770  -0.902  -3.596
  298   2HE2  GLN  40          1HE2      GLN  40 -21.167  -1.944  -3.894
  299    H    GLY  41           H        GLY  41 -16.721  -3.628   1.107
  300   1HA   GLY  41          HA2       GLY  41 -16.491  -5.040   2.886
  301   2HA   GLY  41          HA3       GLY  41 -17.548  -6.222   2.106
  302    H    GLN  42           H        GLN  42 -14.750  -5.118   0.305
  303    HA   GLN  42           HA       GLN  42 -13.837  -7.876   0.033
  304   1HB   GLN  42          HB2       GLN  42 -12.758  -5.309  -1.201
  305   2HB   GLN  42          HB3       GLN  42 -12.504  -6.953  -1.788
  306   1HG   GLN  42          HG2       GLN  42 -15.134  -5.392  -1.785
  307   2HG   GLN  42          HG3       GLN  42 -14.132  -5.782  -3.171
  308   1HE2  GLN  42          2HE2      GLN  42 -16.976  -6.926  -1.440
  309   2HE2  GLN  42          1HE2      GLN  42 -16.846  -8.527  -2.131
  310    H    ALA  43           H        ALA  43 -13.465  -7.358   2.523
  311    HA   ALA  43           HA       ALA  43 -11.455  -5.841   3.607
  312   1HB   ALA  43          HB1       ALA  43 -11.793  -7.387   5.604
  313   2HB   ALA  43          HB2       ALA  43 -13.282  -6.752   4.874
  314   3HB   ALA  43          HB3       ALA  43 -12.778  -8.415   4.545
  315    H    LEU  44           H        LEU  44 -11.029  -9.404   3.420
  316    HA   LEU  44           HA       LEU  44  -8.045  -8.981   3.576
  317   1HB   LEU  44          HB2       LEU  44  -9.710 -10.903   5.238
  318   2HB   LEU  44          HB3       LEU  44  -7.960 -10.810   5.241
  319    HG   LEU  44           HG       LEU  44  -9.851  -8.605   6.193
  320   1HD1  LEU  44          1HD1      LEU  44  -9.036  -9.214   8.416
  321   2HD1  LEU  44          2HD1      LEU  44  -9.822 -10.597   7.639
  322   3HD1  LEU  44          3HD1      LEU  44  -8.046 -10.524   7.717
  323   1HD2  LEU  44          1HD2      LEU  44  -6.826  -8.808   6.357
  324   2HD2  LEU  44          2HD2      LEU  44  -7.746  -7.663   5.349
  325   3HD2  LEU  44          3HD2      LEU  44  -7.826  -7.539   7.113
  326    H    GLU  45           H        GLU  45 -10.587 -10.704   2.099
  327    HA   GLU  45           HA       GLU  45  -9.312 -13.110   1.331
  328   1HB   GLU  45          HB2       GLU  45 -11.132 -11.620  -0.574
  329   2HB   GLU  45          HB3       GLU  45 -10.991 -13.346  -0.297
  330   1HG   GLU  45          HG2       GLU  45 -13.052 -12.841   0.632
  331   2HG   GLU  45          HG3       GLU  45 -12.010 -12.826   2.072
  332    HA   PRO  46           HA       PRO  46  -6.077 -12.230  -1.519
  333   1HB   PRO  46          HB2       PRO  46  -7.513 -13.919  -3.577
  334   2HB   PRO  46          HB3       PRO  46  -5.787 -13.934  -3.127
  335   1HG   PRO  46          HG2       PRO  46  -7.437 -15.802  -2.074
  336   2HG   PRO  46          HG3       PRO  46  -6.295 -14.933  -0.994
  337   1HD   PRO  46          HD2       PRO  46  -9.234 -14.393  -1.447
  338   2HD   PRO  46          HD3       PRO  46  -8.305 -14.473   0.096
  339    H    LYS  47           H        LYS  47  -8.828 -10.703  -2.243
  340    HA   LYS  47           HA       LYS  47  -7.587  -8.998  -4.169
  341   1HB   LYS  47          HB2       LYS  47  -9.711  -8.756  -5.583
  342   2HB   LYS  47          HB3       LYS  47  -8.646 -10.108  -5.874
  343   1HG   LYS  47          HG2       LYS  47 -10.793 -10.913  -6.145
  344   2HG   LYS  47          HG3       LYS  47 -10.209 -11.623  -4.655
  345   1HD   LYS  47          HD2       LYS  47 -11.803  -9.083  -4.404
  346   2HD   LYS  47          HD3       LYS  47 -12.685 -10.436  -5.072
  347   1HE   LYS  47          HE2       LYS  47 -12.779 -11.586  -3.134
  348   2HE   LYS  47          HE3       LYS  47 -11.104 -11.207  -2.704
  349   1HZ   LYS  47          HZ1       LYS  47 -13.340  -9.305  -2.483
  350   2HZ   LYS  47          HZ2       LYS  47 -12.730 -10.114  -1.205
  351   3HZ   LYS  47          HZ3       LYS  47 -11.774  -9.071  -2.061
  352    HT1  PRO  48           H2       PRO  48  16.040  -5.811 -12.689
  353    HT2  PRO  48           H3       PRO  48  15.443  -4.853 -13.870
  354    HA   PRO  48           HA       PRO  48  14.330  -5.460 -11.251
  355   1HB   PRO  48          HB2       PRO  48  13.162  -3.155 -12.812
  356   2HB   PRO  48          HB3       PRO  48  13.265  -3.410 -11.050
  357   1HG   PRO  48          HG2       PRO  48  15.106  -2.041 -12.873
  358   2HG   PRO  48          HG3       PRO  48  15.262  -2.191 -11.107
  359   1HD   PRO  48          HD2       PRO  48  17.015  -3.411 -12.834
  360   2HD   PRO  48          HD3       PRO  48  16.566  -4.095 -11.258
  361    H    ASN  49           H        ASN  49  14.601  -7.293 -13.073
  362    HA   ASN  49           HA       ASN  49  12.142  -7.417 -14.781
  363   1HB   ASN  49          HB2       ASN  49  14.939  -8.528 -15.254
  364   2HB   ASN  49          HB3       ASN  49  13.556  -8.648 -16.359
  365   1HD2  ASN  49          2HD2      ASN  49  13.540  -7.099 -18.015
  366   2HD2  ASN  49          1HD2      ASN  49  14.360  -5.547 -17.833
  367    H    ARG  50           H        ARG  50  13.636  -8.936 -12.148
  368    HA   ARG  50           HA       ARG  50  11.602 -11.093 -12.255
  369   1HB   ARG  50          HB2       ARG  50  14.437 -11.138 -11.120
  370   2HB   ARG  50          HB3       ARG  50  13.226 -12.362 -10.753
  371   1HG   ARG  50          HG2       ARG  50  14.379 -11.762 -13.523
  372   2HG   ARG  50          HG3       ARG  50  14.855 -13.097 -12.482
  373   1HD   ARG  50          HD2       ARG  50  12.135 -12.699 -13.804
  374   2HD   ARG  50          HD3       ARG  50  13.353 -13.896 -14.211
  375    HE   ARG  50           HE       ARG  50  13.022 -14.919 -11.982
  376   1HH1  ARG  50          1HH2      ARG  50  10.300 -13.044 -13.212
  377   2HH1  ARG  50          2HH2      ARG  50   9.276 -13.630 -11.894
  378   1HH2  ARG  50          2HH1      ARG  50  11.585 -15.290 -10.204
  379   2HH2  ARG  50          1HH1      ARG  50   9.900 -14.939 -10.515
  380    H    SER  51           H        SER  51  13.717  -9.116 -10.184
  381    HA   SER  51           HA       SER  51  11.648  -8.820  -8.072
  382   1HB   SER  51          HB2       SER  51  14.278  -7.342  -8.203
  383   2HB   SER  51          HB3       SER  51  13.309  -7.702  -6.770
  384    HG   SER  51           HG       SER  51  14.061  -9.803  -6.823
  385    H    ILE  52           H        ILE  52  10.140  -7.215  -8.572
  386    HA   ILE  52           HA       ILE  52  10.718  -5.526 -10.924
  387    HB   ILE  52           HB       ILE  52   8.028  -5.456  -9.641
  388   1HG1  ILE  52          2HG1      ILE  52   7.385  -7.402 -11.221
  389   2HG1  ILE  52          3HG1      ILE  52   9.064  -7.919 -11.163
  390   1HG2  ILE  52          1HG2      ILE  52   8.585  -4.057 -11.576
  391   2HG2  ILE  52          2HG2      ILE  52   9.132  -5.489 -12.478
  392   3HG2  ILE  52          3HG2      ILE  52   7.418  -5.251 -12.084
  393   1HD1  ILE  52          1HD1      ILE  52   8.853  -8.427  -8.789
  394   2HD1  ILE  52          2HD1      ILE  52   7.294  -7.573  -8.695
  395   3HD1  ILE  52          3HD1      ILE  52   7.449  -9.076  -9.606
  396    H    SER  53           H        SER  53  10.317  -5.238  -7.491
  397    HA   SER  53           HA       SER  53  10.162  -2.298  -7.630
  398   1HB   SER  53          HB2       SER  53   9.697  -2.461  -5.152
  399   2HB   SER  53          HB3       SER  53   8.505  -3.033  -6.306
  400    HG   SER  53           HG       SER  53   9.646  -5.244  -5.746
  401    HA   PRO  54           HA       PRO  54  14.344  -2.875  -5.308
  402   1HB   PRO  54          HB2       PRO  54  16.398  -3.276  -7.044
  403   2HB   PRO  54          HB3       PRO  54  15.480  -4.606  -6.271
  404   1HG   PRO  54          HG2       PRO  54  14.984  -3.380  -8.992
  405   2HG   PRO  54          HG3       PRO  54  15.175  -5.134  -8.609
  406   1HD   PRO  54          HD2       PRO  54  12.762  -4.048  -8.858
  407   2HD   PRO  54          HD3       PRO  54  13.070  -5.223  -7.535
  408    H    SER  55           H        SER  55  13.352  -1.284  -8.266
  409    HA   SER  55           HA       SER  55  14.995   1.112  -7.820
  410   1HB   SER  55          HB2       SER  55  13.551   1.957  -9.748
  411   2HB   SER  55          HB3       SER  55  14.524   0.521 -10.116
  412    HG   SER  55           HG       SER  55  12.313   0.329 -10.775
  413    H    ALA  56           H        ALA  56  11.516   0.287  -7.724
  414    HA   ALA  56           HA       ALA  56  10.490   2.572  -6.422
  415   1HB   ALA  56          HB1       ALA  56   9.654  -0.339  -6.202
  416   2HB   ALA  56          HB2       ALA  56   8.643   1.051  -5.734
  417   3HB   ALA  56          HB3       ALA  56   9.115   0.834  -7.427
  418    H    LEU  57           H        LEU  57  12.172  -0.226  -4.988
  419    HA   LEU  57           HA       LEU  57  11.979   0.382  -2.270
  420   1HB   LEU  57          HB2       LEU  57  12.903  -1.707  -3.193
  421   2HB   LEU  57          HB3       LEU  57  14.131  -0.804  -4.063
  422    HG   LEU  57           HG       LEU  57  15.276  -0.271  -1.913
  423   1HD1  LEU  57          1HD1      LEU  57  14.704  -1.607   0.072
  424   2HD1  LEU  57          2HD1      LEU  57  13.379  -0.526  -0.346
  425   3HD1  LEU  57          3HD1      LEU  57  13.263  -2.251  -0.765
  426   1HD2  LEU  57          1HD2      LEU  57  15.909  -2.103  -3.437
  427   2HD2  LEU  57          2HD2      LEU  57  16.219  -2.531  -1.748
  428   3HD2  LEU  57          3HD2      LEU  57  14.806  -3.210  -2.599
  429    H    GLN  58           H        GLN  58  13.734   2.123  -4.742
  430    HA   GLN  58           HA       GLN  58  15.066   3.821  -2.691
  431   1HB   GLN  58          HB2       GLN  58  15.251   4.361  -5.653
  432   2HB   GLN  58          HB3       GLN  58  16.371   4.728  -4.358
  433   1HG   GLN  58          HG2       GLN  58  15.917   2.105  -5.796
  434   2HG   GLN  58          HG3       GLN  58  17.364   3.101  -5.753
  435   1HE2  GLN  58          2HE2      GLN  58  16.455   0.144  -4.789
  436   2HE2  GLN  58          1HE2      GLN  58  17.321   0.131  -3.239
  437    H    ASP  59           H        ASP  59  13.000   4.124  -5.580
  438    HA   ASP  59           HA       ASP  59  12.372   6.837  -5.004
  439   1HB   ASP  59          HB2       ASP  59  12.543   5.309  -7.275
  440   2HB   ASP  59          HB3       ASP  59  10.788   5.443  -7.114
  441    H    LEU  60           H        LEU  60  10.277   3.913  -4.725
  442    HA   LEU  60           HA       LEU  60   7.865   5.488  -4.192
  443   1HB   LEU  60          HB2       LEU  60   7.775   3.264  -5.251
  444   2HB   LEU  60          HB3       LEU  60   8.408   2.530  -3.788
  445    HG   LEU  60           HG       LEU  60   6.419   2.978  -2.544
  446   1HD1  LEU  60          1HD1      LEU  60   5.784   5.201  -3.275
  447   2HD1  LEU  60          2HD1      LEU  60   5.354   4.593  -4.906
  448   3HD1  LEU  60          3HD1      LEU  60   4.452   4.060  -3.476
  449   1HD2  LEU  60          1HD2      LEU  60   5.806   2.110  -5.418
  450   2HD2  LEU  60          2HD2      LEU  60   6.289   1.059  -4.063
  451   3HD2  LEU  60          3HD2      LEU  60   4.718   1.869  -4.044
  452    H    LEU  61           H        LEU  61  10.338   3.696  -2.431
  453    HA   LEU  61           HA       LEU  61   9.389   4.045   0.199
  454   1HB   LEU  61          HB2       LEU  61  11.235   2.513  -0.601
  455   2HB   LEU  61          HB3       LEU  61  12.285   3.925  -0.709
  456    HG   LEU  61           HG       LEU  61  12.099   4.255   1.726
  457   1HD1  LEU  61          1HD1      LEU  61  10.323   1.784   1.642
  458   2HD1  LEU  61          2HD1      LEU  61  11.116   2.370   3.129
  459   3HD1  LEU  61          3HD1      LEU  61   9.949   3.399   2.303
  460   1HD2  LEU  61          1HD2      LEU  61  12.809   1.389   0.982
  461   2HD2  LEU  61          2HD2      LEU  61  13.881   2.784   0.860
  462   3HD2  LEU  61          3HD2      LEU  61  13.345   2.221   2.457
  463    H    ARG  62           H        ARG  62  11.742   6.253  -1.599
  464    HA   ARG  62           HA       ARG  62  11.793   8.386   0.189
  465   1HB   ARG  62          HB2       ARG  62  13.242   8.011  -1.715
  466   2HB   ARG  62          HB3       ARG  62  11.914   8.084  -2.850
  467   1HG   ARG  62          HG2       ARG  62  12.860  10.403  -1.160
  468   2HG   ARG  62          HG3       ARG  62  13.423  10.039  -2.788
  469   1HD   ARG  62          HD2       ARG  62  10.750  11.136  -1.953
  470   2HD   ARG  62          HD3       ARG  62  11.896  11.782  -3.111
  471    HE   ARG  62           HE       ARG  62   9.695  10.071  -3.683
  472   1HH1  ARG  62          2HH2      ARG  62  13.032  10.219  -4.806
  473   2HH1  ARG  62          1HH2      ARG  62  12.577   9.322  -6.237
  474   1HH2  ARG  62          1HH1      ARG  62   9.244   9.197  -5.497
  475   2HH2  ARG  62          2HH1      ARG  62  10.422   8.950  -6.740
  476    H    THR  63           H        THR  63   9.485   7.742  -2.430
  477    HA   THR  63           HA       THR  63   7.947  10.083  -2.247
  478    HB   THR  63           HB       THR  63   7.808   7.417  -3.525
  479    HG1  THR  63           HG1      THR  63   7.190   9.981  -4.491
  480   1HG2  THR  63          1HG2      THR  63   5.309   8.913  -4.029
  481   2HG2  THR  63          2HG2      THR  63   5.859   7.286  -4.442
  482   3HG2  THR  63          3HG2      THR  63   5.423   7.635  -2.771
  483    H    LEU  64           H        LEU  64   7.644   7.288  -0.165
  484    HA   LEU  64           HA       LEU  64   5.430   8.800   1.163
  485   1HB   LEU  64          HB2       LEU  64   5.349   6.122   0.365
  486   2HB   LEU  64          HB3       LEU  64   5.778   6.062   2.062
  487    HG   LEU  64           HG       LEU  64   3.783   7.801   2.384
  488   1HD1  LEU  64          1HD1      LEU  64   3.461   8.191  -0.060
  489   2HD1  LEU  64          2HD1      LEU  64   3.010   6.487  -0.260
  490   3HD1  LEU  64          3HD1      LEU  64   1.993   7.560   0.732
  491   1HD2  LEU  64          1HD2      LEU  64   2.180   5.682   2.221
  492   2HD2  LEU  64          2HD2      LEU  64   3.723   4.837   2.014
  493   3HD2  LEU  64          3HD2      LEU  64   3.458   5.817   3.449
  494    H    LYS  65           H        LYS  65   8.706   7.643   1.649
  495    HA   LYS  65           HA       LYS  65   8.876   8.047   4.468
  496   1HB   LYS  65          HB2       LYS  65  10.841   8.245   2.159
  497   2HB   LYS  65          HB3       LYS  65  11.301   8.966   3.673
  498   1HG   LYS  65          HG2       LYS  65  10.916   6.848   4.883
  499   2HG   LYS  65          HG3       LYS  65  10.452   6.057   3.366
  500   1HD   LYS  65          HD2       LYS  65  12.684   6.467   2.422
  501   2HD   LYS  65          HD3       LYS  65  13.161   7.376   3.858
  502   1HE   LYS  65          HE2       LYS  65  12.921   5.388   5.271
  503   2HE   LYS  65          HE3       LYS  65  12.286   4.461   3.920
  504   1HZ   LYS  65          HZ1       LYS  65  14.640   4.015   4.288
  505   2HZ   LYS  65          HZ2       LYS  65  14.398   4.690   2.798
  506   3HZ   LYS  65          HZ3       LYS  65  15.012   5.584   4.019
  507    H    SER  66           H        SER  66   8.841  10.197   1.724
  508    HA   SER  66           HA       SER  66   8.747  12.719   3.279
  509   1HB   SER  66          HB2       SER  66   8.091  13.670   1.023
  510   2HB   SER  66          HB3       SER  66   9.714  12.985   1.142
  511    HG   SER  66           HG       SER  66   8.941  11.106   0.088
  512    HA   PRO  67           HA       PRO  67   4.818  10.957   4.300
  513   1HB   PRO  67          HB2       PRO  67   4.120  13.582   5.635
  514   2HB   PRO  67          HB3       PRO  67   4.057  11.933   6.310
  515   1HG   PRO  67          HG2       PRO  67   6.104  13.611   6.960
  516   2HG   PRO  67          HG3       PRO  67   6.455  11.889   6.595
  517   1HD   PRO  67          HD2       PRO  67   6.628  14.259   4.710
  518   2HD   PRO  67          HD3       PRO  67   7.868  13.011   5.086
  519    H    SER  68           H        SER  68   2.773  10.809   3.957
  520    HA   SER  68           HA       SER  68   1.943  11.282   1.432
  521   1HB   SER  68          HB2       SER  68  -0.108  10.283   2.025
  522   2HB   SER  68          HB3       SER  68   1.120   9.579   3.091
  523    HG   SER  68           HG       SER  68  -0.024  10.309   4.721
  524    H    SER  69           H        SER  69   1.349  13.475   4.070
  525    HA   SER  69           HA       SER  69  -0.966  14.752   3.466
  526   1HB   SER  69          HB2       SER  69   0.170  15.240   5.480
  527   2HB   SER  69          HB3       SER  69   1.575  15.894   4.645
  528    HG   SER  69           HG       SER  69  -1.062  16.974   4.728
  529    HA   PRO  70           HA       PRO  70   0.432  17.469  -0.081
  530   1HB   PRO  70          HB2       PRO  70   3.015  18.006  -0.698
  531   2HB   PRO  70          HB3       PRO  70   2.170  18.882   0.611
  532   1HG   PRO  70          HG2       PRO  70   4.035  16.485   0.847
  533   2HG   PRO  70          HG3       PRO  70   4.087  18.013   1.764
  534   1HD   PRO  70          HD2       PRO  70   2.869  15.777   2.771
  535   2HD   PRO  70          HD3       PRO  70   2.226  17.396   3.058
  536    H    GLN  71           H        GLN  71   2.382  14.638   0.519
  537    HA   GLN  71           HA       GLN  71   3.161  14.053  -2.195
  538   1HB   GLN  71          HB2       GLN  71   3.502  12.692   0.530
  539   2HB   GLN  71          HB3       GLN  71   4.023  11.871  -0.923
  540   1HG   GLN  71          HG2       GLN  71   4.931  14.691  -0.204
  541   2HG   GLN  71          HG3       GLN  71   5.797  13.232   0.242
  542   1HE2  GLN  71          1HE2      GLN  71   7.284  12.366  -1.258
  543   2HE2  GLN  71          2HE2      GLN  71   7.076  12.663  -2.997
  544    H    GLN  72           H        GLN  72   0.477  14.271  -2.169
  545    HA   GLN  72           HA       GLN  72  -1.055  11.867  -2.010
  546   1HB   GLN  72          HB2       GLN  72  -1.501  14.587  -3.321
  547   2HB   GLN  72          HB3       GLN  72  -2.772  13.356  -3.188
  548   1HG   GLN  72          HG2       GLN  72  -2.724  13.412  -0.802
  549   2HG   GLN  72          HG3       GLN  72  -1.322  14.499  -0.774
  550   1HE2  GLN  72          2HE2      GLN  72  -2.296  16.238   0.314
  551   2HE2  GLN  72          1HE2      GLN  72  -3.675  17.095  -0.416
  552    H    GLN  73           H        GLN  73  -2.606  11.513  -3.960
  553    HA   GLN  73           HA       GLN  73  -2.355   9.635  -5.494
  554   1HB   GLN  73          HB2       GLN  73  -3.327  10.776  -7.571
  555   2HB   GLN  73          HB3       GLN  73  -4.218  10.843  -6.083
  556   1HG   GLN  73          HG2       GLN  73  -3.773  13.142  -5.738
  557   2HG   GLN  73          HG3       GLN  73  -2.353  13.148  -6.765
  558   1HE2  GLN  73          2HE2      GLN  73  -5.990  12.734  -7.079
  559   2HE2  GLN  73          1HE2      GLN  73  -5.964  13.507  -8.660
  560    H    GLN  74           H        GLN  74  -1.358  12.015  -7.824
  561    HA   GLN  74           HA       GLN  74  -0.292  10.294  -9.568
  562   1HB   GLN  74          HB2       GLN  74   0.388  13.188  -9.033
  563   2HB   GLN  74          HB3       GLN  74   1.156  12.322 -10.360
  564   1HG   GLN  74          HG2       GLN  74  -0.938  11.855 -11.437
  565   2HG   GLN  74          HG3       GLN  74  -1.876  12.371 -10.039
  566   1HE2  GLN  74          2HE2      GLN  74  -2.646  14.471 -10.078
  567   2HE2  GLN  74          1HE2      GLN  74  -1.969  15.712 -11.145
  568    H    GLN  75           H        GLN  75   2.069  11.953  -7.300
  569    HA   GLN  75           HA       GLN  75   4.127  10.383  -8.568
  570   1HB   GLN  75          HB2       GLN  75   5.667  11.351  -6.925
  571   2HB   GLN  75          HB3       GLN  75   4.568  12.579  -7.505
  572   1HG   GLN  75          HG2       GLN  75   4.315  13.125  -5.361
  573   2HG   GLN  75          HG3       GLN  75   3.177  11.762  -5.264
  574   1HE2  GLN  75          2HE2      GLN  75   3.438  11.212  -3.048
  575   2HE2  GLN  75          1HE2      GLN  75   4.992  10.688  -2.490
  576    H    VAL  76           H        VAL  76   2.148   9.605  -5.727
  577    HA   VAL  76           HA       VAL  76   3.921   7.304  -5.149
  578    HB   VAL  76           HB       VAL  76   1.013   7.291  -4.366
  579   1HG1  VAL  76          1HG1      VAL  76   1.878   5.894  -2.564
  580   2HG1  VAL  76          2HG1      VAL  76   2.585   5.303  -4.084
  581   3HG1  VAL  76          3HG1      VAL  76   3.555   6.307  -3.000
  582   1HG2  VAL  76          1HG2      VAL  76   1.569   9.370  -3.467
  583   2HG2  VAL  76          2HG2      VAL  76   1.754   8.195  -2.137
  584   3HG2  VAL  76          3HG2      VAL  76   3.202   8.809  -2.946
  585    H    LEU  77           H        LEU  77   0.788   7.856  -6.765
  586    HA   LEU  77           HA       LEU  77   0.224   5.281  -7.457
  587   1HB   LEU  77          HB2       LEU  77  -1.235   7.306  -7.589
  588   2HB   LEU  77          HB3       LEU  77  -0.377   7.853  -9.014
  589    HG   LEU  77           HG       LEU  77  -2.575   7.011  -9.497
  590   1HD1  LEU  77          1HD1      LEU  77  -0.687   4.966 -10.681
  591   2HD1  LEU  77          2HD1      LEU  77  -2.161   5.642 -11.367
  592   3HD1  LEU  77          3HD1      LEU  77  -0.722   6.669 -11.224
  593   1HD2  LEU  77          1HD2      LEU  77  -3.211   4.688  -9.262
  594   2HD2  LEU  77          2HD2      LEU  77  -1.637   4.314  -8.513
  595   3HD2  LEU  77          3HD2      LEU  77  -2.781   5.414  -7.698
  596    H    ASN  78           H        ASN  78   2.120   7.676  -9.260
  597    HA   ASN  78           HA       ASN  78   2.689   6.265 -11.584
  598   1HB   ASN  78          HB2       ASN  78   3.109   8.685 -11.294
  599   2HB   ASN  78          HB3       ASN  78   4.371   8.331 -10.106
  600   1HD2  ASN  78          1HD2      ASN  78   6.417   8.555 -11.044
  601   2HD2  ASN  78          2HD2      ASN  78   6.737   8.129 -12.733
  602    H    ILE  79           H        ILE  79   4.394   6.089  -8.445
  603    HA   ILE  79           HA       ILE  79   6.363   4.277  -9.683
  604    HB   ILE  79           HB       ILE  79   6.372   5.200  -6.820
  605   1HG1  ILE  79          2HG1      ILE  79   8.249   6.374  -8.887
  606   2HG1  ILE  79          3HG1      ILE  79   6.633   7.079  -8.786
  607   1HG2  ILE  79          1HG2      ILE  79   8.749   4.495  -6.983
  608   2HG2  ILE  79          2HG2      ILE  79   7.713   3.134  -7.454
  609   3HG2  ILE  79          3HG2      ILE  79   8.539   4.060  -8.691
  610   1HD1  ILE  79          1HD1      ILE  79   6.914   7.533  -6.387
  611   2HD1  ILE  79          2HD1      ILE  79   8.574   6.891  -6.469
  612   3HD1  ILE  79          3HD1      ILE  79   8.096   8.350  -7.393
  613    H    LEU  80           H        LEU  80   3.633   4.207  -7.416
  614    HA   LEU  80           HA       LEU  80   3.530   1.652  -6.408
  615   1HB   LEU  80          HB2       LEU  80   1.605   3.740  -7.284
  616   2HB   LEU  80          HB3       LEU  80   0.908   2.144  -7.266
  617    HG   LEU  80           HG       LEU  80   2.383   3.241  -4.852
  618   1HD1  LEU  80          1HD1      LEU  80  -0.589   3.563  -5.560
  619   2HD1  LEU  80          2HD1      LEU  80   0.092   3.839  -3.950
  620   3HD1  LEU  80          3HD1      LEU  80   0.579   4.877  -5.293
  621   1HD2  LEU  80          1HD2      LEU  80   0.084   1.268  -5.174
  622   2HD2  LEU  80          2HD2      LEU  80   1.790   0.790  -5.087
  623   3HD2  LEU  80          3HD2      LEU  80   1.032   1.619  -3.696
  624    H    LYS  81           H        LYS  81   2.273   2.681  -9.612
  625    HA   LYS  81           HA       LYS  81   1.468   0.079 -10.388
  626   1HB   LYS  81          HB2       LYS  81   0.944   1.042 -12.465
  627   2HB   LYS  81          HB3       LYS  81   0.706   2.332 -11.284
  628   1HG   LYS  81          HG2       LYS  81   3.177   2.995 -11.853
  629   2HG   LYS  81          HG3       LYS  81   2.950   1.986 -13.285
  630   1HD   LYS  81          HD2       LYS  81   0.776   3.400 -13.615
  631   2HD   LYS  81          HD3       LYS  81   1.513   4.556 -12.499
  632   1HE   LYS  81          HE2       LYS  81   2.731   3.504 -15.082
  633   2HE   LYS  81          HE3       LYS  81   1.981   5.091 -14.911
  634   1HZ   LYS  81          HZ1       LYS  81   3.819   5.877 -13.778
  635   2HZ   LYS  81          HZ2       LYS  81   4.171   4.488 -13.072
  636   3HZ   LYS  81          HZ3       LYS  81   4.577   4.730 -14.649
  637    H    SER  82           H        SER  82   4.679   1.237 -10.242
  638    HA   SER  82           HA       SER  82   5.737  -0.140 -12.570
  639   1HB   SER  82          HB2       SER  82   7.920   0.475 -11.745
  640   2HB   SER  82          HB3       SER  82   6.867   1.871 -11.472
  641    HG   SER  82           HG       SER  82   6.733   1.288  -9.309
  642    H    ASN  83           H        ASN  83   5.130  -1.170  -9.297
  643    HA   ASN  83           HA       ASN  83   6.194  -3.830 -10.094
  644   1HB   ASN  83          HB2       ASN  83   7.489  -3.161  -8.265
  645   2HB   ASN  83          HB3       ASN  83   6.050  -2.714  -7.323
  646   1HD2  ASN  83          2HD2      ASN  83   7.636  -4.555  -5.980
  647   2HD2  ASN  83          1HD2      ASN  83   7.099  -6.148  -6.383
  648    HA   PRO  84           HA       PRO  84   1.688  -4.202 -10.285
  649   1HB   PRO  84          HB2       PRO  84   2.227  -7.015 -11.075
  650   2HB   PRO  84          HB3       PRO  84   1.352  -5.734 -11.957
  651   1HG   PRO  84          HG2       PRO  84   3.842  -6.579 -12.744
  652   2HG   PRO  84          HG3       PRO  84   3.384  -4.833 -12.843
  653   1HD   PRO  84          HD2       PRO  84   4.913  -6.229 -10.647
  654   2HD   PRO  84          HD3       PRO  84   5.330  -4.751 -11.543
  655    H    GLN  85           H        GLN  85   3.896  -6.449  -8.649
  656    HA   GLN  85           HA       GLN  85   1.903  -7.807  -7.046
  657   1HB   GLN  85          HB2       GLN  85   4.858  -7.497  -6.361
  658   2HB   GLN  85          HB3       GLN  85   3.751  -8.756  -5.819
  659   1HG   GLN  85          HG2       GLN  85   3.591  -9.524  -8.226
  660   2HG   GLN  85          HG3       GLN  85   4.936  -8.411  -8.590
  661   1HE2  GLN  85          2HE2      GLN  85   6.850  -8.872  -6.472
  662   2HE2  GLN  85          1HE2      GLN  85   7.136 -10.596  -6.469
  663    H    LEU  86           H        LEU  86   4.206  -5.138  -6.445
  664    HA   LEU  86           HA       LEU  86   3.234  -4.564  -3.802
  665   1HB   LEU  86          HB2       LEU  86   5.430  -3.799  -4.692
  666   2HB   LEU  86          HB3       LEU  86   4.585  -2.671  -5.746
  667    HG   LEU  86           HG       LEU  86   5.659  -1.798  -3.586
  668   1HD1  LEU  86          1HD1      LEU  86   4.034  -0.082  -3.245
  669   2HD1  LEU  86          2HD1      LEU  86   4.110  -0.448  -4.980
  670   3HD1  LEU  86          3HD1      LEU  86   2.744  -1.023  -3.982
  671   1HD2  LEU  86          1HD2      LEU  86   3.104  -2.846  -2.284
  672   2HD2  LEU  86          2HD2      LEU  86   4.783  -3.372  -1.934
  673   3HD2  LEU  86          3HD2      LEU  86   4.272  -1.733  -1.562
  674    H    MET  87           H        MET  87   2.248  -3.250  -7.049
  675    HA   MET  87           HA       MET  87   0.384  -1.432  -6.030
  676   1HB   MET  87          HB2       MET  87   1.245  -1.877  -8.513
  677   2HB   MET  87          HB3       MET  87  -0.226  -2.868  -8.613
  678   1HG   MET  87          HG2       MET  87  -1.383  -0.786  -7.506
  679   2HG   MET  87          HG3       MET  87   0.095   0.077  -7.934
  680   1HE   MET  87          HE1       MET  87  -2.524   1.636 -10.121
  681   2HE   MET  87          HE2       MET  87  -2.642   0.990  -8.451
  682   3HE   MET  87          HE3       MET  87  -1.195   1.859  -8.964
  683    H    ALA  88           H        ALA  88  -0.162  -4.909  -6.920
  684    HA   ALA  88           HA       ALA  88  -2.924  -4.915  -6.133
  685   1HB   ALA  88          HB1       ALA  88  -0.878  -7.175  -6.268
  686   2HB   ALA  88          HB2       ALA  88  -2.632  -7.381  -6.108
  687   3HB   ALA  88          HB3       ALA  88  -1.964  -6.643  -7.578
  688    H    ALA  89           H        ALA  89   0.092  -5.705  -4.303
  689    HA   ALA  89           HA       ALA  89  -1.168  -6.375  -1.857
  690   1HB   ALA  89          HB1       ALA  89   1.023  -5.965  -0.851
  691   2HB   ALA  89          HB2       ALA  89   1.195  -6.851  -2.389
  692   3HB   ALA  89          HB3       ALA  89   1.569  -5.117  -2.315
  693    H    PHE  90           H        PHE  90  -0.107  -3.125  -3.054
  694    HA   PHE  90           HA       PHE  90  -0.883  -1.593  -0.833
  695   1HB   PHE  90          HB2       PHE  90   0.359  -0.597  -2.639
  696   2HB   PHE  90          HB3       PHE  90  -0.890  -0.933  -3.802
  697    HD1  PHE  90           HD1      PHE  90  -0.044   1.113  -0.829
  698    HD2  PHE  90           HD2      PHE  90  -2.856   0.544  -4.029
  699    HE1  PHE  90           HE1      PHE  90  -0.832   3.466  -0.544
  700    HE2  PHE  90           HE2      PHE  90  -3.754   2.822  -3.628
  701    HZ   PHE  90           HZ       PHE  90  -2.665   4.318  -1.935
  702    H    ILE  91           H        ILE  91  -2.848  -2.368  -3.784
  703    HA   ILE  91           HA       ILE  91  -5.217  -1.211  -2.869
  704    HB   ILE  91           HB       ILE  91  -4.808  -3.561  -4.757
  705   1HG1  ILE  91          2HG1      ILE  91  -5.472  -0.622  -5.285
  706   2HG1  ILE  91          3HG1      ILE  91  -3.843  -1.269  -5.351
  707   1HG2  ILE  91          1HG2      ILE  91  -7.134  -3.143  -5.541
  708   2HG2  ILE  91          2HG2      ILE  91  -7.128  -3.643  -3.868
  709   3HG2  ILE  91          3HG2      ILE  91  -7.348  -1.919  -4.283
  710   1HD1  ILE  91          1HD1      ILE  91  -4.650  -1.098  -7.576
  711   2HD1  ILE  91          2HD1      ILE  91  -4.529  -2.819  -7.182
  712   3HD1  ILE  91          3HD1      ILE  91  -6.121  -2.015  -7.228
  713    H    LYS  92           H        LYS  92  -4.202  -4.661  -2.464
  714    HA   LYS  92           HA       LYS  92  -6.435  -5.470  -0.942
  715   1HB   LYS  92          HB2       LYS  92  -4.902  -7.049  -1.978
  716   2HB   LYS  92          HB3       LYS  92  -3.567  -6.470  -0.978
  717   1HG   LYS  92          HG2       LYS  92  -4.249  -8.551  -0.093
  718   2HG   LYS  92          HG3       LYS  92  -4.787  -7.356   1.078
  719   1HD   LYS  92          HD2       LYS  92  -6.593  -8.504  -1.087
  720   2HD   LYS  92          HD3       LYS  92  -6.348  -9.295   0.459
  721   1HE   LYS  92          HE2       LYS  92  -7.506  -7.685   1.686
  722   2HE   LYS  92          HE3       LYS  92  -7.295  -6.423   0.484
  723   1HZ   LYS  92          HZ1       LYS  92  -8.940  -8.809  -0.009
  724   2HZ   LYS  92          HZ2       LYS  92  -9.557  -7.325   0.428
  725   3HZ   LYS  92          HZ3       LYS  92  -8.783  -7.540  -0.969
  726    H    GLN  93           H        GLN  93  -3.161  -4.563   0.284
  727    HA   GLN  93           HA       GLN  93  -4.010  -4.823   2.998
  728   1HB   GLN  93          HB2       GLN  93  -1.761  -5.364   2.444
  729   2HB   GLN  93          HB3       GLN  93  -1.455  -3.742   1.803
  730   1HG   GLN  93          HG2       GLN  93  -0.437  -4.122   4.017
  731   2HG   GLN  93          HG3       GLN  93  -1.543  -2.746   3.912
  732   1HE2  GLN  93          1HE2      GLN  93  -2.289  -2.511   6.000
  733   2HE2  GLN  93          2HE2      GLN  93  -2.940  -3.806   6.987
  734    H    ARG  94           H        ARG  94  -3.850  -1.874   0.861
  735    HA   ARG  94           HA       ARG  94  -4.328  -0.014   3.008
  736   1HB   ARG  94          HB2       ARG  94  -5.180   0.081   0.108
  737   2HB   ARG  94          HB3       ARG  94  -5.477   1.378   1.274
  738   1HG   ARG  94          HG2       ARG  94  -2.720   0.406   0.449
  739   2HG   ARG  94          HG3       ARG  94  -3.551   1.848  -0.136
  740   1HD   ARG  94          HD2       ARG  94  -2.566   1.347   2.705
  741   2HD   ARG  94          HD3       ARG  94  -1.870   2.430   1.484
  742    HE   ARG  94           HE       ARG  94  -4.405   3.375   1.698
  743   1HH1  ARG  94          1HH1      ARG  94  -1.610   3.271   3.821
  744   2HH1  ARG  94          2HH1      ARG  94  -2.341   4.410   4.944
  745   1HH2  ARG  94          2HH2      ARG  94  -5.063   5.001   3.099
  746   2HH2  ARG  94          1HH2      ARG  94  -4.106   5.378   4.531
  747    H    THR  95           H        THR  95  -6.498  -2.060   1.026
  748    HA   THR  95           HA       THR  95  -8.942  -1.170   2.243
  749    HB   THR  95           HB       THR  95  -8.723  -4.003   1.216
  750    HG1  THR  95           HG1      THR  95  -7.805  -2.706  -0.505
  751   1HG2  THR  95          1HG2      THR  95 -10.765  -1.764   1.007
  752   2HG2  THR  95          2HG2      THR  95 -11.015  -3.451   0.505
  753   3HG2  THR  95          3HG2      THR  95 -10.834  -3.057   2.226
  754    H    ALA  96           H        ALA  96  -6.860  -3.972   3.032
  755    HA   ALA  96           HA       ALA  96  -8.153  -4.843   5.365
  756   1HB   ALA  96          HB1       ALA  96  -5.161  -4.797   4.838
  757   2HB   ALA  96          HB2       ALA  96  -6.043  -5.864   5.941
  758   3HB   ALA  96          HB3       ALA  96  -6.294  -6.011   4.189
  759    H    LYS  97           H        LYS  97  -5.548  -2.358   5.134
  760    HA   LYS  97           HA       LYS  97  -5.399  -1.572   7.804
  761   1HB   LYS  97          HB2       LYS  97  -3.815  -0.283   6.983
  762   2HB   LYS  97          HB3       LYS  97  -4.296  -0.698   5.352
  763   1HG   LYS  97          HG2       LYS  97  -4.200   1.598   5.273
  764   2HG   LYS  97          HG3       LYS  97  -5.921   1.312   5.472
  765   1HD   LYS  97          HD2       LYS  97  -5.393   1.557   8.044
  766   2HD   LYS  97          HD3       LYS  97  -3.872   2.276   7.490
  767   1HE   LYS  97          HE2       LYS  97  -5.190   3.955   6.161
  768   2HE   LYS  97          HE3       LYS  97  -6.677   3.230   6.767
  769   1HZ   LYS  97          HZ1       LYS  97  -6.235   4.998   8.230
  770   2HZ   LYS  97          HZ2       LYS  97  -5.733   3.694   9.056
  771   3HZ   LYS  97          HZ3       LYS  97  -4.637   4.646   8.388
  772    H    TYR  98           H        TYR  98  -7.697  -0.291   5.346
  773    HA   TYR  98           HA       TYR  98  -9.019   1.429   7.191
  774   1HB   TYR  98          HB2       TYR  98  -9.933   0.103   4.640
  775   2HB   TYR  98          HB3       TYR  98 -11.044   1.042   5.646
  776    HD1  TYR  98           HD1      TYR  98 -10.026   3.425   6.422
  777    HD2  TYR  98           HD2      TYR  98  -8.865   1.152   2.971
  778    HE1  TYR  98           HE1      TYR  98  -9.151   5.495   5.358
  779    HE2  TYR  98           HE2      TYR  98  -8.256   3.193   1.776
  780    HH   TYR  98           HH       TYR  98  -7.392   5.521   2.468
  781    H    VAL  99           H        VAL  99 -10.075  -1.905   6.276
  782    HA   VAL  99           HA       VAL  99 -12.157  -1.848   8.260
  783    HB   VAL  99           HB       VAL  99 -12.409  -4.255   7.905
  784   1HG1  VAL  99          1HG1      VAL  99 -12.019  -2.701   5.294
  785   2HG1  VAL  99          2HG1      VAL  99 -13.016  -4.144   5.528
  786   3HG1  VAL  99          3HG1      VAL  99 -13.443  -2.632   6.342
  787   1HG2  VAL  99          1HG2      VAL  99 -10.002  -4.037   6.054
  788   2HG2  VAL  99          2HG2      VAL  99 -10.016  -4.896   7.608
  789   3HG2  VAL  99          3HG2      VAL  99 -11.038  -5.444   6.266
  790    H    ALA 100           H        ALA 100  -8.764  -2.703   8.626
  791    HA   ALA 100           HA       ALA 100  -9.189  -3.813  11.299
  792   1HB   ALA 100          HB1       ALA 100  -6.646  -3.129   9.796
  793   2HB   ALA 100          HB2       ALA 100  -6.766  -4.085  11.293
  794   3HB   ALA 100          HB3       ALA 100  -7.471  -4.712   9.800
  795    H    ASN 101           H        ASN 101  -8.079  -0.631  10.060
  796    HA   ASN 101           HA       ASN 101  -7.709   0.264  12.893
  797   1HB   ASN 101          HB2       ASN 101  -5.575   0.058  12.141
  798   2HB   ASN 101          HB3       ASN 101  -5.982   0.342  10.466
  799   1HD2  ASN 101          2HD2      ASN 101  -5.231   2.033  13.529
  800   2HD2  ASN 101          1HD2      ASN 101  -4.872   3.540  12.659
  801    H    GLN 102           H        GLN 102  -9.522   1.027  10.028
  802    HA   GLN 102           HA       GLN 102 -10.697   3.261  11.524
  803   1HB   GLN 102          HB2       GLN 102  -9.636   3.603   8.684
  804   2HB   GLN 102          HB3       GLN 102 -10.791   4.684   9.485
  805   1HG   GLN 102          HG2       GLN 102  -9.104   5.147  11.253
  806   2HG   GLN 102          HG3       GLN 102  -7.916   4.199  10.347
  807   1HE2  GLN 102          2HE2      GLN 102 -10.030   7.083  10.162
  808   2HE2  GLN 102          1HE2      GLN 102  -9.058   7.868   8.912
  809    HA   PRO 103           HA       PRO 103 -13.467   0.176   9.295
  810   1HB   PRO 103          HB2       PRO 103 -14.762  -0.950  11.438
  811   2HB   PRO 103          HB3       PRO 103 -13.093  -1.384  10.979
  812   1HG   PRO 103          HG2       PRO 103 -13.963   0.666  13.049
  813   2HG   PRO 103          HG3       PRO 103 -12.859  -0.738  13.277
  814   1HD   PRO 103          HD2       PRO 103 -11.910   1.733  12.735
  815   2HD   PRO 103          HD3       PRO 103 -11.167   0.288  11.977
  816    H    GLY 104           H        GLY 104 -13.960   3.075   9.687
  817   1HA   GLY 104          HA2       GLY 104 -15.669   4.644   9.625
  818   2HA   GLY 104          HA3       GLY 104 -16.840   3.317   9.522
  819    H    MET 105           H        MET 105 -16.552   1.989  11.816
  820    HA   MET 105           HA       MET 105 -17.485   3.711  13.993
  821   1HB   MET 105          HB2       MET 105 -17.707   1.630  15.265
  822   2HB   MET 105          HB3       MET 105 -18.475   1.536  13.695
  823   1HG   MET 105          HG2       MET 105 -16.278   0.363  12.903
  824   2HG   MET 105          HG3       MET 105 -15.942   0.152  14.624
  825   1HE   MET 105          HE1       MET 105 -17.797  -1.034  11.513
  826   2HE   MET 105          HE2       MET 105 -19.193  -1.948  12.137
  827   3HE   MET 105          HE3       MET 105 -19.159  -0.177  12.265
  828    H    GLN 106           H        GLN 106 -15.708   5.137  13.975
  829    HA   GLN 106           HA       GLN 106 -13.547   4.424  15.836
  830   1HB   GLN 106          HB2       GLN 106 -11.783   5.179  14.327
  831   2HB   GLN 106          HB3       GLN 106 -12.667   3.867  13.602
  832   1HG   GLN 106          HG2       GLN 106 -13.002   5.097  11.762
  833   2HG   GLN 106          HG3       GLN 106 -13.966   6.253  12.678
  834   1HE2  GLN 106          2HE2      GLN 106 -12.194   7.647  14.210
  835   2HE2  GLN 106          1HE2      GLN 106 -11.015   8.449  13.161
  Start of MODEL   13
    1   1H    GLU   1          H1        GLU   1  16.392  -9.399  -6.943
    2   2H    GLU   1          H2        GLU   1  17.850  -9.858  -7.560
    3   3H    GLU   1          H3        GLU   1  17.194  -8.381  -7.915
    4    HA   GLU   1           HA       GLU   1  15.313  -9.541  -9.030
    5   1HB   GLU   1          HB2       GLU   1  17.297  -8.504 -10.197
    6   2HB   GLU   1          HB3       GLU   1  18.070 -10.082 -10.198
    7   1HG   GLU   1          HG2       GLU   1  17.131  -9.883 -12.319
    8   2HG   GLU   1          HG3       GLU   1  15.988 -10.934 -11.462
    9    H    GLY   2           H        GLY   2  14.936 -11.292  -7.121
   10   1HA   GLY   2          HA2       GLY   2  15.328 -13.946  -8.361
   11   2HA   GLY   2          HA3       GLY   2  16.043 -13.638  -6.781
   12    H    GLN   3           H        GLN   3  13.088 -12.006  -7.414
   13    HA   GLN   3           HA       GLN   3  11.067 -12.016  -6.590
   14   1HB   GLN   3          HB2       GLN   3  11.191 -14.058  -8.185
   15   2HB   GLN   3          HB3       GLN   3  10.903 -15.013  -6.736
   16   1HG   GLN   3          HG2       GLN   3   8.810 -13.807  -6.321
   17   2HG   GLN   3          HG3       GLN   3   9.163 -12.661  -7.630
   18   1HE2  GLN   3          2HE2      GLN   3   7.345 -15.419  -6.926
   19   2HE2  GLN   3          1HE2      GLN   3   7.183 -15.961  -8.597
   20    H    SER   4           H        SER   4  13.368 -13.439  -4.733
   21    HA   SER   4           HA       SER   4  11.831 -14.068  -2.301
   22   1HB   SER   4          HB2       SER   4  14.841 -14.133  -2.822
   23   2HB   SER   4          HB3       SER   4  13.936 -14.920  -1.520
   24    HG   SER   4           HG       SER   4  13.763 -15.473  -4.324
   25    H    ASP   5           H        ASP   5  14.193 -11.755  -3.584
   26    HA   ASP   5           HA       ASP   5  14.562 -10.051  -1.305
   27   1HB   ASP   5          HB2       ASP   5  15.703  -8.693  -3.119
   28   2HB   ASP   5          HB3       ASP   5  16.344 -10.328  -2.999
   29    H    GLU   6           H        GLU   6  12.736 -10.248  -4.380
   30    HA   GLU   6           HA       GLU   6  11.182  -7.930  -4.146
   31   1HB   GLU   6          HB2       GLU   6  11.228  -9.533  -6.090
   32   2HB   GLU   6          HB3       GLU   6  10.252 -10.642  -5.117
   33   1HG   GLU   6          HG2       GLU   6   8.825  -9.413  -6.672
   34   2HG   GLU   6          HG3       GLU   6   8.424  -9.074  -4.998
   35    H    ARG   7           H        ARG   7  10.403 -11.215  -2.785
   36    HA   ARG   7           HA       ARG   7   7.941 -10.276  -1.748
   37   1HB   ARG   7          HB2       ARG   7   8.931 -12.716  -2.079
   38   2HB   ARG   7          HB3       ARG   7   9.436 -12.550  -0.404
   39   1HG   ARG   7          HG2       ARG   7   6.546 -12.090  -1.303
   40   2HG   ARG   7          HG3       ARG   7   7.151 -13.700  -1.002
   41   1HD   ARG   7          HD2       ARG   7   7.086 -11.442   1.027
   42   2HD   ARG   7          HD3       ARG   7   5.936 -12.763   0.944
   43    HE   ARG   7           HE       ARG   7   7.827 -14.344   1.337
   44   1HH1  ARG   7          1HH2      ARG   7   7.996 -11.188   2.831
   45   2HH1  ARG   7          2HH2      ARG   7   9.535 -11.476   3.584
   46   1HH2  ARG   7          1HH1      ARG   7   9.667 -14.800   2.552
   47   2HH2  ARG   7          2HH1      ARG   7  10.307 -13.560   3.603
   48    H    ALA   8           H        ALA   8  11.092 -10.464  -0.099
   49    HA   ALA   8           HA       ALA   8  10.088  -9.377   2.392
   50   1HB   ALA   8          HB1       ALA   8  12.490  -9.082   2.885
   51   2HB   ALA   8          HB2       ALA   8  12.193 -10.681   2.151
   52   3HB   ALA   8          HB3       ALA   8  12.899  -9.378   1.179
   53    H    LEU   9           H        LEU   9  11.448  -7.728  -0.572
   54    HA   LEU   9           HA       LEU   9  11.278  -5.252   0.907
   55   1HB   LEU   9          HB2       LEU   9  12.713  -4.422  -0.331
   56   2HB   LEU   9          HB3       LEU   9  12.964  -6.005  -1.012
   57    HG   LEU   9           HG       LEU   9  13.039  -4.203  -2.593
   58   1HD1  LEU   9          1HD1      LEU   9  12.528  -6.484  -3.257
   59   2HD1  LEU   9          2HD1      LEU   9  10.785  -6.139  -3.105
   60   3HD1  LEU   9          3HD1      LEU   9  11.773  -5.299  -4.331
   61   1HD2  LEU   9          1HD2      LEU   9  11.182  -2.799  -1.526
   62   2HD2  LEU   9          2HD2      LEU   9  11.260  -2.859  -3.306
   63   3HD2  LEU   9          3HD2      LEU   9  10.048  -3.803  -2.452
   64    H    LEU  10           H        LEU  10   9.175  -6.905  -1.327
   65    HA   LEU  10           HA       LEU  10   7.104  -5.004  -1.791
   66   1HB   LEU  10          HB2       LEU  10   7.279  -7.075  -3.008
   67   2HB   LEU  10          HB3       LEU  10   7.308  -8.013  -1.510
   68    HG   LEU  10           HG       LEU  10   4.942  -7.535  -1.093
   69   1HD1  LEU  10          1HD1      LEU  10   5.042  -6.319  -3.891
   70   2HD1  LEU  10          2HD1      LEU  10   3.566  -6.749  -2.993
   71   3HD1  LEU  10          3HD1      LEU  10   4.630  -5.489  -2.366
   72   1HD2  LEU  10          1HD2      LEU  10   5.798  -9.587  -2.248
   73   2HD2  LEU  10          2HD2      LEU  10   4.175  -9.146  -2.748
   74   3HD2  LEU  10          3HD2      LEU  10   5.561  -8.782  -3.816
   75    H    ASP  11           H        ASP  11   7.616  -7.404   0.849
   76    HA   ASP  11           HA       ASP  11   5.417  -6.636   2.430
   77   1HB   ASP  11          HB2       ASP  11   8.021  -8.044   3.027
   78   2HB   ASP  11          HB3       ASP  11   6.948  -7.612   4.338
   79    H    GLN  12           H        GLN  12   8.816  -5.374   2.840
   80    HA   GLN  12           HA       GLN  12   7.820  -3.463   4.770
   81   1HB   GLN  12          HB2       GLN  12   9.943  -2.399   4.737
   82   2HB   GLN  12          HB3       GLN  12  10.130  -4.160   4.694
   83   1HG   GLN  12          HG2       GLN  12  11.787  -3.476   3.320
   84   2HG   GLN  12          HG3       GLN  12  10.497  -3.973   2.228
   85   1HE2  GLN  12          2HE2      GLN  12  10.133  -2.593   0.533
   86   2HE2  GLN  12          1HE2      GLN  12  10.645  -0.889   0.550
   87    H    LEU  13           H        LEU  13   7.813  -3.332   1.236
   88    HA   LEU  13           HA       LEU  13   7.320  -0.497   1.201
   89   1HB   LEU  13          HB2       LEU  13   8.411  -1.922  -0.597
   90   2HB   LEU  13          HB3       LEU  13   6.819  -2.523  -1.026
   91    HG   LEU  13           HG       LEU  13   6.183  -0.269  -1.794
   92   1HD1  LEU  13          1HD1      LEU  13   7.942   1.569  -1.757
   93   2HD1  LEU  13          2HD1      LEU  13   7.271   1.155  -0.176
   94   3HD1  LEU  13          3HD1      LEU  13   8.885   0.572  -0.638
   95   1HD2  LEU  13          1HD2      LEU  13   7.616  -1.801  -3.249
   96   2HD2  LEU  13          2HD2      LEU  13   7.755  -0.076  -3.626
   97   3HD2  LEU  13          3HD2      LEU  13   9.032  -0.889  -2.702
   98    H    HIS  14           H        HIS  14   5.135  -3.364   1.052
   99    HA   HIS  14           HA       HIS  14   2.797  -1.598   0.887
  100   1HB   HIS  14          HB2       HIS  14   1.397  -3.419   0.962
  101   2HB   HIS  14          HB3       HIS  14   2.761  -3.920  -0.023
  102    HD2  HIS  14           HD2      HIS  14   3.575  -6.301   0.494
  103    HE1  HIS  14           HE1      HIS  14   2.264  -6.680   4.524
  104    HE2  HIS  14           HE2      HIS  14   3.527  -7.823   2.620
  105    H    THR  15           H        THR  15   4.654  -3.066   3.512
  106    HA   THR  15           HA       THR  15   3.010  -2.192   5.696
  107    HB   THR  15           HB       THR  15   6.052  -2.207   5.685
  108    HG1  THR  15           HG1      THR  15   5.316  -4.250   5.098
  109   1HG2  THR  15          1HG2      THR  15   5.731  -2.718   8.103
  110   2HG2  THR  15          2HG2      THR  15   5.055  -1.148   7.684
  111   3HG2  THR  15          3HG2      THR  15   3.973  -2.543   7.902
  112    H    LEU  16           H        LEU  16   5.797  -0.459   4.190
  113    HA   LEU  16           HA       LEU  16   5.474   2.005   5.395
  114   1HB   LEU  16          HB2       LEU  16   7.314   1.407   3.811
  115   2HB   LEU  16          HB3       LEU  16   6.165   1.254   2.517
  116    HG   LEU  16           HG       LEU  16   5.663   3.836   3.020
  117   1HD1  LEU  16          1HD1      LEU  16   7.670   5.049   3.705
  118   2HD1  LEU  16          2HD1      LEU  16   7.072   3.991   4.991
  119   3HD1  LEU  16          3HD1      LEU  16   8.507   3.511   4.050
  120   1HD2  LEU  16          1HD2      LEU  16   7.951   2.640   1.458
  121   2HD2  LEU  16          2HD2      LEU  16   6.335   3.091   0.900
  122   3HD2  LEU  16          3HD2      LEU  16   7.476   4.361   1.341
  123    H    LEU  17           H        LEU  17   3.736   0.968   2.369
  124    HA   LEU  17           HA       LEU  17   2.189   3.404   2.302
  125   1HB   LEU  17          HB3       LEU  17   1.831   0.707   0.991
  126   2HB   LEU  17          HB2       LEU  17   0.765   2.120   0.788
  127    HG   LEU  17           HG       LEU  17   3.628   2.674   0.262
  128   1HD1  LEU  17          1HD2      LEU  17   3.428   0.465  -0.851
  129   2HD1  LEU  17          2HD2      LEU  17   3.556   1.783  -2.014
  130   3HD1  LEU  17          3HD2      LEU  17   1.963   1.030  -1.695
  131   1HD2  LEU  17          1HD1      LEU  17   2.940   4.089  -1.377
  132   2HD2  LEU  17          2HD1      LEU  17   1.754   4.326  -0.079
  133   3HD2  LEU  17          3HD1      LEU  17   1.325   3.372  -1.526
  134    H    SER  18           H        SER  18   1.740   0.699   4.388
  135    HA   SER  18           HA       SER  18  -1.096   1.563   4.889
  136   1HB   SER  18          HB2       SER  18  -1.704  -0.720   5.224
  137   2HB   SER  18          HB3       SER  18  -0.989  -0.511   3.619
  138    HG   SER  18           HG       SER  18   0.888  -1.456   4.326
  139    H    ASN  19           H        ASN  19   1.717   1.804   6.224
  140    HA   ASN  19           HA       ASN  19   2.089   0.873   8.637
  141   1HB   ASN  19          HB2       ASN  19   3.516   2.837   8.917
  142   2HB   ASN  19          HB3       ASN  19   3.466   2.439   7.228
  143   1HD2  ASN  19          1HD2      ASN  19   2.955   4.144   5.804
  144   2HD2  ASN  19          2HD2      ASN  19   2.183   5.633   6.377
  145    H    THR  20           H        THR  20  -0.642   2.558   8.154
  146    HA   THR  20           HA       THR  20  -2.436   2.729   9.631
  147    HB   THR  20           HB       THR  20  -2.349   3.914  11.801
  148    HG1  THR  20           HG1      THR  20   0.381   3.401  11.521
  149   1HG2  THR  20          1HG2      THR  20  -2.623   1.500  11.702
  150   2HG2  THR  20          2HG2      THR  20  -0.865   1.273  11.605
  151   3HG2  THR  20          3HG2      THR  20  -1.597   1.951  13.073
  152    H    ASP  21           H        ASP  21  -0.171   5.217   8.551
  153    HA   ASP  21           HA       ASP  21  -1.975   7.381   8.946
  154   1HB   ASP  21          HB2       ASP  21   0.392   7.708   8.311
  155   2HB   ASP  21          HB3       ASP  21   0.039   7.070   6.699
  156    H    ALA  22           H        ALA  22  -3.227   8.454   7.613
  157    HA   ALA  22           HA       ALA  22  -4.237   7.398   5.048
  158   1HB   ALA  22          HB1       ALA  22  -6.109   8.114   7.339
  159   2HB   ALA  22          HB2       ALA  22  -6.589   7.719   5.675
  160   3HB   ALA  22          HB3       ALA  22  -5.818   6.488   6.688
  161    H    THR  23           H        THR  23  -3.076  10.035   6.816
  162    HA   THR  23           HA       THR  23  -4.781  12.125   6.364
  163    HB   THR  23           HB       THR  23  -1.722  12.260   6.379
  164    HG1  THR  23           HG1      THR  23  -2.206  11.061   8.090
  165   1HG2  THR  23          1HG2      THR  23  -2.062  14.375   7.655
  166   2HG2  THR  23          2HG2      THR  23  -2.741  14.467   6.020
  167   3HG2  THR  23          3HG2      THR  23  -3.808  14.211   7.431
  168    H    GLY  24           H        GLY  24  -2.143  11.195   4.224
  169   1HA   GLY  24          HA2       GLY  24  -3.463  12.809   2.036
  170   2HA   GLY  24          HA3       GLY  24  -1.725  12.527   2.115
  171    H    LEU  25           H        LEU  25  -2.407   9.640   3.095
  172    HA   LEU  25           HA       LEU  25  -2.461   8.299   0.560
  173   1HB   LEU  25          HB2       LEU  25  -2.836   7.480   3.443
  174   2HB   LEU  25          HB3       LEU  25  -3.117   6.325   2.145
  175    HG   LEU  25           HG       LEU  25  -0.558   7.814   1.855
  176   1HD1  LEU  25          1HD1      LEU  25   0.636   6.512   3.561
  177   2HD1  LEU  25          2HD1      LEU  25  -0.539   7.599   4.297
  178   3HD1  LEU  25          3HD1      LEU  25  -0.906   5.866   4.170
  179   1HD2  LEU  25          1HD2      LEU  25  -1.314   5.900   0.449
  180   2HD2  LEU  25          2HD2      LEU  25   0.250   5.614   1.225
  181   3HD2  LEU  25          3HD2      LEU  25  -1.224   4.846   1.876
  182    H    GLU  26           H        GLU  26  -5.073   9.480   2.625
  183    HA   GLU  26           HA       GLU  26  -7.266   8.180   1.616
  184   1HB   GLU  26          HB2       GLU  26  -8.522  10.256   2.149
  185   2HB   GLU  26          HB3       GLU  26  -7.431   9.747   3.413
  186   1HG   GLU  26          HG2       GLU  26  -6.976  11.941   3.510
  187   2HG   GLU  26          HG3       GLU  26  -5.732  11.478   2.351
  188    H    GLU  27           H        GLU  27  -5.543  10.801  -0.141
  189    HA   GLU  27           HA       GLU  27  -7.287  10.908  -2.390
  190   1HB   GLU  27          HB2       GLU  27  -5.407  12.514  -1.766
  191   2HB   GLU  27          HB3       GLU  27  -4.259  11.293  -2.275
  192   1HG   GLU  27          HG2       GLU  27  -4.462  12.819  -4.110
  193   2HG   GLU  27          HG3       GLU  27  -5.345  11.373  -4.601
  194    H    ILE  28           H        ILE  28  -4.331   9.060  -1.901
  195    HA   ILE  28           HA       ILE  28  -4.310   7.781  -4.482
  196    HB   ILE  28           HB       ILE  28  -3.028   6.624  -2.010
  197   1HG1  ILE  28          2HG1      ILE  28  -1.709   8.838  -3.645
  198   2HG1  ILE  28          3HG1      ILE  28  -2.532   9.163  -2.119
  199   1HG2  ILE  28          1HG2      ILE  28  -2.036   6.853  -4.899
  200   2HG2  ILE  28          2HG2      ILE  28  -1.397   5.787  -3.630
  201   3HG2  ILE  28          3HG2      ILE  28  -2.984   5.480  -4.336
  202   1HD1  ILE  28          1HD1      ILE  28  -0.194   8.913  -1.725
  203   2HD1  ILE  28          2HD1      ILE  28  -1.112   7.635  -0.909
  204   3HD1  ILE  28          3HD1      ILE  28  -0.222   7.252  -2.395
  205    H    ASP  29           H        ASP  29  -5.624   6.966  -1.320
  206    HA   ASP  29           HA       ASP  29  -6.549   4.326  -1.835
  207   1HB   ASP  29          HB2       ASP  29  -7.434   6.492   0.124
  208   2HB   ASP  29          HB3       ASP  29  -8.125   4.886   0.120
  209    H    ARG  30           H        ARG  30  -8.337   7.525  -1.961
  210    HA   ARG  30           HA       ARG  30 -10.698   6.309  -3.103
  211   1HB   ARG  30          HB2       ARG  30 -11.532   8.490  -3.602
  212   2HB   ARG  30          HB3       ARG  30 -10.824   8.463  -1.986
  213   1HG   ARG  30          HG2       ARG  30  -8.890   9.640  -2.721
  214   2HG   ARG  30          HG3       ARG  30  -9.397   9.624  -4.417
  215   1HD   ARG  30          HD2       ARG  30 -11.115  11.200  -4.027
  216   2HD   ARG  30          HD3       ARG  30 -11.189  10.839  -2.304
  217    HE   ARG  30           HE       ARG  30  -8.973  12.372  -3.620
  218   1HH1  ARG  30          2HH2      ARG  30 -10.553  11.448  -0.608
  219   2HH1  ARG  30          1HH2      ARG  30  -9.451  12.481   0.297
  220   1HH2  ARG  30          1HH1      ARG  30  -7.762  13.793  -2.326
  221   2HH2  ARG  30          2HH1      ARG  30  -7.797  13.455  -0.640
  222    H    ALA  31           H        ALA  31  -7.818   7.708  -4.684
  223    HA   ALA  31           HA       ALA  31  -8.724   7.508  -7.345
  224   1HB   ALA  31          HB1       ALA  31  -6.710   8.745  -6.592
  225   2HB   ALA  31          HB2       ALA  31  -5.907   7.206  -6.231
  226   3HB   ALA  31          HB3       ALA  31  -6.348   7.617  -7.910
  227    H    LEU  32           H        LEU  32  -7.761   4.902  -5.204
  228    HA   LEU  32           HA       LEU  32  -8.069   2.972  -7.463
  229   1HB   LEU  32          HB2       LEU  32  -6.600   2.566  -4.840
  230   2HB   LEU  32          HB3       LEU  32  -6.785   1.364  -6.124
  231    HG   LEU  32           HG       LEU  32  -5.245   3.989  -6.297
  232   1HD1  LEU  32          1HD1      LEU  32  -3.289   2.546  -6.297
  233   2HD1  LEU  32          2HD1      LEU  32  -4.297   2.188  -4.866
  234   3HD1  LEU  32          3HD1      LEU  32  -4.302   1.085  -6.244
  235   1HD2  LEU  32          1HD2      LEU  32  -5.618   1.753  -8.342
  236   2HD2  LEU  32          2HD2      LEU  32  -6.114   3.447  -8.516
  237   3HD2  LEU  32          3HD2      LEU  32  -4.394   3.053  -8.432
  238    H    GLY  33           H        GLY  33 -10.112   4.369  -5.587
  239   1HA   GLY  33          HA2       GLY  33 -12.205   3.830  -4.825
  240   2HA   GLY  33          HA3       GLY  33 -12.020   2.291  -5.666
  241    H    ILE  34           H        ILE  34  -9.676   2.958  -3.182
  242    HA   ILE  34           HA       ILE  34 -10.098   0.503  -1.930
  243    HB   ILE  34           HB       ILE  34  -8.562   2.884  -0.858
  244   1HG1  ILE  34          2HG1      ILE  34  -7.913   0.476  -2.634
  245   2HG1  ILE  34          3HG1      ILE  34  -7.815   2.172  -3.069
  246   1HG2  ILE  34          1HG2      ILE  34  -9.202   1.029   0.849
  247   2HG2  ILE  34          2HG2      ILE  34  -8.149  -0.009  -0.135
  248   3HG2  ILE  34          3HG2      ILE  34  -7.499   1.451   0.639
  249   1HD1  ILE  34          1HD1      ILE  34  -5.896   2.394  -1.407
  250   2HD1  ILE  34          2HD1      ILE  34  -5.976   0.633  -1.226
  251   3HD1  ILE  34          3HD1      ILE  34  -5.605   1.341  -2.809
  252    HA   PRO  35           HA       PRO  35 -12.834   2.437   1.600
  253   1HB   PRO  35          HB2       PRO  35 -13.853   4.721  -0.116
  254   2HB   PRO  35          HB3       PRO  35 -13.860   4.578   1.667
  255   1HG   PRO  35          HG2       PRO  35 -11.909   5.976   0.445
  256   2HG   PRO  35          HG3       PRO  35 -11.456   4.813   1.729
  257   1HD   PRO  35          HD2       PRO  35 -11.257   4.459  -1.265
  258   2HD   PRO  35          HD3       PRO  35 -10.131   3.951   0.049
  259    H    GLU  36           H        GLU  36 -13.659   2.243  -1.884
  260    HA   GLU  36           HA       GLU  36 -16.398   1.310  -1.301
  261   1HB   GLU  36          HB2       GLU  36 -15.325   2.574  -3.514
  262   2HB   GLU  36          HB3       GLU  36 -15.309   0.887  -4.029
  263   1HG   GLU  36          HG2       GLU  36 -17.703   2.496  -3.039
  264   2HG   GLU  36          HG3       GLU  36 -17.386   2.018  -4.689
  265    H    LEU  37           H        LEU  37 -13.237  -0.013  -2.367
  266    HA   LEU  37           HA       LEU  37 -14.027  -2.780  -2.404
  267   1HB   LEU  37          HB2       LEU  37 -11.339  -1.486  -1.824
  268   2HB   LEU  37          HB3       LEU  37 -11.580  -3.212  -2.096
  269    HG   LEU  37           HG       LEU  37 -12.179  -1.007  -4.125
  270   1HD1  LEU  37          1HD1      LEU  37  -9.877  -2.996  -3.998
  271   2HD1  LEU  37          2HD1      LEU  37 -10.183  -1.794  -5.282
  272   3HD1  LEU  37          3HD1      LEU  37  -9.766  -1.252  -3.656
  273   1HD2  LEU  37          1HD2      LEU  37 -12.172  -4.052  -4.401
  274   2HD2  LEU  37          2HD2      LEU  37 -13.586  -2.985  -4.569
  275   3HD2  LEU  37          3HD2      LEU  37 -12.276  -2.906  -5.753
  276    H    VAL  38           H        VAL  38 -13.061  -0.700   0.251
  277    HA   VAL  38           HA       VAL  38 -13.083  -2.554   2.433
  278    HB   VAL  38           HB       VAL  38 -13.561   0.412   2.143
  279   1HG1  VAL  38          1HG1      VAL  38 -13.689  -1.061   4.799
  280   2HG1  VAL  38          2HG1      VAL  38 -13.507   0.696   4.595
  281   3HG1  VAL  38          3HG1      VAL  38 -14.981  -0.095   4.058
  282   1HG2  VAL  38          1HG2      VAL  38 -11.402  -1.148   3.615
  283   2HG2  VAL  38          2HG2      VAL  38 -11.255  -0.493   1.972
  284   3HG2  VAL  38          3HG2      VAL  38 -11.479   0.612   3.328
  285    H    ASN  39           H        ASN  39 -15.774  -0.384   1.322
  286    HA   ASN  39           HA       ASN  39 -17.859  -1.608   2.779
  287   1HB   ASN  39          HB3       ASN  39 -18.113   0.548   1.681
  288   2HB   ASN  39          HB2       ASN  39 -17.785  -0.154   0.101
  289   1HD2  ASN  39          2HD2      ASN  39 -19.642  -0.279  -1.130
  290   2HD2  ASN  39          1HD2      ASN  39 -21.204  -0.697  -0.416
  291    H    GLN  40           H        GLN  40 -16.527  -2.389  -0.379
  292    HA   GLN  40           HA       GLN  40 -16.179  -4.264  -1.502
  293   1HB   GLN  40          HB2       GLN  40 -18.142  -5.448  -2.314
  294   2HB   GLN  40          HB3       GLN  40 -19.143  -4.730  -1.041
  295   1HG   GLN  40          HG2       GLN  40 -18.730  -2.471  -1.947
  296   2HG   GLN  40          HG3       GLN  40 -17.561  -3.119  -3.096
  297   1HE2  GLN  40          2HE2      GLN  40 -19.127  -1.742  -4.477
  298   2HE2  GLN  40          1HE2      GLN  40 -20.499  -2.643  -5.156
  299    H    GLY  41           H        GLY  41 -15.840  -4.522   1.500
  300   1HA   GLY  41          HA2       GLY  41 -15.234  -6.173   2.984
  301   2HA   GLY  41          HA3       GLY  41 -16.056  -7.386   1.999
  302    H    GLN  42           H        GLN  42 -13.844  -5.621   0.057
  303    HA   GLN  42           HA       GLN  42 -12.246  -8.043  -0.294
  304   1HB   GLN  42          HB2       GLN  42 -13.032  -6.811  -2.216
  305   2HB   GLN  42          HB3       GLN  42 -12.168  -5.355  -1.719
  306   1HG   GLN  42          HG2       GLN  42 -10.007  -6.383  -2.098
  307   2HG   GLN  42          HG3       GLN  42 -10.705  -7.994  -2.107
  308   1HE2  GLN  42          2HE2      GLN  42  -9.017  -6.546  -4.178
  309   2HE2  GLN  42          1HE2      GLN  42 -10.025  -6.515  -5.617
  310    H    ALA  43           H        ALA  43 -11.474  -8.018   1.861
  311    HA   ALA  43           HA       ALA  43  -9.057  -6.308   2.321
  312   1HB   ALA  43          HB1       ALA  43 -11.244  -6.945   4.313
  313   2HB   ALA  43          HB2       ALA  43  -9.802  -5.917   4.554
  314   3HB   ALA  43          HB3       ALA  43 -11.067  -5.421   3.414
  315    H    LEU  44           H        LEU  44  -9.800  -9.534   2.024
  316    HA   LEU  44           HA       LEU  44  -7.461 -10.224   3.724
  317   1HB   LEU  44          HB2       LEU  44  -8.573 -12.058   4.780
  318   2HB   LEU  44          HB3       LEU  44  -9.344 -10.532   5.200
  319    HG   LEU  44           HG       LEU  44 -10.491 -12.430   3.115
  320   1HD1  LEU  44          1HD1      LEU  44 -10.270 -13.510   5.358
  321   2HD1  LEU  44          2HD1      LEU  44 -11.143 -12.148   6.086
  322   3HD1  LEU  44          3HD1      LEU  44 -11.969 -13.226   4.935
  323   1HD2  LEU  44          1HD2      LEU  44 -12.649 -11.213   3.845
  324   2HD2  LEU  44          2HD2      LEU  44 -11.599 -10.008   4.603
  325   3HD2  LEU  44          3HD2      LEU  44 -11.548 -10.280   2.846
  326    H    GLU  45           H        GLU  45  -9.247 -10.933   0.912
  327    HA   GLU  45           HA       GLU  45  -8.086 -13.460   0.239
  328   1HB   GLU  45          HB2       GLU  45  -9.064 -11.455  -1.833
  329   2HB   GLU  45          HB3       GLU  45  -9.236 -13.186  -1.831
  330   1HG   GLU  45          HG2       GLU  45 -11.373 -12.694  -1.341
  331   2HG   GLU  45          HG3       GLU  45 -10.790 -12.660   0.329
  332    HA   PRO  46           HA       PRO  46  -4.237 -12.267  -1.886
  333   1HB   PRO  46          HB2       PRO  46  -5.333 -13.693  -4.308
  334   2HB   PRO  46          HB3       PRO  46  -3.709 -13.783  -3.581
  335   1HG   PRO  46          HG2       PRO  46  -5.536 -15.736  -3.104
  336   2HG   PRO  46          HG3       PRO  46  -4.525 -15.107  -1.753
  337   1HD   PRO  46          HD2       PRO  46  -7.379 -14.411  -2.499
  338   2HD   PRO  46          HD3       PRO  46  -6.695 -14.756  -0.889
  339    H    LYS  47           H        LYS  47  -7.250 -11.145  -3.130
  340    HA   LYS  47           HA       LYS  47  -5.920  -8.986  -4.641
  341   1HB   LYS  47          HB2       LYS  47  -7.050  -9.227  -6.583
  342   2HB   LYS  47          HB3       LYS  47  -6.850 -10.908  -6.194
  343   1HG   LYS  47          HG2       LYS  47  -9.375  -9.240  -5.767
  344   2HG   LYS  47          HG3       LYS  47  -9.104 -10.335  -7.111
  345   1HD   LYS  47          HD2       LYS  47  -9.424 -12.259  -5.865
  346   2HD   LYS  47          HD3       LYS  47  -8.957 -11.510  -4.348
  347   1HE   LYS  47          HE2       LYS  47 -11.558 -10.934  -5.848
  348   2HE   LYS  47          HE3       LYS  47 -11.381 -12.023  -4.470
  349   1HZ   LYS  47          HZ1       LYS  47 -11.632  -9.202  -4.396
  350   2HZ   LYS  47          HZ2       LYS  47 -11.621 -10.244  -3.131
  351   3HZ   LYS  47          HZ3       LYS  47 -10.243  -9.675  -3.679
  352    HT1  PRO  48           H2       PRO  48  15.172  -6.434 -13.192
  353    HT2  PRO  48           H3       PRO  48  14.567  -5.517 -14.418
  354    HA   PRO  48           HA       PRO  48  13.442  -6.092 -11.792
  355   1HB   PRO  48          HB3       PRO  48  11.939  -4.052 -13.318
  356   2HB   PRO  48          HB2       PRO  48  12.377  -4.174 -11.602
  357   1HG   PRO  48          HG2       PRO  48  13.931  -2.871 -13.838
  358   2HG   PRO  48          HG3       PRO  48  14.125  -2.660 -12.072
  359   1HD   PRO  48          HD2       PRO  48  15.984  -3.898 -13.440
  360   2HD   PRO  48          HD3       PRO  48  15.472  -4.526 -11.840
  361    H    ASN  49           H        ASN  49  12.989  -8.205 -12.454
  362    HA   ASN  49           HA       ASN  49  10.621  -8.496 -14.204
  363   1HB   ASN  49          HB2       ASN  49  12.642  -8.911 -15.642
  364   2HB   ASN  49          HB3       ASN  49  13.163 -10.182 -14.536
  365   1HD2  ASN  49          2HD2      ASN  49  11.206  -9.401 -17.265
  366   2HD2  ASN  49          1HD2      ASN  49  10.468 -11.009 -17.409
  367    H    ARG  50           H        ARG  50  12.910 -10.385 -12.141
  368    HA   ARG  50           HA       ARG  50  10.683 -12.029 -11.075
  369   1HB   ARG  50          HB2       ARG  50  13.700 -12.039 -10.547
  370   2HB   ARG  50          HB3       ARG  50  12.534 -13.094  -9.735
  371   1HG   ARG  50          HG2       ARG  50  13.275 -13.117 -12.682
  372   2HG   ARG  50          HG3       ARG  50  13.646 -14.321 -11.465
  373   1HD   ARG  50          HD2       ARG  50  11.854 -15.350 -12.496
  374   2HD   ARG  50          HD3       ARG  50  11.082 -14.549 -11.146
  375    HE   ARG  50           HE       ARG  50  11.214 -13.210 -13.850
  376   1HH1  ARG  50          1HH2      ARG  50   8.978 -14.245 -11.222
  377   2HH1  ARG  50          2HH2      ARG  50   7.663 -13.653 -12.187
  378   1HH2  ARG  50          1HH1      ARG  50   9.594 -12.361 -14.682
  379   2HH2  ARG  50          2HH1      ARG  50   7.969 -12.478 -14.040
  380    H    SER  51           H        SER  51  12.757  -9.341 -10.352
  381    HA   SER  51           HA       SER  51  11.007  -8.771  -8.019
  382   1HB   SER  51          HB2       SER  51  13.807  -7.631  -8.402
  383   2HB   SER  51          HB3       SER  51  12.804  -7.574  -6.941
  384    HG   SER  51           HG       SER  51  14.273  -9.203  -6.651
  385    H    ILE  52           H        ILE  52   9.523  -7.409  -8.652
  386    HA   ILE  52           HA       ILE  52  10.046  -5.492 -10.832
  387    HB   ILE  52           HB       ILE  52   7.283  -5.413  -9.849
  388   1HG1  ILE  52          2HG1      ILE  52   6.690  -7.574 -11.181
  389   2HG1  ILE  52          3HG1      ILE  52   8.309  -8.118 -10.756
  390   1HG2  ILE  52          1HG2      ILE  52   8.199  -4.384 -11.892
  391   2HG2  ILE  52          2HG2      ILE  52   8.479  -5.994 -12.574
  392   3HG2  ILE  52          3HG2      ILE  52   6.822  -5.418 -12.211
  393   1HD1  ILE  52          1HD1      ILE  52   6.783  -8.959  -9.087
  394   2HD1  ILE  52          2HD1      ILE  52   7.625  -7.622  -8.290
  395   3HD1  ILE  52          3HD1      ILE  52   5.982  -7.387  -8.925
  396    H    SER  53           H        SER  53  10.209  -5.428  -7.424
  397    HA   SER  53           HA       SER  53   9.836  -2.479  -7.503
  398   1HB   SER  53          HB2       SER  53   9.556  -2.563  -5.053
  399   2HB   SER  53          HB3       SER  53   8.238  -3.185  -5.994
  400    HG   SER  53           HG       SER  53   8.975  -5.331  -5.385
  401    HA   PRO  54           HA       PRO  54  14.217  -3.275  -5.677
  402   1HB   PRO  54          HB2       PRO  54  16.009  -3.694  -7.688
  403   2HB   PRO  54          HB3       PRO  54  15.152  -5.025  -6.853
  404   1HG   PRO  54          HG2       PRO  54  14.376  -3.671  -9.463
  405   2HG   PRO  54          HG3       PRO  54  14.555  -5.434  -9.147
  406   1HD   PRO  54          HD2       PRO  54  12.160  -4.193  -9.054
  407   2HD   PRO  54          HD3       PRO  54  12.565  -5.489  -7.876
  408    H    SER  55           H        SER  55  12.948  -1.601  -8.464
  409    HA   SER  55           HA       SER  55  14.707   0.755  -8.178
  410   1HB   SER  55          HB2       SER  55  13.118   1.655  -9.944
  411   2HB   SER  55          HB3       SER  55  13.948   0.160 -10.421
  412    HG   SER  55           HG       SER  55  11.634   0.217 -10.834
  413    H    ALA  56           H        ALA  56  11.249   0.033  -7.858
  414    HA   ALA  56           HA       ALA  56  10.357   2.281  -6.481
  415   1HB   ALA  56          HB1       ALA  56   8.930   0.526  -7.440
  416   2HB   ALA  56          HB2       ALA  56   9.432  -0.603  -6.162
  417   3HB   ALA  56          HB3       ALA  56   8.486   0.845  -5.754
  418    H    LEU  57           H        LEU  57  12.192  -0.415  -5.164
  419    HA   LEU  57           HA       LEU  57  12.116   0.036  -2.449
  420   1HB   LEU  57          HB2       LEU  57  13.256  -1.822  -3.653
  421   2HB   LEU  57          HB3       LEU  57  14.400  -0.673  -4.355
  422    HG   LEU  57           HG       LEU  57  15.496  -0.334  -2.229
  423   1HD1  LEU  57          1HD1      LEU  57  13.608  -0.669  -0.666
  424   2HD1  LEU  57          2HD1      LEU  57  13.532  -2.390  -1.142
  425   3HD1  LEU  57          3HD1      LEU  57  14.935  -1.737  -0.273
  426   1HD2  LEU  57          1HD2      LEU  57  15.079  -3.243  -3.030
  427   2HD2  LEU  57          2HD2      LEU  57  16.230  -2.093  -3.726
  428   3HD2  LEU  57          3HD2      LEU  57  16.434  -2.627  -2.044
  429    H    GLN  58           H        GLN  58  13.802   1.978  -4.897
  430    HA   GLN  58           HA       GLN  58  14.853   3.825  -2.794
  431   1HB   GLN  58          HB2       GLN  58  15.143   3.839  -5.831
  432   2HB   GLN  58          HB3       GLN  58  15.740   5.089  -4.741
  433   1HG   GLN  58          HG2       GLN  58  17.610   3.697  -5.256
  434   2HG   GLN  58          HG3       GLN  58  17.170   3.420  -3.569
  435   1HE2  GLN  58          2HE2      GLN  58  15.752   2.064  -6.620
  436   2HE2  GLN  58          1HE2      GLN  58  16.093   0.396  -6.126
  437    H    ASP  59           H        ASP  59  12.868   3.871  -5.746
  438    HA   ASP  59           HA       ASP  59  11.932   6.500  -5.374
  439   1HB   ASP  59          HB2       ASP  59  11.184   4.212  -7.244
  440   2HB   ASP  59          HB3       ASP  59  10.275   5.718  -7.237
  441    H    LEU  60           H        LEU  60  10.007   3.501  -4.784
  442    HA   LEU  60           HA       LEU  60   7.658   5.157  -4.227
  443   1HB   LEU  60          HB2       LEU  60   7.578   2.959  -5.357
  444   2HB   LEU  60          HB3       LEU  60   8.111   2.188  -3.875
  445    HG   LEU  60           HG       LEU  60   6.048   2.462  -2.816
  446   1HD1  LEU  60          1HD1      LEU  60   5.625   4.864  -3.116
  447   2HD1  LEU  60          2HD1      LEU  60   5.236   4.611  -4.833
  448   3HD1  LEU  60          3HD1      LEU  60   4.223   3.900  -3.552
  449   1HD2  LEU  60          1HD2      LEU  60   5.439   2.250  -5.798
  450   2HD2  LEU  60          2HD2      LEU  60   5.902   0.917  -4.714
  451   3HD2  LEU  60          3HD2      LEU  60   4.346   1.766  -4.504
  452    H    LEU  61           H        LEU  61  10.194   3.420  -2.545
  453    HA   LEU  61           HA       LEU  61   9.349   3.839   0.135
  454   1HB   LEU  61          HB2       LEU  61  11.235   2.342  -0.667
  455   2HB   LEU  61          HB3       LEU  61  12.210   3.798  -0.876
  456    HG   LEU  61           HG       LEU  61  12.000   4.288   1.560
  457   1HD1  LEU  61          1HD1      LEU  61  11.242   2.330   3.034
  458   2HD1  LEU  61          2HD1      LEU  61   9.951   3.203   2.222
  459   3HD1  LEU  61          3HD1      LEU  61  10.502   1.616   1.609
  460   1HD2  LEU  61          1HD2      LEU  61  13.496   2.519   2.342
  461   2HD2  LEU  61          2HD2      LEU  61  13.050   1.493   0.963
  462   3HD2  LEU  61          3HD2      LEU  61  13.925   3.009   0.696
  463    H    ARG  62           H        ARG  62  11.610   6.018  -1.833
  464    HA   ARG  62           HA       ARG  62  11.553   7.991   0.232
  465   1HB   ARG  62          HB2       ARG  62  12.646   9.483  -1.131
  466   2HB   ARG  62          HB3       ARG  62  13.314   7.891  -1.485
  467   1HG   ARG  62          HG2       ARG  62  12.058   7.829  -3.597
  468   2HG   ARG  62          HG3       ARG  62  11.276   9.370  -3.223
  469   1HD   ARG  62          HD2       ARG  62  13.483  10.509  -3.259
  470   2HD   ARG  62          HD3       ARG  62  14.265   8.975  -3.615
  471    HE   ARG  62           HE       ARG  62  12.497  10.586  -5.397
  472   1HH1  ARG  62          1HH1      ARG  62  14.407   7.661  -5.118
  473   2HH1  ARG  62          2HH1      ARG  62  13.926   7.090  -6.704
  474   1HH2  ARG  62          1HH2      ARG  62  12.018   9.888  -7.480
  475   2HH2  ARG  62          2HH2      ARG  62  12.510   8.291  -7.937
  476    H    THR  63           H        THR  63   9.440   7.534  -2.543
  477    HA   THR  63           HA       THR  63   7.918   9.894  -2.430
  478    HB   THR  63           HB       THR  63   7.665   7.116  -3.518
  479    HG1  THR  63           HG1      THR  63   7.178   9.691  -4.622
  480   1HG2  THR  63          1HG2      THR  63   5.253   8.719  -4.154
  481   2HG2  THR  63          2HG2      THR  63   5.691   7.056  -4.454
  482   3HG2  THR  63          3HG2      THR  63   5.285   7.531  -2.803
  483    H    LEU  64           H        LEU  64   7.692   7.193  -0.264
  484    HA   LEU  64           HA       LEU  64   5.474   8.675   1.066
  485   1HB   LEU  64          HB2       LEU  64   5.462   5.984   0.218
  486   2HB   LEU  64          HB3       LEU  64   5.824   5.910   1.936
  487    HG   LEU  64           HG       LEU  64   3.804   7.611   2.203
  488   1HD1  LEU  64          1HD1      LEU  64   2.054   7.268   0.481
  489   2HD1  LEU  64          2HD1      LEU  64   3.502   7.968  -0.281
  490   3HD1  LEU  64          3HD1      LEU  64   3.144   6.239  -0.459
  491   1HD2  LEU  64          1HD2      LEU  64   3.623   4.683   1.501
  492   2HD2  LEU  64          2HD2      LEU  64   3.809   5.411   3.116
  493   3HD2  LEU  64          3HD2      LEU  64   2.280   5.604   2.242
  494    H    LYS  65           H        LYS  65   8.745   7.446   1.547
  495    HA   LYS  65           HA       LYS  65   8.797   7.902   4.349
  496   1HB   LYS  65          HB2       LYS  65  10.874   7.847   2.176
  497   2HB   LYS  65          HB3       LYS  65  11.346   8.576   3.694
  498   1HG   LYS  65          HG2       LYS  65   9.905   5.924   3.803
  499   2HG   LYS  65          HG3       LYS  65  11.563   5.974   3.225
  500   1HD   LYS  65          HD2       LYS  65  11.535   5.472   5.569
  501   2HD   LYS  65          HD3       LYS  65  12.327   7.014   5.347
  502   1HE   LYS  65          HE2       LYS  65   9.389   6.800   6.121
  503   2HE   LYS  65          HE3       LYS  65  10.679   6.667   7.309
  504   1HZ   LYS  65          HZ1       LYS  65  10.135   9.069   5.673
  505   2HZ   LYS  65          HZ2       LYS  65   9.994   8.914   7.278
  506   3HZ   LYS  65          HZ3       LYS  65  11.473   8.876   6.584
  507    H    SER  66           H        SER  66   8.773  10.053   1.612
  508    HA   SER  66           HA       SER  66   9.060  12.518   3.217
  509   1HB   SER  66          HB2       SER  66   8.291  13.539   0.977
  510   2HB   SER  66          HB3       SER  66   9.885  12.786   1.003
  511    HG   SER  66           HG       SER  66   9.013  10.981  -0.037
  512    HA   PRO  67           HA       PRO  67   5.072  11.589   4.584
  513   1HB   PRO  67          HB2       PRO  67   4.251  13.845   5.901
  514   2HB   PRO  67          HB3       PRO  67   5.682  12.893   6.423
  515   1HG   PRO  67          HG2       PRO  67   5.625  15.392   4.691
  516   2HG   PRO  67          HG3       PRO  67   6.638  15.063   6.129
  517   1HD   PRO  67          HD2       PRO  67   7.444  14.678   3.535
  518   2HD   PRO  67          HD3       PRO  67   8.081  13.673   4.906
  519    H    SER  68           H        SER  68   2.955  11.623   4.420
  520    HA   SER  68           HA       SER  68   1.873  11.748   2.041
  521   1HB   SER  68          HB2       SER  68   0.215  12.133   4.543
  522   2HB   SER  68          HB3       SER  68  -0.161  11.178   3.091
  523    HG   SER  68           HG       SER  68   0.575  10.000   5.001
  524    H    SER  69           H        SER  69   2.132  14.594   3.976
  525    HA   SER  69           HA       SER  69  -0.168  16.060   3.341
  526   1HB   SER  69          HB2       SER  69   1.214  16.829   5.068
  527   2HB   SER  69          HB3       SER  69   2.635  16.954   4.020
  528    HG   SER  69           HG       SER  69   1.535  18.969   4.446
  529    HA   PRO  70           HA       PRO  70   1.203  17.598  -0.859
  530   1HB   PRO  70          HB2       PRO  70   3.751  17.618  -1.773
  531   2HB   PRO  70          HB3       PRO  70   3.133  18.880  -0.655
  532   1HG   PRO  70          HG2       PRO  70   4.757  16.411   0.032
  533   2HG   PRO  70          HG3       PRO  70   5.049  18.090   0.560
  534   1HD   PRO  70          HD2       PRO  70   3.677  16.306   2.134
  535   2HD   PRO  70          HD3       PRO  70   3.281  18.051   2.085
  536    H    GLN  71           H        GLN  71   2.967  14.773   0.351
  537    HA   GLN  71           HA       GLN  71   3.299  13.491  -2.173
  538   1HB   GLN  71          HB2       GLN  71   3.577  12.426   0.671
  539   2HB   GLN  71          HB3       GLN  71   4.026  11.524  -0.760
  540   1HG   GLN  71          HG2       GLN  71   5.191  14.218   0.066
  541   2HG   GLN  71          HG3       GLN  71   5.971  12.652   0.235
  542   1HE2  GLN  71          2HE2      GLN  71   7.393  12.108  -1.396
  543   2HE2  GLN  71          1HE2      GLN  71   7.198  12.632  -3.084
  544    H    GLN  72           H        GLN  72   0.451  13.733  -0.453
  545    HA   GLN  72           HA       GLN  72  -1.055  11.512  -1.124
  546   1HB   GLN  72          HB2       GLN  72  -2.940  12.975  -1.043
  547   2HB   GLN  72          HB3       GLN  72  -1.778  13.535   0.140
  548   1HG   GLN  72          HG2       GLN  72  -2.267  15.565  -0.652
  549   2HG   GLN  72          HG3       GLN  72  -1.101  15.198  -1.908
  550   1HE2  GLN  72          2HE2      GLN  72  -4.642  14.704  -1.171
  551   2HE2  GLN  72          1HE2      GLN  72  -5.152  14.876  -2.813
  552    H    GLN  73           H        GLN  73   0.380  13.774  -3.320
  553    HA   GLN  73           HA       GLN  73  -1.396  13.499  -5.488
  554   1HB   GLN  73          HB2       GLN  73   1.357  14.621  -5.004
  555   2HB   GLN  73          HB3       GLN  73   1.026  14.219  -6.672
  556   1HG   GLN  73          HG2       GLN  73  -0.629  16.070  -4.927
  557   2HG   GLN  73          HG3       GLN  73   0.412  16.529  -6.283
  558   1HE2  GLN  73          2HE2      GLN  73  -2.783  15.721  -5.415
  559   2HE2  GLN  73          1HE2      GLN  73  -3.398  15.499  -7.056
  560    H    GLN  74           H        GLN  74  -0.712  12.988  -7.641
  561    HA   GLN  74           HA       GLN  74  -0.903  10.322  -8.274
  562   1HB   GLN  74          HB2       GLN  74   0.454  12.554  -9.817
  563   2HB   GLN  74          HB3       GLN  74  -0.063  11.025 -10.537
  564   1HG   GLN  74          HG2       GLN  74  -2.347  11.515 -10.347
  565   2HG   GLN  74          HG3       GLN  74  -2.105  12.774  -9.134
  566   1HE2  GLN  74          2HE2      GLN  74  -1.339  14.914  -9.777
  567   2HE2  GLN  74          1HE2      GLN  74  -1.450  15.328 -11.499
  568    H    GLN  75           H        GLN  75   2.098  11.917  -7.365
  569    HA   GLN  75           HA       GLN  75   3.942  10.268  -8.698
  570   1HB   GLN  75          HB2       GLN  75   5.573  10.967  -7.002
  571   2HB   GLN  75          HB3       GLN  75   4.624  12.312  -7.596
  572   1HG   GLN  75          HG2       GLN  75   4.312  12.904  -5.478
  573   2HG   GLN  75          HG3       GLN  75   3.162  11.570  -5.335
  574   1HE2  GLN  75          1HE2      GLN  75   3.449  11.102  -3.126
  575   2HE2  GLN  75          2HE2      GLN  75   5.003  10.554  -2.539
  576    H    VAL  76           H        VAL  76   2.137   9.473  -5.688
  577    HA   VAL  76           HA       VAL  76   3.794   7.106  -5.261
  578    HB   VAL  76           HB       VAL  76   0.915   7.218  -4.352
  579   1HG1  VAL  76          1HG1      VAL  76   3.433   6.133  -3.024
  580   2HG1  VAL  76          2HG1      VAL  76   1.740   5.786  -2.598
  581   3HG1  VAL  76          3HG1      VAL  76   2.416   5.152  -4.098
  582   1HG2  VAL  76          1HG2      VAL  76   3.262   8.639  -3.077
  583   2HG2  VAL  76          2HG2      VAL  76   1.621   9.268  -3.475
  584   3HG2  VAL  76          3HG2      VAL  76   1.870   8.078  -2.157
  585    H    LEU  77           H        LEU  77   0.646   7.753  -6.721
  586    HA   LEU  77           HA       LEU  77   0.076   5.112  -7.328
  587   1HB   LEU  77          HB2       LEU  77  -1.364   7.298  -7.337
  588   2HB   LEU  77          HB3       LEU  77  -1.061   7.295  -9.064
  589    HG   LEU  77           HG       LEU  77  -2.223   4.953  -7.444
  590   1HD1  LEU  77          1HD1      LEU  77  -3.664   6.980  -9.201
  591   2HD1  LEU  77          2HD1      LEU  77  -4.394   5.587  -8.365
  592   3HD1  LEU  77          3HD1      LEU  77  -3.702   6.910  -7.418
  593   1HD2  LEU  77          1HD2      LEU  77  -1.312   4.025  -9.433
  594   2HD2  LEU  77          2HD2      LEU  77  -3.028   4.219  -9.768
  595   3HD2  LEU  77          3HD2      LEU  77  -1.876   5.398 -10.431
  596    H    ASN  78           H        ASN  78   1.736   7.586  -9.185
  597    HA   ASN  78           HA       ASN  78   2.161   6.268 -11.628
  598   1HB   ASN  78          HB2       ASN  78   2.429   8.728 -11.179
  599   2HB   ASN  78          HB3       ASN  78   3.924   8.366 -10.301
  600   1HD2  ASN  78          2HD2      ASN  78   5.514   9.265 -11.721
  601   2HD2  ASN  78          1HD2      ASN  78   5.553   8.791 -13.424
  602    H    ILE  79           H        ILE  79   4.008   5.943  -8.585
  603    HA   ILE  79           HA       ILE  79   5.979   4.215  -9.976
  604    HB   ILE  79           HB       ILE  79   5.868   4.948  -7.048
  605   1HG1  ILE  79          2HG1      ILE  79   7.942   6.029  -8.975
  606   2HG1  ILE  79          3HG1      ILE  79   6.386   6.843  -8.918
  607   1HG2  ILE  79          1HG2      ILE  79   8.256   4.146  -7.129
  608   2HG2  ILE  79          2HG2      ILE  79   7.123   2.843  -7.563
  609   3HG2  ILE  79          3HG2      ILE  79   8.031   3.690  -8.814
  610   1HD1  ILE  79          1HD1      ILE  79   6.579   7.283  -6.552
  611   2HD1  ILE  79          2HD1      ILE  79   8.151   6.458  -6.487
  612   3HD1  ILE  79          3HD1      ILE  79   7.957   7.954  -7.425
  613    H    LEU  80           H        LEU  80   3.388   3.993  -7.543
  614    HA   LEU  80           HA       LEU  80   3.209   1.356  -6.840
  615   1HB   LEU  80          HB2       LEU  80   1.255   3.530  -7.457
  616   2HB   LEU  80          HB3       LEU  80   0.574   1.933  -7.286
  617    HG   LEU  80           HG       LEU  80   2.319   3.088  -5.093
  618   1HD1  LEU  80          1HD1      LEU  80  -0.709   3.390  -5.462
  619   2HD1  LEU  80          2HD1      LEU  80   0.169   3.663  -3.933
  620   3HD1  LEU  80          3HD1      LEU  80   0.479   4.714  -5.303
  621   1HD2  LEU  80          1HD2      LEU  80  -0.024   1.145  -5.144
  622   2HD2  LEU  80          2HD2      LEU  80   1.669   0.628  -5.207
  623   3HD2  LEU  80          3HD2      LEU  80   1.047   1.500  -3.760
  624    H    LYS  81           H        LYS  81   1.577   2.651  -9.795
  625    HA   LYS  81           HA       LYS  81   0.601   0.072 -10.463
  626   1HB   LYS  81          HB2       LYS  81  -0.560   0.973 -12.136
  627   2HB   LYS  81          HB3       LYS  81  -0.255   2.415 -11.183
  628   1HG   LYS  81          HG2       LYS  81   1.177   1.540 -13.732
  629   2HG   LYS  81          HG3       LYS  81  -0.060   2.769 -13.626
  630   1HD   LYS  81          HD2       LYS  81   1.391   4.205 -12.260
  631   2HD   LYS  81          HD3       LYS  81   2.675   2.973 -12.296
  632   1HE   LYS  81          HE2       LYS  81   2.704   3.035 -14.760
  633   2HE   LYS  81          HE3       LYS  81   1.491   4.313 -14.762
  634   1HZ   LYS  81          HZ1       LYS  81   3.988   4.692 -13.273
  635   2HZ   LYS  81          HZ2       LYS  81   3.984   4.937 -14.914
  636   3HZ   LYS  81          HZ3       LYS  81   3.077   5.827 -13.895
  637    H    SER  82           H        SER  82   3.755   1.027 -10.810
  638    HA   SER  82           HA       SER  82   4.395  -0.548 -13.215
  639   1HB   SER  82          HB2       SER  82   6.640   0.174 -12.915
  640   2HB   SER  82          HB3       SER  82   5.620   1.584 -12.595
  641    HG   SER  82           HG       SER  82   5.938   1.206 -10.353
  642    H    ASN  83           H        ASN  83   4.150  -1.212  -9.814
  643    HA   ASN  83           HA       ASN  83   5.316  -3.924 -10.362
  644   1HB   ASN  83          HB2       ASN  83   6.643  -2.810  -8.694
  645   2HB   ASN  83          HB3       ASN  83   5.213  -2.511  -7.709
  646   1HD2  ASN  83          2HD2      ASN  83   7.763  -4.230  -7.572
  647   2HD2  ASN  83          1HD2      ASN  83   7.224  -5.714  -6.846
  648    HA   PRO  84           HA       PRO  84   0.835  -4.423 -10.323
  649   1HB   PRO  84          HB2       PRO  84   1.459  -7.304 -10.844
  650   2HB   PRO  84          HB3       PRO  84   0.444  -6.160 -11.784
  651   1HG   PRO  84          HG2       PRO  84   2.934  -6.933 -12.656
  652   2HG   PRO  84          HG3       PRO  84   2.304  -5.268 -12.914
  653   1HD   PRO  84          HD2       PRO  84   4.201  -6.259 -10.797
  654   2HD   PRO  84          HD3       PRO  84   4.287  -4.803 -11.834
  655    H    GLN  85           H        GLN  85   3.033  -6.698  -8.680
  656    HA   GLN  85           HA       GLN  85   1.010  -7.731  -6.902
  657   1HB   GLN  85          HB2       GLN  85   2.929  -9.095  -7.585
  658   2HB   GLN  85          HB3       GLN  85   4.041  -7.962  -6.839
  659   1HG   GLN  85          HG2       GLN  85   3.725  -9.900  -5.383
  660   2HG   GLN  85          HG3       GLN  85   3.092  -8.451  -4.607
  661   1HE2  GLN  85          2HE2      GLN  85   0.671  -8.193  -4.503
  662   2HE2  GLN  85          1HE2      GLN  85  -0.258  -9.721  -4.559
  663    H    LEU  86           H        LEU  86   3.610  -5.272  -6.502
  664    HA   LEU  86           HA       LEU  86   2.990  -4.600  -3.778
  665   1HB   LEU  86          HB2       LEU  86   5.072  -3.885  -5.006
  666   2HB   LEU  86          HB3       LEU  86   4.085  -2.755  -5.916
  667    HG   LEU  86           HG       LEU  86   5.476  -1.884  -3.962
  668   1HD1  LEU  86          1HD1      LEU  86   2.567  -1.075  -3.880
  669   2HD1  LEU  86          2HD1      LEU  86   3.987  -0.138  -3.415
  670   3HD1  LEU  86          3HD1      LEU  86   3.738  -0.559  -5.126
  671   1HD2  LEU  86          1HD2      LEU  86   4.372  -1.726  -1.753
  672   2HD2  LEU  86          2HD2      LEU  86   3.159  -2.885  -2.267
  673   3HD2  LEU  86          3HD2      LEU  86   4.885  -3.372  -2.139
  674    H    MET  87           H        MET  87   1.710  -3.329  -6.940
  675    HA   MET  87           HA       MET  87  -0.024  -1.460  -5.767
  676   1HB   MET  87          HB2       MET  87   0.621  -1.838  -8.286
  677   2HB   MET  87          HB3       MET  87  -0.796  -2.904  -8.315
  678   1HG   MET  87          HG2       MET  87  -2.021  -0.917  -7.168
  679   2HG   MET  87          HG3       MET  87  -0.604   0.042  -7.616
  680   1HE   MET  87          HE1       MET  87  -3.435   0.782  -8.200
  681   2HE   MET  87          HE2       MET  87  -2.026   1.722  -8.769
  682   3HE   MET  87          HE3       MET  87  -3.362   1.344  -9.891
  683    H    ALA  88           H        ALA  88  -0.738  -4.888  -6.631
  684    HA   ALA  88           HA       ALA  88  -3.385  -4.900  -5.506
  685   1HB   ALA  88          HB1       ALA  88  -1.366  -7.162  -5.878
  686   2HB   ALA  88          HB2       ALA  88  -3.095  -7.359  -5.513
  687   3HB   ALA  88          HB3       ALA  88  -2.591  -6.623  -7.052
  688    H    ALA  89           H        ALA  89  -0.188  -5.643  -4.005
  689    HA   ALA  89           HA       ALA  89  -1.239  -6.294  -1.434
  690   1HB   ALA  89          HB1       ALA  89   1.054  -6.880  -2.194
  691   2HB   ALA  89          HB2       ALA  89   1.493  -5.161  -2.151
  692   3HB   ALA  89          HB3       ALA  89   1.038  -6.013  -0.648
  693    H    PHE  90           H        PHE  90  -0.297  -3.132  -2.836
  694    HA   PHE  90           HA       PHE  90  -0.723  -1.505  -0.556
  695   1HB   PHE  90          HB2       PHE  90   0.319  -0.624  -2.546
  696   2HB   PHE  90          HB3       PHE  90  -1.093  -0.960  -3.524
  697    HD1  PHE  90           HD1      PHE  90  -0.298   0.813  -0.328
  698    HD2  PHE  90           HD2      PHE  90  -2.447   0.993  -4.049
  699    HE1  PHE  90           HE1      PHE  90  -0.858   3.236   0.091
  700    HE2  PHE  90           HE2      PHE  90  -2.998   3.369  -3.593
  701    HZ   PHE  90           HZ       PHE  90  -2.040   4.496  -1.544
  702    H    ILE  91           H        ILE  91  -2.988  -2.213  -3.282
  703    HA   ILE  91           HA       ILE  91  -5.357  -1.152  -2.191
  704    HB   ILE  91           HB       ILE  91  -4.880  -3.473  -4.086
  705   1HG1  ILE  91          2HG1      ILE  91  -5.948  -0.648  -4.574
  706   2HG1  ILE  91          3HG1      ILE  91  -4.255  -1.070  -4.736
  707   1HG2  ILE  91          1HG2      ILE  91  -7.546  -2.209  -3.320
  708   2HG2  ILE  91          2HG2      ILE  91  -7.302  -3.354  -4.675
  709   3HG2  ILE  91          3HG2      ILE  91  -7.069  -3.884  -3.026
  710   1HD1  ILE  91          1HD1      ILE  91  -5.247  -1.035  -6.919
  711   2HD1  ILE  91          2HD1      ILE  91  -4.821  -2.707  -6.516
  712   3HD1  ILE  91          3HD1      ILE  91  -6.517  -2.168  -6.420
  713    H    LYS  92           H        LYS  92  -4.263  -4.552  -1.835
  714    HA   LYS  92           HA       LYS  92  -6.331  -5.206  -0.018
  715   1HB   LYS  92          HB2       LYS  92  -5.037  -6.821  -1.398
  716   2HB   LYS  92          HB3       LYS  92  -3.601  -6.506  -0.436
  717   1HG   LYS  92          HG2       LYS  92  -4.823  -8.607   0.179
  718   2HG   LYS  92          HG3       LYS  92  -4.560  -7.489   1.517
  719   1HD   LYS  92          HD2       LYS  92  -6.799  -8.589   1.522
  720   2HD   LYS  92          HD3       LYS  92  -6.826  -6.839   1.624
  721   1HE   LYS  92          HE2       LYS  92  -8.366  -6.840   0.024
  722   2HE   LYS  92          HE3       LYS  92  -7.049  -7.177  -1.090
  723   1HZ   LYS  92          HZ1       LYS  92  -8.504  -8.857  -1.536
  724   2HZ   LYS  92          HZ2       LYS  92  -7.531  -9.598  -0.491
  725   3HZ   LYS  92          HZ3       LYS  92  -9.025  -9.085  -0.023
  726    H    GLN  93           H        GLN  93  -2.870  -4.360   0.846
  727    HA   GLN  93           HA       GLN  93  -3.521  -4.750   3.596
  728   1HB   GLN  93          HB2       GLN  93  -1.135  -4.507   2.337
  729   2HB   GLN  93          HB3       GLN  93  -1.269  -2.892   3.024
  730   1HG   GLN  93          HG2       GLN  93  -1.070  -5.607   4.350
  731   2HG   GLN  93          HG3       GLN  93  -0.057  -4.195   4.589
  732   1HE2  GLN  93          2HE2      GLN  93  -0.966  -2.409   6.003
  733   2HE2  GLN  93          1HE2      GLN  93  -2.295  -2.787   7.103
  734    H    ARG  94           H        ARG  94  -3.779  -1.883   1.443
  735    HA   ARG  94           HA       ARG  94  -4.397   0.049   3.505
  736   1HB   ARG  94          HB2       ARG  94  -5.200  -0.080   0.596
  737   2HB   ARG  94          HB3       ARG  94  -5.559   1.268   1.681
  738   1HG   ARG  94          HG2       ARG  94  -2.761   0.399   0.870
  739   2HG   ARG  94          HG3       ARG  94  -3.674   1.750   0.197
  740   1HD   ARG  94          HD2       ARG  94  -2.677   1.437   3.054
  741   2HD   ARG  94          HD3       ARG  94  -1.964   2.430   1.775
  742    HE   ARG  94           HE       ARG  94  -4.485   3.437   1.909
  743   1HH1  ARG  94          1HH2      ARG  94  -1.696   3.355   3.996
  744   2HH1  ARG  94          2HH2      ARG  94  -2.433   4.403   5.202
  745   1HH2  ARG  94          1HH1      ARG  94  -5.150   5.083   3.344
  746   2HH2  ARG  94          2HH1      ARG  94  -4.221   5.363   4.831
  747    H    THR  95           H        THR  95  -6.574  -2.085   1.426
  748    HA   THR  95           HA       THR  95  -8.944  -1.205   2.776
  749    HB   THR  95           HB       THR  95 -10.028  -3.243   2.085
  750    HG1  THR  95           HG1      THR  95  -9.053  -4.704   0.844
  751   1HG2  THR  95          1HG2      THR  95  -9.972  -1.375   0.535
  752   2HG2  THR  95          2HG2      THR  95  -8.606  -2.184  -0.331
  753   3HG2  THR  95          3HG2      THR  95 -10.187  -2.972  -0.186
  754    H    ALA  96           H        ALA  96  -6.752  -3.962   3.525
  755    HA   ALA  96           HA       ALA  96  -8.022  -4.891   5.842
  756   1HB   ALA  96          HB1       ALA  96  -5.076  -4.774   5.179
  757   2HB   ALA  96          HB2       ALA  96  -5.827  -5.784   6.442
  758   3HB   ALA  96          HB3       ALA  96  -6.206  -6.056   4.725
  759    H    LYS  97           H        LYS  97  -5.427  -2.396   5.652
  760    HA   LYS  97           HA       LYS  97  -5.374  -1.411   8.254
  761   1HB   LYS  97          HB2       LYS  97  -3.757  -0.295   7.121
  762   2HB   LYS  97          HB3       LYS  97  -4.578  -0.482   5.592
  763   1HG   LYS  97          HG2       LYS  97  -4.301   1.785   5.769
  764   2HG   LYS  97          HG3       LYS  97  -5.999   1.510   6.059
  765   1HD   LYS  97          HD2       LYS  97  -5.251   1.502   8.598
  766   2HD   LYS  97          HD3       LYS  97  -3.818   2.345   7.966
  767   1HE   LYS  97          HE2       LYS  97  -5.317   4.033   6.877
  768   2HE   LYS  97          HE3       LYS  97  -6.719   3.179   7.525
  769   1HZ   LYS  97          HZ1       LYS  97  -6.227   4.982   8.993
  770   2HZ   LYS  97          HZ2       LYS  97  -5.727   3.624   9.768
  771   3HZ   LYS  97          HZ3       LYS  97  -4.646   4.608   9.082
  772    H    TYR  98           H        TYR  98  -7.646  -0.331   5.675
  773    HA   TYR  98           HA       TYR  98  -9.121   1.327   7.477
  774   1HB   TYR  98          HB2       TYR  98  -9.795   0.009   4.844
  775   2HB   TYR  98          HB3       TYR  98 -10.992   0.955   5.738
  776    HD1  TYR  98           HD1      TYR  98  -9.805   3.302   6.700
  777    HD2  TYR  98           HD2      TYR  98  -8.938   1.200   3.054
  778    HE1  TYR  98           HE1      TYR  98  -8.941   5.398   5.713
  779    HE2  TYR  98           HE2      TYR  98  -8.262   3.337   1.960
  780    HH   TYR  98           HH       TYR  98  -7.360   5.630   2.709
  781    H    VAL  99           H        VAL  99 -10.114  -1.996   6.326
  782    HA   VAL  99           HA       VAL  99 -12.382  -1.972   8.014
  783    HB   VAL  99           HB       VAL  99 -12.651  -4.322   7.664
  784   1HG1  VAL  99          1HG1      VAL  99 -11.669  -2.934   5.127
  785   2HG1  VAL  99          2HG1      VAL  99 -12.617  -4.428   5.184
  786   3HG1  VAL  99          3HG1      VAL  99 -13.316  -2.941   5.815
  787   1HG2  VAL  99          1HG2      VAL  99  -9.927  -4.387   6.364
  788   2HG2  VAL  99          2HG2      VAL  99 -10.265  -5.050   7.978
  789   3HG2  VAL  99          3HG2      VAL  99 -11.060  -5.757   6.572
  790    H    ALA 100           H        ALA 100  -9.098  -2.882   8.931
  791    HA   ALA 100           HA       ALA 100 -10.038  -3.772  11.573
  792   1HB   ALA 100          HB1       ALA 100  -7.229  -3.519  10.419
  793   2HB   ALA 100          HB2       ALA 100  -7.656  -4.287  11.958
  794   3HB   ALA 100          HB3       ALA 100  -8.216  -5.006  10.441
  795    H    ASN 101           H        ASN 101  -8.046  -0.980  10.360
  796    HA   ASN 101           HA       ASN 101  -7.960   0.038  13.157
  797   1HB   ASN 101          HB2       ASN 101  -5.789  -0.333  12.471
  798   2HB   ASN 101          HB3       ASN 101  -6.078   0.123  10.810
  799   1HD2  ASN 101          2HD2      ASN 101  -5.624   1.568  14.094
  800   2HD2  ASN 101          1HD2      ASN 101  -5.093   3.097  13.377
  801    H    GLN 102           H        GLN 102  -9.337   0.902  10.068
  802    HA   GLN 102           HA       GLN 102 -10.671   3.164  11.376
  803   1HB   GLN 102          HB2       GLN 102  -9.017   3.551   8.842
  804   2HB   GLN 102          HB3       GLN 102 -10.311   4.629   9.373
  805   1HG   GLN 102          HG2       GLN 102  -8.990   4.773  11.636
  806   2HG   GLN 102          HG3       GLN 102  -7.639   4.120  10.728
  807   1HE2  GLN 102          1HE2      GLN 102 -10.023   6.721  10.941
  808   2HE2  GLN 102          2HE2      GLN 102  -9.077   7.920  10.046
  809    HA   PRO 103           HA       PRO 103 -13.018   0.250   8.727
  810   1HB   PRO 103          HB2       PRO 103 -15.075   0.420  10.884
  811   2HB   PRO 103          HB3       PRO 103 -14.405  -1.024  10.059
  812   1HG   PRO 103          HG2       PRO 103 -13.651  -0.413  12.588
  813   2HG   PRO 103          HG3       PRO 103 -12.438  -0.972  11.397
  814   1HD   PRO 103          HD2       PRO 103 -13.061   1.887  12.187
  815   2HD   PRO 103          HD3       PRO 103 -11.476   1.059  12.093
  816    H    GLY 104           H        GLY 104 -13.715   3.472   9.652
  817   1HA   GLY 104          HA2       GLY 104 -14.638   4.820   7.858
  818   2HA   GLY 104          HA3       GLY 104 -15.953   3.656   7.671
  819    H    MET 105           H        MET 105 -16.299   3.343  10.665
  820    HA   MET 105           HA       MET 105 -17.808   5.811  11.166
  821   1HB   MET 105          HB2       MET 105 -18.711   4.780  13.054
  822   2HB   MET 105          HB3       MET 105 -18.613   3.488  11.864
  823   1HG   MET 105          HG2       MET 105 -16.779   3.973  14.245
  824   2HG   MET 105          HG3       MET 105 -17.967   2.696  14.083
  825   1HE   MET 105          HE1       MET 105 -14.878   2.556  15.009
  826   2HE   MET 105          HE2       MET 105 -15.922   1.122  15.048
  827   3HE   MET 105          HE3       MET 105 -14.327   1.052  14.254
  828    H    GLN 106           H        GLN 106 -14.662   4.751  11.497
  829    HA   GLN 106           HA       GLN 106 -13.535   6.979  12.844
  830   1HB   GLN 106          HB2       GLN 106 -14.224   5.534  14.752
  831   2HB   GLN 106          HB3       GLN 106 -13.421   4.148  14.021
  832   1HG   GLN 106          HG2       GLN 106 -11.687   6.543  14.555
  833   2HG   GLN 106          HG3       GLN 106 -12.378   5.745  15.967
  834   1HE2  GLN 106          1HE2      GLN 106 -10.549   5.021  13.004
  835   2HE2  GLN 106          2HE2      GLN 106  -9.678   3.633  13.655
  Start of MODEL   14
    1   1H    GLU   1          H1        GLU   1  18.922  -7.529  -7.326
    2   2H    GLU   1          H2        GLU   1  17.746  -6.373  -7.216
    3   3H    GLU   1          H3        GLU   1  17.782  -7.568  -6.106
    4    HA   GLU   1           HA       GLU   1  16.105  -8.249  -7.393
    5   1HB   GLU   1          HB2       GLU   1  16.258  -6.647  -9.143
    6   2HB   GLU   1          HB3       GLU   1  17.773  -7.316  -9.746
    7   1HG   GLU   1          HG2       GLU   1  16.710  -9.248 -10.661
    8   2HG   GLU   1          HG3       GLU   1  15.312  -9.072  -9.630
    9    H    GLY   2           H        GLY   2  16.210 -10.299  -6.716
   10   1HA   GLY   2          HA2       GLY   2  17.590 -12.208  -8.476
   11   2HA   GLY   2          HA3       GLY   2  17.998 -12.274  -6.763
   12    H    GLN   3           H        GLN   3  14.720 -11.325  -7.563
   13    HA   GLN   3           HA       GLN   3  12.723 -12.131  -7.103
   14   1HB   GLN   3          HB2       GLN   3  13.486 -13.847  -8.853
   15   2HB   GLN   3          HB3       GLN   3  13.724 -14.966  -7.514
   16   1HG   GLN   3          HG2       GLN   3  11.360 -14.858  -6.929
   17   2HG   GLN   3          HG3       GLN   3  11.081 -13.561  -8.101
   18   1HE2  GLN   3          2HE2      GLN   3  11.060 -17.002  -7.679
   19   2HE2  GLN   3          1HE2      GLN   3  10.959 -17.371  -9.402
   20    H    SER   4           H        SER   4  15.167 -14.063  -5.429
   21    HA   SER   4           HA       SER   4  13.604 -14.590  -3.059
   22   1HB   SER   4          HB2       SER   4  15.657 -15.857  -3.699
   23   2HB   SER   4          HB3       SER   4  16.631 -14.413  -3.388
   24    HG   SER   4           HG       SER   4  15.423 -14.542  -1.238
   25    H    ASP   5           H        ASP   5  15.078 -11.618  -4.107
   26    HA   ASP   5           HA       ASP   5  15.170 -10.491  -1.381
   27   1HB   ASP   5          HB2       ASP   5  16.026  -8.490  -2.432
   28   2HB   ASP   5          HB3       ASP   5  17.006  -9.898  -2.857
   29    H    GLU   6           H        GLU   6  13.304 -10.303  -4.374
   30    HA   GLU   6           HA       GLU   6  11.758  -8.061  -4.099
   31   1HB   GLU   6          HB2       GLU   6  11.720  -9.559  -6.045
   32   2HB   GLU   6          HB3       GLU   6  10.976 -10.822  -5.088
   33   1HG   GLU   6          HG2       GLU   6   9.348  -9.833  -6.553
   34   2HG   GLU   6          HG3       GLU   6   8.898  -9.645  -4.874
   35    H    ARG   7           H        ARG   7  10.938 -11.220  -2.623
   36    HA   ARG   7           HA       ARG   7   8.477 -10.178  -1.557
   37   1HB   ARG   7          HB2       ARG   7   9.642 -12.721  -1.577
   38   2HB   ARG   7          HB3       ARG   7   9.529 -12.352   0.133
   39   1HG   ARG   7          HG2       ARG   7   7.259 -12.207  -1.905
   40   2HG   ARG   7          HG3       ARG   7   7.509 -13.505  -0.760
   41   1HD   ARG   7          HD2       ARG   7   6.663 -10.646  -0.181
   42   2HD   ARG   7          HD3       ARG   7   5.722 -12.113   0.055
   43    HE   ARG   7           HE       ARG   7   7.354 -10.878   1.969
   44   1HH1  ARG   7          2HH1      ARG   7   6.884 -14.193   0.965
   45   2HH1  ARG   7          1HH1      ARG   7   7.585 -14.800   2.470
   46   1HH2  ARG   7          1HH2      ARG   7   8.100 -11.580   3.645
   47   2HH2  ARG   7          2HH2      ARG   7   8.428 -13.277   4.015
   48    H    ALA   8           H        ALA   8  11.707 -10.126  -0.121
   49    HA   ALA   8           HA       ALA   8  10.811  -9.025   2.435
   50   1HB   ALA   8          HB1       ALA   8  13.560  -9.138   1.105
   51   2HB   ALA   8          HB2       ALA   8  13.225  -8.673   2.793
   52   3HB   ALA   8          HB3       ALA   8  12.894 -10.328   2.236
   53    H    LEU   9           H        LEU   9  12.127  -7.702  -0.631
   54    HA   LEU   9           HA       LEU   9  12.134  -4.937   0.148
   55   1HB   LEU   9          HB2       LEU   9  11.671  -6.159  -2.588
   56   2HB   LEU   9          HB3       LEU   9  12.028  -4.461  -2.272
   57    HG   LEU   9           HG       LEU   9  13.930  -6.789  -1.764
   58   1HD1  LEU   9          1HD1      LEU   9  13.892  -4.644  -3.935
   59   2HD1  LEU   9          2HD1      LEU   9  15.153  -5.869  -3.705
   60   3HD1  LEU   9          3HD1      LEU   9  13.513  -6.364  -4.155
   61   1HD2  LEU   9          1HD2      LEU   9  14.298  -3.790  -1.473
   62   2HD2  LEU   9          2HD2      LEU   9  14.397  -5.005  -0.184
   63   3HD2  LEU   9          3HD2      LEU   9  15.624  -4.971  -1.467
   64    H    LEU  10           H        LEU  10   9.660  -6.884  -1.489
   65    HA   LEU  10           HA       LEU  10   7.529  -5.046  -1.763
   66   1HB   LEU  10          HB2       LEU  10   7.761  -7.214  -2.924
   67   2HB   LEU  10          HB3       LEU  10   7.726  -8.066  -1.383
   68    HG   LEU  10           HG       LEU  10   5.371  -7.453  -1.075
   69   1HD1  LEU  10          1HD1      LEU  10   4.121  -6.555  -3.001
   70   2HD1  LEU  10          2HD1      LEU  10   5.317  -5.374  -2.421
   71   3HD1  LEU  10          3HD1      LEU  10   5.650  -6.307  -3.895
   72   1HD2  LEU  10          1HD2      LEU  10   6.018  -9.575  -2.184
   73   2HD2  LEU  10          2HD2      LEU  10   4.517  -8.957  -2.872
   74   3HD2  LEU  10          3HD2      LEU  10   6.040  -8.766  -3.766
   75    H    ASP  11           H        ASP  11   8.298  -7.302   0.897
   76    HA   ASP  11           HA       ASP  11   6.192  -6.477   2.614
   77   1HB   ASP  11          HB2       ASP  11   8.893  -7.744   3.194
   78   2HB   ASP  11          HB3       ASP  11   7.780  -7.299   4.468
   79    H    GLN  12           H        GLN  12   9.606  -5.152   2.642
   80    HA   GLN  12           HA       GLN  12   8.785  -3.184   4.596
   81   1HB   GLN  12          HB2       GLN  12  10.842  -1.988   4.162
   82   2HB   GLN  12          HB3       GLN  12  11.170  -3.707   4.341
   83   1HG   GLN  12          HG2       GLN  12  11.676  -3.992   2.080
   84   2HG   GLN  12          HG3       GLN  12  10.873  -2.501   1.575
   85   1HE2  GLN  12          2HE2      GLN  12  12.155  -0.698   1.175
   86   2HE2  GLN  12          1HE2      GLN  12  13.807  -0.635   1.826
   87    H    LEU  13           H        LEU  13   8.639  -3.157   1.055
   88    HA   LEU  13           HA       LEU  13   7.864  -0.416   0.850
   89   1HB   LEU  13          HB2       LEU  13   7.847  -2.818  -0.955
   90   2HB   LEU  13          HB3       LEU  13   6.670  -1.574  -1.296
   91    HG   LEU  13           HG       LEU  13   8.655  -1.247  -2.655
   92   1HD1  LEU  13          1HD1      LEU  13   8.527   0.977  -0.578
   93   2HD1  LEU  13          2HD1      LEU  13   9.090   1.094  -2.245
   94   3HD1  LEU  13          3HD1      LEU  13   7.371   0.762  -1.889
   95   1HD2  LEU  13          1HD2      LEU  13  10.193  -0.888  -0.073
   96   2HD2  LEU  13          2HD2      LEU  13  10.404  -2.195  -1.274
   97   3HD2  LEU  13          3HD2      LEU  13  10.797  -0.530  -1.709
   98    H    HIS  14           H        HIS  14   5.784  -3.399   1.061
   99    HA   HIS  14           HA       HIS  14   3.425  -1.691   1.070
  100   1HB   HIS  14          HB2       HIS  14   2.066  -3.527   1.297
  101   2HB   HIS  14          HB3       HIS  14   3.362  -4.014   0.231
  102    HD2  HIS  14           HD2      HIS  14   4.151  -6.408   0.697
  103    HE1  HIS  14           HE1      HIS  14   3.399  -6.696   4.869
  104    HE2  HIS  14           HE2      HIS  14   4.396  -7.873   2.847
  105    H    THR  15           H        THR  15   5.533  -2.826   3.604
  106    HA   THR  15           HA       THR  15   3.928  -1.973   5.831
  107    HB   THR  15           HB       THR  15   6.959  -1.801   5.650
  108    HG1  THR  15           HG1      THR  15   6.289  -3.924   5.172
  109   1HG2  THR  15          1HG2      THR  15   6.880  -2.221   8.060
  110   2HG2  THR  15          2HG2      THR  15   6.038  -0.712   7.646
  111   3HG2  THR  15          3HG2      THR  15   5.102  -2.169   8.029
  112    H    LEU  16           H        LEU  16   6.548  -0.143   4.075
  113    HA   LEU  16           HA       LEU  16   6.092   2.383   5.188
  114   1HB   LEU  16          HB2       LEU  16   7.961   1.770   3.616
  115   2HB   LEU  16          HB3       LEU  16   6.799   1.579   2.334
  116    HG   LEU  16           HG       LEU  16   6.176   4.101   2.876
  117   1HD1  LEU  16          1HD1      LEU  16   7.717   4.310   4.804
  118   2HD1  LEU  16          2HD1      LEU  16   9.099   3.948   3.747
  119   3HD1  LEU  16          3HD1      LEU  16   8.150   5.427   3.499
  120   1HD2  LEU  16          1HD2      LEU  16   6.898   3.401   0.710
  121   2HD2  LEU  16          2HD2      LEU  16   7.880   4.795   1.150
  122   3HD2  LEU  16          3HD2      LEU  16   8.568   3.159   1.276
  123    H    LEU  17           H        LEU  17   4.583   0.977   2.310
  124    HA   LEU  17           HA       LEU  17   2.757   3.111   1.883
  125   1HB   LEU  17          HB2       LEU  17   3.791   0.915   0.468
  126   2HB   LEU  17          HB3       LEU  17   2.105   0.501   0.606
  127    HG   LEU  17           HG       LEU  17   1.481   2.485  -0.668
  128   1HD1  LEU  17          1HD1      LEU  17   4.333   3.388  -0.230
  129   2HD1  LEU  17          2HD1      LEU  17   3.301   4.016  -1.529
  130   3HD1  LEU  17          3HD1      LEU  17   2.781   4.233   0.127
  131   1HD2  LEU  17          1HD2      LEU  17   2.442   0.559  -1.939
  132   2HD2  LEU  17          2HD2      LEU  17   2.770   2.119  -2.734
  133   3HD2  LEU  17          3HD2      LEU  17   4.051   1.310  -1.831
  134    H    SER  18           H        SER  18   2.471   0.904   4.348
  135    HA   SER  18           HA       SER  18  -0.411   1.628   4.587
  136   1HB   SER  18          HB2       SER  18  -1.074  -0.593   5.129
  137   2HB   SER  18          HB3       SER  18  -0.234  -0.611   3.563
  138    HG   SER  18           HG       SER  18   1.558  -1.452   4.515
  139    H    ASN  19           H        ASN  19   2.398   1.909   5.975
  140    HA   ASN  19           HA       ASN  19   2.915   1.162   8.319
  141   1HB   ASN  19          HB2       ASN  19   4.122   3.254   8.595
  142   2HB   ASN  19          HB3       ASN  19   4.092   2.843   6.895
  143   1HD2  ASN  19          1HD2      ASN  19   2.982   4.309   5.432
  144   2HD2  ASN  19          2HD2      ASN  19   2.001   5.650   6.056
  145    H    THR  20           H        THR  20  -0.008   2.637   8.094
  146    HA   THR  20           HA       THR  20  -1.650   2.726   9.739
  147    HB   THR  20           HB       THR  20  -1.397   3.865  11.924
  148    HG1  THR  20           HG1      THR  20   1.314   3.521  11.370
  149   1HG2  THR  20          1HG2      THR  20  -1.536   1.427  11.785
  150   2HG2  THR  20          2HG2      THR  20   0.206   1.303  11.562
  151   3HG2  THR  20          3HG2      THR  20  -0.450   1.929  13.087
  152    H    ASP  21           H        ASP  21   0.540   5.430   8.848
  153    HA   ASP  21           HA       ASP  21  -0.911   7.521   9.828
  154   1HB   ASP  21          HB2       ASP  21   0.303   8.966   8.550
  155   2HB   ASP  21          HB3       ASP  21   1.365   7.575   8.593
  156    H    ALA  22           H        ALA  22  -1.425   6.177   6.618
  157    HA   ALA  22           HA       ALA  22  -3.079   6.245   5.059
  158   1HB   ALA  22          HB1       ALA  22  -4.881   6.720   7.467
  159   2HB   ALA  22          HB2       ALA  22  -5.442   6.332   5.847
  160   3HB   ALA  22          HB3       ALA  22  -4.435   5.160   6.741
  161    H    THR  23           H        THR  23  -2.757   9.046   6.958
  162    HA   THR  23           HA       THR  23  -4.450  10.889   6.356
  163    HB   THR  23           HB       THR  23  -2.422  11.132   7.739
  164    HG1  THR  23           HG1      THR  23  -0.798  10.393   6.290
  165   1HG2  THR  23          1HG2      THR  23  -2.593  13.401   5.707
  166   2HG2  THR  23          2HG2      THR  23  -1.952  13.489   7.355
  167   3HG2  THR  23          3HG2      THR  23  -3.679  13.198   7.106
  168    H    GLY  24           H        GLY  24  -1.699  10.802   4.095
  169   1HA   GLY  24          HA2       GLY  24  -3.432  12.047   2.012
  170   2HA   GLY  24          HA3       GLY  24  -1.674  11.895   1.923
  171    H    LEU  25           H        LEU  25  -2.113   8.934   2.781
  172    HA   LEU  25           HA       LEU  25  -2.200   7.712   0.164
  173   1HB   LEU  25          HB2       LEU  25  -2.567   6.602   2.976
  174   2HB   LEU  25          HB3       LEU  25  -2.636   5.608   1.531
  175    HG   LEU  25           HG       LEU  25  -0.319   6.137   0.960
  176   1HD1  LEU  25          1HD1      LEU  25   1.165   7.134   2.744
  177   2HD1  LEU  25          2HD1      LEU  25   0.110   8.297   1.961
  178   3HD1  LEU  25          3HD1      LEU  25  -0.283   7.684   3.596
  179   1HD2  LEU  25          1HD2      LEU  25  -0.613   5.185   3.843
  180   2HD2  LEU  25          2HD2      LEU  25  -1.035   4.203   2.405
  181   3HD2  LEU  25          3HD2      LEU  25   0.639   4.714   2.666
  182    H    GLU  26           H        GLU  26  -4.688   8.514   2.527
  183    HA   GLU  26           HA       GLU  26  -6.948   7.289   1.775
  184   1HB   GLU  26          HB2       GLU  26  -6.708   9.000   3.524
  185   2HB   GLU  26          HB3       GLU  26  -6.489  10.259   2.329
  186   1HG   GLU  26          HG2       GLU  26  -8.757  10.359   3.134
  187   2HG   GLU  26          HG3       GLU  26  -8.775   9.828   1.462
  188    H    GLU  27           H        GLU  27  -5.927  10.282   0.013
  189    HA   GLU  27           HA       GLU  27  -7.814  10.176  -2.079
  190   1HB   GLU  27          HB2       GLU  27  -6.292  12.073  -1.671
  191   2HB   GLU  27          HB3       GLU  27  -4.912  11.058  -2.091
  192   1HG   GLU  27          HG2       GLU  27  -6.081  10.818  -4.436
  193   2HG   GLU  27          HG3       GLU  27  -7.100  12.142  -3.910
  194    H    ILE  28           H        ILE  28  -4.640   8.537  -1.953
  195    HA   ILE  28           HA       ILE  28  -4.728   7.347  -4.582
  196    HB   ILE  28           HB       ILE  28  -3.343   6.148  -2.151
  197   1HG1  ILE  28          2HG1      ILE  28  -2.699   8.480  -2.043
  198   2HG1  ILE  28          3HG1      ILE  28  -1.356   7.453  -2.496
  199   1HG2  ILE  28          1HG2      ILE  28  -3.278   4.814  -4.205
  200   2HG2  ILE  28          2HG2      ILE  28  -2.556   6.172  -5.076
  201   3HG2  ILE  28          3HG2      ILE  28  -1.660   5.389  -3.754
  202   1HD1  ILE  28          1HD1      ILE  28  -2.969   9.208  -4.409
  203   2HD1  ILE  28          2HD1      ILE  28  -1.370   9.540  -3.748
  204   3HD1  ILE  28          3HD1      ILE  28  -1.578   8.182  -4.867
  205    H    ASP  29           H        ASP  29  -5.641   6.211  -1.344
  206    HA   ASP  29           HA       ASP  29  -6.549   3.635  -2.033
  207   1HB   ASP  29          HB2       ASP  29  -7.015   5.566   0.261
  208   2HB   ASP  29          HB3       ASP  29  -7.953   4.095   0.180
  209    H    ARG  30           H        ARG  30  -8.455   6.684  -1.784
  210    HA   ARG  30           HA       ARG  30 -10.913   5.404  -2.686
  211   1HB   ARG  30          HB2       ARG  30 -10.541   8.343  -3.205
  212   2HB   ARG  30          HB3       ARG  30 -11.962   7.432  -2.718
  213   1HG   ARG  30          HG2       ARG  30 -10.382   7.079  -0.486
  214   2HG   ARG  30          HG3       ARG  30  -9.750   8.607  -1.143
  215   1HD   ARG  30          HD2       ARG  30 -11.373   9.115   0.516
  216   2HD   ARG  30          HD3       ARG  30 -11.971   9.585  -1.047
  217    HE   ARG  30           HE       ARG  30 -13.404   7.423  -0.973
  218   1HH1  ARG  30          1HH1      ARG  30 -12.062   8.095   2.214
  219   2HH1  ARG  30          2HH1      ARG  30 -13.561   7.594   2.930
  220   1HH2  ARG  30          2HH2      ARG  30 -15.043   6.747   0.041
  221   2HH2  ARG  30          1HH2      ARG  30 -15.339   7.179   1.751
  222    H    ALA  31           H        ALA  31  -8.306   7.067  -4.406
  223    HA   ALA  31           HA       ALA  31  -9.415   6.865  -7.020
  224   1HB   ALA  31          HB1       ALA  31  -7.446   8.202  -6.515
  225   2HB   ALA  31          HB2       ALA  31  -6.502   6.735  -6.176
  226   3HB   ALA  31          HB3       ALA  31  -7.095   7.041  -7.812
  227    H    LEU  32           H        LEU  32  -8.266   4.299  -4.957
  228    HA   LEU  32           HA       LEU  32  -8.650   2.261  -7.100
  229   1HB   LEU  32          HB2       LEU  32  -7.217   2.144  -4.424
  230   2HB   LEU  32          HB3       LEU  32  -7.373   0.781  -5.541
  231    HG   LEU  32           HG       LEU  32  -5.995   3.412  -6.267
  232   1HD1  LEU  32          1HD1      LEU  32  -4.666   0.868  -5.286
  233   2HD1  LEU  32          2HD1      LEU  32  -3.921   2.456  -5.610
  234   3HD1  LEU  32          3HD1      LEU  32  -5.031   2.264  -4.253
  235   1HD2  LEU  32          1HD2      LEU  32  -6.763   1.873  -8.129
  236   2HD2  LEU  32          2HD2      LEU  32  -5.034   2.200  -8.070
  237   3HD2  LEU  32          3HD2      LEU  32  -5.658   0.639  -7.472
  238    H    GLY  33           H        GLY  33 -10.610   3.803  -5.131
  239   1HA   GLY  33          HA2       GLY  33 -12.627   3.387  -4.192
  240   2HA   GLY  33          HA3       GLY  33 -12.612   1.809  -4.992
  241    H    ILE  34           H        ILE  34 -10.033   2.392  -2.735
  242    HA   ILE  34           HA       ILE  34 -10.570   0.018  -1.339
  243    HB   ILE  34           HB       ILE  34  -8.722   2.277  -0.632
  244   1HG1  ILE  34          2HG1      ILE  34  -8.332  -0.445  -1.969
  245   2HG1  ILE  34          3HG1      ILE  34  -8.286   1.109  -2.785
  246   1HG2  ILE  34          1HG2      ILE  34  -7.669   1.053   1.009
  247   2HG2  ILE  34          2HG2      ILE  34  -9.391   0.715   1.352
  248   3HG2  ILE  34          3HG2      ILE  34  -8.369  -0.481   0.518
  249   1HD1  ILE  34          1HD1      ILE  34  -6.278  -0.061  -0.864
  250   2HD1  ILE  34          2HD1      ILE  34  -6.028   0.519  -2.527
  251   3HD1  ILE  34          3HD1      ILE  34  -6.297   1.674  -1.210
  252    HA   PRO  35           HA       PRO  35 -12.541   2.246   2.467
  253   1HB   PRO  35          HB2       PRO  35 -13.509   4.750   1.082
  254   2HB   PRO  35          HB3       PRO  35 -13.102   4.529   2.813
  255   1HG   PRO  35          HG2       PRO  35 -11.332   5.752   1.175
  256   2HG   PRO  35          HG3       PRO  35 -10.747   4.495   2.306
  257   1HD   PRO  35          HD2       PRO  35 -11.366   4.215  -0.646
  258   2HD   PRO  35          HD3       PRO  35  -9.957   3.630   0.295
  259    H    GLU  36           H        GLU  36 -13.824   2.849  -0.813
  260    HA   GLU  36           HA       GLU  36 -16.558   2.268  -0.207
  261   1HB   GLU  36          HB2       GLU  36 -15.096   2.236  -2.887
  262   2HB   GLU  36          HB3       GLU  36 -16.820   2.212  -2.647
  263   1HG   GLU  36          HG2       GLU  36 -16.241   4.448  -3.213
  264   2HG   GLU  36          HG3       GLU  36 -16.708   4.443  -1.527
  265    H    LEU  37           H        LEU  37 -13.909   0.227  -1.484
  266    HA   LEU  37           HA       LEU  37 -15.342  -2.267  -1.612
  267   1HB   LEU  37          HB2       LEU  37 -12.397  -1.576  -1.258
  268   2HB   LEU  37          HB3       LEU  37 -12.961  -3.218  -1.480
  269    HG   LEU  37           HG       LEU  37 -13.364  -1.004  -3.535
  270   1HD1  LEU  37          1HD1      LEU  37 -11.294  -3.247  -3.404
  271   2HD1  LEU  37          2HD1      LEU  37 -11.532  -2.114  -4.762
  272   3HD1  LEU  37          3HD1      LEU  37 -10.970  -1.504  -3.216
  273   1HD2  LEU  37          1HD2      LEU  37 -15.021  -2.827  -3.763
  274   2HD2  LEU  37          2HD2      LEU  37 -13.858  -2.786  -5.086
  275   3HD2  LEU  37          3HD2      LEU  37 -13.685  -4.008  -3.818
  276    H    VAL  38           H        VAL  38 -13.595  -0.628   0.992
  277    HA   VAL  38           HA       VAL  38 -13.963  -2.659   3.010
  278    HB   VAL  38           HB       VAL  38 -13.497   0.327   3.157
  279   1HG1  VAL  38          1HG1      VAL  38 -13.731  -1.638   5.459
  280   2HG1  VAL  38          2HG1      VAL  38 -12.972  -0.034   5.587
  281   3HG1  VAL  38          3HG1      VAL  38 -14.698  -0.175   5.198
  282   1HG2  VAL  38          1HG2      VAL  38 -11.645  -1.916   3.988
  283   2HG2  VAL  38          2HG2      VAL  38 -11.655  -1.220   2.358
  284   3HG2  VAL  38          3HG2      VAL  38 -11.305  -0.185   3.755
  285    H    ASN  39           H        ASN  39 -15.998   0.254   2.301
  286    HA   ASN  39           HA       ASN  39 -18.108  -0.383   4.095
  287   1HB   ASN  39          HB2       ASN  39 -17.919   1.235   1.538
  288   2HB   ASN  39          HB3       ASN  39 -19.483   0.944   2.263
  289   1HD2  ASN  39          2HD2      ASN  39 -16.294   2.463   2.924
  290   2HD2  ASN  39          1HD2      ASN  39 -16.961   3.417   4.265
  291    H    GLN  40           H        GLN  40 -17.654  -1.447   0.722
  292    HA   GLN  40           HA       GLN  40 -19.994  -3.094   0.558
  293   1HB   GLN  40          HB2       GLN  40 -17.513  -2.619  -1.032
  294   2HB   GLN  40          HB3       GLN  40 -18.145  -4.238  -1.167
  295   1HG   GLN  40          HG2       GLN  40 -18.984  -2.697  -2.922
  296   2HG   GLN  40          HG3       GLN  40 -20.226  -3.539  -2.007
  297   1HE2  GLN  40          2HE2      GLN  40 -18.465  -0.360  -1.206
  298   2HE2  GLN  40          1HE2      GLN  40 -20.040   0.461  -1.198
  299    H    GLY  41           H        GLY  41 -17.093  -3.656   2.397
  300   1HA   GLY  41          HA2       GLY  41 -16.518  -5.421   3.716
  301   2HA   GLY  41          HA3       GLY  41 -17.887  -6.354   3.078
  302    H    GLN  42           H        GLN  42 -16.393  -5.335   0.390
  303    HA   GLN  42           HA       GLN  42 -15.330  -7.816  -0.468
  304   1HB   GLN  42          HB2       GLN  42 -16.133  -5.855  -1.853
  305   2HB   GLN  42          HB3       GLN  42 -14.636  -5.009  -1.490
  306   1HG   GLN  42          HG2       GLN  42 -14.810  -7.726  -2.848
  307   2HG   GLN  42          HG3       GLN  42 -14.761  -6.201  -3.721
  308   1HE2  GLN  42          2HE2      GLN  42 -12.893  -8.679  -3.159
  309   2HE2  GLN  42          1HE2      GLN  42 -11.317  -7.946  -3.035
  310    H    ALA  43           H        ALA  43 -13.794  -5.077   1.092
  311    HA   ALA  43           HA       ALA  43 -11.088  -5.583   1.165
  312   1HB   ALA  43          HB1       ALA  43 -11.284  -4.588   3.529
  313   2HB   ALA  43          HB2       ALA  43 -12.124  -3.694   2.242
  314   3HB   ALA  43          HB3       ALA  43 -13.035  -4.747   3.357
  315    H    LEU  44           H        LEU  44 -13.543  -7.562   2.824
  316    HA   LEU  44           HA       LEU  44 -11.636  -8.903   4.556
  317   1HB   LEU  44          HB2       LEU  44 -14.515  -9.567   3.836
  318   2HB   LEU  44          HB3       LEU  44 -13.612 -10.278   5.166
  319    HG   LEU  44           HG       LEU  44 -14.400  -7.326   4.958
  320   1HD1  LEU  44          1HD1      LEU  44 -16.326  -8.815   5.324
  321   2HD1  LEU  44          2HD1      LEU  44 -15.476  -9.585   6.684
  322   3HD1  LEU  44          3HD1      LEU  44 -15.964  -7.870   6.765
  323   1HD2  LEU  44          1HD2      LEU  44 -12.309  -7.608   6.278
  324   2HD2  LEU  44          2HD2      LEU  44 -13.670  -7.213   7.319
  325   3HD2  LEU  44          3HD2      LEU  44 -13.078  -8.892   7.227
  326    H    GLU  45           H        GLU  45 -12.256  -9.310   1.213
  327    HA   GLU  45           HA       GLU  45 -11.755 -12.173   1.051
  328   1HB   GLU  45          HB2       GLU  45 -11.466  -9.840  -0.885
  329   2HB   GLU  45          HB3       GLU  45 -10.934 -11.453  -1.288
  330   1HG   GLU  45          HG2       GLU  45 -13.251 -12.331  -0.871
  331   2HG   GLU  45          HG3       GLU  45 -13.803 -10.663  -0.672
  332    HA   PRO  46           HA       PRO  46  -7.218 -12.013   1.375
  333   1HB   PRO  46          HB2       PRO  46  -6.410 -13.959  -0.371
  334   2HB   PRO  46          HB3       PRO  46  -7.205 -14.320   1.184
  335   1HG   PRO  46          HG2       PRO  46  -8.484 -14.146  -1.560
  336   2HG   PRO  46          HG3       PRO  46  -8.652 -15.460  -0.348
  337   1HD   PRO  46          HD2       PRO  46 -10.507 -13.501  -0.577
  338   2HD   PRO  46          HD3       PRO  46 -10.037 -14.139   1.026
  339    H    LYS  47           H        LYS  47  -9.004 -11.190  -1.342
  340    HA   LYS  47           HA       LYS  47  -6.892  -9.511  -2.579
  341   1HB   LYS  47          HB2       LYS  47  -8.005 -10.054  -4.804
  342   2HB   LYS  47          HB3       LYS  47  -6.957 -11.275  -4.124
  343   1HG   LYS  47          HG2       LYS  47  -8.647 -12.766  -3.660
  344   2HG   LYS  47          HG3       LYS  47  -9.857 -11.545  -3.383
  345   1HD   LYS  47          HD2       LYS  47  -8.828 -12.347  -6.123
  346   2HD   LYS  47          HD3       LYS  47 -10.318 -12.918  -5.365
  347   1HE   LYS  47          HE2       LYS  47  -9.701 -10.132  -6.379
  348   2HE   LYS  47          HE3       LYS  47 -10.958 -11.257  -6.903
  349   1HZ   LYS  47          HZ1       LYS  47 -10.828  -9.763  -4.373
  350   2HZ   LYS  47          HZ2       LYS  47 -12.006  -9.635  -5.486
  351   3HZ   LYS  47          HZ3       LYS  47 -11.868 -10.985  -4.567
  352    HT1  PRO  48           H2       PRO  48  14.831  -5.772 -12.876
  353    HT2  PRO  48           H3       PRO  48  14.195  -4.883 -14.149
  354    HA   PRO  48           HA       PRO  48  12.956  -5.314 -11.588
  355   1HB   PRO  48          HB2       PRO  48  11.828  -3.256 -13.431
  356   2HB   PRO  48          HB3       PRO  48  11.937  -3.306 -11.642
  357   1HG   PRO  48          HG2       PRO  48  13.831  -2.171 -13.653
  358   2HG   PRO  48          HG3       PRO  48  13.938  -1.964 -11.868
  359   1HD   PRO  48          HD2       PRO  48  15.724  -3.462 -13.232
  360   2HD   PRO  48          HD3       PRO  48  15.204  -3.873 -11.579
  361    H    ASN  49           H        ASN  49  12.854  -7.507 -12.494
  362    HA   ASN  49           HA       ASN  49  10.262  -7.948 -13.817
  363   1HB   ASN  49          HB2       ASN  49  11.930  -7.810 -15.685
  364   2HB   ASN  49          HB3       ASN  49  12.890  -9.079 -14.926
  365   1HD2  ASN  49          1HD2      ASN  49  10.063  -8.421 -16.924
  366   2HD2  ASN  49          2HD2      ASN  49   9.631 -10.122 -17.109
  367    H    ARG  50           H        ARG  50  13.179  -9.549 -12.505
  368    HA   ARG  50           HA       ARG  50  11.568 -11.803 -11.433
  369   1HB   ARG  50          HB2       ARG  50  14.520 -11.084 -11.186
  370   2HB   ARG  50          HB3       ARG  50  13.797 -12.520 -10.494
  371   1HG   ARG  50          HG2       ARG  50  14.054 -11.875 -13.472
  372   2HG   ARG  50          HG3       ARG  50  14.982 -13.039 -12.545
  373   1HD   ARG  50          HD2       ARG  50  13.430 -14.386 -13.643
  374   2HD   ARG  50          HD3       ARG  50  12.729 -14.198 -12.038
  375    HE   ARG  50           HE       ARG  50  11.903 -12.451 -14.353
  376   1HH1  ARG  50          1HH2      ARG  50  10.746 -14.536 -11.689
  377   2HH1  ARG  50          2HH2      ARG  50   9.105 -14.266 -12.189
  378   1HH2  ARG  50          1HH1      ARG  50   9.971 -12.051 -14.682
  379   2HH2  ARG  50          2HH1      ARG  50   8.617 -12.786 -13.830
  380    H    SER  51           H        SER  51  13.013  -8.824 -10.443
  381    HA   SER  51           HA       SER  51  11.344  -8.874  -7.991
  382   1HB   SER  51          HB2       SER  51  14.067  -7.486  -8.094
  383   2HB   SER  51          HB3       SER  51  13.049  -7.717  -6.678
  384    HG   SER  51           HG       SER  51  14.395  -9.438  -6.479
  385    H    ILE  52           H        ILE  52   9.788  -7.380  -8.399
  386    HA   ILE  52           HA       ILE  52  10.296  -5.419 -10.565
  387    HB   ILE  52           HB       ILE  52   7.567  -5.430  -9.490
  388   1HG1  ILE  52          2HG1      ILE  52   6.910  -7.411 -10.985
  389   2HG1  ILE  52          3HG1      ILE  52   8.549  -7.984 -10.855
  390   1HG2  ILE  52          1HG2      ILE  52   8.372  -4.184 -11.457
  391   2HG2  ILE  52          2HG2      ILE  52   8.704  -5.714 -12.289
  392   3HG2  ILE  52          3HG2      ILE  52   7.032  -5.268 -11.834
  393   1HD1  ILE  52          1HD1      ILE  52   6.836  -8.992  -9.263
  394   2HD1  ILE  52          2HD1      ILE  52   8.261  -8.338  -8.444
  395   3HD1  ILE  52          3HD1      ILE  52   6.732  -7.434  -8.432
  396    H    SER  53           H        SER  53  10.401  -5.527  -7.188
  397    HA   SER  53           HA       SER  53   9.793  -2.678  -6.882
  398   1HB   SER  53          HB2       SER  53  10.135  -3.088  -4.473
  399   2HB   SER  53          HB3       SER  53   8.955  -4.190  -5.162
  400    HG   SER  53           HG       SER  53  10.577  -5.797  -5.251
  401    HA   PRO  54           HA       PRO  54  14.503  -2.691  -5.829
  402   1HB   PRO  54          HB2       PRO  54  16.162  -3.037  -7.935
  403   2HB   PRO  54          HB3       PRO  54  15.527  -4.406  -6.983
  404   1HG   PRO  54          HG2       PRO  54  14.307  -3.259  -9.543
  405   2HG   PRO  54          HG3       PRO  54  14.811  -4.969  -9.251
  406   1HD   PRO  54          HD2       PRO  54  12.296  -4.150  -8.922
  407   2HD   PRO  54          HD3       PRO  54  13.018  -5.264  -7.701
  408    H    SER  55           H        SER  55  12.817  -1.397  -8.650
  409    HA   SER  55           HA       SER  55  14.264   1.175  -8.414
  410   1HB   SER  55          HB2       SER  55  12.804   1.884 -10.232
  411   2HB   SER  55          HB3       SER  55  13.725   0.430 -10.660
  412    HG   SER  55           HG       SER  55  11.382   0.434 -11.137
  413    H    ALA  56           H        ALA  56  11.022  -0.235  -7.677
  414    HA   ALA  56           HA       ALA  56   9.895   2.168  -6.618
  415   1HB   ALA  56          HB1       ALA  56   9.457  -0.747  -5.838
  416   2HB   ALA  56          HB2       ALA  56   8.386   0.578  -5.368
  417   3HB   ALA  56          HB3       ALA  56   8.558   0.147  -7.085
  418    H    LEU  57           H        LEU  57  12.127  -0.164  -5.229
  419    HA   LEU  57           HA       LEU  57  12.396   0.736  -2.563
  420   1HB   LEU  57          HB2       LEU  57  13.256  -1.386  -3.550
  421   2HB   LEU  57          HB3       LEU  57  14.287  -0.462  -4.623
  422    HG   LEU  57           HG       LEU  57  15.674   0.247  -2.688
  423   1HD1  LEU  57          1HD1      LEU  57  14.061   0.095  -0.853
  424   2HD1  LEU  57          2HD1      LEU  57  13.804  -1.633  -1.166
  425   3HD1  LEU  57          3HD1      LEU  57  15.361  -1.072  -0.543
  426   1HD2  LEU  57          1HD2      LEU  57  16.642  -2.067  -2.361
  427   2HD2  LEU  57          2HD2      LEU  57  15.233  -2.722  -3.242
  428   3HD2  LEU  57          3HD2      LEU  57  16.347  -1.637  -4.049
  429    H    GLN  58           H        GLN  58  13.522   2.231  -5.539
  430    HA   GLN  58           HA       GLN  58  15.132   4.249  -4.056
  431   1HB   GLN  58          HB2       GLN  58  15.866   3.344  -6.368
  432   2HB   GLN  58          HB3       GLN  58  14.412   4.026  -7.039
  433   1HG   GLN  58          HG2       GLN  58  15.159   6.302  -6.111
  434   2HG   GLN  58          HG3       GLN  58  16.724   5.546  -5.823
  435   1HE2  GLN  58          1HE2      GLN  58  14.434   6.732  -8.371
  436   2HE2  GLN  58          2HE2      GLN  58  15.637   6.448  -9.630
  437    H    ASP  59           H        ASP  59  12.475   4.128  -6.401
  438    HA   ASP  59           HA       ASP  59  11.737   6.851  -5.899
  439   1HB   ASP  59          HB2       ASP  59  11.648   4.903  -8.032
  440   2HB   ASP  59          HB3       ASP  59  10.050   5.588  -7.841
  441    H    LEU  60           H        LEU  60  10.063   3.853  -5.057
  442    HA   LEU  60           HA       LEU  60   7.616   5.394  -4.459
  443   1HB   LEU  60          HB2       LEU  60   7.900   2.874  -5.383
  444   2HB   LEU  60          HB3       LEU  60   7.837   2.523  -3.665
  445    HG   LEU  60           HG       LEU  60   5.800   4.034  -5.368
  446   1HD1  LEU  60          1HD1      LEU  60   4.354   2.135  -4.897
  447   2HD1  LEU  60          2HD1      LEU  60   5.882   1.550  -5.599
  448   3HD1  LEU  60          3HD1      LEU  60   5.594   1.412  -3.846
  449   1HD2  LEU  60          1HD2      LEU  60   5.701   5.089  -3.194
  450   2HD2  LEU  60          2HD2      LEU  60   4.328   3.997  -3.415
  451   3HD2  LEU  60          3HD2      LEU  60   5.712   3.508  -2.386
  452    H    LEU  61           H        LEU  61  10.302   3.700  -2.945
  453    HA   LEU  61           HA       LEU  61   9.764   4.227  -0.227
  454   1HB   LEU  61          HB2       LEU  61  11.779   2.965  -1.593
  455   2HB   LEU  61          HB3       LEU  61  12.601   4.448  -1.147
  456    HG   LEU  61           HG       LEU  61  11.627   3.881   1.281
  457   1HD1  LEU  61          1HD1      LEU  61  10.275   1.923   0.496
  458   2HD1  LEU  61          2HD1      LEU  61  11.768   1.120  -0.031
  459   3HD1  LEU  61          3HD1      LEU  61  11.465   1.466   1.697
  460   1HD2  LEU  61          1HD2      LEU  61  13.936   2.317   0.070
  461   2HD2  LEU  61          2HD2      LEU  61  14.034   3.961   0.742
  462   3HD2  LEU  61          3HD2      LEU  61  13.653   2.591   1.804
  463    H    ARG  62           H        ARG  62  11.813   6.368  -2.396
  464    HA   ARG  62           HA       ARG  62  11.866   8.465  -0.447
  465   1HB   ARG  62          HB2       ARG  62  12.772   9.889  -2.119
  466   2HB   ARG  62          HB3       ARG  62  13.403   8.285  -2.429
  467   1HG   ARG  62          HG2       ARG  62  11.522   8.022  -4.135
  468   2HG   ARG  62          HG3       ARG  62  11.210   9.755  -3.948
  469   1HD   ARG  62          HD2       ARG  62  13.594  10.192  -4.644
  470   2HD   ARG  62          HD3       ARG  62  13.806   8.452  -4.903
  471    HE   ARG  62           HE       ARG  62  12.702   8.625  -6.923
  472   1HH1  ARG  62          1HH2      ARG  62  12.136  11.644  -5.269
  473   2HH1  ARG  62          2HH2      ARG  62  11.120  12.271  -6.554
  474   1HH2  ARG  62          1HH1      ARG  62  11.210   9.360  -8.402
  475   2HH2  ARG  62          2HH1      ARG  62  10.710  11.012  -8.390
  476    H    THR  63           H        THR  63   9.448   7.704  -2.860
  477    HA   THR  63           HA       THR  63   7.857  10.053  -2.664
  478    HB   THR  63           HB       THR  63   7.320   7.203  -3.564
  479    HG1  THR  63           HG1      THR  63   8.379   8.159  -5.050
  480   1HG2  THR  63          1HG2      THR  63   5.142   7.792  -2.956
  481   2HG2  THR  63          2HG2      THR  63   5.305   9.436  -3.632
  482   3HG2  THR  63          3HG2      THR  63   5.272   8.038  -4.712
  483    H    LEU  64           H        LEU  64   7.945   7.303  -0.437
  484    HA   LEU  64           HA       LEU  64   5.840   8.774   1.100
  485   1HB   LEU  64          HB2       LEU  64   5.888   6.027   0.309
  486   2HB   LEU  64          HB3       LEU  64   6.227   6.086   2.032
  487    HG   LEU  64           HG       LEU  64   4.138   7.713   2.155
  488   1HD1  LEU  64          1HD1      LEU  64   2.394   7.089   0.446
  489   2HD1  LEU  64          2HD1      LEU  64   3.739   7.992  -0.251
  490   3HD1  LEU  64          3HD1      LEU  64   3.642   6.228  -0.478
  491   1HD2  LEU  64          1HD2      LEU  64   4.189   4.716   1.811
  492   2HD2  LEU  64          2HD2      LEU  64   4.124   5.678   3.293
  493   3HD2  LEU  64          3HD2      LEU  64   2.684   5.567   2.275
  494    H    LYS  65           H        LYS  65   9.138   7.814   1.175
  495    HA   LYS  65           HA       LYS  65   9.574   8.218   4.009
  496   1HB   LYS  65          HB2       LYS  65  11.317   8.440   1.546
  497   2HB   LYS  65          HB3       LYS  65  11.914   9.004   3.103
  498   1HG   LYS  65          HG2       LYS  65  11.583   6.764   4.101
  499   2HG   LYS  65          HG3       LYS  65  10.826   6.181   2.627
  500   1HD   LYS  65          HD2       LYS  65  13.102   5.379   2.744
  501   2HD   LYS  65          HD3       LYS  65  12.958   6.508   1.394
  502   1HE   LYS  65          HE2       LYS  65  13.946   8.307   2.760
  503   2HE   LYS  65          HE3       LYS  65  13.985   7.258   4.171
  504   1HZ   LYS  65          HZ1       LYS  65  15.524   6.789   1.685
  505   2HZ   LYS  65          HZ2       LYS  65  16.139   7.392   3.089
  506   3HZ   LYS  65          HZ3       LYS  65  15.571   5.857   3.038
  507    H    SER  66           H        SER  66   9.202  10.327   1.197
  508    HA   SER  66           HA       SER  66   9.354  12.823   2.791
  509   1HB   SER  66          HB2       SER  66   8.372  13.846   0.694
  510   2HB   SER  66          HB3       SER  66   9.975  13.124   0.512
  511    HG   SER  66           HG       SER  66   9.049  11.358  -0.522
  512    HA   PRO  67           HA       PRO  67   5.537  11.751   4.476
  513   1HB   PRO  67          HB2       PRO  67   4.633  14.014   5.736
  514   2HB   PRO  67          HB3       PRO  67   6.156  13.196   6.194
  515   1HG   PRO  67          HG2       PRO  67   5.818  15.563   4.325
  516   2HG   PRO  67          HG3       PRO  67   6.935  15.427   5.714
  517   1HD   PRO  67          HD2       PRO  67   7.676  14.916   3.135
  518   2HD   PRO  67          HD3       PRO  67   8.390  13.990   4.504
  519    H    SER  68           H        SER  68   3.414  11.613   4.426
  520    HA   SER  68           HA       SER  68   1.981  11.699   2.180
  521   1HB   SER  68          HB2       SER  68   0.862  11.975   4.967
  522   2HB   SER  68          HB3       SER  68   0.106  11.143   3.570
  523    HG   SER  68           HG       SER  68   1.092   9.713   5.063
  524    H    SER  69           H        SER  69   2.722  14.661   3.548
  525    HA   SER  69           HA       SER  69   0.126  15.987   3.297
  526   1HB   SER  69          HB2       SER  69   1.476  16.826   5.017
  527   2HB   SER  69          HB3       SER  69   2.897  16.978   3.981
  528    HG   SER  69           HG       SER  69   0.495  18.485   3.843
  529    HA   PRO  70           HA       PRO  70   1.645  17.566  -0.881
  530   1HB   PRO  70          HB2       PRO  70   4.229  17.245  -1.765
  531   2HB   PRO  70          HB3       PRO  70   3.677  18.658  -0.812
  532   1HG   PRO  70          HG2       PRO  70   5.092  16.146   0.173
  533   2HG   PRO  70          HG3       PRO  70   5.465  17.854   0.554
  534   1HD   PRO  70          HD2       PRO  70   3.979  16.308   2.240
  535   2HD   PRO  70          HD3       PRO  70   3.646  18.044   2.004
  536    H    GLN  71           H        GLN  71   3.172  14.610   0.348
  537    HA   GLN  71           HA       GLN  71   3.064  13.192  -2.136
  538   1HB   GLN  71          HB2       GLN  71   3.525  12.168   0.695
  539   2HB   GLN  71          HB3       GLN  71   3.783  11.250  -0.787
  540   1HG   GLN  71          HG2       GLN  71   5.271  13.793   0.058
  541   2HG   GLN  71          HG3       GLN  71   5.889  12.143   0.010
  542   1HE2  GLN  71          2HE2      GLN  71   5.927  11.085  -2.137
  543   2HE2  GLN  71          1HE2      GLN  71   6.302  12.141  -3.546
  544    H    GLN  72           H        GLN  72   0.456  14.071  -0.284
  545    HA   GLN  72           HA       GLN  72  -1.354  11.951  -0.326
  546   1HB   GLN  72          HB2       GLN  72  -1.704  14.284   0.567
  547   2HB   GLN  72          HB3       GLN  72  -1.704  14.892  -1.091
  548   1HG   GLN  72          HG2       GLN  72  -3.763  13.283  -1.432
  549   2HG   GLN  72          HG3       GLN  72  -3.831  13.261   0.318
  550   1HE2  GLN  72          1HE2      GLN  72  -4.835  14.915  -2.471
  551   2HE2  GLN  72          2HE2      GLN  72  -5.318  16.420  -1.670
  552    H    GLN  73           H        GLN  73  -0.065  13.811  -3.010
  553    HA   GLN  73           HA       GLN  73  -2.192  13.345  -4.861
  554   1HB   GLN  73          HB2       GLN  73   0.674  14.265  -5.261
  555   2HB   GLN  73          HB3       GLN  73  -0.590  14.352  -6.491
  556   1HG   GLN  73          HG2       GLN  73  -1.850  15.970  -5.212
  557   2HG   GLN  73          HG3       GLN  73  -0.870  15.721  -3.777
  558   1HE2  GLN  73          2HE2      GLN  73   1.459  16.373  -3.809
  559   2HE2  GLN  73          1HE2      GLN  73   1.848  17.723  -4.903
  560    H    GLN  74           H        GLN  74  -2.036  12.321  -6.845
  561    HA   GLN  74           HA       GLN  74  -1.659   9.597  -7.010
  562   1HB   GLN  74          HB2       GLN  74  -1.550  11.625  -9.274
  563   2HB   GLN  74          HB3       GLN  74  -1.913   9.916  -9.460
  564   1HG   GLN  74          HG2       GLN  74  -3.616  11.960  -7.963
  565   2HG   GLN  74          HG3       GLN  74  -3.968  11.221  -9.522
  566   1HE2  GLN  74          2HE2      GLN  74  -4.526  10.923  -6.164
  567   2HE2  GLN  74          1HE2      GLN  74  -5.140   9.277  -6.233
  568    H    GLN  75           H        GLN  75   1.094  11.534  -6.795
  569    HA   GLN  75           HA       GLN  75   2.829  10.085  -8.620
  570   1HB   GLN  75          HB2       GLN  75   4.509  11.350  -7.894
  571   2HB   GLN  75          HB3       GLN  75   3.195  12.416  -7.444
  572   1HG   GLN  75          HG2       GLN  75   4.787  10.597  -5.577
  573   2HG   GLN  75          HG3       GLN  75   4.948  12.339  -5.728
  574   1HE2  GLN  75          1HE2      GLN  75   3.554   9.986  -3.775
  575   2HE2  GLN  75          2HE2      GLN  75   2.272  10.994  -3.110
  576    H    VAL  76           H        VAL  76   1.478   9.233  -5.498
  577    HA   VAL  76           HA       VAL  76   3.384   7.017  -5.145
  578    HB   VAL  76           HB       VAL  76   0.527   6.817  -4.148
  579   1HG1  VAL  76          1HG1      VAL  76   2.224   4.950  -3.925
  580   2HG1  VAL  76          2HG1      VAL  76   3.203   6.045  -2.938
  581   3HG1  VAL  76          3HG1      VAL  76   1.603   5.543  -2.366
  582   1HG2  VAL  76          1HG2      VAL  76   1.075   9.014  -3.322
  583   2HG2  VAL  76          2HG2      VAL  76   1.073   7.808  -2.032
  584   3HG2  VAL  76          3HG2      VAL  76   2.642   8.386  -2.676
  585    H    LEU  77           H        LEU  77   0.104   7.394  -6.442
  586    HA   LEU  77           HA       LEU  77  -0.315   4.729  -7.087
  587   1HB   LEU  77          HB2       LEU  77  -1.847   6.947  -7.063
  588   2HB   LEU  77          HB3       LEU  77  -1.681   6.779  -8.799
  589    HG   LEU  77           HG       LEU  77  -2.563   4.502  -6.944
  590   1HD1  LEU  77          1HD1      LEU  77  -4.364   6.278  -8.626
  591   2HD1  LEU  77          2HD1      LEU  77  -4.828   4.952  -7.542
  592   3HD1  LEU  77          3HD1      LEU  77  -4.147   6.443  -6.879
  593   1HD2  LEU  77          1HD2      LEU  77  -2.661   4.911  -9.957
  594   2HD2  LEU  77          2HD2      LEU  77  -1.775   3.643  -9.068
  595   3HD2  LEU  77          3HD2      LEU  77  -3.539   3.617  -9.096
  596    H    ASN  78           H        ASN  78   1.014   7.364  -9.050
  597    HA   ASN  78           HA       ASN  78   1.413   6.002 -11.480
  598   1HB   ASN  78          HB2       ASN  78   1.542   8.460 -11.127
  599   2HB   ASN  78          HB3       ASN  78   3.075   8.240 -10.257
  600   1HD2  ASN  78          2HD2      ASN  78   4.614   9.163 -11.654
  601   2HD2  ASN  78          1HD2      ASN  78   4.710   8.687 -13.363
  602    H    ILE  79           H        ILE  79   3.460   5.851  -8.515
  603    HA   ILE  79           HA       ILE  79   5.493   4.288  -9.997
  604    HB   ILE  79           HB       ILE  79   5.452   5.223  -7.142
  605   1HG1  ILE  79          2HG1      ILE  79   7.135   6.294  -9.467
  606   2HG1  ILE  79          3HG1      ILE  79   5.642   7.050  -8.942
  607   1HG2  ILE  79          1HG2      ILE  79   6.824   3.130  -7.553
  608   2HG2  ILE  79          2HG2      ILE  79   7.678   3.964  -8.849
  609   3HG2  ILE  79          3HG2      ILE  79   7.844   4.522  -7.180
  610   1HD1  ILE  79          1HD1      ILE  79   6.624   7.256  -6.623
  611   2HD1  ILE  79          2HD1      ILE  79   8.187   6.777  -7.339
  612   3HD1  ILE  79          3HD1      ILE  79   7.382   8.259  -7.876
  613    H    LEU  80           H        LEU  80   3.069   3.888  -7.443
  614    HA   LEU  80           HA       LEU  80   3.197   1.255  -6.623
  615   1HB   LEU  80          HB2       LEU  80   1.071   3.292  -7.175
  616   2HB   LEU  80          HB3       LEU  80   0.488   1.660  -7.075
  617    HG   LEU  80           HG       LEU  80   2.176   2.841  -4.852
  618   1HD1  LEU  80          1HD1      LEU  80  -0.869   2.976  -5.086
  619   2HD1  LEU  80          2HD1      LEU  80   0.079   3.312  -3.619
  620   3HD1  LEU  80          3HD1      LEU  80   0.252   4.361  -5.016
  621   1HD2  LEU  80          1HD2      LEU  80   0.023   0.682  -5.063
  622   2HD2  LEU  80          2HD2      LEU  80   1.777   0.381  -4.879
  623   3HD2  LEU  80          3HD2      LEU  80   0.846   1.154  -3.563
  624    H    LYS  81           H        LYS  81   1.568   2.366  -9.630
  625    HA   LYS  81           HA       LYS  81   0.648  -0.157 -10.450
  626   1HB   LYS  81          HB2       LYS  81   0.146   0.855 -12.536
  627   2HB   LYS  81          HB3       LYS  81  -0.022   2.123 -11.323
  628   1HG   LYS  81          HG2       LYS  81   2.336   2.867 -11.925
  629   2HG   LYS  81          HG3       LYS  81   2.301   1.701 -13.256
  630   1HD   LYS  81          HD2       LYS  81   0.108   2.901 -13.973
  631   2HD   LYS  81          HD3       LYS  81   0.611   4.203 -12.897
  632   1HE   LYS  81          HE2       LYS  81   2.293   3.025 -15.160
  633   2HE   LYS  81          HE3       LYS  81   1.297   4.470 -15.334
  634   1HZ   LYS  81          HZ1       LYS  81   2.699   5.682 -13.955
  635   2HZ   LYS  81          HZ2       LYS  81   3.345   4.425 -13.224
  636   3HZ   LYS  81          HZ3       LYS  81   3.785   4.790 -14.767
  637    H    SER  82           H        SER  82   3.934   0.899 -10.492
  638    HA   SER  82           HA       SER  82   4.760  -0.781 -12.758
  639   1HB   SER  82          HB2       SER  82   7.016  -0.045 -12.281
  640   2HB   SER  82          HB3       SER  82   5.947   1.373 -12.166
  641    HG   SER  82           HG       SER  82   5.994   1.177  -9.924
  642    H    ASN  83           H        ASN  83   4.264  -1.460  -9.409
  643    HA   ASN  83           HA       ASN  83   5.547  -4.109  -9.864
  644   1HB   ASN  83          HB2       ASN  83   6.937  -2.979  -8.288
  645   2HB   ASN  83          HB3       ASN  83   5.550  -2.676  -7.237
  646   1HD2  ASN  83          2HD2      ASN  83   8.101  -4.419  -6.998
  647   2HD2  ASN  83          1HD2      ASN  83   7.469  -5.971  -6.504
  648    HA   PRO  84           HA       PRO  84   1.066  -4.686  -9.700
  649   1HB   PRO  84          HB2       PRO  84   1.784  -7.528 -10.303
  650   2HB   PRO  84          HB3       PRO  84   0.674  -6.420 -11.177
  651   1HG   PRO  84          HG2       PRO  84   3.139  -7.073 -12.188
  652   2HG   PRO  84          HG3       PRO  84   2.478  -5.406 -12.352
  653   1HD   PRO  84          HD2       PRO  84   4.458  -6.417 -10.318
  654   2HD   PRO  84          HD3       PRO  84   4.485  -4.942 -11.329
  655    H    GLN  85           H        GLN  85   3.452  -6.759  -8.108
  656    HA   GLN  85           HA       GLN  85   1.654  -8.071  -6.265
  657   1HB   GLN  85          HB2       GLN  85   4.623  -7.607  -5.790
  658   2HB   GLN  85          HB3       GLN  85   3.599  -8.875  -5.145
  659   1HG   GLN  85          HG2       GLN  85   3.369  -9.775  -7.511
  660   2HG   GLN  85          HG3       GLN  85   4.580  -8.593  -8.018
  661   1HE2  GLN  85          2HE2      GLN  85   6.815  -8.696  -6.282
  662   2HE2  GLN  85          1HE2      GLN  85   7.161 -10.398  -6.115
  663    H    LEU  86           H        LEU  86   3.883  -5.282  -6.049
  664    HA   LEU  86           HA       LEU  86   3.291  -4.515  -3.360
  665   1HB   LEU  86          HB2       LEU  86   5.173  -3.829  -5.071
  666   2HB   LEU  86          HB3       LEU  86   4.033  -2.541  -5.491
  667    HG   LEU  86           HG       LEU  86   5.529  -3.075  -2.896
  668   1HD1  LEU  86          1HD1      LEU  86   6.328  -0.753  -3.356
  669   2HD1  LEU  86          2HD1      LEU  86   5.315  -0.727  -4.815
  670   3HD1  LEU  86          3HD1      LEU  86   6.694  -1.855  -4.684
  671   1HD2  LEU  86          1HD2      LEU  86   3.331  -2.445  -2.101
  672   2HD2  LEU  86          2HD2      LEU  86   4.415  -1.073  -1.927
  673   3HD2  LEU  86          3HD2      LEU  86   3.242  -1.113  -3.279
  674    H    MET  87           H        MET  87   1.821  -3.520  -6.481
  675    HA   MET  87           HA       MET  87  -0.109  -1.752  -5.437
  676   1HB   MET  87          HB2       MET  87   0.536  -2.874  -7.974
  677   2HB   MET  87          HB3       MET  87  -1.166  -3.268  -7.718
  678   1HG   MET  87          HG2       MET  87   0.048  -0.508  -7.340
  679   2HG   MET  87          HG3       MET  87  -0.699  -1.032  -8.829
  680   1HE   MET  87          HE1       MET  87  -1.712   1.285  -8.402
  681   2HE   MET  87          HE2       MET  87  -3.190   1.562  -7.415
  682   3HE   MET  87          HE3       MET  87  -1.603   1.548  -6.638
  683    H    ALA  88           H        ALA  88  -0.527  -5.291  -6.057
  684    HA   ALA  88           HA       ALA  88  -3.127  -5.411  -4.829
  685   1HB   ALA  88          HB1       ALA  88  -2.707  -7.868  -4.819
  686   2HB   ALA  88          HB2       ALA  88  -2.251  -7.145  -6.378
  687   3HB   ALA  88          HB3       ALA  88  -0.994  -7.575  -5.215
  688    H    ALA  89           H        ALA  89   0.149  -5.962  -3.415
  689    HA   ALA  89           HA       ALA  89  -0.752  -6.584  -0.803
  690   1HB   ALA  89          HB1       ALA  89   1.828  -5.242  -1.701
  691   2HB   ALA  89          HB2       ALA  89   1.560  -6.051  -0.148
  692   3HB   ALA  89          HB3       ALA  89   1.546  -7.006  -1.629
  693    H    PHE  90           H        PHE  90  -0.091  -3.380  -2.324
  694    HA   PHE  90           HA       PHE  90  -0.663  -1.790  -0.040
  695   1HB   PHE  90          HB2       PHE  90   0.456  -0.854  -1.940
  696   2HB   PHE  90          HB3       PHE  90  -0.875  -1.226  -3.009
  697    HD1  PHE  90           HD1      PHE  90  -0.057   0.886   0.077
  698    HD2  PHE  90           HD2      PHE  90  -2.446   0.450  -3.519
  699    HE1  PHE  90           HE1      PHE  90  -0.829   3.196   0.291
  700    HE2  PHE  90           HE2      PHE  90  -3.235   2.783  -3.220
  701    HZ   PHE  90           HZ       PHE  90  -2.442   4.148  -1.321
  702    H    ILE  91           H        ILE  91  -2.877  -2.666  -2.825
  703    HA   ILE  91           HA       ILE  91  -5.273  -1.749  -1.651
  704    HB   ILE  91           HB       ILE  91  -4.815  -4.051  -3.574
  705   1HG1  ILE  91          2HG1      ILE  91  -5.827  -1.189  -3.971
  706   2HG1  ILE  91          3HG1      ILE  91  -4.184  -1.694  -4.312
  707   1HG2  ILE  91          1HG2      ILE  91  -7.244  -3.878  -4.089
  708   2HG2  ILE  91          2HG2      ILE  91  -6.984  -4.395  -2.439
  709   3HG2  ILE  91          3HG2      ILE  91  -7.447  -2.710  -2.763
  710   1HD1  ILE  91          1HD1      ILE  91  -5.127  -3.294  -6.062
  711   2HD1  ILE  91          2HD1      ILE  91  -6.713  -2.514  -5.788
  712   3HD1  ILE  91          3HD1      ILE  91  -5.354  -1.566  -6.379
  713    H    LYS  92           H        LYS  92  -3.768  -4.961  -1.128
  714    HA   LYS  92           HA       LYS  92  -5.804  -5.770   0.704
  715   1HB   LYS  92          HB2       LYS  92  -4.331  -7.353  -0.500
  716   2HB   LYS  92          HB3       LYS  92  -2.958  -6.828   0.459
  717   1HG   LYS  92          HG2       LYS  92  -4.069  -8.957   1.235
  718   2HG   LYS  92          HG3       LYS  92  -3.882  -7.723   2.477
  719   1HD   LYS  92          HD2       LYS  92  -6.087  -8.959   2.521
  720   2HD   LYS  92          HD3       LYS  92  -6.220  -7.202   2.493
  721   1HE   LYS  92          HE2       LYS  92  -6.398  -7.503  -0.115
  722   2HE   LYS  92          HE3       LYS  92  -6.747  -9.181   0.255
  723   1HZ   LYS  92          HZ1       LYS  92  -8.688  -8.506   1.413
  724   2HZ   LYS  92          HZ2       LYS  92  -8.308  -6.892   1.345
  725   3HZ   LYS  92          HZ3       LYS  92  -8.646  -7.756  -0.016
  726    H    GLN  93           H        GLN  93  -2.431  -4.636   1.552
  727    HA   GLN  93           HA       GLN  93  -3.128  -4.768   4.308
  728   1HB   GLN  93          HB3       GLN  93  -0.751  -4.545   2.986
  729   2HB   GLN  93          HB2       GLN  93  -0.915  -2.912   3.626
  730   1HG   GLN  93          HG2       GLN  93  -0.902  -5.553   5.120
  731   2HG   GLN  93          HG3       GLN  93   0.330  -4.301   5.176
  732   1HE2  GLN  93          2HE2      GLN  93  -0.301  -2.198   6.335
  733   2HE2  GLN  93          1HE2      GLN  93  -1.587  -2.324   7.560
  734    H    ARG  94           H        ARG  94  -3.581  -2.187   1.932
  735    HA   ARG  94           HA       ARG  94  -4.339  -0.125   3.803
  736   1HB   ARG  94          HB2       ARG  94  -4.989  -0.512   0.866
  737   2HB   ARG  94          HB3       ARG  94  -5.440   0.899   1.805
  738   1HG   ARG  94          HG2       ARG  94  -2.568  -0.008   1.300
  739   2HG   ARG  94          HG3       ARG  94  -3.416   1.297   0.478
  740   1HD   ARG  94          HD2       ARG  94  -2.636   1.130   3.416
  741   2HD   ARG  94          HD3       ARG  94  -1.895   2.138   2.136
  742    HE   ARG  94           HE       ARG  94  -4.516   2.874   2.084
  743   1HH1  ARG  94          2HH1      ARG  94  -2.092   3.147   4.540
  744   2HH1  ARG  94          1HH1      ARG  94  -3.038   4.323   5.474
  745   1HH2  ARG  94          1HH2      ARG  94  -5.617   4.144   3.113
  746   2HH2  ARG  94          2HH2      ARG  94  -5.136   5.062   4.512
  747    H    THR  95           H        THR  95  -6.328  -2.395   1.785
  748    HA   THR  95           HA       THR  95  -8.828  -1.718   2.963
  749    HB   THR  95           HB       THR  95  -9.539  -4.104   2.459
  750    HG1  THR  95           HG1      THR  95  -7.182  -4.153   0.956
  751   1HG2  THR  95          1HG2      THR  95  -8.589  -2.576   0.027
  752   2HG2  THR  95          2HG2      THR  95  -9.899  -3.747   0.167
  753   3HG2  THR  95          3HG2      THR  95 -10.050  -2.188   0.980
  754    H    ALA  96           H        ALA  96  -6.450  -4.163   4.047
  755    HA   ALA  96           HA       ALA  96  -7.712  -5.022   6.389
  756   1HB   ALA  96          HB1       ALA  96  -5.781  -6.118   5.328
  757   2HB   ALA  96          HB2       ALA  96  -4.744  -4.775   5.829
  758   3HB   ALA  96          HB3       ALA  96  -5.512  -5.805   7.054
  759    H    LYS  97           H        LYS  97  -5.173  -2.439   6.149
  760    HA   LYS  97           HA       LYS  97  -5.150  -1.356   8.702
  761   1HB   LYS  97          HB2       LYS  97  -3.623  -0.317   7.290
  762   2HB   LYS  97          HB3       LYS  97  -4.740  -0.264   5.952
  763   1HG   LYS  97          HG2       LYS  97  -4.245   1.954   6.538
  764   2HG   LYS  97          HG3       LYS  97  -5.931   1.642   6.887
  765   1HD   LYS  97          HD2       LYS  97  -5.022   1.247   9.357
  766   2HD   LYS  97          HD3       LYS  97  -3.615   2.146   8.766
  767   1HE   LYS  97          HE2       LYS  97  -5.328   3.880   7.894
  768   2HE   LYS  97          HE3       LYS  97  -6.516   3.046   8.885
  769   1HZ   LYS  97          HZ1       LYS  97  -5.152   3.553  10.830
  770   2HZ   LYS  97          HZ2       LYS  97  -4.060   4.369   9.887
  771   3HZ   LYS  97          HZ3       LYS  97  -5.591   4.900  10.040
  772    H    TYR  98           H        TYR  98  -7.501  -0.458   6.130
  773    HA   TYR  98           HA       TYR  98  -9.004   1.191   7.920
  774   1HB   TYR  98          HB2       TYR  98  -9.750  -0.171   5.317
  775   2HB   TYR  98          HB3       TYR  98 -10.866   0.873   6.197
  776    HD1  TYR  98           HD1      TYR  98  -9.235   3.157   7.084
  777    HD2  TYR  98           HD2      TYR  98  -9.144   0.910   3.427
  778    HE1  TYR  98           HE1      TYR  98  -8.295   5.133   5.936
  779    HE2  TYR  98           HE2      TYR  98  -8.412   2.953   2.194
  780    HH   TYR  98           HH       TYR  98  -8.208   6.111   3.559
  781    H    VAL  99           H        VAL  99  -9.923  -2.190   6.843
  782    HA   VAL  99           HA       VAL  99 -12.181  -2.211   8.561
  783    HB   VAL  99           HB       VAL  99 -12.238  -4.649   8.422
  784   1HG1  VAL  99          1HG1      VAL  99 -13.244  -3.407   6.661
  785   2HG1  VAL  99          2HG1      VAL  99 -11.681  -3.184   5.821
  786   3HG1  VAL  99          3HG1      VAL  99 -12.414  -4.799   5.943
  787   1HG2  VAL  99          1HG2      VAL  99 -10.601  -5.882   7.081
  788   2HG2  VAL  99          2HG2      VAL  99  -9.629  -4.420   6.895
  789   3HG2  VAL  99          3HG2      VAL  99  -9.829  -5.171   8.510
  790    H    ALA 100           H        ALA 100  -8.838  -2.884   9.479
  791    HA   ALA 100           HA       ALA 100  -9.699  -3.729  12.144
  792   1HB   ALA 100          HB1       ALA 100  -6.918  -3.350  10.952
  793   2HB   ALA 100          HB2       ALA 100  -7.283  -4.154  12.484
  794   3HB   ALA 100          HB3       ALA 100  -7.838  -4.868  10.946
  795    H    ASN 101           H        ASN 101  -8.509  -0.673  10.815
  796    HA   ASN 101           HA       ASN 101  -8.438   0.387  13.624
  797   1HB   ASN 101          HB2       ASN 101  -6.180  -0.109  12.941
  798   2HB   ASN 101          HB3       ASN 101  -6.393   0.711  11.404
  799   1HD2  ASN 101          2HD2      ASN 101  -6.667   1.510  14.958
  800   2HD2  ASN 101          1HD2      ASN 101  -5.913   3.094  14.682
  801    H    GLN 102           H        GLN 102  -9.537   1.042  10.410
  802    HA   GLN 102           HA       GLN 102 -10.961   3.412  11.320
  803   1HB   GLN 102          HB2       GLN 102  -8.795   3.592   9.197
  804   2HB   GLN 102          HB3       GLN 102 -10.211   4.658   9.167
  805   1HG   GLN 102          HG2       GLN 102  -9.621   5.456  11.468
  806   2HG   GLN 102          HG3       GLN 102  -8.171   4.437  11.416
  807   1HE2  GLN 102          2HE2      GLN 102  -9.773   7.209   9.674
  808   2HE2  GLN 102          1HE2      GLN 102  -8.199   7.820   9.124
  809    HA   PRO 103           HA       PRO 103 -12.767   0.156   8.583
  810   1HB   PRO 103          HB2       PRO 103 -15.009  -0.511   9.971
  811   2HB   PRO 103          HB3       PRO 103 -13.375  -1.016  10.469
  812   1HG   PRO 103          HG2       PRO 103 -14.922   1.399  11.452
  813   2HG   PRO 103          HG3       PRO 103 -14.157   0.113  12.446
  814   1HD   PRO 103          HD2       PRO 103 -12.877   2.426  11.981
  815   2HD   PRO 103          HD3       PRO 103 -11.990   0.875  11.944
  816    H    GLY 104           H        GLY 104 -12.846   2.151   7.248
  817   1HA   GLY 104          HA2       GLY 104 -13.922   3.142   5.451
  818   2HA   GLY 104          HA3       GLY 104 -15.205   1.983   5.703
  819    H    MET 105           H        MET 105 -14.638   4.136   8.336
  820    HA   MET 105           HA       MET 105 -17.260   4.901   8.566
  821   1HB   MET 105          HB2       MET 105 -16.518   6.396  10.323
  822   2HB   MET 105          HB3       MET 105 -15.652   4.874  10.396
  823   1HG   MET 105          HG2       MET 105 -14.493   7.414   9.147
  824   2HG   MET 105          HG3       MET 105 -14.300   6.938  10.827
  825   1HE   MET 105          HE1       MET 105 -11.628   5.777   7.397
  826   2HE   MET 105          HE2       MET 105 -13.354   6.057   7.069
  827   3HE   MET 105          HE3       MET 105 -12.380   7.328   7.828
  828    H    GLN 106           H        GLN 106 -15.168   6.269   6.273
  829    HA   GLN 106           HA       GLN 106 -17.156   8.136   5.394
  830   1HB   GLN 106          HB2       GLN 106 -15.927   9.665   6.835
  831   2HB   GLN 106          HB3       GLN 106 -14.379   9.095   6.221
  832   1HG   GLN 106          HG2       GLN 106 -14.933  11.283   5.314
  833   2HG   GLN 106          HG3       GLN 106 -14.806  10.091   4.031
  834   1HE2  GLN 106          2HE2      GLN 106 -16.987   9.191   3.214
  835   2HE2  GLN 106          1HE2      GLN 106 -18.322  10.362   3.193
  Start of MODEL   15
    1   1H    GLU   1          H1        GLU   1  17.110  -9.254  -6.900
    2   2H    GLU   1          H2        GLU   1  15.914  -8.269  -7.549
    3   3H    GLU   1          H3        GLU   1  15.565  -9.591  -6.645
    4    HA   GLU   1           HA       GLU   1  15.165  -9.853  -9.022
    5   1HB   GLU   1          HB2       GLU   1  17.325  -8.450  -9.477
    6   2HB   GLU   1          HB3       GLU   1  18.128 -10.018  -9.409
    7   1HG   GLU   1          HG2       GLU   1  17.688  -9.564 -11.681
    8   2HG   GLU   1          HG3       GLU   1  16.552 -10.825 -11.218
    9    H    GLY   2           H        GLY   2  16.775 -11.366  -6.335
   10   1HA   GLY   2          HA2       GLY   2  16.692 -14.047  -7.482
   11   2HA   GLY   2          HA3       GLY   2  16.994 -13.571  -5.801
   12    H    GLN   3           H        GLN   3  14.329 -11.900  -6.600
   13    HA   GLN   3           HA       GLN   3  12.187 -11.850  -6.248
   14   1HB   GLN   3          HB2       GLN   3  12.091 -13.632  -7.965
   15   2HB   GLN   3          HB3       GLN   3  12.000 -14.826  -6.652
   16   1HG   GLN   3          HG2       GLN   3   9.852 -14.048  -5.965
   17   2HG   GLN   3          HG3       GLN   3  10.047 -12.491  -6.774
   18   1HE2  GLN   3          2HE2      GLN   3   9.994 -12.435  -9.187
   19   2HE2  GLN   3          1HE2      GLN   3   9.047 -13.717  -9.968
   20    H    SER   4           H        SER   4  13.907 -14.198  -4.380
   21    HA   SER   4           HA       SER   4  12.347 -14.169  -1.960
   22   1HB   SER   4          HB2       SER   4  15.371 -14.377  -2.375
   23   2HB   SER   4          HB3       SER   4  14.510 -14.783  -0.872
   24    HG   SER   4           HG       SER   4  14.265 -16.064  -3.398
   25    H    ASP   5           H        ASP   5  14.203 -11.673  -3.535
   26    HA   ASP   5           HA       ASP   5  14.634 -10.013  -1.155
   27   1HB   ASP   5          HB2       ASP   5  15.741  -8.552  -2.946
   28   2HB   ASP   5          HB3       ASP   5  16.537 -10.047  -2.478
   29    H    GLU   6           H        GLU   6  13.060  -9.999  -4.376
   30    HA   GLU   6           HA       GLU   6  11.392  -7.841  -4.166
   31   1HB   GLU   6          HB2       GLU   6  11.575  -9.327  -6.137
   32   2HB   GLU   6          HB3       GLU   6  10.603 -10.534  -5.298
   33   1HG   GLU   6          HG2       GLU   6   9.236  -9.285  -6.863
   34   2HG   GLU   6          HG3       GLU   6   8.705  -9.041  -5.191
   35    H    ARG   7           H        ARG   7  10.602 -11.116  -2.920
   36    HA   ARG   7           HA       ARG   7   8.038 -10.275  -1.963
   37   1HB   ARG   7          HB2       ARG   7   9.343 -12.727  -2.129
   38   2HB   ARG   7          HB3       ARG   7   9.190 -12.511  -0.386
   39   1HG   ARG   7          HG2       ARG   7   6.964 -12.456  -2.460
   40   2HG   ARG   7          HG3       ARG   7   7.273 -13.727  -1.291
   41   1HD   ARG   7          HD2       ARG   7   6.249 -10.910  -0.719
   42   2HD   ARG   7          HD3       ARG   7   5.323 -12.383  -0.648
   43    HE   ARG   7           HE       ARG   7   6.749 -11.220   1.453
   44   1HH1  ARG   7          2HH2      ARG   7   6.432 -14.532   0.310
   45   2HH1  ARG   7          1HH2      ARG   7   6.505 -15.136   1.959
   46   1HH2  ARG   7          2HH1      ARG   7   6.733 -11.943   3.261
   47   2HH2  ARG   7          1HH1      ARG   7   6.752 -13.641   3.731
   48    H    ALA   8           H        ALA   8  11.106 -10.464  -0.142
   49    HA   ALA   8           HA       ALA   8   9.933  -9.478   2.325
   50   1HB   ALA   8          HB1       ALA   8  12.059 -10.710   2.267
   51   2HB   ALA   8          HB2       ALA   8  12.813  -9.428   1.289
   52   3HB   ALA   8          HB3       ALA   8  12.323  -9.109   2.969
   53    H    LEU   9           H        LEU   9  11.433  -7.744  -0.549
   54    HA   LEU   9           HA       LEU   9  11.185  -5.324   0.993
   55   1HB   LEU   9          HB2       LEU   9  12.631  -4.413  -0.170
   56   2HB   LEU   9          HB3       LEU   9  12.930  -5.966  -0.878
   57    HG   LEU   9           HG       LEU   9  12.979  -4.090  -2.408
   58   1HD1  LEU   9          1HD1      LEU   9  11.926  -5.191  -4.233
   59   2HD1  LEU   9          2HD1      LEU   9  12.582  -6.413  -3.128
   60   3HD1  LEU   9          3HD1      LEU   9  10.839  -6.062  -3.131
   61   1HD2  LEU   9          1HD2      LEU   9   9.965  -3.828  -2.321
   62   2HD2  LEU   9          2HD2      LEU   9  11.074  -2.759  -1.408
   63   3HD2  LEU   9          3HD2      LEU   9  11.115  -2.843  -3.177
   64    H    LEU  10           H        LEU  10   9.178  -6.912  -1.421
   65    HA   LEU  10           HA       LEU  10   7.105  -5.024  -1.884
   66   1HB   LEU  10          HB2       LEU  10   7.315  -7.040  -3.170
   67   2HB   LEU  10          HB3       LEU  10   7.373  -8.025  -1.704
   68    HG   LEU  10           HG       LEU  10   5.000  -7.655  -1.291
   69   1HD1  LEU  10          1HD1      LEU  10   3.592  -6.835  -3.149
   70   2HD1  LEU  10          2HD1      LEU  10   4.657  -5.573  -2.515
   71   3HD1  LEU  10          3HD1      LEU  10   5.063  -6.365  -4.056
   72   1HD2  LEU  10          1HD2      LEU  10   4.282  -9.218  -2.981
   73   2HD2  LEU  10          2HD2      LEU  10   5.649  -8.751  -4.054
   74   3HD2  LEU  10          3HD2      LEU  10   5.928  -9.625  -2.537
   75    H    ASP  11           H        ASP  11   7.535  -7.489   0.700
   76    HA   ASP  11           HA       ASP  11   5.286  -6.730   2.211
   77   1HB   ASP  11          HB2       ASP  11   7.860  -8.150   2.894
   78   2HB   ASP  11          HB3       ASP  11   6.751  -7.720   4.180
   79    H    GLN  12           H        GLN  12   8.671  -5.490   2.814
   80    HA   GLN  12           HA       GLN  12   7.579  -3.636   4.710
   81   1HB   GLN  12          HB2       GLN  12   9.735  -2.636   4.892
   82   2HB   GLN  12          HB3       GLN  12   9.907  -4.376   4.754
   83   1HG   GLN  12          HG2       GLN  12  11.639  -3.598   3.505
   84   2HG   GLN  12          HG3       GLN  12  10.425  -4.111   2.345
   85   1HE2  GLN  12          2HE2      GLN  12  10.008  -2.711   0.676
   86   2HE2  GLN  12          1HE2      GLN  12  10.570  -1.019   0.698
   87    H    LEU  13           H        LEU  13   7.726  -3.399   1.209
   88    HA   LEU  13           HA       LEU  13   7.268  -0.559   1.217
   89   1HB   LEU  13          HB2       LEU  13   8.432  -1.927  -0.569
   90   2HB   LEU  13          HB3       LEU  13   6.876  -2.575  -1.045
   91    HG   LEU  13           HG       LEU  13   6.160  -0.361  -1.809
   92   1HD1  LEU  13          1HD1      LEU  13   7.752   1.579  -1.725
   93   2HD1  LEU  13          2HD1      LEU  13   7.088   1.124  -0.171
   94   3HD1  LEU  13          3HD1      LEU  13   8.768   0.660  -0.588
   95   1HD2  LEU  13          1HD2      LEU  13   7.687  -1.788  -3.255
   96   2HD2  LEU  13          2HD2      LEU  13   7.786  -0.042  -3.605
   97   3HD2  LEU  13          3HD2      LEU  13   9.055  -0.852  -2.666
   98    H    HIS  14           H        HIS  14   5.054  -3.443   0.898
   99    HA   HIS  14           HA       HIS  14   2.744  -1.661   0.646
  100   1HB   HIS  14          HB2       HIS  14   1.336  -3.511   0.708
  101   2HB   HIS  14          HB3       HIS  14   2.721  -4.002  -0.253
  102    HD2  HIS  14           HD2      HIS  14   3.458  -6.418   0.257
  103    HE1  HIS  14           HE1      HIS  14   2.136  -6.760   4.290
  104    HE2  HIS  14           HE2      HIS  14   3.350  -7.952   2.366
  105    H    THR  15           H        THR  15   4.470  -3.156   3.322
  106    HA   THR  15           HA       THR  15   2.809  -2.242   5.462
  107    HB   THR  15           HB       THR  15   5.848  -2.298   5.543
  108    HG1  THR  15           HG1      THR  15   5.102  -4.337   4.908
  109   1HG2  THR  15          1HG2      THR  15   4.788  -1.244   7.507
  110   2HG2  THR  15          2HG2      THR  15   3.723  -2.661   7.691
  111   3HG2  THR  15          3HG2      THR  15   5.466  -2.834   7.926
  112    H    LEU  16           H        LEU  16   5.676  -0.527   4.060
  113    HA   LEU  16           HA       LEU  16   5.374   1.911   5.352
  114   1HB   LEU  16          HB2       LEU  16   7.234   1.324   3.763
  115   2HB   LEU  16          HB3       LEU  16   6.075   1.243   2.458
  116    HG   LEU  16           HG       LEU  16   5.621   3.809   3.065
  117   1HD1  LEU  16          1HD1      LEU  16   8.458   3.371   4.075
  118   2HD1  LEU  16          2HD1      LEU  16   7.718   4.954   3.718
  119   3HD1  LEU  16          3HD1      LEU  16   7.071   3.933   5.019
  120   1HD2  LEU  16          1HD2      LEU  16   7.888   2.627   1.461
  121   2HD2  LEU  16          2HD2      LEU  16   6.272   3.074   0.906
  122   3HD2  LEU  16          3HD2      LEU  16   7.426   4.344   1.369
  123    H    LEU  17           H        LEU  17   3.760   0.946   2.270
  124    HA   LEU  17           HA       LEU  17   2.204   3.366   2.098
  125   1HB   LEU  17          HB3       LEU  17   1.922   0.613   0.900
  126   2HB   LEU  17          HB2       LEU  17   0.809   1.960   0.591
  127    HG   LEU  17           HG       LEU  17   3.722   2.500   0.163
  128   1HD1  LEU  17          1HD2      LEU  17   3.421   0.303  -0.958
  129   2HD1  LEU  17          2HD2      LEU  17   3.711   1.616  -2.111
  130   3HD1  LEU  17          3HD2      LEU  17   2.066   0.971  -1.893
  131   1HD2  LEU  17          1HD1      LEU  17   3.161   4.026  -1.400
  132   2HD2  LEU  17          2HD1      LEU  17   1.905   4.221  -0.183
  133   3HD2  LEU  17          3HD1      LEU  17   1.528   3.350  -1.681
  134    H    SER  18           H        SER  18   1.683   0.686   4.195
  135    HA   SER  18           HA       SER  18  -1.195   1.486   4.557
  136   1HB   SER  18          HB2       SER  18  -0.110  -1.278   4.982
  137   2HB   SER  18          HB3       SER  18  -1.791  -0.766   4.728
  138    HG   SER  18           HG       SER  18   0.309  -1.033   2.917
  139    H    ASN  19           H        ASN  19   1.488   1.963   6.011
  140    HA   ASN  19           HA       ASN  19   1.856   0.829   8.419
  141   1HB   ASN  19          HB2       ASN  19   3.297   2.747   8.798
  142   2HB   ASN  19          HB3       ASN  19   3.301   2.382   7.096
  143   1HD2  ASN  19          2HD2      ASN  19   2.810   4.095   5.708
  144   2HD2  ASN  19          1HD2      ASN  19   2.100   5.616   6.264
  145    H    THR  20           H        THR  20  -0.856   2.515   7.872
  146    HA   THR  20           HA       THR  20  -2.713   2.713   9.267
  147    HB   THR  20           HB       THR  20  -2.679   3.816  11.479
  148    HG1  THR  20           HG1      THR  20   0.056   3.304  11.296
  149   1HG2  THR  20          1HG2      THR  20  -2.949   1.406  11.283
  150   2HG2  THR  20          2HG2      THR  20  -1.194   1.165  11.269
  151   3HG2  THR  20          3HG2      THR  20  -1.969   1.798  12.722
  152    H    ASP  21           H        ASP  21  -0.283   5.120   8.386
  153    HA   ASP  21           HA       ASP  21  -1.978   7.378   8.579
  154   1HB   ASP  21          HB2       ASP  21   0.446   7.487   8.143
  155   2HB   ASP  21          HB3       ASP  21   0.192   6.779   6.546
  156    H    ALA  22           H        ALA  22  -3.054   8.485   7.065
  157    HA   ALA  22           HA       ALA  22  -3.924   7.355   4.498
  158   1HB   ALA  22          HB1       ALA  22  -6.013   8.148   6.571
  159   2HB   ALA  22          HB2       ALA  22  -6.326   7.666   4.896
  160   3HB   ALA  22          HB3       ALA  22  -5.649   6.495   6.045
  161    H    THR  23           H        THR  23  -2.721   9.970   6.138
  162    HA   THR  23           HA       THR  23  -4.360  12.094   5.762
  163    HB   THR  23           HB       THR  23  -1.317  12.182   5.602
  164    HG1  THR  23           HG1      THR  23  -1.832  11.039   7.403
  165   1HG2  THR  23          1HG2      THR  23  -2.310  14.382   5.192
  166   2HG2  THR  23          2HG2      THR  23  -3.367  14.193   6.618
  167   3HG2  THR  23          3HG2      THR  23  -1.614  14.326   6.829
  168    H    GLY  24           H        GLY  24  -1.707  11.490   3.412
  169   1HA   GLY  24          HA2       GLY  24  -3.442  12.821   1.355
  170   2HA   GLY  24          HA3       GLY  24  -1.687  12.705   1.261
  171    H    LEU  25           H        LEU  25  -2.192   9.847   2.424
  172    HA   LEU  25           HA       LEU  25  -2.219   8.280   0.007
  173   1HB   LEU  25          HB2       LEU  25  -2.607   7.704   2.932
  174   2HB   LEU  25          HB3       LEU  25  -2.915   6.433   1.764
  175    HG   LEU  25           HG       LEU  25  -0.286   7.910   1.541
  176   1HD1  LEU  25          1HD1      LEU  25  -0.768   5.769   3.652
  177   2HD1  LEU  25          2HD1      LEU  25   0.769   6.564   3.271
  178   3HD1  LEU  25          3HD1      LEU  25  -0.546   7.498   3.975
  179   1HD2  LEU  25          1HD2      LEU  25  -1.141   4.990   1.290
  180   2HD2  LEU  25          2HD2      LEU  25  -1.017   6.145  -0.055
  181   3HD2  LEU  25          3HD2      LEU  25   0.436   5.670   0.840
  182    H    GLU  26           H        GLU  26  -4.866   9.521   2.056
  183    HA   GLU  26           HA       GLU  26  -7.046   8.170   1.048
  184   1HB   GLU  26          HB2       GLU  26  -8.367  10.075   1.585
  185   2HB   GLU  26          HB3       GLU  26  -7.094   9.939   2.774
  186   1HG   GLU  26          HG2       GLU  26  -7.222  12.207   2.407
  187   2HG   GLU  26          HG3       GLU  26  -5.777  11.695   1.546
  188    H    GLU  27           H        GLU  27  -5.088  10.606  -0.772
  189    HA   GLU  27           HA       GLU  27  -6.890  10.751  -2.975
  190   1HB   GLU  27          HB2       GLU  27  -5.101  12.376  -2.720
  191   2HB   GLU  27          HB3       GLU  27  -3.879  11.114  -2.963
  192   1HG   GLU  27          HG2       GLU  27  -4.249  10.918  -5.207
  193   2HG   GLU  27          HG3       GLU  27  -5.959  11.263  -5.118
  194    H    ILE  28           H        ILE  28  -4.051   8.717  -2.411
  195    HA   ILE  28           HA       ILE  28  -4.174   7.443  -5.013
  196    HB   ILE  28           HB       ILE  28  -2.823   6.254  -2.585
  197   1HG1  ILE  28          2HG1      ILE  28  -2.099   8.563  -2.416
  198   2HG1  ILE  28          3HG1      ILE  28  -0.787   7.548  -2.952
  199   1HG2  ILE  28          1HG2      ILE  28  -2.818   5.103  -4.853
  200   2HG2  ILE  28          2HG2      ILE  28  -1.948   6.469  -5.520
  201   3HG2  ILE  28          3HG2      ILE  28  -1.190   5.491  -4.244
  202   1HD1  ILE  28          1HD1      ILE  28  -0.958   8.449  -5.227
  203   2HD1  ILE  28          2HD1      ILE  28  -2.424   9.361  -4.787
  204   3HD1  ILE  28          3HD1      ILE  28  -0.874   9.765  -4.028
  205    H    ASP  29           H        ASP  29  -5.519   6.833  -1.820
  206    HA   ASP  29           HA       ASP  29  -6.562   4.192  -2.300
  207   1HB   ASP  29          HB2       ASP  29  -7.331   6.397  -0.347
  208   2HB   ASP  29          HB3       ASP  29  -8.046   4.793  -0.316
  209    H    ARG  30           H        ARG  30  -8.154   7.506  -2.406
  210    HA   ARG  30           HA       ARG  30 -10.607   6.462  -3.469
  211   1HB   ARG  30          HB2       ARG  30 -11.323   8.695  -3.872
  212   2HB   ARG  30          HB3       ARG  30 -10.515   8.608  -2.311
  213   1HG   ARG  30          HG2       ARG  30  -8.537   9.628  -3.212
  214   2HG   ARG  30          HG3       ARG  30  -9.209   9.757  -4.823
  215   1HD   ARG  30          HD2       ARG  30 -10.581  11.569  -4.226
  216   2HD   ARG  30          HD3       ARG  30 -10.804  10.957  -2.579
  217    HE   ARG  30           HE       ARG  30  -8.937  12.080  -1.842
  218   1HH1  ARG  30          1HH2      ARG  30  -8.725  12.401  -5.378
  219   2HH1  ARG  30          2HH2      ARG  30  -7.335  13.476  -5.116
  220   1HH2  ARG  30          2HH1      ARG  30  -7.198  13.451  -1.844
  221   2HH2  ARG  30          1HH1      ARG  30  -6.602  13.969  -3.398
  222    H    ALA  31           H        ALA  31  -7.702   7.660  -5.140
  223    HA   ALA  31           HA       ALA  31  -8.647   7.512  -7.801
  224   1HB   ALA  31          HB1       ALA  31  -6.244   7.311  -8.367
  225   2HB   ALA  31          HB2       ALA  31  -6.517   8.539  -7.109
  226   3HB   ALA  31          HB3       ALA  31  -5.868   6.952  -6.667
  227    H    LEU  32           H        LEU  32  -7.998   4.875  -5.578
  228    HA   LEU  32           HA       LEU  32  -8.397   2.887  -7.763
  229   1HB   LEU  32          HB2       LEU  32  -6.884   2.553  -5.145
  230   2HB   LEU  32          HB3       LEU  32  -7.075   1.341  -6.410
  231    HG   LEU  32           HG       LEU  32  -5.634   4.025  -6.788
  232   1HD1  LEU  32          1HD1      LEU  32  -4.694   2.546  -4.980
  233   2HD1  LEU  32          2HD1      LEU  32  -4.387   1.318  -6.227
  234   3HD1  LEU  32          3HD1      LEU  32  -3.600   2.936  -6.302
  235   1HD2  LEU  32          1HD2      LEU  32  -4.684   3.042  -8.746
  236   2HD2  LEU  32          2HD2      LEU  32  -5.423   1.456  -8.413
  237   3HD2  LEU  32          3HD2      LEU  32  -6.435   2.849  -8.864
  238    H    GLY  33           H        GLY  33 -10.300   4.457  -5.799
  239   1HA   GLY  33          HA2       GLY  33 -12.371   4.075  -4.959
  240   2HA   GLY  33          HA3       GLY  33 -12.309   2.469  -5.706
  241    H    ILE  34           H        ILE  34  -9.812   2.929  -3.423
  242    HA   ILE  34           HA       ILE  34 -10.467   0.605  -2.070
  243    HB   ILE  34           HB       ILE  34  -8.651   2.783  -1.002
  244   1HG1  ILE  34          2HG1      ILE  34  -8.256   0.438  -2.928
  245   2HG1  ILE  34          3HG1      ILE  34  -8.028   2.146  -3.260
  246   1HG2  ILE  34          1HG2      ILE  34  -8.817  -0.179  -0.399
  247   2HG2  ILE  34          2HG2      ILE  34  -7.611   0.956   0.260
  248   3HG2  ILE  34          3HG2      ILE  34  -9.309   1.122   0.710
  249   1HD1  ILE  34          1HD1      ILE  34  -5.894   1.152  -3.090
  250   2HD1  ILE  34          2HD1      ILE  34  -6.097   2.152  -1.634
  251   3HD1  ILE  34          3HD1      ILE  34  -6.301   0.384  -1.537
  252    HA   PRO  35           HA       PRO  35 -12.510   2.970   1.634
  253   1HB   PRO  35          HB2       PRO  35 -13.619   5.300   0.075
  254   2HB   PRO  35          HB3       PRO  35 -13.185   5.203   1.814
  255   1HG   PRO  35          HG2       PRO  35 -11.465   6.395   0.126
  256   2HG   PRO  35          HG3       PRO  35 -10.830   5.163   1.276
  257   1HD   PRO  35          HD2       PRO  35 -11.632   4.759  -1.629
  258   2HD   PRO  35          HD3       PRO  35 -10.096   4.335  -0.822
  259    H    GLU  36           H        GLU  36 -13.774   2.580  -1.656
  260    HA   GLU  36           HA       GLU  36 -16.399   1.741  -0.565
  261   1HB   GLU  36          HB2       GLU  36 -16.509   3.155  -2.542
  262   2HB   GLU  36          HB3       GLU  36 -15.448   2.066  -3.432
  263   1HG   GLU  36          HG2       GLU  36 -17.806   1.814  -4.072
  264   2HG   GLU  36          HG3       GLU  36 -17.110   0.326  -3.472
  265    H    LEU  37           H        LEU  37 -13.423   0.403  -1.972
  266    HA   LEU  37           HA       LEU  37 -14.327  -2.331  -2.074
  267   1HB   LEU  37          HB2       LEU  37 -11.509  -1.361  -1.476
  268   2HB   LEU  37          HB3       LEU  37 -11.985  -2.961  -2.016
  269    HG   LEU  37           HG       LEU  37 -12.233  -0.408  -3.657
  270   1HD1  LEU  37          1HD1      LEU  37 -10.399  -2.821  -3.978
  271   2HD1  LEU  37          2HD1      LEU  37 -10.419  -1.348  -4.983
  272   3HD1  LEU  37          3HD1      LEU  37  -9.903  -1.256  -3.296
  273   1HD2  LEU  37          1HD2      LEU  37 -12.835  -3.293  -4.441
  274   2HD2  LEU  37          2HD2      LEU  37 -14.003  -1.951  -4.337
  275   3HD2  LEU  37          3HD2      LEU  37 -12.727  -1.915  -5.558
  276    H    VAL  38           H        VAL  38 -13.272  -0.319   0.566
  277    HA   VAL  38           HA       VAL  38 -13.193  -2.201   2.723
  278    HB   VAL  38           HB       VAL  38 -13.868   0.749   2.541
  279   1HG1  VAL  38          1HG1      VAL  38 -13.740  -0.889   5.095
  280   2HG1  VAL  38          2HG1      VAL  38 -13.620   0.880   5.011
  281   3HG1  VAL  38          3HG1      VAL  38 -15.104   0.094   4.482
  282   1HG2  VAL  38          1HG2      VAL  38 -11.486  -0.720   3.759
  283   2HG2  VAL  38          2HG2      VAL  38 -11.490   0.083   2.186
  284   3HG2  VAL  38          3HG2      VAL  38 -11.720   1.054   3.624
  285    H    ASN  39           H        ASN  39 -15.959  -0.154   1.611
  286    HA   ASN  39           HA       ASN  39 -17.948  -1.479   3.175
  287   1HB   ASN  39          HB3       ASN  39 -18.340  -0.134   0.467
  288   2HB   ASN  39          HB2       ASN  39 -19.579  -0.449   1.666
  289   1HD2  ASN  39          2HD2      ASN  39 -18.497   2.158   0.435
  290   2HD2  ASN  39          1HD2      ASN  39 -18.011   3.083   1.865
  291    H    GLN  40           H        GLN  40 -16.678  -2.100  -0.017
  292    HA   GLN  40           HA       GLN  40 -16.257  -3.937  -1.178
  293   1HB   GLN  40          HB2       GLN  40 -18.290  -5.248  -1.879
  294   2HB   GLN  40          HB3       GLN  40 -19.231  -4.309  -0.726
  295   1HG   GLN  40          HG2       GLN  40 -18.351  -2.199  -1.941
  296   2HG   GLN  40          HG3       GLN  40 -17.654  -3.286  -3.140
  297   1HE2  GLN  40          2HE2      GLN  40 -20.084  -1.197  -2.912
  298   2HE2  GLN  40          1HE2      GLN  40 -21.335  -2.103  -3.781
  299    H    GLY  41           H        GLY  41 -16.046  -4.238   1.879
  300   1HA   GLY  41          HA2       GLY  41 -15.279  -5.804   3.332
  301   2HA   GLY  41          HA3       GLY  41 -16.247  -7.036   2.493
  302    H    GLN  42           H        GLN  42 -14.052  -5.359   0.457
  303    HA   GLN  42           HA       GLN  42 -12.944  -7.806  -0.415
  304   1HB   GLN  42          HB2       GLN  42 -12.032  -4.957  -0.988
  305   2HB   GLN  42          HB3       GLN  42 -11.533  -6.384  -1.886
  306   1HG   GLN  42          HG2       GLN  42 -14.395  -5.307  -1.708
  307   2HG   GLN  42          HG3       GLN  42 -13.322  -5.234  -3.100
  308   1HE2  GLN  42          2HE2      GLN  42 -15.700  -7.273  -1.434
  309   2HE2  GLN  42          1HE2      GLN  42 -15.196  -8.731  -2.250
  310    H    ALA  43           H        ALA  43 -11.804  -5.865   2.180
  311    HA   ALA  43           HA       ALA  43  -9.050  -6.685   2.231
  312   1HB   ALA  43          HB1       ALA  43  -9.896  -4.924   3.667
  313   2HB   ALA  43          HB2       ALA  43 -11.016  -6.059   4.460
  314   3HB   ALA  43          HB3       ALA  43  -9.270  -6.253   4.678
  315    H    LEU  44           H        LEU  44 -12.043  -8.404   3.250
  316    HA   LEU  44           HA       LEU  44 -10.660 -10.442   4.750
  317   1HB   LEU  44          HB2       LEU  44 -13.520  -9.955   3.805
  318   2HB   LEU  44          HB3       LEU  44 -13.081 -11.358   4.746
  319    HG   LEU  44           HG       LEU  44 -14.155  -9.564   5.981
  320   1HD1  LEU  44          1HD1      LEU  44 -12.756  -9.715   7.979
  321   2HD1  LEU  44          2HD1      LEU  44 -12.785 -11.270   7.123
  322   3HD1  LEU  44          3HD1      LEU  44 -11.362 -10.220   6.987
  323   1HD2  LEU  44          1HD2      LEU  44 -11.569  -7.997   5.867
  324   2HD2  LEU  44          2HD2      LEU  44 -13.082  -7.575   5.001
  325   3HD2  LEU  44          3HD2      LEU  44 -13.026  -7.591   6.775
  326    H    GLU  45           H        GLU  45 -11.605 -10.230   1.386
  327    HA   GLU  45           HA       GLU  45 -12.022 -13.044   0.951
  328   1HB   GLU  45          HB2       GLU  45 -11.605 -10.640  -0.822
  329   2HB   GLU  45          HB3       GLU  45 -11.629 -12.262  -1.506
  330   1HG   GLU  45          HG2       GLU  45 -13.899 -12.622  -0.352
  331   2HG   GLU  45          HG3       GLU  45 -13.875 -10.910   0.083
  332    HA   PRO  46           HA       PRO  46  -7.926 -14.615   0.129
  333   1HB   PRO  46          HB2       PRO  46  -8.294 -16.466  -1.842
  334   2HB   PRO  46          HB3       PRO  46  -8.904 -16.664  -0.170
  335   1HG   PRO  46          HG2       PRO  46 -10.428 -15.617  -2.574
  336   2HG   PRO  46          HG3       PRO  46 -10.919 -16.921  -1.438
  337   1HD   PRO  46          HD2       PRO  46 -11.822 -14.389  -1.118
  338   2HD   PRO  46          HD3       PRO  46 -11.338 -15.375   0.294
  339    H    LYS  47           H        LYS  47  -9.563 -12.725  -2.174
  340    HA   LYS  47           HA       LYS  47  -7.031 -11.942  -3.473
  341   1HB   LYS  47          HB2       LYS  47  -7.973 -11.814  -5.646
  342   2HB   LYS  47          HB3       LYS  47  -8.327 -13.417  -5.032
  343   1HG   LYS  47          HG2       LYS  47 -10.356 -12.902  -5.987
  344   2HG   LYS  47          HG3       LYS  47 -10.665 -12.346  -4.349
  345   1HD   LYS  47          HD2       LYS  47  -9.643 -10.039  -5.450
  346   2HD   LYS  47          HD3       LYS  47 -10.145 -10.802  -6.919
  347   1HE   LYS  47          HE2       LYS  47 -11.877  -9.303  -6.093
  348   2HE   LYS  47          HE3       LYS  47 -12.491 -10.958  -6.018
  349   1HZ   LYS  47          HZ1       LYS  47 -11.194 -10.082  -3.606
  350   2HZ   LYS  47          HZ2       LYS  47 -12.572  -9.245  -3.960
  351   3HZ   LYS  47          HZ3       LYS  47 -12.597 -10.848  -3.808
  352    HT1  PRO  48           H3       PRO  48  15.700  -6.939 -13.099
  353    HT2  PRO  48           H2       PRO  48  15.458  -5.656 -14.138
  354    HA   PRO  48           HA       PRO  48  14.224  -6.212 -11.562
  355   1HB   PRO  48          HB2       PRO  48  13.606  -3.590 -12.948
  356   2HB   PRO  48          HB3       PRO  48  13.640  -4.012 -11.240
  357   1HG   PRO  48          HG2       PRO  48  15.828  -3.096 -12.985
  358   2HG   PRO  48          HG3       PRO  48  15.882  -3.288 -11.223
  359   1HD   PRO  48          HD2       PRO  48  17.323  -4.939 -12.846
  360   2HD   PRO  48          HD3       PRO  48  16.519  -5.576 -11.397
  361    H    ASN  49           H        ASN  49  13.808  -8.113 -13.245
  362    HA   ASN  49           HA       ASN  49  10.942  -7.644 -13.805
  363   1HB   ASN  49          HB2       ASN  49  10.809  -8.193 -15.912
  364   2HB   ASN  49          HB3       ASN  49  12.486  -7.701 -15.968
  365   1HD2  ASN  49          1HD2      ASN  49  10.479 -10.658 -15.270
  366   2HD2  ASN  49          2HD2      ASN  49  11.386 -11.668 -16.407
  367    H    ARG  50           H        ARG  50  13.269  -9.587 -12.282
  368    HA   ARG  50           HA       ARG  50  11.258 -11.711 -11.643
  369   1HB   ARG  50          HB2       ARG  50  14.230 -11.435 -11.077
  370   2HB   ARG  50          HB3       ARG  50  13.228 -12.644 -10.268
  371   1HG   ARG  50          HG2       ARG  50  13.186 -14.024 -12.042
  372   2HG   ARG  50          HG3       ARG  50  12.904 -12.738 -13.202
  373   1HD   ARG  50          HD2       ARG  50  15.612 -13.328 -11.933
  374   2HD   ARG  50          HD3       ARG  50  15.101 -13.978 -13.484
  375    HE   ARG  50           HE       ARG  50  15.991 -11.250 -12.929
  376   1HH1  ARG  50          1HH2      ARG  50  14.225 -13.149 -15.358
  377   2HH1  ARG  50          2HH2      ARG  50  14.011 -11.666 -16.313
  378   1HH2  ARG  50          1HH1      ARG  50  15.539  -9.547 -14.227
  379   2HH2  ARG  50          2HH1      ARG  50  14.759  -9.835 -15.785
  380    H    SER  51           H        SER  51  13.061  -8.989 -10.429
  381    HA   SER  51           HA       SER  51  11.219  -8.637  -8.164
  382   1HB   SER  51          HB2       SER  51  12.995  -7.301  -7.084
  383   2HB   SER  51          HB3       SER  51  13.517  -8.946  -7.352
  384    HG   SER  51           HG       SER  51  14.427  -7.865  -9.454
  385    H    ILE  52           H        ILE  52   9.758  -7.160  -8.726
  386    HA   ILE  52           HA       ILE  52  10.341  -5.245 -10.906
  387    HB   ILE  52           HB       ILE  52   7.562  -5.165  -9.996
  388   1HG1  ILE  52          2HG1      ILE  52   6.988  -7.333 -11.321
  389   2HG1  ILE  52          3HG1      ILE  52   8.584  -7.885 -10.932
  390   1HG2  ILE  52          1HG2      ILE  52   7.198  -5.270 -12.416
  391   2HG2  ILE  52          2HG2      ILE  52   8.500  -4.153 -12.028
  392   3HG2  ILE  52          3HG2      ILE  52   8.895  -5.766 -12.647
  393   1HD1  ILE  52          1HD1      ILE  52   7.069  -8.807  -9.311
  394   2HD1  ILE  52          2HD1      ILE  52   7.932  -7.522  -8.429
  395   3HD1  ILE  52          3HD1      ILE  52   6.287  -7.253  -9.040
  396    H    SER  53           H        SER  53  10.464  -5.277  -7.528
  397    HA   SER  53           HA       SER  53  10.128  -2.314  -7.504
  398   1HB   SER  53          HB2       SER  53   9.620  -2.426  -5.123
  399   2HB   SER  53          HB3       SER  53   8.391  -3.152  -6.111
  400    HG   SER  53           HG       SER  53   9.148  -5.221  -5.423
  401    HA   PRO  54           HA       PRO  54  14.410  -3.031  -5.458
  402   1HB   PRO  54          HB2       PRO  54  16.288  -3.334  -7.370
  403   2HB   PRO  54          HB3       PRO  54  15.440  -4.740  -6.643
  404   1HG   PRO  54          HG2       PRO  54  14.705  -3.257  -9.193
  405   2HG   PRO  54          HG3       PRO  54  15.001  -5.018  -9.020
  406   1HD   PRO  54          HD2       PRO  54  12.530  -3.986  -8.971
  407   2HD   PRO  54          HD3       PRO  54  12.958  -5.281  -7.792
  408    H    SER  55           H        SER  55  13.185  -1.458  -8.321
  409    HA   SER  55           HA       SER  55  14.750   1.009  -8.060
  410   1HB   SER  55          HB2       SER  55  13.144   1.713  -9.899
  411   2HB   SER  55          HB3       SER  55  14.064   0.242 -10.276
  412    HG   SER  55           HG       SER  55  11.754   0.072 -10.690
  413    H    ALA  56           H        ALA  56  11.328   0.125  -7.725
  414    HA   ALA  56           HA       ALA  56  10.429   2.404  -6.347
  415   1HB   ALA  56          HB1       ALA  56   9.505  -0.510  -6.208
  416   2HB   ALA  56          HB2       ALA  56   8.524   0.856  -5.684
  417   3HB   ALA  56          HB3       ALA  56   8.972   0.700  -7.397
  418    H    LEU  57           H        LEU  57  12.156  -0.378  -5.019
  419    HA   LEU  57           HA       LEU  57  11.994   0.050  -2.271
  420   1HB   LEU  57          HB2       LEU  57  13.049  -1.927  -3.321
  421   2HB   LEU  57          HB3       LEU  57  14.142  -0.878  -4.213
  422    HG   LEU  57           HG       LEU  57  15.425  -0.381  -2.188
  423   1HD1  LEU  57          1HD1      LEU  57  13.675  -0.710  -0.461
  424   2HD1  LEU  57          2HD1      LEU  57  13.604  -2.434  -0.872
  425   3HD1  LEU  57          3HD1      LEU  57  15.072  -1.769  -0.157
  426   1HD2  LEU  57          1HD2      LEU  57  16.459  -2.628  -2.070
  427   2HD2  LEU  57          2HD2      LEU  57  15.054  -3.317  -2.911
  428   3HD2  LEU  57          3HD2      LEU  57  16.088  -2.137  -3.728
  429    H    GLN  58           H        GLN  58  13.772   1.859  -4.723
  430    HA   GLN  58           HA       GLN  58  15.051   3.579  -2.660
  431   1HB   GLN  58          HB2       GLN  58  15.241   3.546  -5.709
  432   2HB   GLN  58          HB3       GLN  58  16.127   4.631  -4.653
  433   1HG   GLN  58          HG2       GLN  58  17.509   2.939  -3.810
  434   2HG   GLN  58          HG3       GLN  58  16.403   1.623  -4.239
  435   1HE2  GLN  58          2HE2      GLN  58  16.599   0.589  -6.328
  436   2HE2  GLN  58          1HE2      GLN  58  17.845   1.212  -7.425
  437    H    ASP  59           H        ASP  59  13.010   3.903  -5.615
  438    HA   ASP  59           HA       ASP  59  12.402   6.617  -4.902
  439   1HB   ASP  59          HB2       ASP  59  12.547   5.176  -7.273
  440   2HB   ASP  59          HB3       ASP  59  10.825   5.280  -7.091
  441    H    LEU  60           H        LEU  60  10.342   3.695  -4.637
  442    HA   LEU  60           HA       LEU  60   7.928   5.350  -4.336
  443   1HB   LEU  60          HB2       LEU  60   8.144   2.968  -5.369
  444   2HB   LEU  60          HB3       LEU  60   8.064   2.394  -3.724
  445    HG   LEU  60           HG       LEU  60   6.011   4.159  -5.185
  446   1HD1  LEU  60          1HD1      LEU  60   4.620   2.091  -5.150
  447   2HD1  LEU  60          2HD1      LEU  60   6.105   1.880  -6.088
  448   3HD1  LEU  60          3HD1      LEU  60   5.975   1.203  -4.437
  449   1HD2  LEU  60          1HD2      LEU  60   4.476   3.562  -3.331
  450   2HD2  LEU  60          2HD2      LEU  60   5.874   2.913  -2.426
  451   3HD2  LEU  60          3HD2      LEU  60   5.777   4.645  -2.863
  452    H    LEU  61           H        LEU  61  10.204   3.394  -2.491
  453    HA   LEU  61           HA       LEU  61   9.312   3.832   0.137
  454   1HB   LEU  61          HB2       LEU  61  11.133   2.261  -0.614
  455   2HB   LEU  61          HB3       LEU  61  12.191   3.652  -0.815
  456    HG   LEU  61           HG       LEU  61  11.932   4.157   1.606
  457   1HD1  LEU  61          1HD1      LEU  61  11.094   2.250   3.086
  458   2HD1  LEU  61          2HD1      LEU  61   9.864   3.188   2.243
  459   3HD1  LEU  61          3HD1      LEU  61  10.325   1.556   1.661
  460   1HD2  LEU  61          1HD2      LEU  61  12.898   1.332   1.079
  461   2HD2  LEU  61          2HD2      LEU  61  13.855   2.812   0.823
  462   3HD2  LEU  61          3HD2      LEU  61  13.358   2.343   2.459
  463    H    ARG  62           H        ARG  62  11.705   5.932  -1.713
  464    HA   ARG  62           HA       ARG  62  11.808   8.105   0.013
  465   1HB   ARG  62          HB2       ARG  62  13.259   7.680  -1.911
  466   2HB   ARG  62          HB3       ARG  62  11.900   7.709  -3.009
  467   1HG   ARG  62          HG2       ARG  62  11.599  10.176  -2.197
  468   2HG   ARG  62          HG3       ARG  62  13.281   9.955  -1.650
  469   1HD   ARG  62          HD2       ARG  62  13.232  11.029  -3.867
  470   2HD   ARG  62          HD3       ARG  62  13.946   9.434  -3.993
  471    HE   ARG  62           HE       ARG  62  12.423   8.995  -5.607
  472   1HH1  ARG  62          1HH2      ARG  62  10.672  11.218  -3.507
  473   2HH1  ARG  62          2HH2      ARG  62   9.180  10.912  -4.420
  474   1HH2  ARG  62          1HH1      ARG  62  10.442   8.804  -6.699
  475   2HH2  ARG  62          2HH1      ARG  62   9.073   9.283  -5.773
  476    H    THR  63           H        THR  63   9.496   7.515  -2.619
  477    HA   THR  63           HA       THR  63   7.965   9.870  -2.439
  478    HB   THR  63           HB       THR  63   7.736   7.189  -3.670
  479    HG1  THR  63           HG1      THR  63   7.043   9.756  -4.631
  480   1HG2  THR  63          1HG2      THR  63   5.243   8.630  -4.255
  481   2HG2  THR  63          2HG2      THR  63   5.748   6.966  -4.412
  482   3HG2  THR  63          3HG2      THR  63   5.327   7.555  -2.819
  483    H    LEU  64           H        LEU  64   7.705   7.135  -0.325
  484    HA   LEU  64           HA       LEU  64   5.504   8.632   1.036
  485   1HB   LEU  64          HB2       LEU  64   5.579   5.911   0.256
  486   2HB   LEU  64          HB3       LEU  64   5.812   5.925   1.997
  487    HG   LEU  64           HG       LEU  64   3.761   7.586   2.044
  488   1HD1  LEU  64          1HD1      LEU  64   3.370   6.181  -0.645
  489   2HD1  LEU  64          2HD1      LEU  64   2.141   7.120   0.196
  490   3HD1  LEU  64          3HD1      LEU  64   3.599   7.930  -0.423
  491   1HD2  LEU  64          1HD2      LEU  64   3.769   5.395   3.014
  492   2HD2  LEU  64          2HD2      LEU  64   2.291   5.533   2.045
  493   3HD2  LEU  64          3HD2      LEU  64   3.697   4.631   1.412
  494    H    LYS  65           H        LYS  65   8.781   7.421   1.543
  495    HA   LYS  65           HA       LYS  65   8.939   7.845   4.348
  496   1HB   LYS  65          HB2       LYS  65  10.905   7.920   2.046
  497   2HB   LYS  65          HB3       LYS  65  11.390   8.659   3.558
  498   1HG   LYS  65          HG2       LYS  65  10.868   6.561   4.787
  499   2HG   LYS  65          HG3       LYS  65  10.487   5.767   3.242
  500   1HD   LYS  65          HD2       LYS  65  12.792   6.213   2.453
  501   2HD   LYS  65          HD3       LYS  65  13.179   7.004   3.980
  502   1HE   LYS  65          HE2       LYS  65  12.300   4.095   3.728
  503   2HE   LYS  65          HE3       LYS  65  13.978   4.640   3.806
  504   1HZ   LYS  65          HZ1       LYS  65  11.930   5.029   5.907
  505   2HZ   LYS  65          HZ2       LYS  65  13.190   3.973   5.969
  506   3HZ   LYS  65          HZ3       LYS  65  13.466   5.599   5.987
  507    H    SER  66           H        SER  66   8.957   9.981   1.570
  508    HA   SER  66           HA       SER  66   8.996  12.497   3.126
  509   1HB   SER  66          HB2       SER  66   8.284  13.467   0.898
  510   2HB   SER  66          HB3       SER  66   9.892  12.777   0.972
  511    HG   SER  66           HG       SER  66   9.065  10.897  -0.082
  512    HA   PRO  67           HA       PRO  67   5.118  10.797   4.372
  513   1HB   PRO  67          HB2       PRO  67   4.528  13.522   5.589
  514   2HB   PRO  67          HB3       PRO  67   4.362  11.917   6.358
  515   1HG   PRO  67          HG2       PRO  67   6.505  13.472   6.913
  516   2HG   PRO  67          HG3       PRO  67   6.738  11.721   6.588
  517   1HD   PRO  67          HD2       PRO  67   7.036  14.046   4.662
  518   2HD   PRO  67          HD3       PRO  67   8.208  12.728   5.020
  519    H    SER  68           H        SER  68   2.973  10.648   4.050
  520    HA   SER  68           HA       SER  68   2.119  11.379   1.535
  521   1HB   SER  68          HB2       SER  68   0.156  10.252   1.932
  522   2HB   SER  68          HB3       SER  68   1.282   9.463   3.026
  523    HG   SER  68           HG       SER  68   0.066  10.087   4.637
  524    H    SER  69           H        SER  69   1.710  13.233   4.427
  525    HA   SER  69           HA       SER  69  -0.464  14.857   3.783
  526   1HB   SER  69          HB2       SER  69   0.482  14.928   5.987
  527   2HB   SER  69          HB3       SER  69   2.030  15.535   5.410
  528    HG   SER  69           HG       SER  69  -0.479  16.878   5.183
  529    HA   PRO  70           HA       PRO  70   1.894  17.865   1.010
  530   1HB   PRO  70          HB2       PRO  70   4.590  17.632   0.557
  531   2HB   PRO  70          HB3       PRO  70   3.892  18.622   1.862
  532   1HG   PRO  70          HG2       PRO  70   4.974  15.799   2.047
  533   2HG   PRO  70          HG3       PRO  70   5.330  17.197   3.126
  534   1HD   PRO  70          HD2       PRO  70   3.486  15.357   3.818
  535   2HD   PRO  70          HD3       PRO  70   3.201  17.093   4.118
  536    H    GLN  71           H        GLN  71   2.879  14.476   1.095
  537    HA   GLN  71           HA       GLN  71   3.375  14.341  -1.775
  538   1HB   GLN  71          HB2       GLN  71   3.796  12.435   0.568
  539   2HB   GLN  71          HB3       GLN  71   3.934  11.862  -1.057
  540   1HG   GLN  71          HG2       GLN  71   5.408  14.403  -0.187
  541   2HG   GLN  71          HG3       GLN  71   6.082  12.803   0.082
  542   1HE2  GLN  71          2HE2      GLN  71   7.486  12.121  -1.484
  543   2HE2  GLN  71          1HE2      GLN  71   7.039  12.315  -3.211
  544    H    GLN  72           H        GLN  72   0.570  14.499  -0.525
  545    HA   GLN  72           HA       GLN  72  -1.173  12.547  -1.237
  546   1HB   GLN  72          HB2       GLN  72  -2.125  14.330  -0.232
  547   2HB   GLN  72          HB3       GLN  72  -1.203  15.517  -1.098
  548   1HG   GLN  72          HG2       GLN  72  -3.578  14.059  -2.356
  549   2HG   GLN  72          HG3       GLN  72  -3.710  15.548  -1.453
  550   1HE2  GLN  72          2HE2      GLN  72  -4.309  15.103  -4.428
  551   2HE2  GLN  72          1HE2      GLN  72  -3.250  16.290  -5.159
  552    H    GLN  73           H        GLN  73   0.620  14.365  -3.639
  553    HA   GLN  73           HA       GLN  73  -1.211  14.026  -5.802
  554   1HB   GLN  73          HB2       GLN  73   1.819  14.244  -6.055
  555   2HB   GLN  73          HB3       GLN  73   0.637  14.545  -7.306
  556   1HG   GLN  73          HG2       GLN  73   1.135  16.681  -6.697
  557   2HG   GLN  73          HG3       GLN  73  -0.287  16.408  -5.692
  558   1HE2  GLN  73          2HE2      GLN  73  -0.012  16.627  -3.406
  559   2HE2  GLN  73          1HE2      GLN  73   1.601  16.724  -2.682
  560    H    GLN  74           H        GLN  74  -0.937  12.827  -7.725
  561    HA   GLN  74           HA       GLN  74  -0.883  10.041  -7.655
  562   1HB   GLN  74          HB2       GLN  74  -0.209  11.862  -9.987
  563   2HB   GLN  74          HB3       GLN  74  -0.786  10.201 -10.104
  564   1HG   GLN  74          HG2       GLN  74  -2.406  12.573  -9.048
  565   2HG   GLN  74          HG3       GLN  74  -2.615  11.705 -10.575
  566   1HE2  GLN  74          2HE2      GLN  74  -3.926  11.881  -7.385
  567   2HE2  GLN  74          1HE2      GLN  74  -4.542  10.236  -7.431
  568    H    GLN  75           H        GLN  75   1.930  11.815  -7.132
  569    HA   GLN  75           HA       GLN  75   3.854  10.404  -8.652
  570   1HB   GLN  75          HB2       GLN  75   5.493  11.125  -7.004
  571   2HB   GLN  75          HB3       GLN  75   4.416  12.416  -7.483
  572   1HG   GLN  75          HG2       GLN  75   4.195  12.866  -5.353
  573   2HG   GLN  75          HG3       GLN  75   3.078  11.497  -5.243
  574   1HE2  GLN  75          1HE2      GLN  75   3.405  10.989  -3.126
  575   2HE2  GLN  75          2HE2      GLN  75   4.950  10.409  -2.530
  576    H    VAL  76           H        VAL  76   2.089   9.391  -5.689
  577    HA   VAL  76           HA       VAL  76   3.880   7.124  -5.317
  578    HB   VAL  76           HB       VAL  76   0.985   6.931  -4.481
  579   1HG1  VAL  76          1HG1      VAL  76   3.579   6.046  -3.202
  580   2HG1  VAL  76          2HG1      VAL  76   1.915   5.559  -2.771
  581   3HG1  VAL  76          3HG1      VAL  76   2.628   5.034  -4.311
  582   1HG2  VAL  76          1HG2      VAL  76   3.110   8.358  -2.852
  583   2HG2  VAL  76          2HG2      VAL  76   1.621   9.098  -3.523
  584   3HG2  VAL  76          3HG2      VAL  76   1.516   7.804  -2.295
  585    H    LEU  77           H        LEU  77   0.746   7.671  -6.869
  586    HA   LEU  77           HA       LEU  77   0.282   5.037  -7.624
  587   1HB   LEU  77          HB2       LEU  77  -1.176   7.285  -7.611
  588   2HB   LEU  77          HB3       LEU  77  -0.863   7.222  -9.328
  589    HG   LEU  77           HG       LEU  77  -1.996   4.900  -7.683
  590   1HD1  LEU  77          1HD1      LEU  77  -3.518   6.888  -9.407
  591   2HD1  LEU  77          2HD1      LEU  77  -4.198   5.507  -8.508
  592   3HD1  LEU  77          3HD1      LEU  77  -3.499   6.863  -7.629
  593   1HD2  LEU  77          1HD2      LEU  77  -1.033   4.090  -9.758
  594   2HD2  LEU  77          2HD2      LEU  77  -2.787   4.103  -9.950
  595   3HD2  LEU  77          3HD2      LEU  77  -1.815   5.406 -10.677
  596    H    ASN  78           H        ASN  78   1.918   7.673  -9.328
  597    HA   ASN  78           HA       ASN  78   2.494   6.400 -11.779
  598   1HB   ASN  78          HB2       ASN  78   2.641   8.860 -11.279
  599   2HB   ASN  78          HB3       ASN  78   4.114   8.568 -10.359
  600   1HD2  ASN  78          2HD2      ASN  78   5.819   9.353 -11.660
  601   2HD2  ASN  78          1HD2      ASN  78   5.923   8.972 -13.383
  602    H    ILE  79           H        ILE  79   4.201   6.010  -8.661
  603    HA   ILE  79           HA       ILE  79   6.292   4.420 -10.076
  604    HB   ILE  79           HB       ILE  79   6.074   5.049  -7.146
  605   1HG1  ILE  79          2HG1      ILE  79   8.184   6.223  -8.971
  606   2HG1  ILE  79          3HG1      ILE  79   6.605   7.005  -8.936
  607   1HG2  ILE  79          1HG2      ILE  79   7.399   2.989  -7.618
  608   2HG2  ILE  79          2HG2      ILE  79   8.305   3.823  -8.870
  609   3HG2  ILE  79          3HG2      ILE  79   8.509   4.297  -7.172
  610   1HD1  ILE  79          1HD1      ILE  79   6.767   7.219  -6.453
  611   2HD1  ILE  79          2HD1      ILE  79   8.440   6.598  -6.575
  612   3HD1  ILE  79          3HD1      ILE  79   7.966   8.130  -7.357
  613    H    LEU  80           H        LEU  80   3.642   4.049  -7.769
  614    HA   LEU  80           HA       LEU  80   3.496   1.369  -7.124
  615   1HB   LEU  80          HB2       LEU  80   1.553   3.538  -7.708
  616   2HB   LEU  80          HB3       LEU  80   0.883   1.928  -7.669
  617    HG   LEU  80           HG       LEU  80   2.513   2.938  -5.308
  618   1HD1  LEU  80          1HD1      LEU  80   0.354   3.474  -4.201
  619   2HD1  LEU  80          2HD1      LEU  80   0.692   4.582  -5.541
  620   3HD1  LEU  80          3HD1      LEU  80  -0.488   3.264  -5.752
  621   1HD2  LEU  80          1HD2      LEU  80   0.159   1.012  -5.558
  622   2HD2  LEU  80          2HD2      LEU  80   1.852   0.477  -5.640
  623   3HD2  LEU  80          3HD2      LEU  80   1.249   1.250  -4.159
  624    H    LYS  81           H        LYS  81   2.014   2.744 -10.152
  625    HA   LYS  81           HA       LYS  81   1.080   0.225 -10.943
  626   1HB   LYS  81          HB2       LYS  81   0.136   1.161 -12.705
  627   2HB   LYS  81          HB3       LYS  81   0.383   2.599 -11.755
  628   1HG   LYS  81          HG2       LYS  81   2.089   1.679 -14.121
  629   2HG   LYS  81          HG3       LYS  81   0.806   2.883 -14.179
  630   1HD   LYS  81          HD2       LYS  81   2.035   4.384 -12.727
  631   2HD   LYS  81          HD3       LYS  81   3.348   3.190 -12.549
  632   1HE   LYS  81          HE2       LYS  81   3.735   3.230 -14.976
  633   2HE   LYS  81          HE3       LYS  81   2.441   4.403 -15.206
  634   1HZ   LYS  81          HZ1       LYS  81   4.683   5.035 -13.417
  635   2HZ   LYS  81          HZ2       LYS  81   4.846   5.272 -15.041
  636   3HZ   LYS  81          HZ3       LYS  81   3.727   6.064 -14.142
  637    H    SER  82           H        SER  82   4.319   1.104 -11.010
  638    HA   SER  82           HA       SER  82   5.124  -0.541 -13.306
  639   1HB   SER  82          HB2       SER  82   7.397  -0.006 -12.681
  640   2HB   SER  82          HB3       SER  82   6.436   1.483 -12.614
  641    HG   SER  82           HG       SER  82   6.402   1.266 -10.341
  642    H    ASN  83           H        ASN  83   4.468  -1.191  -9.919
  643    HA   ASN  83           HA       ASN  83   5.604  -3.914 -10.354
  644   1HB   ASN  83          HB2       ASN  83   6.878  -2.751  -8.670
  645   2HB   ASN  83          HB3       ASN  83   5.428  -2.491  -7.723
  646   1HD2  ASN  83          1HD2      ASN  83   8.003  -4.220  -7.629
  647   2HD2  ASN  83          2HD2      ASN  83   7.454  -5.699  -6.886
  648    HA   PRO  84           HA       PRO  84   1.108  -4.335 -10.539
  649   1HB   PRO  84          HB2       PRO  84   1.773  -7.218 -11.093
  650   2HB   PRO  84          HB3       PRO  84   0.760  -6.067 -12.022
  651   1HG   PRO  84          HG2       PRO  84   3.278  -6.797 -12.839
  652   2HG   PRO  84          HG3       PRO  84   2.664  -5.122 -13.089
  653   1HD   PRO  84          HD2       PRO  84   4.496  -6.154 -10.925
  654   2HD   PRO  84          HD3       PRO  84   4.598  -4.672 -11.906
  655    H    GLN  85           H        GLN  85   3.246  -6.615  -8.788
  656    HA   GLN  85           HA       GLN  85   1.114  -7.695  -7.161
  657   1HB   GLN  85          HB2       GLN  85   3.036  -9.055  -7.810
  658   2HB   GLN  85          HB3       GLN  85   4.139  -7.959  -6.979
  659   1HG   GLN  85          HG2       GLN  85   3.762  -9.961  -5.649
  660   2HG   GLN  85          HG3       GLN  85   3.135  -8.547  -4.795
  661   1HE2  GLN  85          2HE2      GLN  85   0.734  -8.214  -4.762
  662   2HE2  GLN  85          1HE2      GLN  85  -0.240  -9.696  -4.874
  663    H    LEU  86           H        LEU  86   3.677  -5.227  -6.646
  664    HA   LEU  86           HA       LEU  86   2.988  -4.585  -3.927
  665   1HB   LEU  86          HB2       LEU  86   5.109  -3.959  -5.118
  666   2HB   LEU  86          HB3       LEU  86   4.171  -2.794  -6.049
  667    HG   LEU  86           HG       LEU  86   5.592  -1.987  -4.092
  668   1HD1  LEU  86          1HD1      LEU  86   3.954  -0.570  -5.284
  669   2HD1  LEU  86          2HD1      LEU  86   2.742  -0.994  -4.032
  670   3HD1  LEU  86          3HD1      LEU  86   4.228  -0.148  -3.586
  671   1HD2  LEU  86          1HD2      LEU  86   4.912  -3.441  -2.259
  672   2HD2  LEU  86          2HD2      LEU  86   4.487  -1.774  -1.897
  673   3HD2  LEU  86          3HD2      LEU  86   3.211  -2.875  -2.417
  674    H    MET  87           H        MET  87   1.780  -3.415  -7.145
  675    HA   MET  87           HA       MET  87  -0.080  -1.550  -6.112
  676   1HB   MET  87          HB2       MET  87   0.600  -2.596  -8.678
  677   2HB   MET  87          HB3       MET  87  -1.135  -2.864  -8.485
  678   1HG   MET  87          HG2       MET  87   0.268  -0.233  -7.959
  679   2HG   MET  87          HG3       MET  87  -0.522  -0.636  -9.480
  680   1HE   MET  87          HE1       MET  87  -1.713   1.550  -9.325
  681   2HE   MET  87          HE2       MET  87  -2.990   1.969  -8.149
  682   3HE   MET  87          HE3       MET  87  -1.296   2.033  -7.648
  683    H    ALA  88           H        ALA  88  -0.718  -5.034  -6.916
  684    HA   ALA  88           HA       ALA  88  -3.338  -4.952  -5.786
  685   1HB   ALA  88          HB1       ALA  88  -1.408  -7.292  -6.091
  686   2HB   ALA  88          HB2       ALA  88  -3.143  -7.437  -5.721
  687   3HB   ALA  88          HB3       ALA  88  -2.616  -6.762  -7.280
  688    H    ALA  89           H        ALA  89  -0.206  -5.788  -4.223
  689    HA   ALA  89           HA       ALA  89  -1.308  -6.384  -1.660
  690   1HB   ALA  89          HB1       ALA  89   0.993  -6.062  -0.847
  691   2HB   ALA  89          HB2       ALA  89   0.974  -7.022  -2.342
  692   3HB   ALA  89          HB3       ALA  89   1.445  -5.299  -2.378
  693    H    PHE  90           H        PHE  90  -0.227  -3.249  -3.066
  694    HA   PHE  90           HA       PHE  90  -0.707  -1.570  -0.841
  695   1HB   PHE  90          HB2       PHE  90   0.411  -0.773  -2.830
  696   2HB   PHE  90          HB3       PHE  90  -0.993  -1.060  -3.840
  697    HD1  PHE  90           HD1      PHE  90  -0.046   0.747  -0.733
  698    HD2  PHE  90           HD2      PHE  90  -2.434   0.849  -4.306
  699    HE1  PHE  90           HE1      PHE  90  -0.556   3.202  -0.357
  700    HE2  PHE  90           HE2      PHE  90  -2.915   3.241  -3.912
  701    HZ   PHE  90           HZ       PHE  90  -1.792   4.438  -1.977
  702    H    ILE  91           H        ILE  91  -2.927  -2.317  -3.619
  703    HA   ILE  91           HA       ILE  91  -5.202  -1.103  -2.549
  704    HB   ILE  91           HB       ILE  91  -4.967  -3.473  -4.448
  705   1HG1  ILE  91          2HG1      ILE  91  -5.706  -0.538  -4.912
  706   2HG1  ILE  91          3HG1      ILE  91  -4.082  -1.155  -5.117
  707   1HG2  ILE  91          1HG2      ILE  91  -7.452  -1.862  -3.701
  708   2HG2  ILE  91          2HG2      ILE  91  -7.360  -3.045  -5.030
  709   3HG2  ILE  91          3HG2      ILE  91  -7.209  -3.588  -3.367
  710   1HD1  ILE  91          1HD1      ILE  91  -5.109  -0.956  -7.264
  711   2HD1  ILE  91          2HD1      ILE  91  -4.888  -2.683  -6.908
  712   3HD1  ILE  91          3HD1      ILE  91  -6.501  -1.926  -6.778
  713    H    LYS  92           H        LYS  92  -4.244  -4.537  -2.131
  714    HA   LYS  92           HA       LYS  92  -6.395  -5.246  -0.448
  715   1HB   LYS  92          HB2       LYS  92  -4.807  -6.823  -1.659
  716   2HB   LYS  92          HB3       LYS  92  -3.565  -6.427  -0.485
  717   1HG   LYS  92          HG2       LYS  92  -4.635  -8.509   0.095
  718   2HG   LYS  92          HG3       LYS  92  -5.035  -7.328   1.352
  719   1HD   LYS  92          HD2       LYS  92  -7.279  -7.072   0.495
  720   2HD   LYS  92          HD3       LYS  92  -6.851  -7.827  -1.056
  721   1HE   LYS  92          HE2       LYS  92  -6.360  -9.950   0.340
  722   2HE   LYS  92          HE3       LYS  92  -7.274  -9.153   1.630
  723   1HZ   LYS  92          HZ1       LYS  92  -8.653 -10.549   0.173
  724   2HZ   LYS  92          HZ2       LYS  92  -9.143  -8.986   0.074
  725   3HZ   LYS  92          HZ3       LYS  92  -8.232  -9.624  -1.112
  726    H    GLN  93           H        GLN  93  -3.013  -4.439   0.551
  727    HA   GLN  93           HA       GLN  93  -3.703  -4.655   3.304
  728   1HB   GLN  93          HB2       GLN  93  -1.425  -4.978   2.232
  729   2HB   GLN  93          HB3       GLN  93  -1.261  -3.250   2.162
  730   1HG   GLN  93          HG2       GLN  93  -0.495  -5.012   4.241
  731   2HG   GLN  93          HG3       GLN  93  -0.378  -3.280   4.239
  732   1HE2  GLN  93          2HE2      GLN  93  -1.461  -2.229   6.080
  733   2HE2  GLN  93          1HE2      GLN  93  -2.672  -3.139   6.973
  734    H    ARG  94           H        ARG  94  -3.659  -1.773   1.089
  735    HA   ARG  94           HA       ARG  94  -4.233   0.186   3.105
  736   1HB   ARG  94          HB2       ARG  94  -5.083  -0.021   0.198
  737   2HB   ARG  94          HB3       ARG  94  -5.453   1.360   1.215
  738   1HG   ARG  94          HG2       ARG  94  -2.650   0.421   0.480
  739   2HG   ARG  94          HG3       ARG  94  -3.517   1.762  -0.251
  740   1HD   ARG  94          HD2       ARG  94  -2.524   1.500   2.605
  741   2HD   ARG  94          HD3       ARG  94  -1.840   2.502   1.325
  742    HE   ARG  94           HE       ARG  94  -4.374   3.482   1.475
  743   1HH1  ARG  94          2HH2      ARG  94  -1.664   3.333   3.651
  744   2HH1  ARG  94          1HH2      ARG  94  -2.421   4.393   4.835
  745   1HH2  ARG  94          1HH1      ARG  94  -5.102   5.075   2.890
  746   2HH2  ARG  94          2HH1      ARG  94  -4.205   5.388   4.399
  747    H    THR  95           H        THR  95  -6.431  -1.917   1.163
  748    HA   THR  95           HA       THR  95  -8.838  -1.009   2.399
  749    HB   THR  95           HB       THR  95  -8.589  -3.902   1.534
  750    HG1  THR  95           HG1      THR  95  -7.701  -2.593  -0.226
  751   1HG2  THR  95          1HG2      THR  95 -10.747  -2.919   2.449
  752   2HG2  THR  95          2HG2      THR  95 -10.671  -1.712   1.128
  753   3HG2  THR  95          3HG2      THR  95 -10.893  -3.426   0.746
  754    H    ALA  96           H        ALA  96  -6.727  -3.766   3.294
  755    HA   ALA  96           HA       ALA  96  -8.079  -4.544   5.648
  756   1HB   ALA  96          HB1       ALA  96  -5.120  -4.693   4.964
  757   2HB   ALA  96          HB2       ALA  96  -5.940  -5.639   6.227
  758   3HB   ALA  96          HB3       ALA  96  -6.344  -5.894   4.530
  759    H    LYS  97           H        LYS  97  -5.387  -2.183   5.295
  760    HA   LYS  97           HA       LYS  97  -5.177  -1.374   7.971
  761   1HB   LYS  97          HB2       LYS  97  -3.611  -0.047   7.171
  762   2HB   LYS  97          HB3       LYS  97  -3.984  -0.551   5.574
  763   1HG   LYS  97          HG2       LYS  97  -3.981   1.729   5.333
  764   2HG   LYS  97          HG3       LYS  97  -5.692   1.446   5.510
  765   1HD   LYS  97          HD2       LYS  97  -5.068   1.787   8.128
  766   2HD   LYS  97          HD3       LYS  97  -3.707   2.646   7.395
  767   1HE   LYS  97          HE2       LYS  97  -5.303   4.109   6.171
  768   2HE   LYS  97          HE3       LYS  97  -6.651   3.199   6.847
  769   1HZ   LYS  97          HZ1       LYS  97  -6.462   5.043   8.236
  770   2HZ   LYS  97          HZ2       LYS  97  -5.724   3.903   9.097
  771   3HZ   LYS  97          HZ3       LYS  97  -4.806   4.954   8.339
  772    H    TYR  98           H        TYR  98  -7.431  -0.079   5.499
  773    HA   TYR  98           HA       TYR  98  -8.704   1.711   7.290
  774   1HB   TYR  98          HB2       TYR  98  -9.704   0.295   4.816
  775   2HB   TYR  98          HB3       TYR  98 -10.738   1.351   5.772
  776    HD1  TYR  98           HD1      TYR  98  -9.411   3.679   6.460
  777    HD2  TYR  98           HD2      TYR  98  -8.819   1.276   2.937
  778    HE1  TYR  98           HE1      TYR  98  -8.704   5.686   5.212
  779    HE2  TYR  98           HE2      TYR  98  -8.268   3.265   1.618
  780    HH   TYR  98           HH       TYR  98  -7.305   5.657   2.162
  781    H    VAL  99           H        VAL  99  -9.920  -1.640   6.480
  782    HA   VAL  99           HA       VAL  99 -11.924  -1.433   8.495
  783    HB   VAL  99           HB       VAL  99 -12.253  -3.856   8.297
  784   1HG1  VAL  99          1HG1      VAL  99 -12.925  -3.844   5.919
  785   2HG1  VAL  99          2HG1      VAL  99 -13.316  -2.304   6.706
  786   3HG1  VAL  99          3HG1      VAL  99 -11.926  -2.409   5.626
  787   1HG2  VAL  99          1HG2      VAL  99  -9.982  -3.829   6.286
  788   2HG2  VAL  99          2HG2      VAL  99  -9.854  -4.529   7.921
  789   3HG2  VAL  99          3HG2      VAL  99 -10.993  -5.211   6.756
  790    H    ALA 100           H        ALA 100  -8.565  -2.254   8.927
  791    HA   ALA 100           HA       ALA 100  -8.971  -3.129  11.701
  792   1HB   ALA 100          HB1       ALA 100  -6.432  -2.601  10.104
  793   2HB   ALA 100          HB2       ALA 100  -6.541  -3.435  11.669
  794   3HB   ALA 100          HB3       ALA 100  -7.269  -4.165  10.236
  795    H    ASN 101           H        ASN 101  -8.739  -0.038  10.303
  796    HA   ASN 101           HA       ASN 101  -7.755   1.154  12.888
  797   1HB   ASN 101          HB2       ASN 101  -5.998   0.824  11.110
  798   2HB   ASN 101          HB3       ASN 101  -6.916   1.918  10.072
  799   1HD2  ASN 101          2HD2      ASN 101  -5.816   2.116  13.554
  800   2HD2  ASN 101          1HD2      ASN 101  -5.066   3.684  13.235
  801    H    GLN 102           H        GLN 102  -9.813   1.582  10.104
  802    HA   GLN 102           HA       GLN 102 -11.467   3.584  11.481
  803   1HB   GLN 102          HB2       GLN 102 -10.460   3.937   8.630
  804   2HB   GLN 102          HB3       GLN 102 -11.909   4.678   9.277
  805   1HG   GLN 102          HG2       GLN 102 -10.462   6.399   9.472
  806   2HG   GLN 102          HG3       GLN 102 -10.433   5.708  11.100
  807   1HE2  GLN 102          1HE2      GLN 102  -8.424   4.978  11.880
  808   2HE2  GLN 102          2HE2      GLN 102  -6.960   5.006  10.938
  809    HA   PRO 103           HA       PRO 103 -13.448  -0.220   9.654
  810   1HB   PRO 103          HB2       PRO 103 -14.927  -1.028  11.834
  811   2HB   PRO 103          HB3       PRO 103 -13.194  -1.418  11.586
  812   1HG   PRO 103          HG2       PRO 103 -14.380   0.867  13.186
  813   2HG   PRO 103          HG3       PRO 103 -13.151  -0.330  13.720
  814   1HD   PRO 103          HD2       PRO 103 -12.437   2.115  12.822
  815   2HD   PRO 103          HD3       PRO 103 -11.473   0.684  12.352
  816    H    GLY 104           H        GLY 104 -14.662   2.834  10.489
  817   1HA   GLY 104          HA2       GLY 104 -16.428   3.845   9.220
  818   2HA   GLY 104          HA3       GLY 104 -17.235   2.287   9.065
  819    H    MET 105           H        MET 105 -17.201   1.361  11.626
  820    HA   MET 105           HA       MET 105 -19.048   3.045  13.172
  821   1HB   MET 105          HB2       MET 105 -18.928   1.277  14.847
  822   2HB   MET 105          HB3       MET 105 -19.215   0.582  13.252
  823   1HG   MET 105          HG2       MET 105 -16.809   0.042  13.058
  824   2HG   MET 105          HG3       MET 105 -16.538   0.668  14.688
  825   1HE   MET 105          HE1       MET 105 -18.165  -1.955  17.011
  826   2HE   MET 105          HE2       MET 105 -17.061  -0.583  16.879
  827   3HE   MET 105          HE3       MET 105 -18.791  -0.369  16.517
  828    H    GLN 106           H        GLN 106 -15.728   3.086  12.727
  829    HA   GLN 106           HA       GLN 106 -15.175   5.158  14.564
  830   1HB   GLN 106          HB2       GLN 106 -14.767   3.220  16.031
  831   2HB   GLN 106          HB3       GLN 106 -13.730   2.463  14.833
  832   1HG   GLN 106          HG2       GLN 106 -12.963   5.213  15.811
  833   2HG   GLN 106          HG3       GLN 106 -12.834   3.861  16.933
  834   1HE2  GLN 106          1HE2      GLN 106 -11.674   4.958  13.733
  835   2HE2  GLN 106          2HE2      GLN 106 -10.240   3.918  13.752
  Start of MODEL   16
    1   1H    GLU   1          H1        GLU   1  17.277 -10.502  -7.143
    2   2H    GLU   1          H2        GLU   1  16.275  -9.206  -7.337
    3   3H    GLU   1          H3        GLU   1  15.845 -10.448  -6.392
    4    HA   GLU   1           HA       GLU   1  14.717 -10.347  -8.601
    5   1HB   GLU   1          HB2       GLU   1  16.940  -9.701  -9.691
    6   2HB   GLU   1          HB3       GLU   1  17.337 -11.422  -9.657
    7   1HG   GLU   1          HG2       GLU   1  16.403 -10.984 -11.816
    8   2HG   GLU   1          HG3       GLU   1  15.125 -11.799 -10.913
    9    H    GLY   2           H        GLY   2  17.145 -12.810  -7.466
   10   1HA   GLY   2          HA2       GLY   2  15.437 -15.026  -8.056
   11   2HA   GLY   2          HA3       GLY   2  16.914 -15.031  -7.081
   12    H    GLN   3           H        GLN   3  13.771 -13.535  -6.805
   13    HA   GLN   3           HA       GLN   3  12.287 -13.040  -5.289
   14   1HB   GLN   3          HB2       GLN   3  12.317 -16.041  -4.915
   15   2HB   GLN   3          HB3       GLN   3  11.002 -14.935  -4.524
   16   1HG   GLN   3          HG2       GLN   3  11.233 -14.149  -7.034
   17   2HG   GLN   3          HG3       GLN   3  12.055 -15.697  -7.239
   18   1HE2  GLN   3          2HE2      GLN   3   8.991 -14.178  -6.324
   19   2HE2  GLN   3          1HE2      GLN   3   8.019 -15.671  -6.445
   20    H    SER   4           H        SER   4  14.986 -14.298  -3.804
   21    HA   SER   4           HA       SER   4  14.358 -14.529  -1.071
   22   1HB   SER   4          HB2       SER   4  16.935 -13.590  -2.393
   23   2HB   SER   4          HB3       SER   4  16.794 -14.304  -0.776
   24    HG   SER   4           HG       SER   4  16.219 -15.626  -3.254
   25    H    ASP   5           H        ASP   5  15.262 -11.668  -3.064
   26    HA   ASP   5           HA       ASP   5  14.890  -9.791  -0.880
   27   1HB   ASP   5          HB2       ASP   5  15.485  -8.187  -2.708
   28   2HB   ASP   5          HB3       ASP   5  16.702  -9.451  -2.537
   29    H    GLU   6           H        GLU   6  13.113 -11.035  -3.745
   30    HA   GLU   6           HA       GLU   6  11.323  -8.932  -4.011
   31   1HB   GLU   6          HB2       GLU   6  11.456 -10.958  -5.586
   32   2HB   GLU   6          HB3       GLU   6  10.674 -11.903  -4.308
   33   1HG   GLU   6          HG2       GLU   6   8.694 -10.314  -4.473
   34   2HG   GLU   6          HG3       GLU   6   9.433  -9.661  -5.935
   35    H    ARG   7           H        ARG   7  10.864 -11.797  -1.864
   36    HA   ARG   7           HA       ARG   7   8.223 -10.816  -1.255
   37   1HB   ARG   7          HB2       ARG   7   8.555 -13.188  -1.029
   38   2HB   ARG   7          HB3       ARG   7   9.893 -12.961   0.130
   39   1HG   ARG   7          HG2       ARG   7   7.868 -13.665   1.311
   40   2HG   ARG   7          HG3       ARG   7   8.264 -12.001   1.753
   41   1HD   ARG   7          HD2       ARG   7   6.646 -11.237  -0.080
   42   2HD   ARG   7          HD3       ARG   7   6.157 -12.932  -0.244
   43    HE   ARG   7           HE       ARG   7   5.989 -11.345   2.303
   44   1HH1  ARG   7          2HH2      ARG   7   4.410 -13.375   0.063
   45   2HH1  ARG   7          1HH2      ARG   7   2.767 -12.949   0.558
   46   1HH2  ARG   7          1HH1      ARG   7   4.049 -10.472   2.696
   47   2HH2  ARG   7          2HH1      ARG   7   2.572 -11.259   2.205
   48    H    ALA   8           H        ALA   8  11.289 -10.651   0.524
   49    HA   ALA   8           HA       ALA   8  10.246  -9.176   2.744
   50   1HB   ALA   8          HB1       ALA   8  12.642  -8.714   3.192
   51   2HB   ALA   8          HB2       ALA   8  12.402 -10.419   2.767
   52   3HB   ALA   8          HB3       ALA   8  13.072  -9.289   1.569
   53    H    LEU   9           H        LEU   9  11.555  -7.999  -0.471
   54    HA   LEU   9           HA       LEU   9  11.287  -5.306   0.583
   55   1HB   LEU   9          HB2       LEU   9  12.695  -4.652  -0.819
   56   2HB   LEU   9          HB3       LEU   9  12.974  -6.305  -1.276
   57    HG   LEU   9           HG       LEU   9  12.937  -4.788  -3.124
   58   1HD1  LEU   9          1HD1      LEU   9  11.581  -6.062  -4.657
   59   2HD1  LEU   9          2HD1      LEU   9  12.421  -7.115  -3.512
   60   3HD1  LEU   9          3HD1      LEU   9  10.682  -6.782  -3.303
   61   1HD2  LEU   9          1HD2      LEU   9  11.160  -3.587  -3.977
   62   2HD2  LEU   9          2HD2      LEU   9   9.972  -4.336  -2.901
   63   3HD2  LEU   9          3HD2      LEU   9  11.180  -3.209  -2.244
   64    H    LEU  10           H        LEU  10   9.231  -7.445  -1.382
   65    HA   LEU  10           HA       LEU  10   7.217  -5.477  -1.922
   66   1HB   LEU  10          HB2       LEU  10   7.312  -7.664  -3.035
   67   2HB   LEU  10          HB3       LEU  10   7.161  -8.493  -1.499
   68    HG   LEU  10           HG       LEU  10   4.851  -7.742  -1.233
   69   1HD1  LEU  10          1HD1      LEU  10   4.875  -5.578  -2.377
   70   2HD1  LEU  10          2HD1      LEU  10   5.242  -6.354  -3.936
   71   3HD1  LEU  10          3HD1      LEU  10   3.675  -6.633  -3.133
   72   1HD2  LEU  10          1HD2      LEU  10   5.443  -8.931  -3.977
   73   2HD2  LEU  10          2HD2      LEU  10   5.318  -9.826  -2.439
   74   3HD2  LEU  10          3HD2      LEU  10   3.889  -9.030  -3.129
   75    H    ASP  11           H        ASP  11   7.652  -7.709   0.864
   76    HA   ASP  11           HA       ASP  11   5.458  -6.666   2.361
   77   1HB   ASP  11          HB2       ASP  11   7.959  -8.168   3.144
   78   2HB   ASP  11          HB3       ASP  11   6.891  -7.547   4.374
   79    H    GLN  12           H        GLN  12   8.918  -5.626   2.577
   80    HA   GLN  12           HA       GLN  12   8.156  -3.583   4.428
   81   1HB   GLN  12          HB2       GLN  12  10.354  -2.939   4.538
   82   2HB   GLN  12          HB3       GLN  12  10.477  -4.619   4.034
   83   1HG   GLN  12          HG2       GLN  12  11.941  -3.829   2.542
   84   2HG   GLN  12          HG3       GLN  12  10.538  -3.410   1.582
   85   1HE2  GLN  12          2HE2      GLN  12   9.666  -0.886   3.034
   86   2HE2  GLN  12          1HE2      GLN  12  11.088   0.142   2.801
   87    H    LEU  13           H        LEU  13   8.170  -3.508   0.869
   88    HA   LEU  13           HA       LEU  13   7.714  -0.644   0.834
   89   1HB   LEU  13          HB2       LEU  13   7.674  -2.821  -1.244
   90   2HB   LEU  13          HB3       LEU  13   6.715  -1.401  -1.532
   91    HG   LEU  13           HG       LEU  13   9.064  -1.372  -2.509
   92   1HD1  LEU  13          1HD1      LEU  13   7.656   0.692  -2.179
   93   2HD1  LEU  13          2HD1      LEU  13   8.455   0.944  -0.614
   94   3HD1  LEU  13          3HD1      LEU  13   9.403   0.990  -2.114
   95   1HD2  LEU  13          1HD2      LEU  13   9.954  -0.677   0.322
   96   2HD2  LEU  13          2HD2      LEU  13  10.261  -2.234  -0.453
   97   3HD2  LEU  13          3HD2      LEU  13  10.949  -0.749  -1.134
   98    H    HIS  14           H        HIS  14   5.441  -3.508   0.731
   99    HA   HIS  14           HA       HIS  14   3.202  -1.649   0.516
  100   1HB   HIS  14          HB2       HIS  14   1.709  -3.364   0.639
  101   2HB   HIS  14          HB3       HIS  14   3.066  -4.034  -0.242
  102    HD2  HIS  14           HD2      HIS  14   3.686  -6.429   0.496
  103    HE1  HIS  14           HE1      HIS  14   2.228  -6.370   4.491
  104    HE2  HIS  14           HE2      HIS  14   3.468  -7.753   2.740
  105    H    THR  15           H        THR  15   4.966  -3.004   3.231
  106    HA   THR  15           HA       THR  15   3.355  -1.933   5.344
  107    HB   THR  15           HB       THR  15   6.411  -2.001   5.332
  108    HG1  THR  15           HG1      THR  15   5.613  -4.069   4.863
  109   1HG2  THR  15          1HG2      THR  15   6.139  -2.380   7.751
  110   2HG2  THR  15          2HG2      THR  15   5.465  -0.809   7.267
  111   3HG2  THR  15          3HG2      THR  15   4.386  -2.185   7.601
  112    H    LEU  16           H        LEU  16   6.237  -0.381   3.771
  113    HA   LEU  16           HA       LEU  16   5.875   2.171   4.861
  114   1HB   LEU  16          HB2       LEU  16   7.843   1.470   3.494
  115   2HB   LEU  16          HB3       LEU  16   6.822   1.320   2.085
  116    HG   LEU  16           HG       LEU  16   6.259   3.925   2.780
  117   1HD1  LEU  16          1HD1      LEU  16   9.183   3.551   3.440
  118   2HD1  LEU  16          2HD1      LEU  16   8.251   5.078   3.368
  119   3HD1  LEU  16          3HD1      LEU  16   7.878   3.874   4.609
  120   1HD2  LEU  16          1HD2      LEU  16   8.380   2.823   0.943
  121   2HD2  LEU  16          2HD2      LEU  16   6.723   3.319   0.531
  122   3HD2  LEU  16          3HD2      LEU  16   7.904   4.545   0.978
  123    H    LEU  17           H        LEU  17   4.519   0.989   1.775
  124    HA   LEU  17           HA       LEU  17   3.152   3.382   1.205
  125   1HB   LEU  17          HB2       LEU  17   3.989   1.202  -0.141
  126   2HB   LEU  17          HB3       LEU  17   2.300   0.746  -0.015
  127    HG   LEU  17           HG       LEU  17   1.731   2.729  -1.405
  128   1HD1  LEU  17          1HD1      LEU  17   4.553   3.610  -0.881
  129   2HD1  LEU  17          2HD1      LEU  17   3.657   4.121  -2.329
  130   3HD1  LEU  17          3HD1      LEU  17   2.963   4.465  -0.764
  131   1HD2  LEU  17          1HD2      LEU  17   3.028   2.266  -3.402
  132   2HD2  LEU  17          2HD2      LEU  17   4.257   1.389  -2.456
  133   3HD2  LEU  17          3HD2      LEU  17   2.598   0.744  -2.608
  134    H    SER  18           H        SER  18   2.237   1.045   3.528
  135    HA   SER  18           HA       SER  18  -0.538   2.162   3.544
  136   1HB   SER  18          HB2       SER  18  -1.479   0.011   3.961
  137   2HB   SER  18          HB3       SER  18  -0.489  -0.088   2.496
  138    HG   SER  18           HG       SER  18   1.111  -1.089   3.673
  139    H    ASN  19           H        ASN  19   2.078   2.131   5.267
  140    HA   ASN  19           HA       ASN  19   2.304   1.228   7.616
  141   1HB   ASN  19          HB2       ASN  19   3.670   3.245   8.088
  142   2HB   ASN  19          HB3       ASN  19   3.755   2.793   6.405
  143   1HD2  ASN  19          2HD2      ASN  19   3.328   4.405   4.912
  144   2HD2  ASN  19          1HD2      ASN  19   2.524   5.933   5.341
  145    H    THR  20           H        THR  20  -0.551   2.704   7.351
  146    HA   THR  20           HA       THR  20  -2.192   2.665   8.967
  147    HB   THR  20           HB       THR  20  -2.047   3.676  11.195
  148    HG1  THR  20           HG1      THR  20   0.700   3.636  10.696
  149   1HG2  THR  20          1HG2      THR  20  -1.939   1.251  10.962
  150   2HG2  THR  20          2HG2      THR  20  -0.180   1.308  10.760
  151   3HG2  THR  20          3HG2      THR  20  -0.904   1.810  12.294
  152    H    ASP  21           H        ASP  21  -0.167   5.452   8.062
  153    HA   ASP  21           HA       ASP  21  -2.078   7.425   8.766
  154   1HB   ASP  21          HB2       ASP  21   0.223   8.014   8.205
  155   2HB   ASP  21          HB3       ASP  21   0.024   7.408   6.564
  156    H    ALA  22           H        ALA  22  -3.264   8.717   7.392
  157    HA   ALA  22           HA       ALA  22  -4.331   7.715   4.829
  158   1HB   ALA  22          HB1       ALA  22  -5.927   6.804   6.404
  159   2HB   ALA  22          HB2       ALA  22  -6.156   8.385   7.163
  160   3HB   ALA  22          HB3       ALA  22  -6.681   8.121   5.482
  161    H    THR  23           H        THR  23  -3.132  10.344   6.684
  162    HA   THR  23           HA       THR  23  -4.813  12.447   6.158
  163    HB   THR  23           HB       THR  23  -1.751  12.530   6.297
  164    HG1  THR  23           HG1      THR  23  -2.307  11.358   8.000
  165   1HG2  THR  23          1HG2      THR  23  -2.083  14.632   7.540
  166   2HG2  THR  23          2HG2      THR  23  -2.752  14.752   5.908
  167   3HG2  THR  23          3HG2      THR  23  -3.850  14.494   7.284
  168    H    GLY  24           H        GLY  24  -2.149  11.419   4.136
  169   1HA   GLY  24          HA2       GLY  24  -3.402  12.968   1.864
  170   2HA   GLY  24          HA3       GLY  24  -1.663  12.748   1.996
  171    H    LEU  25           H        LEU  25  -2.315   9.815   3.002
  172    HA   LEU  25           HA       LEU  25  -2.294   8.458   0.471
  173   1HB   LEU  25          HB2       LEU  25  -2.732   7.675   3.357
  174   2HB   LEU  25          HB3       LEU  25  -2.957   6.488   2.068
  175    HG   LEU  25           HG       LEU  25  -0.373   8.065   2.119
  176   1HD1  LEU  25          1HD1      LEU  25  -0.649   7.205   4.414
  177   2HD1  LEU  25          2HD1      LEU  25  -0.954   5.566   3.763
  178   3HD1  LEU  25          3HD1      LEU  25   0.633   6.355   3.551
  179   1HD2  LEU  25          1HD2      LEU  25   0.478   5.975   1.136
  180   2HD2  LEU  25          2HD2      LEU  25  -1.111   5.205   1.339
  181   3HD2  LEU  25          3HD2      LEU  25  -0.920   6.545   0.204
  182    H    GLU  26           H        GLU  26  -4.950   9.617   2.495
  183    HA   GLU  26           HA       GLU  26  -7.185   8.324   1.618
  184   1HB   GLU  26          HB2       GLU  26  -7.303  10.082   3.178
  185   2HB   GLU  26          HB3       GLU  26  -6.539  11.269   2.130
  186   1HG   GLU  26          HG2       GLU  26  -9.117  10.041   1.241
  187   2HG   GLU  26          HG3       GLU  26  -9.171  11.113   2.670
  188    H    GLU  27           H        GLU  27  -5.717  11.043  -0.129
  189    HA   GLU  27           HA       GLU  27  -7.379  11.036  -2.361
  190   1HB   GLU  27          HB2       GLU  27  -6.121  12.876  -1.607
  191   2HB   GLU  27          HB3       GLU  27  -4.626  12.020  -1.672
  192   1HG   GLU  27          HG2       GLU  27  -4.432  12.413  -4.038
  193   2HG   GLU  27          HG3       GLU  27  -6.185  12.347  -4.256
  194    H    ILE  28           H        ILE  28  -4.264   9.303  -1.889
  195    HA   ILE  28           HA       ILE  28  -4.260   8.104  -4.529
  196    HB   ILE  28           HB       ILE  28  -3.038   6.888  -2.027
  197   1HG1  ILE  28          2HG1      ILE  28  -2.249   9.201  -2.045
  198   2HG1  ILE  28          3HG1      ILE  28  -0.980   8.041  -2.332
  199   1HG2  ILE  28          1HG2      ILE  28  -2.292   6.722  -4.988
  200   2HG2  ILE  28          2HG2      ILE  28  -1.324   6.045  -3.666
  201   3HG2  ILE  28          3HG2      ILE  28  -2.970   5.442  -3.979
  202   1HD1  ILE  28          1HD1      ILE  28  -1.028   8.568  -4.787
  203   2HD1  ILE  28          2HD1      ILE  28  -2.342   9.742  -4.481
  204   3HD1  ILE  28          3HD1      ILE  28  -0.723   9.975  -3.776
  205    H    ASP  29           H        ASP  29  -5.591   7.126  -1.356
  206    HA   ASP  29           HA       ASP  29  -6.419   4.552  -2.142
  207   1HB   ASP  29          HB2       ASP  29  -7.537   6.404   0.028
  208   2HB   ASP  29          HB3       ASP  29  -7.948   4.736  -0.136
  209    H    ARG  30           H        ARG  30  -8.299   7.640  -2.025
  210    HA   ARG  30           HA       ARG  30 -10.635   6.473  -3.217
  211   1HB   ARG  30          HB2       ARG  30 -11.553   8.660  -3.506
  212   2HB   ARG  30          HB3       ARG  30 -10.847   8.503  -1.904
  213   1HG   ARG  30          HG2       ARG  30  -8.995   9.844  -2.460
  214   2HG   ARG  30          HG3       ARG  30  -9.420   9.943  -4.186
  215   1HD   ARG  30          HD2       ARG  30 -11.184  11.467  -3.770
  216   2HD   ARG  30          HD3       ARG  30 -11.442  10.826  -2.142
  217    HE   ARG  30           HE       ARG  30 -10.004  12.270  -1.232
  218   1HH1  ARG  30          1HH2      ARG  30  -9.315  12.700  -4.688
  219   2HH1  ARG  30          2HH2      ARG  30  -8.116  13.924  -4.198
  220   1HH2  ARG  30          1HH1      ARG  30  -8.315  13.612  -0.959
  221   2HH2  ARG  30          2HH1      ARG  30  -7.727  14.460  -2.386
  222    H    ALA  31           H        ALA  31  -7.794   7.995  -4.768
  223    HA   ALA  31           HA       ALA  31  -8.765   7.904  -7.432
  224   1HB   ALA  31          HB1       ALA  31  -6.700   9.068  -6.782
  225   2HB   ALA  31          HB2       ALA  31  -5.933   7.516  -6.385
  226   3HB   ALA  31          HB3       ALA  31  -6.381   7.874  -8.062
  227    H    LEU  32           H        LEU  32  -7.926   5.282  -5.300
  228    HA   LEU  32           HA       LEU  32  -8.238   3.282  -7.506
  229   1HB   LEU  32          HB2       LEU  32  -6.620   3.327  -4.942
  230   2HB   LEU  32          HB3       LEU  32  -6.858   1.848  -5.889
  231    HG   LEU  32           HG       LEU  32  -5.767   4.363  -7.215
  232   1HD1  LEU  32          1HD1      LEU  32  -4.380   3.933  -5.282
  233   2HD1  LEU  32          2HD1      LEU  32  -4.138   2.248  -5.792
  234   3HD1  LEU  32          3HD1      LEU  32  -3.511   3.618  -6.785
  235   1HD2  LEU  32          1HD2      LEU  32  -6.577   2.424  -8.615
  236   2HD2  LEU  32          2HD2      LEU  32  -4.872   2.838  -8.829
  237   3HD2  LEU  32          3HD2      LEU  32  -5.331   1.417  -7.867
  238    H    GLY  33           H        GLY  33 -10.246   4.730  -5.576
  239   1HA   GLY  33          HA2       GLY  33 -12.289   4.192  -4.724
  240   2HA   GLY  33          HA3       GLY  33 -12.161   2.661  -5.582
  241    H    ILE  34           H        ILE  34  -9.697   3.138  -3.214
  242    HA   ILE  34           HA       ILE  34 -10.325   0.695  -2.010
  243    HB   ILE  34           HB       ILE  34  -8.499   2.817  -0.861
  244   1HG1  ILE  34          2HG1      ILE  34  -7.992   0.568  -2.852
  245   2HG1  ILE  34          3HG1      ILE  34  -7.959   2.284  -3.205
  246   1HG2  ILE  34          1HG2      ILE  34  -9.095   0.986   0.750
  247   2HG2  ILE  34          2HG2      ILE  34  -8.492  -0.190  -0.436
  248   3HG2  ILE  34          3HG2      ILE  34  -7.397   0.994   0.308
  249   1HD1  ILE  34          1HD1      ILE  34  -6.018   2.518  -1.568
  250   2HD1  ILE  34          2HD1      ILE  34  -5.998   0.747  -1.493
  251   3HD1  ILE  34          3HD1      ILE  34  -5.688   1.572  -3.032
  252    HA   PRO  35           HA       PRO  35 -12.501   2.869   1.744
  253   1HB   PRO  35          HB2       PRO  35 -13.605   5.221   0.216
  254   2HB   PRO  35          HB3       PRO  35 -13.232   5.084   1.964
  255   1HG   PRO  35          HG2       PRO  35 -11.508   6.386   0.363
  256   2HG   PRO  35          HG3       PRO  35 -10.864   5.164   1.520
  257   1HD   PRO  35          HD2       PRO  35 -11.484   4.774  -1.427
  258   2HD   PRO  35          HD3       PRO  35  -9.979   4.378  -0.530
  259    H    GLU  36           H        GLU  36 -13.597   2.748  -1.644
  260    HA   GLU  36           HA       GLU  36 -16.302   1.917  -0.902
  261   1HB   GLU  36          HB2       GLU  36 -15.413   3.113  -3.147
  262   2HB   GLU  36          HB3       GLU  36 -15.274   1.427  -3.668
  263   1HG   GLU  36          HG2       GLU  36 -17.745   2.870  -2.637
  264   2HG   GLU  36          HG3       GLU  36 -17.433   2.343  -4.292
  265    H    LEU  37           H        LEU  37 -13.273   0.422  -2.162
  266    HA   LEU  37           HA       LEU  37 -14.054  -2.304  -2.094
  267   1HB   LEU  37          HB2       LEU  37 -11.346  -1.153  -1.313
  268   2HB   LEU  37          HB3       LEU  37 -11.661  -2.822  -1.665
  269    HG   LEU  37           HG       LEU  37 -11.888  -0.519  -3.656
  270   1HD1  LEU  37          1HD1      LEU  37  -9.933  -1.522  -4.681
  271   2HD1  LEU  37          2HD1      LEU  37  -9.585  -1.240  -2.964
  272   3HD1  LEU  37          3HD1      LEU  37  -9.961  -2.873  -3.524
  273   1HD2  LEU  37          1HD2      LEU  37 -13.531  -2.225  -4.281
  274   2HD2  LEU  37          2HD2      LEU  37 -12.152  -2.295  -5.377
  275   3HD2  LEU  37          3HD2      LEU  37 -12.321  -3.515  -4.098
  276    H    VAL  38           H        VAL  38 -13.151  -0.232   0.656
  277    HA   VAL  38           HA       VAL  38 -13.485  -2.264   2.679
  278    HB   VAL  38           HB       VAL  38 -13.786   0.769   2.789
  279   1HG1  VAL  38          1HG1      VAL  38 -15.052   0.032   4.620
  280   2HG1  VAL  38          2HG1      VAL  38 -13.908  -1.274   5.008
  281   3HG1  VAL  38          3HG1      VAL  38 -13.471   0.433   5.282
  282   1HG2  VAL  38          1HG2      VAL  38 -11.641   0.811   3.823
  283   2HG2  VAL  38          2HG2      VAL  38 -11.535  -0.984   3.812
  284   3HG2  VAL  38          3HG2      VAL  38 -11.475  -0.042   2.304
  285    H    ASN  39           H        ASN  39 -15.769   0.338   1.629
  286    HA   ASN  39           HA       ASN  39 -17.962  -0.367   3.185
  287   1HB   ASN  39          HB2       ASN  39 -17.739   1.768   2.100
  288   2HB   ASN  39          HB3       ASN  39 -17.714   1.011   0.494
  289   1HD2  ASN  39          2HD2      ASN  39 -19.678   0.826  -0.599
  290   2HD2  ASN  39          1HD2      ASN  39 -21.216   1.119   0.203
  291    H    GLN  40           H        GLN  40 -17.305  -1.541  -0.126
  292    HA   GLN  40           HA       GLN  40 -19.792  -2.847  -0.476
  293   1HB   GLN  40          HB2       GLN  40 -18.819  -3.966  -2.379
  294   2HB   GLN  40          HB3       GLN  40 -18.339  -2.270  -2.299
  295   1HG   GLN  40          HG2       GLN  40 -16.126  -3.025  -1.289
  296   2HG   GLN  40          HG3       GLN  40 -16.638  -4.690  -1.532
  297   1HE2  GLN  40          2HE2      GLN  40 -16.818  -1.720  -3.778
  298   2HE2  GLN  40          1HE2      GLN  40 -15.930  -2.593  -5.006
  299    H    GLY  41           H        GLY  41 -17.177  -3.966   1.480
  300   1HA   GLY  41          HA2       GLY  41 -18.708  -6.260   2.322
  301   2HA   GLY  41          HA3       GLY  41 -17.222  -6.738   1.474
  302    H    GLN  42           H        GLN  42 -15.243  -6.345   2.443
  303    HA   GLN  42           HA       GLN  42 -14.754  -4.427   4.454
  304   1HB   GLN  42          HB2       GLN  42 -14.036  -5.815   6.322
  305   2HB   GLN  42          HB3       GLN  42 -15.756  -5.842   6.061
  306   1HG   GLN  42          HG2       GLN  42 -13.909  -8.097   5.171
  307   2HG   GLN  42          HG3       GLN  42 -14.645  -7.993   6.768
  308   1HE2  GLN  42          2HE2      GLN  42 -15.095  -8.966   3.522
  309   2HE2  GLN  42          1HE2      GLN  42 -16.777  -9.534   3.750
  310    H    ALA  43           H        ALA  43 -12.510  -6.668   5.175
  311    HA   ALA  43           HA       ALA  43 -10.995  -6.421   2.649
  312   1HB   ALA  43          HB1       ALA  43  -9.065  -5.482   3.627
  313   2HB   ALA  43          HB2       ALA  43 -10.419  -4.507   4.247
  314   3HB   ALA  43          HB3       ALA  43  -9.658  -5.760   5.267
  315    H    LEU  44           H        LEU  44 -12.322  -8.713   3.991
  316    HA   LEU  44           HA       LEU  44 -10.075 -10.504   4.803
  317   1HB   LEU  44          HB2       LEU  44 -13.072 -10.987   4.660
  318   2HB   LEU  44          HB3       LEU  44 -11.871 -12.137   5.232
  319    HG   LEU  44           HG       LEU  44 -12.517  -9.451   6.528
  320   1HD1  LEU  44          1HD1      LEU  44 -13.525 -10.840   8.299
  321   2HD1  LEU  44          2HD1      LEU  44 -14.322 -11.101   6.732
  322   3HD1  LEU  44          3HD1      LEU  44 -13.174 -12.304   7.363
  323   1HD2  LEU  44          1HD2      LEU  44 -10.667 -11.700   7.445
  324   2HD2  LEU  44          2HD2      LEU  44 -10.177 -10.036   7.002
  325   3HD2  LEU  44          3HD2      LEU  44 -11.166 -10.313   8.434
  326    H    GLU  45           H        GLU  45 -12.218  -9.684   2.252
  327    HA   GLU  45           HA       GLU  45 -11.862 -11.699   0.301
  328   1HB   GLU  45          HB2       GLU  45 -12.045  -8.677   0.006
  329   2HB   GLU  45          HB3       GLU  45 -12.564  -9.835  -1.226
  330   1HG   GLU  45          HG2       GLU  45 -14.613  -9.386  -0.420
  331   2HG   GLU  45          HG3       GLU  45 -14.209 -10.564   0.826
  332    HA   PRO  46           HA       PRO  46  -7.728 -10.790  -1.339
  333   1HB   PRO  46          HB2       PRO  46  -7.923 -11.093  -4.056
  334   2HB   PRO  46          HB3       PRO  46  -8.078 -12.438  -2.895
  335   1HG   PRO  46          HG2       PRO  46 -10.328 -10.833  -4.127
  336   2HG   PRO  46          HG3       PRO  46 -10.121 -12.616  -4.101
  337   1HD   PRO  46          HD2       PRO  46 -11.653 -11.398  -2.270
  338   2HD   PRO  46          HD3       PRO  46 -10.562 -12.747  -1.793
  339    H    LYS  47           H        LYS  47  -9.860  -8.488  -1.212
  340    HA   LYS  47           HA       LYS  47  -8.416  -6.360  -2.688
  341   1HB   LYS  47          HB2       LYS  47 -10.715  -5.376  -3.187
  342   2HB   LYS  47          HB3       LYS  47 -10.245  -6.753  -4.161
  343   1HG   LYS  47          HG2       LYS  47 -11.908  -8.074  -3.415
  344   2HG   LYS  47          HG3       LYS  47 -11.661  -7.644  -1.746
  345   1HD   LYS  47          HD2       LYS  47 -13.295  -6.002  -3.673
  346   2HD   LYS  47          HD3       LYS  47 -13.927  -7.118  -2.465
  347   1HE   LYS  47          HE2       LYS  47 -12.388  -4.564  -1.940
  348   2HE   LYS  47          HE3       LYS  47 -14.111  -4.825  -1.694
  349   1HZ   LYS  47          HZ1       LYS  47 -13.529  -6.413   0.088
  350   2HZ   LYS  47          HZ2       LYS  47 -11.929  -6.053  -0.126
  351   3HZ   LYS  47          HZ3       LYS  47 -13.020  -4.945   0.377
  352    HT1  PRO  48           H3       PRO  48  15.033  -7.313 -12.672
  353    HT2  PRO  48           H2       PRO  48  14.141  -7.051 -14.006
  354    HA   PRO  48           HA       PRO  48  13.436  -6.809 -11.301
  355   1HB   PRO  48          HB2       PRO  48  12.184  -4.419 -12.100
  356   2HB   PRO  48          HB3       PRO  48  13.678  -4.568 -11.151
  357   1HG   PRO  48          HG2       PRO  48  13.425  -4.267 -14.177
  358   2HG   PRO  48          HG3       PRO  48  14.425  -3.284 -13.069
  359   1HD   PRO  48          HD2       PRO  48  15.627  -5.313 -14.329
  360   2HD   PRO  48          HD3       PRO  48  15.830  -5.175 -12.553
  361    H    ASN  49           H        ASN  49  12.734  -8.800 -12.248
  362    HA   ASN  49           HA       ASN  49  10.309  -8.570 -13.989
  363   1HB   ASN  49          HB2       ASN  49  12.689 -10.458 -14.302
  364   2HB   ASN  49          HB3       ASN  49  11.210 -10.504 -15.278
  365   1HD2  ASN  49          2HD2      ASN  49  11.097  -9.151 -17.101
  366   2HD2  ASN  49          1HD2      ASN  49  12.338  -7.910 -17.374
  367    H    ARG  50           H        ARG  50  12.029 -10.355 -11.504
  368    HA   ARG  50           HA       ARG  50   9.506 -11.716 -10.708
  369   1HB   ARG  50          HB2       ARG  50  12.370 -12.587 -10.649
  370   2HB   ARG  50          HB3       ARG  50  11.486 -12.889  -9.149
  371   1HG   ARG  50          HG2       ARG  50  10.233 -13.641 -11.804
  372   2HG   ARG  50          HG3       ARG  50  11.475 -14.674 -11.092
  373   1HD   ARG  50          HD2       ARG  50   9.055 -15.295 -10.575
  374   2HD   ARG  50          HD3       ARG  50  10.224 -15.246  -9.255
  375    HE   ARG  50           HE       ARG  50   9.138 -13.398  -8.291
  376   1HH1  ARG  50          2HH1      ARG  50   7.586 -13.960 -11.350
  377   2HH1  ARG  50          1HH1      ARG  50   6.164 -13.030 -10.872
  378   1HH2  ARG  50          1HH2      ARG  50   7.351 -12.315  -7.719
  379   2HH2  ARG  50          2HH2      ARG  50   6.062 -12.081  -8.799
  380    H    SER  51           H        SER  51  12.392 -10.009  -9.578
  381    HA   SER  51           HA       SER  51  10.917  -8.827  -7.270
  382   1HB   SER  51          HB2       SER  51  13.739  -8.413  -8.338
  383   2HB   SER  51          HB3       SER  51  13.038  -7.549  -6.955
  384    HG   SER  51           HG       SER  51  14.044  -9.172  -6.025
  385    H    ILE  52           H        ILE  52   9.245  -7.810  -8.533
  386    HA   ILE  52           HA       ILE  52   9.993  -6.082 -10.748
  387    HB   ILE  52           HB       ILE  52   7.175  -5.989  -9.850
  388   1HG1  ILE  52          2HG1      ILE  52   6.862  -8.237 -11.248
  389   2HG1  ILE  52          3HG1      ILE  52   8.428  -8.647 -10.619
  390   1HG2  ILE  52          1HG2      ILE  52   8.538  -6.528 -12.529
  391   2HG2  ILE  52          2HG2      ILE  52   6.817  -6.216 -12.284
  392   3HG2  ILE  52          3HG2      ILE  52   8.000  -4.944 -11.939
  393   1HD1  ILE  52          1HD1      ILE  52   6.699  -9.508  -9.142
  394   2HD1  ILE  52          2HD1      ILE  52   7.497  -8.197  -8.273
  395   3HD1  ILE  52          3HD1      ILE  52   5.905  -7.926  -9.050
  396    H    SER  53           H        SER  53  10.327  -5.457  -7.658
  397    HA   SER  53           HA       SER  53   9.628  -2.579  -7.822
  398   1HB   SER  53          HB2       SER  53   9.188  -2.840  -5.310
  399   2HB   SER  53          HB3       SER  53   8.011  -3.543  -6.425
  400    HG   SER  53           HG       SER  53   8.629  -4.970  -4.717
  401    HA   PRO  54           HA       PRO  54  13.850  -3.026  -5.446
  402   1HB   PRO  54          HB2       PRO  54  15.915  -3.595  -7.126
  403   2HB   PRO  54          HB3       PRO  54  14.980  -4.853  -6.267
  404   1HG   PRO  54          HG2       PRO  54  14.550  -3.826  -9.099
  405   2HG   PRO  54          HG3       PRO  54  14.691  -5.538  -8.561
  406   1HD   PRO  54          HD2       PRO  54  12.295  -4.380  -8.957
  407   2HD   PRO  54          HD3       PRO  54  12.561  -5.505  -7.576
  408    H    SER  55           H        SER  55  12.880  -1.708  -8.502
  409    HA   SER  55           HA       SER  55  14.592   0.653  -8.450
  410   1HB   SER  55          HB2       SER  55  12.918   1.343 -10.273
  411   2HB   SER  55          HB3       SER  55  13.833  -0.150 -10.605
  412    HG   SER  55           HG       SER  55  11.525  -0.344 -10.977
  413    H    ALA  56           H        ALA  56  11.126  -0.071  -7.939
  414    HA   ALA  56           HA       ALA  56  10.340   2.371  -6.756
  415   1HB   ALA  56          HB1       ALA  56   9.340  -0.481  -6.334
  416   2HB   ALA  56          HB2       ALA  56   8.478   0.959  -5.801
  417   3HB   ALA  56          HB3       ALA  56   8.794   0.705  -7.536
  418    H    LEU  57           H        LEU  57  11.957  -0.418  -5.260
  419    HA   LEU  57           HA       LEU  57  12.002   0.419  -2.578
  420   1HB   LEU  57          HB2       LEU  57  12.750  -1.771  -3.386
  421   2HB   LEU  57          HB3       LEU  57  13.991  -0.995  -4.365
  422    HG   LEU  57           HG       LEU  57  15.210  -0.326  -2.272
  423   1HD1  LEU  57          1HD1      LEU  57  13.369  -0.502  -0.631
  424   2HD1  LEU  57          2HD1      LEU  57  13.223  -2.250  -0.955
  425   3HD1  LEU  57          3HD1      LEU  57  14.692  -1.597  -0.207
  426   1HD2  LEU  57          1HD2      LEU  57  16.166  -2.545  -2.024
  427   2HD2  LEU  57          2HD2      LEU  57  14.710  -3.287  -2.747
  428   3HD2  LEU  57          3HD2      LEU  57  15.744  -2.259  -3.730
  429    H    GLN  58           H        GLN  58  13.622   1.901  -5.313
  430    HA   GLN  58           HA       GLN  58  15.193   3.656  -3.505
  431   1HB   GLN  58          HB2       GLN  58  15.072   3.944  -6.521
  432   2HB   GLN  58          HB3       GLN  58  16.325   4.430  -5.371
  433   1HG   GLN  58          HG2       GLN  58  15.692   1.696  -6.501
  434   2HG   GLN  58          HG3       GLN  58  17.161   2.642  -6.711
  435   1HE2  GLN  58          2HE2      GLN  58  16.211  -0.158  -5.342
  436   2HE2  GLN  58          1HE2      GLN  58  17.264  -0.092  -3.909
  437    H    ASP  59           H        ASP  59  12.879   3.944  -6.194
  438    HA   ASP  59           HA       ASP  59  12.336   6.714  -5.547
  439   1HB   ASP  59          HB2       ASP  59  12.381   5.139  -7.864
  440   2HB   ASP  59          HB3       ASP  59  10.689   5.536  -7.674
  441    H    LEU  60           H        LEU  60  10.317   3.840  -5.118
  442    HA   LEU  60           HA       LEU  60   7.941   5.480  -4.547
  443   1HB   LEU  60          HB2       LEU  60   7.900   3.235  -5.691
  444   2HB   LEU  60          HB3       LEU  60   8.317   2.491  -4.159
  445    HG   LEU  60           HG       LEU  60   6.200   2.868  -3.245
  446   1HD1  LEU  60          1HD1      LEU  60   4.490   4.358  -4.412
  447   2HD1  LEU  60          2HD1      LEU  60   5.785   5.194  -3.529
  448   3HD1  LEU  60          3HD1      LEU  60   5.833   5.074  -5.307
  449   1HD2  LEU  60          1HD2      LEU  60   4.660   2.011  -4.928
  450   2HD2  LEU  60          2HD2      LEU  60   5.700   2.626  -6.238
  451   3HD2  LEU  60          3HD2      LEU  60   6.273   1.313  -5.197
  452    H    LEU  61           H        LEU  61  10.478   3.646  -2.958
  453    HA   LEU  61           HA       LEU  61   9.708   3.939  -0.254
  454   1HB   LEU  61          HB2       LEU  61  11.596   2.483  -1.214
  455   2HB   LEU  61          HB3       LEU  61  12.574   3.952  -1.262
  456    HG   LEU  61           HG       LEU  61  11.788   4.085   1.326
  457   1HD1  LEU  61          1HD1      LEU  61  11.870   1.076   0.815
  458   2HD1  LEU  61          2HD1      LEU  61  11.729   1.891   2.379
  459   3HD1  LEU  61          3HD1      LEU  61  10.395   1.987   1.210
  460   1HD2  LEU  61          1HD2      LEU  61  13.874   3.038   1.959
  461   2HD2  LEU  61          2HD2      LEU  61  13.995   2.224   0.384
  462   3HD2  LEU  61          3HD2      LEU  61  14.130   3.985   0.478
  463    H    ARG  62           H        ARG  62  12.045   6.166  -2.047
  464    HA   ARG  62           HA       ARG  62  12.065   8.123   0.017
  465   1HB   ARG  62          HB2       ARG  62  12.994   9.650  -1.529
  466   2HB   ARG  62          HB3       ARG  62  13.661   8.068  -1.885
  467   1HG   ARG  62          HG2       ARG  62  12.051   7.827  -3.755
  468   2HG   ARG  62          HG3       ARG  62  11.387   9.434  -3.411
  469   1HD   ARG  62          HD2       ARG  62  13.634  10.428  -3.898
  470   2HD   ARG  62          HD3       ARG  62  14.218   8.809  -4.321
  471    HE   ARG  62           HE       ARG  62  13.012   8.885  -6.336
  472   1HH1  ARG  62          1HH2      ARG  62  11.992  11.660  -4.495
  473   2HH1  ARG  62          2HH2      ARG  62  10.957  12.235  -5.803
  474   1HH2  ARG  62          2HH1      ARG  62  11.470   9.465  -7.775
  475   2HH2  ARG  62          1HH1      ARG  62  10.714  11.010  -7.664
  476    H    THR  63           H        THR  63   9.742   7.615  -2.554
  477    HA   THR  63           HA       THR  63   8.282  10.042  -2.387
  478    HB   THR  63           HB       THR  63   7.741   7.256  -3.477
  479    HG1  THR  63           HG1      THR  63   8.986   8.194  -4.793
  480   1HG2  THR  63          1HG2      THR  63   5.522   7.903  -3.093
  481   2HG2  THR  63          2HG2      THR  63   5.828   9.579  -3.622
  482   3HG2  THR  63          3HG2      THR  63   5.855   8.232  -4.803
  483    H    LEU  64           H        LEU  64   7.975   7.173  -0.423
  484    HA   LEU  64           HA       LEU  64   5.718   8.476   1.046
  485   1HB   LEU  64          HB2       LEU  64   6.126   5.772   0.099
  486   2HB   LEU  64          HB3       LEU  64   6.084   5.785   1.848
  487    HG   LEU  64           HG       LEU  64   3.986   5.280   0.897
  488   1HD1  LEU  64          1HD1      LEU  64   3.954   6.407   3.037
  489   2HD1  LEU  64          2HD1      LEU  64   3.663   7.972   2.216
  490   3HD1  LEU  64          3HD1      LEU  64   2.482   6.642   2.075
  491   1HD2  LEU  64          1HD2      LEU  64   3.742   8.060  -0.329
  492   2HD2  LEU  64          2HD2      LEU  64   4.197   6.595  -1.211
  493   3HD2  LEU  64          3HD2      LEU  64   2.601   6.690  -0.447
  494    H    LYS  65           H        LYS  65   9.096   7.301   1.443
  495    HA   LYS  65           HA       LYS  65   9.226   7.666   4.236
  496   1HB   LYS  65          HB2       LYS  65  11.199   7.863   1.954
  497   2HB   LYS  65          HB3       LYS  65  11.709   8.433   3.525
  498   1HG   LYS  65          HG2       LYS  65  10.480   5.688   2.990
  499   2HG   LYS  65          HG3       LYS  65  12.186   6.031   3.032
  500   1HD   LYS  65          HD2       LYS  65  10.207   6.001   5.353
  501   2HD   LYS  65          HD3       LYS  65  11.686   5.101   5.131
  502   1HE   LYS  65          HE2       LYS  65  12.442   6.593   6.688
  503   2HE   LYS  65          HE3       LYS  65  12.858   7.482   5.234
  504   1HZ   LYS  65          HZ1       LYS  65  11.768   8.883   6.843
  505   2HZ   LYS  65          HZ2       LYS  65  10.782   8.772   5.549
  506   3HZ   LYS  65          HZ3       LYS  65  10.455   7.926   6.909
  507    H    SER  66           H        SER  66   9.004   9.965   1.634
  508    HA   SER  66           HA       SER  66   9.264  12.331   3.393
  509   1HB   SER  66          HB2       SER  66   8.576  13.520   1.264
  510   2HB   SER  66          HB3       SER  66  10.171  12.775   1.264
  511    HG   SER  66           HG       SER  66   9.345  11.078   0.013
  512    HA   PRO  67           HA       PRO  67   5.193  10.735   4.242
  513   1HB   PRO  67          HB2       PRO  67   4.770  13.164   5.999
  514   2HB   PRO  67          HB3       PRO  67   4.622  11.446   6.453
  515   1HG   PRO  67          HG2       PRO  67   6.781  12.909   7.241
  516   2HG   PRO  67          HG3       PRO  67   6.964  11.216   6.675
  517   1HD   PRO  67          HD2       PRO  67   7.379  13.775   5.099
  518   2HD   PRO  67          HD3       PRO  67   8.456  12.352   5.271
  519    H    SER  68           H        SER  68   2.907  11.272   4.420
  520    HA   SER  68           HA       SER  68   1.911  11.888   2.080
  521   1HB   SER  68          HB2       SER  68   0.362  12.293   4.645
  522   2HB   SER  68          HB3       SER  68  -0.194  11.632   3.087
  523    HG   SER  68           HG       SER  68   0.305  10.092   4.825
  524    H    SER  69           H        SER  69   2.874  14.357   4.213
  525    HA   SER  69           HA       SER  69   1.284  16.630   3.593
  526   1HB   SER  69          HB2       SER  69   3.424  17.833   4.146
  527   2HB   SER  69          HB3       SER  69   2.971  16.625   5.369
  528    HG   SER  69           HG       SER  69   4.605  15.863   3.241
  529    HA   PRO  70           HA       PRO  70   0.867  17.327  -0.675
  530   1HB   PRO  70          HB2       PRO  70   3.677  18.369  -0.396
  531   2HB   PRO  70          HB3       PRO  70   2.405  18.893  -1.557
  532   1HG   PRO  70          HG2       PRO  70   2.736  19.932   1.051
  533   2HG   PRO  70          HG3       PRO  70   1.224  20.023   0.099
  534   1HD   PRO  70          HD2       PRO  70   1.530  18.630   2.528
  535   2HD   PRO  70          HD3       PRO  70   0.204  18.402   1.358
  536    H    GLN  71           H        GLN  71   3.123  14.964   0.367
  537    HA   GLN  71           HA       GLN  71   3.624  13.799  -2.219
  538   1HB   GLN  71          HB2       GLN  71   3.738  12.583   0.600
  539   2HB   GLN  71          HB3       GLN  71   4.212  11.751  -0.870
  540   1HG   GLN  71          HG2       GLN  71   5.414  14.410   0.063
  541   2HG   GLN  71          HG3       GLN  71   6.097  12.835   0.401
  542   1HE2  GLN  71          2HE2      GLN  71   6.383  11.375  -1.692
  543   2HE2  GLN  71          1HE2      GLN  71   7.054  12.309  -3.068
  544    H    GLN  72           H        GLN  72   0.856  14.046  -0.411
  545    HA   GLN  72           HA       GLN  72  -0.817  11.957  -0.630
  546   1HB   GLN  72          HB2       GLN  72  -2.623  13.636  -0.643
  547   2HB   GLN  72          HB3       GLN  72  -1.293  14.192   0.364
  548   1HG   GLN  72          HG2       GLN  72  -0.503  15.625  -1.550
  549   2HG   GLN  72          HG3       GLN  72  -1.876  15.076  -2.509
  550   1HE2  GLN  72          2HE2      GLN  72  -3.944  15.942  -2.106
  551   2HE2  GLN  72          1HE2      GLN  72  -4.186  17.242  -0.932
  552    H    GLN  73           H        GLN  73   0.490  13.191  -3.551
  553    HA   GLN  73           HA       GLN  73  -1.959  12.395  -5.060
  554   1HB   GLN  73          HB2       GLN  73  -1.367  14.174  -6.724
  555   2HB   GLN  73          HB3       GLN  73  -1.980  14.671  -5.187
  556   1HG   GLN  73          HG2       GLN  73  -0.050  16.050  -6.166
  557   2HG   GLN  73          HG3       GLN  73   0.043  15.596  -4.472
  558   1HE2  GLN  73          2HE2      GLN  73   2.168  15.297  -3.982
  559   2HE2  GLN  73          1HE2      GLN  73   3.190  14.210  -4.875
  560    H    GLN  74           H        GLN  74  -1.264  12.487  -7.521
  561    HA   GLN  74           HA       GLN  74  -0.679   9.942  -8.105
  562   1HB   GLN  74          HB2       GLN  74  -0.595  12.454  -9.777
  563   2HB   GLN  74          HB3       GLN  74  -0.220  10.883 -10.479
  564   1HG   GLN  74          HG2       GLN  74  -2.570  11.433 -10.822
  565   2HG   GLN  74          HG3       GLN  74  -2.376   9.971  -9.842
  566   1HE2  GLN  74          2HE2      GLN  74  -4.427  10.074  -8.661
  567   2HE2  GLN  74          1HE2      GLN  74  -4.705  11.467  -7.606
  568    H    GLN  75           H        GLN  75   2.075  12.094  -7.360
  569    HA   GLN  75           HA       GLN  75   3.925  10.448  -8.876
  570   1HB   GLN  75          HB2       GLN  75   5.494  11.761  -8.158
  571   2HB   GLN  75          HB3       GLN  75   4.261  12.770  -7.446
  572   1HG   GLN  75          HG2       GLN  75   5.750  10.577  -5.903
  573   2HG   GLN  75          HG3       GLN  75   6.254  12.250  -6.005
  574   1HE2  GLN  75          2HE2      GLN  75   3.883  10.077  -4.484
  575   2HE2  GLN  75          1HE2      GLN  75   3.211  11.306  -3.446
  576    H    VAL  76           H        VAL  76   2.139   9.662  -5.969
  577    HA   VAL  76           HA       VAL  76   3.922   7.373  -5.435
  578    HB   VAL  76           HB       VAL  76   0.976   7.320  -4.674
  579   1HG1  VAL  76          1HG1      VAL  76   2.436   5.314  -4.363
  580   2HG1  VAL  76          2HG1      VAL  76   3.528   6.317  -3.368
  581   3HG1  VAL  76          3HG1      VAL  76   1.869   5.962  -2.830
  582   1HG2  VAL  76          1HG2      VAL  76   3.094   8.691  -2.995
  583   2HG2  VAL  76          2HG2      VAL  76   1.655   9.461  -3.740
  584   3HG2  VAL  76          3HG2      VAL  76   1.455   8.224  -2.496
  585    H    LEU  77           H        LEU  77   0.765   7.905  -6.925
  586    HA   LEU  77           HA       LEU  77   0.265   5.296  -7.708
  587   1HB   LEU  77          HB2       LEU  77  -1.071   7.735  -7.782
  588   2HB   LEU  77          HB3       LEU  77  -0.978   7.305  -9.493
  589    HG   LEU  77           HG       LEU  77  -2.002   5.474  -7.263
  590   1HD1  LEU  77          1HD1      LEU  77  -3.440   7.475  -7.537
  591   2HD1  LEU  77          2HD1      LEU  77  -3.572   7.142  -9.274
  592   3HD1  LEU  77          3HD1      LEU  77  -4.239   5.994  -8.090
  593   1HD2  LEU  77          1HD2      LEU  77  -2.145   5.242 -10.303
  594   2HD2  LEU  77          2HD2      LEU  77  -1.224   4.195  -9.197
  595   3HD2  LEU  77          3HD2      LEU  77  -2.997   4.190  -9.158
  596    H    ASN  78           H        ASN  78   1.919   7.855  -9.486
  597    HA   ASN  78           HA       ASN  78   2.281   6.566 -11.938
  598   1HB   ASN  78          HB2       ASN  78   2.581   8.997 -11.527
  599   2HB   ASN  78          HB3       ASN  78   4.011   8.649 -10.547
  600   1HD2  ASN  78          2HD2      ASN  78   5.928   8.988 -11.739
  601   2HD2  ASN  78          1HD2      ASN  78   6.011   8.698 -13.473
  602    H    ILE  79           H        ILE  79   4.232   6.259  -8.892
  603    HA   ILE  79           HA       ILE  79   6.169   4.578 -10.345
  604    HB   ILE  79           HB       ILE  79   6.041   5.170  -7.397
  605   1HG1  ILE  79          2HG1      ILE  79   7.958   6.423  -9.405
  606   2HG1  ILE  79          3HG1      ILE  79   6.438   7.215  -8.989
  607   1HG2  ILE  79          1HG2      ILE  79   8.173   3.979  -9.272
  608   2HG2  ILE  79          2HG2      ILE  79   8.489   4.363  -7.585
  609   3HG2  ILE  79          3HG2      ILE  79   7.318   3.102  -7.993
  610   1HD1  ILE  79          1HD1      ILE  79   8.136   8.171  -7.613
  611   2HD1  ILE  79          2HD1      ILE  79   7.052   7.210  -6.587
  612   3HD1  ILE  79          3HD1      ILE  79   8.646   6.573  -7.030
  613    H    LEU  80           H        LEU  80   3.617   4.227  -7.864
  614    HA   LEU  80           HA       LEU  80   3.480   1.593  -7.188
  615   1HB   LEU  80          HB2       LEU  80   1.543   3.785  -7.745
  616   2HB   LEU  80          HB3       LEU  80   0.813   2.212  -7.740
  617    HG   LEU  80           HG       LEU  80   2.449   3.247  -5.391
  618   1HD1  LEU  80          1HD1      LEU  80   0.608   4.857  -5.661
  619   2HD1  LEU  80          2HD1      LEU  80  -0.560   3.523  -5.911
  620   3HD1  LEU  80          3HD1      LEU  80   0.222   3.773  -4.339
  621   1HD2  LEU  80          1HD2      LEU  80   0.188   1.188  -5.698
  622   2HD2  LEU  80          2HD2      LEU  80   1.910   0.785  -5.452
  623   3HD2  LEU  80          3HD2      LEU  80   0.976   1.624  -4.183
  624    H    LYS  81           H        LYS  81   1.958   2.930 -10.168
  625    HA   LYS  81           HA       LYS  81   0.923   0.481 -11.110
  626   1HB   LYS  81          HB2       LYS  81   0.452   1.602 -13.125
  627   2HB   LYS  81          HB3       LYS  81   0.285   2.797 -11.842
  628   1HG   LYS  81          HG2       LYS  81   2.670   3.564 -12.366
  629   2HG   LYS  81          HG3       LYS  81   2.625   2.480 -13.763
  630   1HD   LYS  81          HD2       LYS  81   0.466   3.712 -14.413
  631   2HD   LYS  81          HD3       LYS  81   0.981   4.987 -13.283
  632   1HE   LYS  81          HE2       LYS  81   2.549   3.869 -15.647
  633   2HE   LYS  81          HE3       LYS  81   1.736   5.426 -15.655
  634   1HZ   LYS  81          HZ1       LYS  81   3.335   6.343 -14.261
  635   2HZ   LYS  81          HZ2       LYS  81   3.809   4.949 -13.619
  636   3HZ   LYS  81          HZ3       LYS  81   4.245   5.340 -15.155
  637    H    SER  82           H        SER  82   4.227   1.415 -11.165
  638    HA   SER  82           HA       SER  82   4.967  -0.327 -13.411
  639   1HB   SER  82          HB2       SER  82   7.232   0.296 -12.960
  640   2HB   SER  82          HB3       SER  82   6.254   1.776 -12.854
  641    HG   SER  82           HG       SER  82   6.358   1.524 -10.547
  642    H    ASN  83           H        ASN  83   4.158  -0.956 -10.172
  643    HA   ASN  83           HA       ASN  83   5.812  -3.451 -10.174
  644   1HB   ASN  83          HB2       ASN  83   5.131  -1.850  -7.689
  645   2HB   ASN  83          HB3       ASN  83   6.434  -3.037  -7.912
  646   1HD2  ASN  83          2HD2      ASN  83   8.053  -2.122  -9.823
  647   2HD2  ASN  83          1HD2      ASN  83   8.089  -0.353  -9.889
  648    HA   PRO  84           HA       PRO  84   1.307  -4.300 -10.427
  649   1HB   PRO  84          HB2       PRO  84   2.549  -6.999 -10.987
  650   2HB   PRO  84          HB3       PRO  84   1.093  -6.228 -11.715
  651   1HG   PRO  84          HG2       PRO  84   3.468  -6.160 -13.013
  652   2HG   PRO  84          HG3       PRO  84   2.405  -4.720 -12.973
  653   1HD   PRO  84          HD2       PRO  84   4.899  -5.247 -11.387
  654   2HD   PRO  84          HD3       PRO  84   4.253  -3.727 -12.071
  655    H    GLN  85           H        GLN  85   3.357  -6.802  -8.833
  656    HA   GLN  85           HA       GLN  85   1.367  -7.657  -6.985
  657   1HB   GLN  85          HB2       GLN  85   4.406  -7.780  -6.906
  658   2HB   GLN  85          HB3       GLN  85   3.359  -8.519  -5.678
  659   1HG   GLN  85          HG2       GLN  85   2.287  -9.930  -7.302
  660   2HG   GLN  85          HG3       GLN  85   3.139  -9.134  -8.639
  661   1HE2  GLN  85          2HE2      GLN  85   4.758 -10.055  -5.580
  662   2HE2  GLN  85          1HE2      GLN  85   5.869 -11.147  -6.368
  663    H    LEU  86           H        LEU  86   3.800  -5.113  -6.650
  664    HA   LEU  86           HA       LEU  86   3.280  -4.450  -3.855
  665   1HB   LEU  86          HB2       LEU  86   5.285  -3.840  -5.515
  666   2HB   LEU  86          HB3       LEU  86   4.235  -2.463  -5.885
  667    HG   LEU  86           HG       LEU  86   5.593  -3.144  -3.253
  668   1HD1  LEU  86          1HD1      LEU  86   6.547  -0.842  -3.665
  669   2HD1  LEU  86          2HD1      LEU  86   6.931  -1.979  -4.963
  670   3HD1  LEU  86          3HD1      LEU  86   5.632  -0.786  -5.177
  671   1HD2  LEU  86          1HD2      LEU  86   3.469  -1.012  -3.748
  672   2HD2  LEU  86          2HD2      LEU  86   3.430  -2.320  -2.536
  673   3HD2  LEU  86          3HD2      LEU  86   4.583  -1.017  -2.367
  674    H    MET  87           H        MET  87   2.063  -3.265  -7.006
  675    HA   MET  87           HA       MET  87   0.323  -1.278  -5.982
  676   1HB   MET  87          HB2       MET  87   1.001  -2.226  -8.509
  677   2HB   MET  87          HB3       MET  87  -0.691  -2.727  -8.377
  678   1HG   MET  87          HG2       MET  87   0.388   0.062  -7.872
  679   2HG   MET  87          HG3       MET  87  -0.371  -0.449  -9.372
  680   1HE   MET  87          HE1       MET  87  -1.338   2.151  -7.781
  681   2HE   MET  87          HE2       MET  87  -1.865   1.496  -9.365
  682   3HE   MET  87          HE3       MET  87  -3.063   1.903  -8.102
  683    H    ALA  88           H        ALA  88  -0.466  -4.712  -6.792
  684    HA   ALA  88           HA       ALA  88  -3.092  -4.627  -5.681
  685   1HB   ALA  88          HB1       ALA  88  -2.366  -6.443  -7.173
  686   2HB   ALA  88          HB2       ALA  88  -1.235  -7.035  -5.917
  687   3HB   ALA  88          HB3       ALA  88  -3.000  -7.056  -5.643
  688    H    ALA  89           H        ALA  89   0.037  -5.519  -4.107
  689    HA   ALA  89           HA       ALA  89  -1.048  -6.104  -1.567
  690   1HB   ALA  89          HB1       ALA  89   1.222  -6.712  -2.288
  691   2HB   ALA  89          HB2       ALA  89   1.689  -4.990  -2.275
  692   3HB   ALA  89          HB3       ALA  89   1.230  -5.824  -0.762
  693    H    PHE  90           H        PHE  90   0.065  -2.910  -2.866
  694    HA   PHE  90           HA       PHE  90  -0.528  -1.363  -0.555
  695   1HB   PHE  90          HB2       PHE  90   0.688  -0.340  -2.343
  696   2HB   PHE  90          HB3       PHE  90  -0.575  -0.693  -3.512
  697    HD1  PHE  90           HD1      PHE  90   0.188   1.501  -0.449
  698    HD2  PHE  90           HD2      PHE  90  -2.424   0.864  -3.885
  699    HE1  PHE  90           HE1      PHE  90  -0.548   3.760  -0.309
  700    HE2  PHE  90           HE2      PHE  90  -3.331   3.101  -3.539
  701    HZ   PHE  90           HZ       PHE  90  -2.349   4.601  -1.782
  702    H    ILE  91           H        ILE  91  -2.652  -2.004  -3.455
  703    HA   ILE  91           HA       ILE  91  -4.971  -0.868  -2.371
  704    HB   ILE  91           HB       ILE  91  -4.704  -3.207  -4.291
  705   1HG1  ILE  91          2HG1      ILE  91  -5.380  -0.245  -4.672
  706   2HG1  ILE  91          3HG1      ILE  91  -3.814  -0.982  -5.011
  707   1HG2  ILE  91          1HG2      ILE  91  -7.113  -2.798  -4.844
  708   2HG2  ILE  91          2HG2      ILE  91  -6.926  -3.344  -3.187
  709   3HG2  ILE  91          3HG2      ILE  91  -7.194  -1.627  -3.496
  710   1HD1  ILE  91          1HD1      ILE  91  -4.928  -2.449  -6.730
  711   2HD1  ILE  91          2HD1      ILE  91  -6.402  -1.446  -6.524
  712   3HD1  ILE  91          3HD1      ILE  91  -4.909  -0.715  -7.095
  713    H    LYS  92           H        LYS  92  -4.073  -4.342  -2.094
  714    HA   LYS  92           HA       LYS  92  -6.168  -5.107  -0.413
  715   1HB   LYS  92          HB2       LYS  92  -4.720  -6.675  -1.639
  716   2HB   LYS  92          HB3       LYS  92  -3.347  -6.189  -0.648
  717   1HG   LYS  92          HG2       LYS  92  -4.159  -8.344   0.019
  718   2HG   LYS  92          HG3       LYS  92  -4.376  -7.206   1.330
  719   1HD   LYS  92          HD2       LYS  92  -6.647  -7.826  -0.596
  720   2HD   LYS  92          HD3       LYS  92  -6.278  -8.917   0.744
  721   1HE   LYS  92          HE2       LYS  92  -6.499  -6.983   2.336
  722   2HE   LYS  92          HE3       LYS  92  -7.077  -5.990   1.005
  723   1HZ   LYS  92          HZ1       LYS  92  -9.063  -6.976   1.070
  724   2HZ   LYS  92          HZ2       LYS  92  -8.468  -8.472   1.241
  725   3HZ   LYS  92          HZ3       LYS  92  -8.601  -7.542   2.558
  726    H    GLN  93           H        GLN  93  -2.840  -4.161   0.653
  727    HA   GLN  93           HA       GLN  93  -3.524  -4.457   3.415
  728   1HB   GLN  93          HB2       GLN  93  -1.150  -4.372   2.163
  729   2HB   GLN  93          HB3       GLN  93  -1.220  -2.686   2.689
  730   1HG   GLN  93          HG2       GLN  93  -1.286  -5.250   4.344
  731   2HG   GLN  93          HG3       GLN  93  -0.049  -3.997   4.335
  732   1HE2  GLN  93          2HE2      GLN  93  -0.766  -1.788   5.341
  733   2HE2  GLN  93          1HE2      GLN  93  -1.983  -1.950   6.635
  734    H    ARG  94           H        ARG  94  -3.564  -1.553   1.240
  735    HA   ARG  94           HA       ARG  94  -4.229   0.376   3.225
  736   1HB   ARG  94          HB2       ARG  94  -5.030   0.174   0.327
  737   2HB   ARG  94          HB3       ARG  94  -5.470   1.542   1.352
  738   1HG   ARG  94          HG2       ARG  94  -2.623   0.731   0.621
  739   2HG   ARG  94          HG3       ARG  94  -3.548   2.074  -0.032
  740   1HD   ARG  94          HD2       ARG  94  -2.593   1.639   2.821
  741   2HD   ARG  94          HD3       ARG  94  -1.885   2.762   1.656
  742    HE   ARG  94           HE       ARG  94  -4.381   3.708   1.748
  743   1HH1  ARG  94          2HH1      ARG  94  -2.124   2.976   4.427
  744   2HH1  ARG  94          1HH1      ARG  94  -2.638   4.435   5.270
  745   1HH2  ARG  94          2HH2      ARG  94  -5.021   5.355   3.098
  746   2HH2  ARG  94          1HH2      ARG  94  -4.174   5.624   4.651
  747    H    THR  95           H        THR  95  -6.476  -1.758   1.270
  748    HA   THR  95           HA       THR  95  -8.846  -1.004   2.617
  749    HB   THR  95           HB       THR  95  -8.497  -3.870   1.782
  750    HG1  THR  95           HG1      THR  95  -8.572  -3.442  -0.240
  751   1HG2  THR  95          1HG2      THR  95 -10.772  -3.505   0.948
  752   2HG2  THR  95          2HG2      THR  95 -10.718  -2.853   2.597
  753   3HG2  THR  95          3HG2      THR  95 -10.599  -1.748   1.201
  754    H    ALA  96           H        ALA  96  -6.528  -3.589   3.504
  755    HA   ALA  96           HA       ALA  96  -7.906  -4.479   5.826
  756   1HB   ALA  96          HB1       ALA  96  -5.758  -5.541   6.412
  757   2HB   ALA  96          HB2       ALA  96  -6.203  -5.810   4.715
  758   3HB   ALA  96          HB3       ALA  96  -4.957  -4.617   5.118
  759    H    LYS  97           H        LYS  97  -5.290  -2.044   5.525
  760    HA   LYS  97           HA       LYS  97  -5.144  -1.229   8.225
  761   1HB   LYS  97          HB2       LYS  97  -3.580   0.173   7.455
  762   2HB   LYS  97          HB3       LYS  97  -3.903  -0.451   5.866
  763   1HG   LYS  97          HG2       LYS  97  -3.975   1.786   5.493
  764   2HG   LYS  97          HG3       LYS  97  -5.691   1.488   5.696
  765   1HD   LYS  97          HD2       LYS  97  -5.075   2.018   8.283
  766   2HD   LYS  97          HD3       LYS  97  -3.738   2.870   7.493
  767   1HE   LYS  97          HE2       LYS  97  -5.396   4.170   6.146
  768   2HE   LYS  97          HE3       LYS  97  -6.706   3.295   6.949
  769   1HZ   LYS  97          HZ1       LYS  97  -6.339   5.382   8.096
  770   2HZ   LYS  97          HZ2       LYS  97  -5.885   4.190   9.079
  771   3HZ   LYS  97          HZ3       LYS  97  -4.731   5.007   8.342
  772    H    TYR  98           H        TYR  98  -7.409  -0.064   5.703
  773    HA   TYR  98           HA       TYR  98  -8.764   1.771   7.402
  774   1HB   TYR  98          HB2       TYR  98  -9.644   0.263   4.927
  775   2HB   TYR  98          HB3       TYR  98 -10.743   1.294   5.850
  776    HD1  TYR  98           HD1      TYR  98  -9.587   3.679   6.537
  777    HD2  TYR  98           HD2      TYR  98  -8.724   1.269   3.080
  778    HE1  TYR  98           HE1      TYR  98  -8.864   5.709   5.313
  779    HE2  TYR  98           HE2      TYR  98  -8.131   3.258   1.792
  780    HH   TYR  98           HH       TYR  98  -7.283   5.689   2.388
  781    H    VAL  99           H        VAL  99  -9.826  -1.647   6.687
  782    HA   VAL  99           HA       VAL  99 -11.876  -1.442   8.654
  783    HB   VAL  99           HB       VAL  99 -12.162  -3.831   8.471
  784   1HG1  VAL  99          1HG1      VAL  99 -13.021  -2.301   6.688
  785   2HG1  VAL  99          2HG1      VAL  99 -11.548  -2.567   5.755
  786   3HG1  VAL  99          3HG1      VAL  99 -12.651  -3.930   6.089
  787   1HG2  VAL  99          1HG2      VAL  99  -9.686  -3.879   6.741
  788   2HG2  VAL  99          2HG2      VAL  99  -9.793  -4.553   8.405
  789   3HG2  VAL  99          3HG2      VAL  99 -10.789  -5.240   7.121
  790    H    ALA 100           H        ALA 100  -8.465  -2.160   9.102
  791    HA   ALA 100           HA       ALA 100  -8.810  -3.094  11.821
  792   1HB   ALA 100          HB1       ALA 100  -6.332  -3.099  11.823
  793   2HB   ALA 100          HB2       ALA 100  -6.974  -3.900  10.388
  794   3HB   ALA 100          HB3       ALA 100  -6.329  -2.243  10.270
  795    H    ASN 101           H        ASN 101  -8.086   0.093  10.425
  796    HA   ASN 101           HA       ASN 101  -7.818   1.201  13.190
  797   1HB   ASN 101          HB2       ASN 101  -5.671   1.169  12.394
  798   2HB   ASN 101          HB3       ASN 101  -6.139   1.417  10.724
  799   1HD2  ASN 101          2HD2      ASN 101  -5.885   3.253  13.848
  800   2HD2  ASN 101          1HD2      ASN 101  -5.521   4.739  12.947
  801    H    GLN 102           H        GLN 102  -9.584   1.633  10.222
  802    HA   GLN 102           HA       GLN 102 -11.068   3.846  11.448
  803   1HB   GLN 102          HB2       GLN 102  -9.771   4.082   8.716
  804   2HB   GLN 102          HB3       GLN 102 -11.036   5.157   9.337
  805   1HG   GLN 102          HG2       GLN 102  -9.547   5.981  11.101
  806   2HG   GLN 102          HG3       GLN 102  -8.270   4.888  10.546
  807   1HE2  GLN 102          2HE2      GLN 102  -9.749   8.018  10.030
  808   2HE2  GLN 102          1HE2      GLN 102  -8.744   8.371   8.610
  809    HA   PRO 103           HA       PRO 103 -13.287   0.521   8.922
  810   1HB   PRO 103          HB2       PRO 103 -14.782  -0.706  10.906
  811   2HB   PRO 103          HB3       PRO 103 -13.140  -1.190  10.453
  812   1HG   PRO 103          HG2       PRO 103 -13.994   0.578  12.755
  813   2HG   PRO 103          HG3       PRO 103 -12.788  -0.746  12.736
  814   1HD   PRO 103          HD2       PRO 103 -12.079   1.898  12.574
  815   2HD   PRO 103          HD3       PRO 103 -11.173   0.628  11.697
  816    H    GLY 104           H        GLY 104 -14.765   2.279  11.679
  817   1HA   GLY 104          HA2       GLY 104 -16.714   3.560  11.804
  818   2HA   GLY 104          HA3       GLY 104 -16.935   3.396  10.053
  819    H    MET 105           H        MET 105 -17.269   0.855   9.520
  820    HA   MET 105           HA       MET 105 -19.237  -0.315  11.443
  821   1HB   MET 105          HB2       MET 105 -20.988  -0.485   9.840
  822   2HB   MET 105          HB3       MET 105 -20.469   1.192   9.926
  823   1HG   MET 105          HG2       MET 105 -19.160   0.888   7.829
  824   2HG   MET 105          HG3       MET 105 -19.716  -0.785   7.736
  825   1HE   MET 105          HE1       MET 105 -20.505  -0.468   5.289
  826   2HE   MET 105          HE2       MET 105 -21.581   0.831   4.744
  827   3HE   MET 105          HE3       MET 105 -19.945   1.213   5.342
  828    H    GLN 106           H        GLN 106 -16.792  -1.084   9.072
  829    HA   GLN 106           HA       GLN 106 -17.362  -3.959   9.332
  830   1HB   GLN 106          HB2       GLN 106 -17.601  -4.380   7.038
  831   2HB   GLN 106          HB3       GLN 106 -18.681  -3.050   7.366
  832   1HG   GLN 106          HG2       GLN 106 -15.986  -2.912   5.925
  833   2HG   GLN 106          HG3       GLN 106 -17.575  -2.766   5.210
  834   1HE2  GLN 106          2HE2      GLN 106 -15.379  -1.189   7.522
  835   2HE2  GLN 106          1HE2      GLN 106 -15.974   0.440   7.275
  Start of MODEL   17
    1   1H    GLU   1          H1        GLU   1  16.531  -9.206  -7.427
    2   2H    GLU   1          H2        GLU   1  17.918  -9.526  -8.289
    3   3H    GLU   1          H3        GLU   1  16.604  -8.848  -9.026
    4    HA   GLU   1           HA       GLU   1  15.300 -10.834  -8.489
    5   1HB   GLU   1          HB2       GLU   1  17.446 -10.639 -10.558
    6   2HB   GLU   1          HB3       GLU   1  16.661 -12.200 -10.328
    7   1HG   GLU   1          HG2       GLU   1  15.409 -11.106 -11.990
    8   2HG   GLU   1          HG3       GLU   1  14.435 -11.162 -10.520
    9    H    GLY   2           H        GLY   2  15.518 -11.758  -6.451
   10   1HA   GLY   2          HA2       GLY   2  16.989 -14.337  -6.617
   11   2HA   GLY   2          HA3       GLY   2  17.200 -13.298  -5.204
   12    H    GLN   3           H        GLN   3  14.148 -12.609  -5.864
   13    HA   GLN   3           HA       GLN   3  12.110 -13.032  -5.241
   14   1HB   GLN   3          HB2       GLN   3  12.800 -15.952  -4.890
   15   2HB   GLN   3          HB3       GLN   3  11.198 -15.198  -4.724
   16   1HG   GLN   3          HG2       GLN   3  11.558 -14.214  -7.074
   17   2HG   GLN   3          HG3       GLN   3  12.941 -15.265  -7.241
   18   1HE2  GLN   3          2HE2      GLN   3  12.426 -17.765  -6.643
   19   2HE2  GLN   3          1HE2      GLN   3  10.874 -18.288  -7.307
   20    H    SER   4           H        SER   4  14.648 -14.360  -3.184
   21    HA   SER   4           HA       SER   4  13.601 -13.665  -0.639
   22   1HB   SER   4          HB2       SER   4  16.451 -13.659  -1.697
   23   2HB   SER   4          HB3       SER   4  15.980 -13.639   0.024
   24    HG   SER   4           HG       SER   4  16.421 -15.779  -0.810
   25    H    ASP   5           H        ASP   5  14.567 -11.595  -3.320
   26    HA   ASP   5           HA       ASP   5  14.897  -9.239  -1.630
   27   1HB   ASP   5          HB2       ASP   5  15.386  -8.124  -3.795
   28   2HB   ASP   5          HB3       ASP   5  16.476  -9.459  -3.531
   29    H    GLU   6           H        GLU   6  12.953 -10.503  -4.342
   30    HA   GLU   6           HA       GLU   6  11.105  -8.457  -4.377
   31   1HB   GLU   6          HB2       GLU   6  11.472 -10.371  -6.022
   32   2HB   GLU   6          HB3       GLU   6  10.388 -11.341  -5.031
   33   1HG   GLU   6          HG2       GLU   6   9.502  -8.581  -5.968
   34   2HG   GLU   6          HG3       GLU   6   9.576  -9.866  -7.141
   35    H    ARG   7           H        ARG   7  10.780 -11.422  -2.424
   36    HA   ARG   7           HA       ARG   7   8.086 -10.546  -1.677
   37   1HB   ARG   7          HB2       ARG   7   9.443 -13.034  -1.433
   38   2HB   ARG   7          HB3       ARG   7   9.054 -12.550   0.219
   39   1HG   ARG   7          HG2       ARG   7   7.093 -12.707  -2.109
   40   2HG   ARG   7          HG3       ARG   7   7.244 -13.879  -0.804
   41   1HD   ARG   7          HD2       ARG   7   6.320 -10.975  -0.502
   42   2HD   ARG   7          HD3       ARG   7   5.293 -12.392  -0.487
   43    HE   ARG   7           HE       ARG   7   6.714 -11.280   1.716
   44   1HH1  ARG   7          2HH1      ARG   7   5.798 -14.472   0.661
   45   2HH1  ARG   7          1HH1      ARG   7   5.851 -15.095   2.312
   46   1HH2  ARG   7          2HH2      ARG   7   6.668 -11.946   3.515
   47   2HH2  ARG   7          1HH2      ARG   7   6.353 -13.609   4.049
   48    H    ALA   8           H        ALA   8  11.224 -10.530  -0.035
   49    HA   ALA   8           HA       ALA   8  10.294  -9.293   2.382
   50   1HB   ALA   8          HB1       ALA   8  12.690  -8.865   2.761
   51   2HB   ALA   8          HB2       ALA   8  12.439 -10.530   2.162
   52   3HB   ALA   8          HB3       ALA   8  13.055  -9.273   1.078
   53    H    LEU   9           H        LEU   9  11.468  -7.880  -0.784
   54    HA   LEU   9           HA       LEU   9  11.365  -5.295   0.444
   55   1HB   LEU   9          HB2       LEU   9  12.549  -4.495  -1.055
   56   2HB   LEU   9          HB3       LEU   9  12.827  -6.089  -1.617
   57    HG   LEU   9           HG       LEU   9  12.483  -4.363  -3.321
   58   1HD1  LEU   9          1HD1      LEU   9  10.377  -6.509  -3.488
   59   2HD1  LEU   9          2HD1      LEU   9  11.178  -5.665  -4.852
   60   3HD1  LEU   9          3HD1      LEU   9  12.116  -6.721  -3.790
   61   1HD2  LEU   9          1HD2      LEU   9  10.548  -3.179  -3.786
   62   2HD2  LEU   9          2HD2      LEU   9   9.508  -4.221  -2.822
   63   3HD2  LEU   9          3HD2      LEU   9  10.662  -3.118  -2.029
   64    H    LEU  10           H        LEU  10   9.114  -7.181  -1.517
   65    HA   LEU  10           HA       LEU  10   7.025  -5.287  -1.859
   66   1HB   LEU  10          HB2       LEU  10   7.073  -7.384  -3.060
   67   2HB   LEU  10          HB3       LEU  10   7.184  -8.321  -1.576
   68    HG   LEU  10           HG       LEU  10   4.862  -7.814  -1.000
   69   1HD1  LEU  10          1HD1      LEU  10   4.548  -5.640  -2.099
   70   2HD1  LEU  10          2HD1      LEU  10   4.803  -6.408  -3.694
   71   3HD1  LEU  10          3HD1      LEU  10   3.375  -6.814  -2.721
   72   1HD2  LEU  10          1HD2      LEU  10   5.492  -9.797  -2.412
   73   2HD2  LEU  10          2HD2      LEU  10   3.856  -9.198  -2.773
   74   3HD2  LEU  10          3HD2      LEU  10   5.212  -8.830  -3.863
   75    H    ASP  11           H        ASP  11   7.638  -7.626   0.783
   76    HA   ASP  11           HA       ASP  11   5.531  -6.741   2.444
   77   1HB   ASP  11          HB2       ASP  11   8.122  -8.206   2.991
   78   2HB   ASP  11          HB3       ASP  11   7.096  -7.719   4.328
   79    H    GLN  12           H        GLN  12   8.985  -5.603   2.698
   80    HA   GLN  12           HA       GLN  12   8.159  -3.654   4.644
   81   1HB   GLN  12          HB2       GLN  12  10.348  -2.729   4.524
   82   2HB   GLN  12          HB3       GLN  12  10.442  -4.489   4.379
   83   1HG   GLN  12          HG2       GLN  12  12.033  -3.800   2.920
   84   2HG   GLN  12          HG3       GLN  12  10.630  -4.270   1.957
   85   1HE2  GLN  12          2HE2      GLN  12  10.244  -2.917   0.256
   86   2HE2  GLN  12          1HE2      GLN  12  10.769  -1.211   0.241
   87    H    LEU  13           H        LEU  13   8.031  -3.481   1.085
   88    HA   LEU  13           HA       LEU  13   7.600  -0.643   1.168
   89   1HB   LEU  13          HB2       LEU  13   8.558  -1.958  -0.757
   90   2HB   LEU  13          HB3       LEU  13   6.946  -2.561  -1.092
   91    HG   LEU  13           HG       LEU  13   6.200  -0.355  -1.733
   92   1HD1  LEU  13          1HD1      LEU  13   7.197   1.106  -0.075
   93   2HD1  LEU  13          2HD1      LEU  13   8.841   0.742  -0.668
   94   3HD1  LEU  13          3HD1      LEU  13   7.676   1.635  -1.679
   95   1HD2  LEU  13          1HD2      LEU  13   7.779  -1.679  -3.285
   96   2HD2  LEU  13          2HD2      LEU  13   7.653   0.055  -3.616
   97   3HD2  LEU  13          3HD2      LEU  13   9.068  -0.598  -2.759
   98    H    HIS  14           H        HIS  14   5.317  -3.481   1.078
   99    HA   HIS  14           HA       HIS  14   3.036  -1.640   1.019
  100   1HB   HIS  14          HB2       HIS  14   1.579  -3.425   1.165
  101   2HB   HIS  14          HB3       HIS  14   2.886  -3.994   0.162
  102    HD2  HIS  14           HD2      HIS  14   3.655  -6.373   0.699
  103    HE1  HIS  14           HE1      HIS  14   2.432  -6.666   4.769
  104    HE2  HIS  14           HE2      HIS  14   3.598  -7.874   2.824
  105    H    THR  15           H        THR  15   4.913  -3.162   3.608
  106    HA   THR  15           HA       THR  15   3.279  -2.156   5.733
  107    HB   THR  15           HB       THR  15   6.281  -2.456   5.976
  108    HG1  THR  15           HG1      THR  15   5.515  -4.394   5.067
  109   1HG2  THR  15          1HG2      THR  15   5.109  -1.606   7.990
  110   2HG2  THR  15          2HG2      THR  15   3.950  -2.962   7.880
  111   3HG2  THR  15          3HG2      THR  15   5.651  -3.278   8.236
  112    H    LEU  16           H        LEU  16   5.885  -0.520   3.844
  113    HA   LEU  16           HA       LEU  16   5.724   1.912   5.444
  114   1HB   LEU  16          HB2       LEU  16   7.650   1.491   3.910
  115   2HB   LEU  16          HB3       LEU  16   6.570   1.334   2.563
  116    HG   LEU  16           HG       LEU  16   5.898   3.911   3.508
  117   1HD1  LEU  16          1HD1      LEU  16   7.653   3.927   5.111
  118   2HD1  LEU  16          2HD1      LEU  16   8.873   3.601   3.839
  119   3HD1  LEU  16          3HD1      LEU  16   7.953   5.124   3.845
  120   1HD2  LEU  16          1HD2      LEU  16   7.659   2.905   1.261
  121   2HD2  LEU  16          2HD2      LEU  16   6.001   3.470   1.213
  122   3HD2  LEU  16          3HD2      LEU  16   7.313   4.634   1.494
  123    H    LEU  17           H        LEU  17   4.441   1.016   2.282
  124    HA   LEU  17           HA       LEU  17   3.040   3.396   1.895
  125   1HB   LEU  17          HB2       LEU  17   4.025   1.496   0.324
  126   2HB   LEU  17          HB3       LEU  17   2.405   0.831   0.415
  127    HG   LEU  17           HG       LEU  17   1.565   2.968  -0.622
  128   1HD1  LEU  17          1HD1      LEU  17   3.194   4.525  -1.606
  129   2HD1  LEU  17          2HD1      LEU  17   3.249   4.556   0.149
  130   3HD1  LEU  17          3HD1      LEU  17   4.528   3.691  -0.744
  131   1HD2  LEU  17          1HD2      LEU  17   2.262   1.021  -1.997
  132   2HD2  LEU  17          2HD2      LEU  17   2.658   2.546  -2.830
  133   3HD2  LEU  17          3HD2      LEU  17   3.935   1.630  -1.993
  134    H    SER  18           H        SER  18   2.124   0.812   3.825
  135    HA   SER  18           HA       SER  18  -0.424   2.192   4.355
  136   1HB   SER  18          HB2       SER  18  -0.798   0.217   2.806
  137   2HB   SER  18          HB3       SER  18  -0.281  -0.825   4.147
  138    HG   SER  18           HG       SER  18  -2.055  -0.502   5.060
  139    H    ASN  19           H        ASN  19   2.225   2.086   5.674
  140    HA   ASN  19           HA       ASN  19   2.467   0.694   8.004
  141   1HB   ASN  19          HB2       ASN  19   3.743   2.592   8.831
  142   2HB   ASN  19          HB3       ASN  19   3.992   2.521   7.105
  143   1HD2  ASN  19          1HD2      ASN  19   2.773   4.146   5.777
  144   2HD2  ASN  19          2HD2      ASN  19   2.008   5.533   6.603
  145    H    THR  20           H        THR  20   0.484   3.567   7.707
  146    HA   THR  20           HA       THR  20  -1.697   2.510   9.271
  147    HB   THR  20           HB       THR  20  -1.849   4.659  10.650
  148    HG1  THR  20           HG1      THR  20   0.909   4.784   9.941
  149   1HG2  THR  20          1HG2      THR  20  -1.332   2.358  11.502
  150   2HG2  THR  20          2HG2      THR  20   0.389   2.813  11.498
  151   3HG2  THR  20          3HG2      THR  20  -0.778   3.697  12.525
  152    H    ASP  21           H        ASP  21  -0.839   5.932   8.542
  153    HA   ASP  21           HA       ASP  21  -2.415   5.900   6.040
  154   1HB   ASP  21          HB2       ASP  21  -3.134   7.573   8.466
  155   2HB   ASP  21          HB3       ASP  21  -3.808   7.817   6.855
  156    H    ALA  22           H        ALA  22  -2.567   8.496   5.313
  157    HA   ALA  22           HA       ALA  22  -0.780  10.173   6.306
  158   1HB   ALA  22          HB1       ALA  22   0.910   8.753   4.981
  159   2HB   ALA  22          HB2       ALA  22   0.129   9.381   3.507
  160   3HB   ALA  22          HB3       ALA  22   0.886  10.485   4.642
  161    H    THR  23           H        THR  23  -0.849  12.024   5.120
  162    HA   THR  23           HA       THR  23  -3.370  13.118   4.296
  163    HB   THR  23           HB       THR  23  -1.796  14.531   5.320
  164    HG1  THR  23           HG1      THR  23   0.112  14.397   3.318
  165   1HG2  THR  23          1HG2      THR  23  -3.016  15.742   3.493
  166   2HG2  THR  23          2HG2      THR  23  -1.624  15.448   2.427
  167   3HG2  THR  23          3HG2      THR  23  -1.436  16.428   3.908
  168    H    GLY  24           H        GLY  24  -0.676  11.952   2.320
  169   1HA   GLY  24          HA2       GLY  24  -2.094  12.522  -0.213
  170   2HA   GLY  24          HA3       GLY  24  -0.591  11.607  -0.043
  171    H    LEU  25           H        LEU  25  -1.145   9.701   1.655
  172    HA   LEU  25           HA       LEU  25  -2.357   7.590   0.388
  173   1HB   LEU  25          HB2       LEU  25  -1.768   8.331   3.204
  174   2HB   LEU  25          HB3       LEU  25  -2.729   6.942   3.102
  175    HG   LEU  25           HG       LEU  25   0.155   7.484   2.220
  176   1HD1  LEU  25          1HD1      LEU  25   0.500   5.245   3.406
  177   2HD1  LEU  25          2HD1      LEU  25  -0.127   6.538   4.421
  178   3HD1  LEU  25          3HD1      LEU  25  -1.216   5.262   3.816
  179   1HD2  LEU  25          1HD2      LEU  25  -0.658   6.434   0.213
  180   2HD2  LEU  25          2HD2      LEU  25   0.269   5.244   1.112
  181   3HD2  LEU  25          3HD2      LEU  25  -1.517   5.190   1.159
  182    H    GLU  26           H        GLU  26  -4.320   9.679   2.635
  183    HA   GLU  26           HA       GLU  26  -6.658   8.188   2.069
  184   1HB   GLU  26          HB2       GLU  26  -7.980   9.847   2.983
  185   2HB   GLU  26          HB3       GLU  26  -6.467   9.881   3.862
  186   1HG   GLU  26          HG2       GLU  26  -7.045  12.133   3.620
  187   2HG   GLU  26          HG3       GLU  26  -5.779  11.886   2.436
  188    H    GLU  27           H        GLU  27  -5.286  10.823   0.045
  189    HA   GLU  27           HA       GLU  27  -7.554  10.829  -1.771
  190   1HB   GLU  27          HB2       GLU  27  -6.066  12.808  -1.593
  191   2HB   GLU  27          HB3       GLU  27  -4.714  11.864  -2.234
  192   1HG   GLU  27          HG2       GLU  27  -5.578  11.786  -4.385
  193   2HG   GLU  27          HG3       GLU  27  -7.242  11.843  -3.846
  194    H    ILE  28           H        ILE  28  -4.308   9.377  -1.841
  195    HA   ILE  28           HA       ILE  28  -4.591   8.016  -4.337
  196    HB   ILE  28           HB       ILE  28  -2.976   7.216  -1.877
  197   1HG1  ILE  28          2HG1      ILE  28  -2.390   9.506  -2.618
  198   2HG1  ILE  28          3HG1      ILE  28  -1.093   8.352  -2.833
  199   1HG2  ILE  28          1HG2      ILE  28  -1.523   6.009  -3.484
  200   2HG2  ILE  28          2HG2      ILE  28  -3.170   5.351  -3.470
  201   3HG2  ILE  28          3HG2      ILE  28  -2.666   6.398  -4.793
  202   1HD1  ILE  28          1HD1      ILE  28  -1.486   8.315  -5.254
  203   2HD1  ILE  28          2HD1      ILE  28  -2.941   9.334  -5.066
  204   3HD1  ILE  28          3HD1      ILE  28  -1.346   9.998  -4.699
  205    H    ASP  29           H        ASP  29  -5.651   7.104  -1.085
  206    HA   ASP  29           HA       ASP  29  -6.523   4.450  -1.685
  207   1HB   ASP  29          HB2       ASP  29  -7.384   6.463   0.445
  208   2HB   ASP  29          HB3       ASP  29  -7.975   4.812   0.389
  209    H    ARG  30           H        ARG  30  -8.425   7.527  -1.460
  210    HA   ARG  30           HA       ARG  30 -10.782   6.257  -2.554
  211   1HB   ARG  30          HB2       ARG  30 -11.784   8.470  -2.730
  212   2HB   ARG  30          HB3       ARG  30 -11.029   8.181  -1.160
  213   1HG   ARG  30          HG2       ARG  30  -9.097   9.506  -1.841
  214   2HG   ARG  30          HG3       ARG  30  -9.905   9.954  -3.350
  215   1HD   ARG  30          HD2       ARG  30 -11.604  11.189  -2.171
  216   2HD   ARG  30          HD3       ARG  30 -11.226  10.384  -0.637
  217    HE   ARG  30           HE       ARG  30  -9.554  11.865  -0.187
  218   1HH1  ARG  30          1HH2      ARG  30 -10.245  12.393  -3.648
  219   2HH1  ARG  30          2HH2      ARG  30  -9.025  13.680  -3.602
  220   1HH2  ARG  30          1HH1      ARG  30  -8.138  13.561  -0.457
  221   2HH2  ARG  30          2HH1      ARG  30  -8.019  14.258  -2.051
  222    H    ALA  31           H        ALA  31  -8.100   7.879  -4.193
  223    HA   ALA  31           HA       ALA  31  -9.187   7.781  -6.835
  224   1HB   ALA  31          HB1       ALA  31  -7.178   9.077  -6.212
  225   2HB   ALA  31          HB2       ALA  31  -6.306   7.565  -5.903
  226   3HB   ALA  31          HB3       ALA  31  -6.854   7.961  -7.554
  227    H    LEU  32           H        LEU  32  -8.022   5.169  -4.788
  228    HA   LEU  32           HA       LEU  32  -8.397   3.223  -7.019
  229   1HB   LEU  32          HB2       LEU  32  -6.613   3.162  -4.560
  230   2HB   LEU  32          HB3       LEU  32  -7.004   1.719  -5.472
  231    HG   LEU  32           HG       LEU  32  -5.884   4.183  -6.872
  232   1HD1  LEU  32          1HD1      LEU  32  -3.618   3.116  -6.610
  233   2HD1  LEU  32          2HD1      LEU  32  -4.319   3.732  -5.117
  234   3HD1  LEU  32          3HD1      LEU  32  -4.338   1.979  -5.434
  235   1HD2  LEU  32          1HD2      LEU  32  -5.693   1.220  -7.514
  236   2HD2  LEU  32          2HD2      LEU  32  -6.841   2.349  -8.261
  237   3HD2  LEU  32          3HD2      LEU  32  -5.118   2.589  -8.509
  238    H    GLY  33           H        GLY  33 -10.393   4.611  -5.143
  239   1HA   GLY  33          HA2       GLY  33 -12.452   4.071  -4.284
  240   2HA   GLY  33          HA3       GLY  33 -12.285   2.527  -5.122
  241    H    ILE  34           H        ILE  34  -9.851   3.080  -2.742
  242    HA   ILE  34           HA       ILE  34 -10.404   0.640  -1.512
  243    HB   ILE  34           HB       ILE  34  -8.627   2.846  -0.445
  244   1HG1  ILE  34          2HG1      ILE  34  -8.144   0.491  -2.341
  245   2HG1  ILE  34          3HG1      ILE  34  -8.056   2.191  -2.771
  246   1HG2  ILE  34          1HG2      ILE  34  -7.536   1.160   0.845
  247   2HG2  ILE  34          2HG2      ILE  34  -9.256   1.020   1.219
  248   3HG2  ILE  34          3HG2      ILE  34  -8.510  -0.123   0.085
  249   1HD1  ILE  34          1HD1      ILE  34  -6.119   2.418  -1.141
  250   2HD1  ILE  34          2HD1      ILE  34  -6.173   0.655  -0.992
  251   3HD1  ILE  34          3HD1      ILE  34  -5.822   1.383  -2.566
  252    HA   PRO  35           HA       PRO  35 -12.588   2.831   2.230
  253   1HB   PRO  35          HB2       PRO  35 -13.724   5.161   0.693
  254   2HB   PRO  35          HB3       PRO  35 -13.361   5.043   2.447
  255   1HG   PRO  35          HG2       PRO  35 -11.599   6.315   0.869
  256   2HG   PRO  35          HG3       PRO  35 -10.996   5.088   2.029
  257   1HD   PRO  35          HD2       PRO  35 -11.581   4.722  -0.929
  258   2HD   PRO  35          HD3       PRO  35 -10.094   4.315  -0.024
  259    H    GLU  36           H        GLU  36 -13.695   2.449  -1.095
  260    HA   GLU  36           HA       GLU  36 -16.385   1.584  -0.194
  261   1HB   GLU  36          HB2       GLU  36 -15.434   2.733  -2.613
  262   2HB   GLU  36          HB3       GLU  36 -15.769   1.042  -3.001
  263   1HG   GLU  36          HG2       GLU  36 -17.687   3.036  -1.742
  264   2HG   GLU  36          HG3       GLU  36 -17.736   2.440  -3.405
  265    H    LEU  37           H        LEU  37 -13.368   0.272  -1.603
  266    HA   LEU  37           HA       LEU  37 -14.060  -2.490  -1.570
  267   1HB   LEU  37          HB2       LEU  37 -11.348  -1.240  -1.047
  268   2HB   LEU  37          HB3       LEU  37 -11.651  -2.928  -1.416
  269    HG   LEU  37           HG       LEU  37 -12.266  -0.614  -3.313
  270   1HD1  LEU  37          1HD1      LEU  37 -10.072  -2.745  -3.347
  271   2HD1  LEU  37          2HD1      LEU  37 -10.356  -1.511  -4.603
  272   3HD1  LEU  37          3HD1      LEU  37  -9.843  -1.036  -2.987
  273   1HD2  LEU  37          1HD2      LEU  37 -12.470  -3.638  -3.727
  274   2HD2  LEU  37          2HD2      LEU  37 -13.792  -2.446  -3.770
  275   3HD2  LEU  37          3HD2      LEU  37 -12.560  -2.420  -5.021
  276    H    VAL  38           H        VAL  38 -13.172  -0.417   1.108
  277    HA   VAL  38           HA       VAL  38 -12.994  -2.307   3.228
  278    HB   VAL  38           HB       VAL  38 -13.948   0.580   3.080
  279   1HG1  VAL  38          1HG1      VAL  38 -13.596  -0.976   5.675
  280   2HG1  VAL  38          2HG1      VAL  38 -13.855   0.771   5.502
  281   3HG1  VAL  38          3HG1      VAL  38 -15.133  -0.357   5.046
  282   1HG2  VAL  38          1HG2      VAL  38 -11.531   0.103   2.759
  283   2HG2  VAL  38          2HG2      VAL  38 -11.851   1.049   4.206
  284   3HG2  VAL  38          3HG2      VAL  38 -11.496  -0.712   4.325
  285    H    ASN  39           H        ASN  39 -15.938  -0.575   2.054
  286    HA   ASN  39           HA       ASN  39 -17.788  -2.032   3.706
  287   1HB   ASN  39          HB2       ASN  39 -18.332  -0.760   1.000
  288   2HB   ASN  39          HB3       ASN  39 -19.513  -1.107   2.267
  289   1HD2  ASN  39          2HD2      ASN  39 -18.575   1.428   0.855
  290   2HD2  ASN  39          1HD2      ASN  39 -18.122   2.510   2.199
  291    H    GLN  40           H        GLN  40 -16.670  -2.546   0.365
  292    HA   GLN  40           HA       GLN  40 -18.182  -4.924  -0.162
  293   1HB   GLN  40          HB2       GLN  40 -15.580  -3.932  -1.356
  294   2HB   GLN  40          HB3       GLN  40 -16.514  -5.298  -1.983
  295   1HG   GLN  40          HG2       GLN  40 -18.409  -3.892  -2.493
  296   2HG   GLN  40          HG3       GLN  40 -17.676  -2.496  -1.693
  297   1HE2  GLN  40          2HE2      GLN  40 -17.544  -1.099  -3.502
  298   2HE2  GLN  40          1HE2      GLN  40 -16.551  -1.522  -4.906
  299    H    GLY  41           H        GLY  41 -15.408  -4.522   1.905
  300   1HA   GLY  41          HA2       GLY  41 -14.665  -6.092   3.410
  301   2HA   GLY  41          HA3       GLY  41 -15.500  -7.371   2.523
  302    H    GLN  42           H        GLN  42 -13.317  -5.365   0.671
  303    HA   GLN  42           HA       GLN  42 -11.964  -7.613  -0.315
  304   1HB   GLN  42          HB2       GLN  42 -12.276  -5.114  -1.182
  305   2HB   GLN  42          HB3       GLN  42 -10.646  -4.920  -0.568
  306   1HG   GLN  42          HG2       GLN  42 -11.564  -7.046  -2.565
  307   2HG   GLN  42          HG3       GLN  42 -10.878  -5.477  -3.008
  308   1HE2  GLN  42          2HE2      GLN  42 -10.125  -8.718  -2.170
  309   2HE2  GLN  42          1HE2      GLN  42  -8.402  -8.575  -2.350
  310    H    ALA  43           H        ALA  43 -11.408  -6.420   2.729
  311    HA   ALA  43           HA       ALA  43  -8.506  -6.962   2.880
  312   1HB   ALA  43          HB1       ALA  43  -9.597  -5.328   4.400
  313   2HB   ALA  43          HB2       ALA  43 -10.647  -6.605   5.023
  314   3HB   ALA  43          HB3       ALA  43  -8.893  -6.687   5.311
  315    H    LEU  44           H        LEU  44 -11.440  -8.931   2.909
  316    HA   LEU  44           HA       LEU  44 -10.378 -10.878   4.792
  317   1HB   LEU  44          HB2       LEU  44 -12.901 -10.870   3.087
  318   2HB   LEU  44          HB3       LEU  44 -12.568 -12.001   4.375
  319    HG   LEU  44           HG       LEU  44 -12.882  -8.982   4.753
  320   1HD1  LEU  44          1HD1      LEU  44 -15.029  -9.553   5.775
  321   2HD1  LEU  44          2HD1      LEU  44 -14.970 -10.089   4.091
  322   3HD1  LEU  44          3HD1      LEU  44 -14.773 -11.277   5.401
  323   1HD2  LEU  44          1HD2      LEU  44 -13.060  -9.534   7.165
  324   2HD2  LEU  44          2HD2      LEU  44 -12.637 -11.216   6.816
  325   3HD2  LEU  44          3HD2      LEU  44 -11.454  -9.920   6.519
  326    H    GLU  45           H        GLU  45 -10.623 -10.965   1.209
  327    HA   GLU  45           HA       GLU  45 -10.563 -13.833   1.107
  328   1HB   GLU  45          HB2       GLU  45  -9.628 -12.088  -1.173
  329   2HB   GLU  45          HB3       GLU  45 -10.523 -13.599  -1.232
  330   1HG   GLU  45          HG2       GLU  45 -12.216 -12.226  -1.825
  331   2HG   GLU  45          HG3       GLU  45 -12.431 -12.040  -0.078
  332    HA   PRO  46           HA       PRO  46  -6.128 -14.706   0.657
  333   1HB   PRO  46          HB2       PRO  46  -6.817 -16.242  -1.846
  334   2HB   PRO  46          HB3       PRO  46  -5.841 -16.735  -0.442
  335   1HG   PRO  46          HG2       PRO  46  -8.388 -17.631  -0.700
  336   2HG   PRO  46          HG3       PRO  46  -7.786 -17.074   0.904
  337   1HD   PRO  46          HD2       PRO  46  -9.406 -15.542  -1.147
  338   2HD   PRO  46          HD3       PRO  46  -9.712 -15.732   0.613
  339    H    LYS  47           H        LYS  47  -7.678 -12.693  -1.556
  340    HA   LYS  47           HA       LYS  47  -5.266 -11.669  -2.642
  341   1HB   LYS  47          HB2       LYS  47  -5.329 -12.110  -4.849
  342   2HB   LYS  47          HB3       LYS  47  -5.973 -13.607  -4.263
  343   1HG   LYS  47          HG2       LYS  47  -7.460 -11.355  -5.693
  344   2HG   LYS  47          HG3       LYS  47  -7.040 -12.915  -6.286
  345   1HD   LYS  47          HD2       LYS  47  -9.347 -12.971  -5.936
  346   2HD   LYS  47          HD3       LYS  47  -8.638 -13.987  -4.699
  347   1HE   LYS  47          HE2       LYS  47 -10.518 -12.640  -3.856
  348   2HE   LYS  47          HE3       LYS  47  -9.005 -12.283  -3.015
  349   1HZ   LYS  47          HZ1       LYS  47 -10.295 -10.330  -3.529
  350   2HZ   LYS  47          HZ2       LYS  47  -8.814 -10.275  -4.173
  351   3HZ   LYS  47          HZ3       LYS  47 -10.105 -10.574  -5.157
  352    HT1  PRO  48           H2       PRO  48  15.152  -7.081 -11.709
  353    HT2  PRO  48           H3       PRO  48  15.381  -6.379 -13.171
  354    HA   PRO  48           HA       PRO  48  13.685  -5.422 -10.997
  355   1HB   PRO  48          HB2       PRO  48  14.318  -3.409 -13.108
  356   2HB   PRO  48          HB3       PRO  48  14.163  -3.236 -11.344
  357   1HG   PRO  48          HG2       PRO  48  16.542  -3.780 -13.037
  358   2HG   PRO  48          HG3       PRO  48  16.502  -3.255 -11.315
  359   1HD   PRO  48          HD2       PRO  48  17.312  -5.761 -11.957
  360   2HD   PRO  48          HD3       PRO  48  16.272  -5.451 -10.534
  361    H    ASN  49           H        ASN  49  13.271  -7.608 -12.586
  362    HA   ASN  49           HA       ASN  49  11.238  -6.848 -14.605
  363   1HB   ASN  49          HB2       ASN  49  13.445  -8.944 -14.940
  364   2HB   ASN  49          HB3       ASN  49  12.338  -8.376 -16.194
  365   1HD2  ASN  49          2HD2      ASN  49  12.910  -6.453 -17.355
  366   2HD2  ASN  49          1HD2      ASN  49  14.443  -5.633 -17.016
  367    H    ARG  50           H        ARG  50  12.705  -9.652 -12.878
  368    HA   ARG  50           HA       ARG  50   9.967 -10.798 -12.566
  369   1HB   ARG  50          HB2       ARG  50  11.742 -12.398 -13.161
  370   2HB   ARG  50          HB3       ARG  50  12.590 -12.037 -11.657
  371   1HG   ARG  50          HG2       ARG  50   9.667 -12.866 -11.571
  372   2HG   ARG  50          HG3       ARG  50  10.899 -14.095 -11.836
  373   1HD   ARG  50          HD2       ARG  50  11.893 -13.782  -9.742
  374   2HD   ARG  50          HD3       ARG  50  11.186 -12.201  -9.496
  375    HE   ARG  50           HE       ARG  50   9.976 -14.780  -8.869
  376   1HH1  ARG  50          1HH2      ARG  50   9.059 -11.315  -9.190
  377   2HH1  ARG  50          2HH2      ARG  50   8.189 -11.551  -7.669
  378   1HH2  ARG  50          1HH1      ARG  50   8.754 -14.731  -7.124
  379   2HH2  ARG  50          2HH1      ARG  50   8.026 -13.176  -6.628
  380    H    SER  51           H        SER  51  12.659  -9.298 -10.782
  381    HA   SER  51           HA       SER  51  10.935  -8.967  -8.384
  382   1HB   SER  51          HB2       SER  51  13.735  -7.827  -8.823
  383   2HB   SER  51          HB3       SER  51  12.789  -7.792  -7.336
  384    HG   SER  51           HG       SER  51  14.193  -9.452  -7.185
  385    H    ILE  52           H        ILE  52   9.292  -7.695  -9.093
  386    HA   ILE  52           HA       ILE  52   9.683  -5.611 -11.086
  387    HB   ILE  52           HB       ILE  52   6.974  -5.782  -9.938
  388   1HG1  ILE  52          2HG1      ILE  52   6.347  -7.894 -11.035
  389   2HG1  ILE  52          3HG1      ILE  52   8.030  -8.356 -11.169
  390   1HG2  ILE  52          1HG2      ILE  52   6.387  -5.943 -12.309
  391   2HG2  ILE  52          2HG2      ILE  52   7.564  -4.664 -12.055
  392   3HG2  ILE  52          3HG2      ILE  52   8.090  -6.220 -12.728
  393   1HD1  ILE  52          1HD1      ILE  52   8.138  -8.827  -8.819
  394   2HD1  ILE  52          2HD1      ILE  52   6.965  -7.571  -8.445
  395   3HD1  ILE  52          3HD1      ILE  52   6.426  -9.126  -9.131
  396    H    SER  53           H        SER  53   9.967  -5.465  -7.788
  397    HA   SER  53           HA       SER  53   9.368  -2.549  -7.771
  398   1HB   SER  53          HB2       SER  53   8.873  -2.870  -5.311
  399   2HB   SER  53          HB3       SER  53   7.694  -3.429  -6.499
  400    HG   SER  53           HG       SER  53   9.355  -4.966  -4.831
  401    HA   PRO  54           HA       PRO  54  13.575  -3.064  -5.472
  402   1HB   PRO  54          HB2       PRO  54  15.619  -3.623  -7.147
  403   2HB   PRO  54          HB3       PRO  54  14.674  -4.893  -6.329
  404   1HG   PRO  54          HG2       PRO  54  14.237  -3.758  -9.110
  405   2HG   PRO  54          HG3       PRO  54  14.405  -5.501  -8.671
  406   1HD   PRO  54          HD2       PRO  54  12.000  -4.309  -8.992
  407   2HD   PRO  54          HD3       PRO  54  12.248  -5.509  -7.676
  408    H    SER  55           H        SER  55  12.558  -1.598  -8.444
  409    HA   SER  55           HA       SER  55  14.319   0.739  -8.289
  410   1HB   SER  55          HB2       SER  55  12.646   1.533 -10.090
  411   2HB   SER  55          HB3       SER  55  13.540   0.057 -10.498
  412    HG   SER  55           HG       SER  55  11.256  -0.130 -10.876
  413    H    ALA  56           H        ALA  56  10.834   0.036  -7.879
  414    HA   ALA  56           HA       ALA  56  10.139   2.418  -6.588
  415   1HB   ALA  56          HB1       ALA  56   8.974  -0.401  -6.350
  416   2HB   ALA  56          HB2       ALA  56   8.111   1.082  -5.899
  417   3HB   ALA  56          HB3       ALA  56   8.580   0.817  -7.586
  418    H    LEU  57           H        LEU  57  11.617  -0.493  -5.229
  419    HA   LEU  57           HA       LEU  57  11.567  -0.022  -2.471
  420   1HB   LEU  57          HB2       LEU  57  12.501  -2.027  -3.482
  421   2HB   LEU  57          HB3       LEU  57  13.624  -1.059  -4.429
  422    HG   LEU  57           HG       LEU  57  14.972  -0.573  -2.440
  423   1HD1  LEU  57          1HD1      LEU  57  12.942  -2.369  -1.058
  424   2HD1  LEU  57          2HD1      LEU  57  14.553  -2.011  -0.387
  425   3HD1  LEU  57          3HD1      LEU  57  13.371  -0.713  -0.647
  426   1HD2  LEU  57          1HD2      LEU  57  15.469  -2.467  -3.952
  427   2HD2  LEU  57          2HD2      LEU  57  15.923  -2.852  -2.284
  428   3HD2  LEU  57          3HD2      LEU  57  14.461  -3.551  -2.976
  429    H    GLN  58           H        GLN  58  13.371   1.707  -4.967
  430    HA   GLN  58           HA       GLN  58  14.706   3.425  -2.948
  431   1HB   GLN  58          HB2       GLN  58  14.852   3.416  -5.985
  432   2HB   GLN  58          HB3       GLN  58  15.782   4.452  -4.912
  433   1HG   GLN  58          HG2       GLN  58  17.153   2.684  -4.160
  434   2HG   GLN  58          HG3       GLN  58  15.974   1.430  -4.569
  435   1HE2  GLN  58          2HE2      GLN  58  16.120   0.335  -6.590
  436   2HE2  GLN  58          1HE2      GLN  58  17.257   0.940  -7.791
  437    H    ASP  59           H        ASP  59  12.602   3.803  -5.850
  438    HA   ASP  59           HA       ASP  59  12.045   6.478  -5.049
  439   1HB   ASP  59          HB2       ASP  59  12.211   5.304  -7.477
  440   2HB   ASP  59          HB3       ASP  59  10.478   5.278  -7.297
  441    H    LEU  60           H        LEU  60   9.921   3.633  -4.809
  442    HA   LEU  60           HA       LEU  60   7.556   5.293  -4.315
  443   1HB   LEU  60          HB2       LEU  60   7.417   3.148  -5.467
  444   2HB   LEU  60          HB3       LEU  60   7.904   2.315  -3.985
  445    HG   LEU  60           HG       LEU  60   5.864   2.689  -2.924
  446   1HD1  LEU  60          1HD1      LEU  60   5.234   4.842  -4.983
  447   2HD1  LEU  60          2HD1      LEU  60   4.064   4.173  -3.830
  448   3HD1  LEU  60          3HD1      LEU  60   5.456   5.059  -3.224
  449   1HD2  LEU  60          1HD2      LEU  60   5.765   1.120  -4.855
  450   2HD2  LEU  60          2HD2      LEU  60   4.198   1.908  -4.586
  451   3HD2  LEU  60          3HD2      LEU  60   5.240   2.447  -5.902
  452    H    LEU  61           H        LEU  61  10.094   3.493  -2.639
  453    HA   LEU  61           HA       LEU  61   9.171   3.870   0.039
  454   1HB   LEU  61          HB2       LEU  61  10.984   2.271  -0.838
  455   2HB   LEU  61          HB3       LEU  61  12.041   3.675  -0.939
  456    HG   LEU  61           HG       LEU  61  11.605   4.007   1.576
  457   1HD1  LEU  61          1HD1      LEU  61  11.022   1.865   2.800
  458   2HD1  LEU  61          2HD1      LEU  61   9.670   2.607   1.942
  459   3HD1  LEU  61          3HD1      LEU  61  10.490   1.188   1.261
  460   1HD2  LEU  61          1HD2      LEU  61  12.978   1.414   0.762
  461   2HD2  LEU  61          2HD2      LEU  61  13.720   3.027   0.662
  462   3HD2  LEU  61          3HD2      LEU  61  13.279   2.345   2.237
  463    H    ARG  62           H        ARG  62  11.671   5.870  -1.779
  464    HA   ARG  62           HA       ARG  62  11.568   7.945   0.192
  465   1HB   ARG  62          HB2       ARG  62  12.794   9.331  -1.183
  466   2HB   ARG  62          HB3       ARG  62  13.364   7.705  -1.500
  467   1HG   ARG  62          HG2       ARG  62  13.279   8.509  -3.644
  468   2HG   ARG  62          HG3       ARG  62  11.674   7.786  -3.494
  469   1HD   ARG  62          HD2       ARG  62  10.932  10.217  -2.863
  470   2HD   ARG  62          HD3       ARG  62  12.471  10.707  -3.552
  471    HE   ARG  62           HE       ARG  62  11.626   9.236  -5.602
  472   1HH1  ARG  62          1HH2      ARG  62   9.561  11.399  -3.762
  473   2HH1  ARG  62          2HH2      ARG  62   8.227  11.122  -4.861
  474   1HH2  ARG  62          2HH1      ARG  62   9.926   9.136  -7.074
  475   2HH2  ARG  62          1HH1      ARG  62   8.493  10.031  -6.689
  476    H    THR  63           H        THR  63   9.423   7.370  -2.531
  477    HA   THR  63           HA       THR  63   7.972   9.796  -2.534
  478    HB   THR  63           HB       THR  63   7.371   6.916  -3.183
  479    HG1  THR  63           HG1      THR  63   8.589   7.765  -4.639
  480   1HG2  THR  63          1HG2      THR  63   5.080   7.913  -2.781
  481   2HG2  THR  63          2HG2      THR  63   5.399   8.879  -4.280
  482   3HG2  THR  63          3HG2      THR  63   5.471   7.132  -4.317
  483    H    LEU  64           H        LEU  64   7.666   7.188  -0.197
  484    HA   LEU  64           HA       LEU  64   5.630   8.907   1.140
  485   1HB   LEU  64          HB2       LEU  64   5.272   6.232   0.477
  486   2HB   LEU  64          HB3       LEU  64   5.780   6.160   2.145
  487    HG   LEU  64           HG       LEU  64   4.024   8.151   2.471
  488   1HD1  LEU  64          1HD1      LEU  64   3.558   8.367  -0.003
  489   2HD1  LEU  64          2HD1      LEU  64   2.820   6.752   0.028
  490   3HD1  LEU  64          3HD1      LEU  64   2.097   8.041   0.971
  491   1HD2  LEU  64          1HD2      LEU  64   2.739   5.456   2.035
  492   2HD2  LEU  64          2HD2      LEU  64   3.836   5.789   3.420
  493   3HD2  LEU  64          3HD2      LEU  64   2.363   6.735   3.187
  494    H    LYS  65           H        LYS  65   8.759   7.407   1.576
  495    HA   LYS  65           HA       LYS  65   9.020   8.099   4.353
  496   1HB   LYS  65          HB2       LYS  65  11.067   7.633   2.162
  497   2HB   LYS  65          HB3       LYS  65  11.539   8.228   3.745
  498   1HG   LYS  65          HG2       LYS  65  10.275   6.243   4.753
  499   2HG   LYS  65          HG3       LYS  65  10.208   5.572   3.104
  500   1HD   LYS  65          HD2       LYS  65  12.716   5.723   3.001
  501   2HD   LYS  65          HD3       LYS  65  12.747   6.311   4.664
  502   1HE   LYS  65          HE2       LYS  65  11.595   3.653   3.728
  503   2HE   LYS  65          HE3       LYS  65  13.196   3.854   4.410
  504   1HZ   LYS  65          HZ1       LYS  65  10.653   4.429   5.819
  505   2HZ   LYS  65          HZ2       LYS  65  11.617   3.134   6.086
  506   3HZ   LYS  65          HZ3       LYS  65  12.151   4.645   6.456
  507    H    SER  66           H        SER  66   9.447   9.995   1.348
  508    HA   SER  66           HA       SER  66  10.100  12.440   2.857
  509   1HB   SER  66          HB2       SER  66   9.907  13.617   0.690
  510   2HB   SER  66          HB3       SER  66  11.118  12.345   0.705
  511    HG   SER  66           HG       SER  66   9.589  11.050  -0.399
  512    HA   PRO  67           HA       PRO  67   5.879  11.896   4.048
  513   1HB   PRO  67          HB2       PRO  67   5.997  14.755   5.023
  514   2HB   PRO  67          HB3       PRO  67   5.412  13.287   5.894
  515   1HG   PRO  67          HG2       PRO  67   7.850  14.342   6.442
  516   2HG   PRO  67          HG3       PRO  67   7.647  12.554   6.290
  517   1HD   PRO  67          HD2       PRO  67   8.624  14.526   4.228
  518   2HD   PRO  67          HD3       PRO  67   9.360  12.968   4.711
  519    H    SER  68           H        SER  68   3.937  12.121   3.467
  520    HA   SER  68           HA       SER  68   3.284  13.072   0.932
  521   1HB   SER  68          HB2       SER  68   1.315  12.209   3.066
  522   2HB   SER  68          HB3       SER  68   1.181  12.062   1.302
  523    HG   SER  68           HG       SER  68   3.067  10.663   1.464
  524    H    SER  69           H        SER  69   4.061  15.390   2.284
  525    HA   SER  69           HA       SER  69   1.646  17.094   2.424
  526   1HB   SER  69          HB2       SER  69   3.083  17.519   4.207
  527   2HB   SER  69          HB3       SER  69   4.536  17.590   3.189
  528    HG   SER  69           HG       SER  69   3.614  19.692   3.744
  529    HA   PRO  70           HA       PRO  70   3.302  18.571  -1.685
  530   1HB   PRO  70          HB2       PRO  70   5.880  18.383  -2.513
  531   2HB   PRO  70          HB3       PRO  70   5.299  19.708  -1.466
  532   1HG   PRO  70          HG2       PRO  70   6.789  17.206  -0.664
  533   2HG   PRO  70          HG3       PRO  70   7.070  18.885  -0.113
  534   1HD   PRO  70          HD2       PRO  70   5.571  17.064   1.342
  535   2HD   PRO  70          HD3       PRO  70   5.270  18.827   1.372
  536    H    GLN  71           H        GLN  71   4.973  15.643  -0.534
  537    HA   GLN  71           HA       GLN  71   4.631  14.019  -2.878
  538   1HB   GLN  71          HB2       GLN  71   5.155  13.370   0.065
  539   2HB   GLN  71          HB3       GLN  71   4.866  12.118  -1.102
  540   1HG   GLN  71          HG2       GLN  71   7.160  12.286  -1.006
  541   2HG   GLN  71          HG3       GLN  71   6.728  13.018  -2.526
  542   1HE2  GLN  71          1HE2      GLN  71   6.831  14.444   0.893
  543   2HE2  GLN  71          2HE2      GLN  71   8.008  15.656   0.352
  544    H    GLN  72           H        GLN  72   2.118  15.380  -1.205
  545    HA   GLN  72           HA       GLN  72   0.410  13.275  -0.560
  546   1HB   GLN  72          HB2       GLN  72  -1.368  14.862  -0.554
  547   2HB   GLN  72          HB3       GLN  72   0.052  15.682   0.025
  548   1HG   GLN  72          HG2       GLN  72   0.364  16.639  -2.326
  549   2HG   GLN  72          HG3       GLN  72  -1.204  15.868  -2.731
  550   1HE2  GLN  72          1HE2      GLN  72   0.131  18.033  -0.207
  551   2HE2  GLN  72          2HE2      GLN  72  -1.330  19.067  -0.218
  552    H    GLN  73           H        GLN  73   1.028  14.708  -3.696
  553    HA   GLN  73           HA       GLN  73  -1.389  13.686  -4.901
  554   1HB   GLN  73          HB2       GLN  73   0.990  15.330  -5.833
  555   2HB   GLN  73          HB3       GLN  73  -0.118  14.699  -7.029
  556   1HG   GLN  73          HG2       GLN  73  -0.801  16.617  -4.785
  557   2HG   GLN  73          HG3       GLN  73  -0.871  16.897  -6.528
  558   1HE2  GLN  73          1HE2      GLN  73  -3.020  16.579  -4.037
  559   2HE2  GLN  73          2HE2      GLN  73  -4.112  15.430  -4.774
  560    H    GLN  74           H        GLN  74  -1.067  12.956  -7.220
  561    HA   GLN  74           HA       GLN  74  -0.926  10.218  -7.251
  562   1HB   GLN  74          HB2       GLN  74  -0.461  11.865  -9.723
  563   2HB   GLN  74          HB3       GLN  74  -1.297  10.332  -9.557
  564   1HG   GLN  74          HG2       GLN  74  -2.267  13.104  -8.776
  565   2HG   GLN  74          HG3       GLN  74  -3.006  11.955  -9.887
  566   1HE2  GLN  74          2HE2      GLN  74  -3.571  13.346  -6.911
  567   2HE2  GLN  74          1HE2      GLN  74  -4.393  11.999  -6.174
  568    H    GLN  75           H        GLN  75   1.920  11.935  -6.925
  569    HA   GLN  75           HA       GLN  75   3.660  10.402  -8.665
  570   1HB   GLN  75          HB2       GLN  75   5.507  11.150  -7.245
  571   2HB   GLN  75          HB3       GLN  75   4.479  12.458  -7.730
  572   1HG   GLN  75          HG2       GLN  75   4.515  13.102  -5.615
  573   2HG   GLN  75          HG3       GLN  75   3.327  11.844  -5.284
  574   1HE2  GLN  75          2HE2      GLN  75   3.839  11.314  -3.165
  575   2HE2  GLN  75          1HE2      GLN  75   5.400  10.650  -2.745
  576    H    VAL  76           H        VAL  76   2.040   9.703  -5.627
  577    HA   VAL  76           HA       VAL  76   3.604   7.280  -5.110
  578    HB   VAL  76           HB       VAL  76   0.693   7.523  -4.300
  579   1HG1  VAL  76          1HG1      VAL  76   3.139   6.413  -2.876
  580   2HG1  VAL  76          2HG1      VAL  76   1.450   6.204  -2.392
  581   3HG1  VAL  76          3HG1      VAL  76   2.037   5.438  -3.883
  582   1HG2  VAL  76          1HG2      VAL  76   2.950   8.882  -2.822
  583   2HG2  VAL  76          2HG2      VAL  76   1.507   9.655  -3.578
  584   3HG2  VAL  76          3HG2      VAL  76   1.311   8.556  -2.192
  585    H    LEU  77           H        LEU  77   0.433   7.992  -6.606
  586    HA   LEU  77           HA       LEU  77  -0.141   5.384  -7.244
  587   1HB   LEU  77          HB2       LEU  77  -1.416   7.863  -7.442
  588   2HB   LEU  77          HB3       LEU  77  -1.355   7.330  -9.110
  589    HG   LEU  77           HG       LEU  77  -2.346   5.581  -6.796
  590   1HD1  LEU  77          1HD1      LEU  77  -3.785   7.568  -7.008
  591   2HD1  LEU  77          2HD1      LEU  77  -4.017   7.210  -8.739
  592   3HD1  LEU  77          3HD1      LEU  77  -4.610   6.077  -7.494
  593   1HD2  LEU  77          1HD2      LEU  77  -2.576   5.303  -9.812
  594   2HD2  LEU  77          2HD2      LEU  77  -1.662   4.267  -8.685
  595   3HD2  LEU  77          3HD2      LEU  77  -3.430   4.296  -8.624
  596    H    ASN  78           H        ASN  78   1.555   7.829  -9.102
  597    HA   ASN  78           HA       ASN  78   1.873   6.501 -11.549
  598   1HB   ASN  78          HB2       ASN  78   2.220   8.935 -11.200
  599   2HB   ASN  78          HB3       ASN  78   3.639   8.604 -10.202
  600   1HD2  ASN  78          2HD2      ASN  78   5.494   9.058 -11.447
  601   2HD2  ASN  78          1HD2      ASN  78   5.611   8.586 -13.153
  602    H    ILE  79           H        ILE  79   3.820   6.138  -8.520
  603    HA   ILE  79           HA       ILE  79   5.668   4.357 -10.017
  604    HB   ILE  79           HB       ILE  79   5.735   5.098  -7.100
  605   1HG1  ILE  79          2HG1      ILE  79   7.697   6.150  -9.169
  606   2HG1  ILE  79          3HG1      ILE  79   6.166   6.979  -9.044
  607   1HG2  ILE  79          1HG2      ILE  79   7.733   3.767  -9.010
  608   2HG2  ILE  79          2HG2      ILE  79   8.103   4.260  -7.356
  609   3HG2  ILE  79          3HG2      ILE  79   6.906   2.978  -7.666
  610   1HD1  ILE  79          1HD1      ILE  79   6.491   7.286  -6.613
  611   2HD1  ILE  79          2HD1      ILE  79   8.122   6.592  -6.762
  612   3HD1  ILE  79          3HD1      ILE  79   7.692   8.100  -7.631
  613    H    LEU  80           H        LEU  80   3.155   4.208  -7.482
  614    HA   LEU  80           HA       LEU  80   2.961   1.586  -6.761
  615   1HB   LEU  80          HB2       LEU  80   1.017   3.772  -7.399
  616   2HB   LEU  80          HB3       LEU  80   0.307   2.195  -7.215
  617    HG   LEU  80           HG       LEU  80   2.021   3.427  -5.019
  618   1HD1  LEU  80          1HD1      LEU  80   0.181   4.960  -5.215
  619   2HD1  LEU  80          2HD1      LEU  80  -0.996   3.624  -5.453
  620   3HD1  LEU  80          3HD1      LEU  80  -0.200   3.892  -3.894
  621   1HD2  LEU  80          1HD2      LEU  80  -0.149   1.283  -5.116
  622   2HD2  LEU  80          2HD2      LEU  80   1.606   0.977  -4.908
  623   3HD2  LEU  80          3HD2      LEU  80   0.693   1.853  -3.660
  624    H    LYS  81           H        LYS  81   1.346   2.879  -9.746
  625    HA   LYS  81           HA       LYS  81   0.446   0.259 -10.425
  626   1HB   LYS  81          HB2       LYS  81  -0.724   1.121 -12.089
  627   2HB   LYS  81          HB3       LYS  81  -0.478   2.583 -11.162
  628   1HG   LYS  81          HG2       LYS  81   1.027   1.714 -13.684
  629   2HG   LYS  81          HG3       LYS  81  -0.262   2.903 -13.592
  630   1HD   LYS  81          HD2       LYS  81   1.159   4.372 -12.197
  631   2HD   LYS  81          HD3       LYS  81   2.461   3.183 -12.267
  632   1HE   LYS  81          HE2       LYS  81   2.393   3.277 -14.775
  633   2HE   LYS  81          HE3       LYS  81   1.233   4.608 -14.680
  634   1HZ   LYS  81          HZ1       LYS  81   3.774   4.845 -13.250
  635   2HZ   LYS  81          HZ2       LYS  81   3.768   5.124 -14.885
  636   3HZ   LYS  81          HZ3       LYS  81   2.903   6.029 -13.860
  637    H    SER  82           H        SER  82   3.592   1.323 -10.714
  638    HA   SER  82           HA       SER  82   4.316  -0.322 -13.052
  639   1HB   SER  82          HB2       SER  82   6.551   0.384 -12.733
  640   2HB   SER  82          HB3       SER  82   5.523   1.820 -12.494
  641    HG   SER  82           HG       SER  82   5.785   1.460 -10.222
  642    H    ASN  83           H        ASN  83   3.666  -0.969  -9.757
  643    HA   ASN  83           HA       ASN  83   5.386  -3.428  -9.771
  644   1HB   ASN  83          HB2       ASN  83   4.515  -1.798  -7.389
  645   2HB   ASN  83          HB3       ASN  83   5.789  -3.043  -7.454
  646   1HD2  ASN  83          1HD2      ASN  83   7.551  -2.135  -9.458
  647   2HD2  ASN  83          2HD2      ASN  83   7.710  -0.388  -9.338
  648    HA   PRO  84           HA       PRO  84   0.996  -4.543 -10.162
  649   1HB   PRO  84          HB2       PRO  84   2.219  -7.268 -10.545
  650   2HB   PRO  84          HB3       PRO  84   0.914  -6.447 -11.463
  651   1HG   PRO  84          HG2       PRO  84   3.436  -6.588 -12.450
  652   2HG   PRO  84          HG3       PRO  84   2.448  -5.100 -12.645
  653   1HD   PRO  84          HD2       PRO  84   4.669  -5.618 -10.682
  654   2HD   PRO  84          HD3       PRO  84   4.238  -4.143 -11.615
  655    H    GLN  85           H        GLN  85   3.206  -6.707  -8.390
  656    HA   GLN  85           HA       GLN  85   1.197  -7.751  -6.602
  657   1HB   GLN  85          HB2       GLN  85   3.359  -8.390  -5.233
  658   2HB   GLN  85          HB3       GLN  85   2.873  -9.227  -6.671
  659   1HG   GLN  85          HG2       GLN  85   5.244  -8.956  -6.654
  660   2HG   GLN  85          HG3       GLN  85   4.530  -8.138  -8.029
  661   1HE2  GLN  85          2HE2      GLN  85   6.770  -7.843  -5.487
  662   2HE2  GLN  85          1HE2      GLN  85   7.090  -6.131  -5.702
  663    H    LEU  86           H        LEU  86   3.624  -5.159  -6.182
  664    HA   LEU  86           HA       LEU  86   2.843  -4.600  -3.469
  665   1HB   LEU  86          HB2       LEU  86   5.042  -4.114  -4.373
  666   2HB   LEU  86          HB3       LEU  86   4.359  -3.001  -5.527
  667    HG   LEU  86           HG       LEU  86   5.590  -2.056  -3.553
  668   1HD1  LEU  86          1HD1      LEU  86   4.306  -0.115  -3.348
  669   2HD1  LEU  86          2HD1      LEU  86   2.797  -0.920  -3.793
  670   3HD1  LEU  86          3HD1      LEU  86   4.091  -0.706  -5.005
  671   1HD2  LEU  86          1HD2      LEU  86   4.388  -1.630  -1.460
  672   2HD2  LEU  86          2HD2      LEU  86   3.056  -2.668  -1.972
  673   3HD2  LEU  86          3HD2      LEU  86   4.667  -3.371  -1.690
  674    H    MET  87           H        MET  87   1.695  -3.271  -6.627
  675    HA   MET  87           HA       MET  87   0.017  -1.313  -5.447
  676   1HB   MET  87          HB2       MET  87   0.648  -1.758  -7.988
  677   2HB   MET  87          HB3       MET  87  -0.821  -2.760  -7.974
  678   1HG   MET  87          HG2       MET  87  -1.886  -0.660  -6.774
  679   2HG   MET  87          HG3       MET  87  -0.468   0.191  -7.402
  680   1HE   MET  87          HE1       MET  87  -1.978   1.929  -8.462
  681   2HE   MET  87          HE2       MET  87  -3.418   1.535  -9.442
  682   3HE   MET  87          HE3       MET  87  -3.351   1.065  -7.729
  683    H    ALA  88           H        ALA  88  -0.690  -4.782  -6.331
  684    HA   ALA  88           HA       ALA  88  -3.337  -4.756  -5.238
  685   1HB   ALA  88          HB1       ALA  88  -3.114  -7.206  -5.343
  686   2HB   ALA  88          HB2       ALA  88  -2.469  -6.457  -6.820
  687   3HB   ALA  88          HB3       ALA  88  -1.365  -7.068  -5.577
  688    H    ALA  89           H        ALA  89  -0.180  -5.652  -3.697
  689    HA   ALA  89           HA       ALA  89  -1.260  -6.285  -1.140
  690   1HB   ALA  89          HB1       ALA  89   1.025  -6.043  -0.346
  691   2HB   ALA  89          HB2       ALA  89   1.010  -6.877  -1.908
  692   3HB   ALA  89          HB3       ALA  89   1.478  -5.161  -1.827
  693    H    PHE  90           H        PHE  90  -0.211  -3.120  -2.459
  694    HA   PHE  90           HA       PHE  90  -0.746  -1.539  -0.157
  695   1HB   PHE  90          HB2       PHE  90   0.425  -0.588  -2.026
  696   2HB   PHE  90          HB3       PHE  90  -0.869  -0.936  -3.148
  697    HD1  PHE  90           HD1      PHE  90   0.037   1.258  -0.202
  698    HD2  PHE  90           HD2      PHE  90  -2.689   0.665  -3.546
  699    HE1  PHE  90           HE1      PHE  90  -0.631   3.564  -0.104
  700    HE2  PHE  90           HE2      PHE  90  -3.535   2.944  -3.201
  701    HZ   PHE  90           HZ       PHE  90  -2.517   4.408  -1.471
  702    H    ILE  91           H        ILE  91  -2.914  -2.162  -2.987
  703    HA   ILE  91           HA       ILE  91  -5.196  -1.011  -1.864
  704    HB   ILE  91           HB       ILE  91  -4.946  -3.317  -3.844
  705   1HG1  ILE  91          2HG1      ILE  91  -5.643  -0.363  -4.218
  706   2HG1  ILE  91          3HG1      ILE  91  -4.044  -1.023  -4.481
  707   1HG2  ILE  91          1HG2      ILE  91  -7.446  -1.759  -3.026
  708   2HG2  ILE  91          2HG2      ILE  91  -7.338  -2.856  -4.424
  709   3HG2  ILE  91          3HG2      ILE  91  -7.154  -3.503  -2.811
  710   1HD1  ILE  91          1HD1      ILE  91  -5.011  -2.510  -6.281
  711   2HD1  ILE  91          2HD1      ILE  91  -6.526  -1.563  -6.120
  712   3HD1  ILE  91          3HD1      ILE  91  -5.026  -0.761  -6.595
  713    H    LYS  92           H        LYS  92  -4.158  -4.409  -1.569
  714    HA   LYS  92           HA       LYS  92  -6.236  -5.286   0.138
  715   1HB   LYS  92          HB2       LYS  92  -4.585  -6.719  -1.097
  716   2HB   LYS  92          HB3       LYS  92  -3.349  -6.277   0.072
  717   1HG   LYS  92          HG2       LYS  92  -4.193  -8.403   0.732
  718   2HG   LYS  92          HG3       LYS  92  -4.851  -7.243   1.898
  719   1HD   LYS  92          HD2       LYS  92  -7.004  -7.220   0.645
  720   2HD   LYS  92          HD3       LYS  92  -6.310  -8.274  -0.584
  721   1HE   LYS  92          HE2       LYS  92  -5.982 -10.029   1.186
  722   2HE   LYS  92          HE3       LYS  92  -6.848  -9.004   2.337
  723   1HZ   LYS  92          HZ1       LYS  92  -8.777  -9.102   0.810
  724   2HZ   LYS  92          HZ2       LYS  92  -7.940 -10.004  -0.213
  725   3HZ   LYS  92          HZ3       LYS  92  -8.284 -10.640   1.234
  726    H    GLN  93           H        GLN  93  -2.898  -4.300   1.199
  727    HA   GLN  93           HA       GLN  93  -3.630  -4.585   3.934
  728   1HB   GLN  93          HB3       GLN  93  -1.252  -4.552   2.872
  729   2HB   GLN  93          HB2       GLN  93  -1.295  -2.824   3.149
  730   1HG   GLN  93          HG2       GLN  93  -1.611  -5.046   5.241
  731   2HG   GLN  93          HG3       GLN  93  -0.151  -4.096   4.951
  732   1HE2  GLN  93          2HE2      GLN  93  -1.377  -4.274   7.651
  733   2HE2  GLN  93          1HE2      GLN  93  -1.975  -2.614   7.886
  734    H    ARG  94           H        ARG  94  -3.593  -1.687   1.767
  735    HA   ARG  94           HA       ARG  94  -4.273   0.282   3.690
  736   1HB   ARG  94          HB2       ARG  94  -5.223  -0.058   0.830
  737   2HB   ARG  94          HB3       ARG  94  -5.571   1.366   1.799
  738   1HG   ARG  94          HG2       ARG  94  -2.773   0.548   0.908
  739   2HG   ARG  94          HG3       ARG  94  -3.804   1.750   0.163
  740   1HD   ARG  94          HD2       ARG  94  -2.274   1.816   2.720
  741   2HD   ARG  94          HD3       ARG  94  -2.276   2.960   1.404
  742    HE   ARG  94           HE       ARG  94  -4.526   3.683   2.091
  743   1HH1  ARG  94          1HH1      ARG  94  -2.732   1.985   4.583
  744   2HH1  ARG  94          2HH1      ARG  94  -3.121   3.183   5.799
  745   1HH2  ARG  94          1HH2      ARG  94  -5.155   4.964   3.643
  746   2HH2  ARG  94          2HH2      ARG  94  -4.725   4.787   5.345
  747    H    THR  95           H        THR  95  -6.408  -1.873   1.848
  748    HA   THR  95           HA       THR  95  -8.820  -1.111   3.187
  749    HB   THR  95           HB       THR  95  -8.520  -3.936   2.145
  750    HG1  THR  95           HG1      THR  95  -7.731  -2.616   0.411
  751   1HG2  THR  95          1HG2      THR  95 -10.845  -3.511   1.487
  752   2HG2  THR  95          2HG2      THR  95 -10.660  -3.064   3.196
  753   3HG2  THR  95          3HG2      THR  95 -10.678  -1.797   1.951
  754    H    ALA  96           H        ALA  96  -6.543  -3.805   3.916
  755    HA   ALA  96           HA       ALA  96  -7.877  -4.876   6.174
  756   1HB   ALA  96          HB1       ALA  96  -4.886  -4.785   5.683
  757   2HB   ALA  96          HB2       ALA  96  -5.768  -5.948   6.683
  758   3HB   ALA  96          HB3       ALA  96  -6.000  -5.966   4.932
  759    H    LYS  97           H        LYS  97  -5.419  -2.268   6.078
  760    HA   LYS  97           HA       LYS  97  -5.212  -1.512   8.835
  761   1HB   LYS  97          HB2       LYS  97  -3.656  -0.579   7.422
  762   2HB   LYS  97          HB3       LYS  97  -4.793  -0.277   6.132
  763   1HG   LYS  97          HG2       LYS  97  -3.957   1.748   7.115
  764   2HG   LYS  97          HG3       LYS  97  -5.714   1.641   7.268
  765   1HD   LYS  97          HD2       LYS  97  -5.445   0.920   9.643
  766   2HD   LYS  97          HD3       LYS  97  -3.690   1.076   9.486
  767   1HE   LYS  97          HE2       LYS  97  -4.777   3.004  10.642
  768   2HE   LYS  97          HE3       LYS  97  -3.871   3.466   9.195
  769   1HZ   LYS  97          HZ1       LYS  97  -5.861   4.592   9.191
  770   2HZ   LYS  97          HZ2       LYS  97  -5.935   3.581   7.987
  771   3HZ   LYS  97          HZ3       LYS  97  -6.809   3.245   9.373
  772    H    TYR  98           H        TYR  98  -7.394  -0.257   6.217
  773    HA   TYR  98           HA       TYR  98  -8.923   1.304   7.981
  774   1HB   TYR  98          HB2       TYR  98  -9.621   0.086   5.293
  775   2HB   TYR  98          HB3       TYR  98 -10.717   1.132   6.193
  776    HD1  TYR  98           HD1      TYR  98  -8.919   3.272   7.240
  777    HD2  TYR  98           HD2      TYR  98  -9.041   1.248   3.419
  778    HE1  TYR  98           HE1      TYR  98  -8.054   5.277   6.165
  779    HE2  TYR  98           HE2      TYR  98  -8.358   3.294   2.288
  780    HH   TYR  98           HH       TYR  98  -7.114   5.527   2.957
  781    H    VAL  99           H        VAL  99  -9.932  -2.018   6.777
  782    HA   VAL  99           HA       VAL  99 -12.367  -1.866   8.125
  783    HB   VAL  99           HB       VAL  99 -12.553  -4.319   7.998
  784   1HG1  VAL  99          1HG1      VAL  99 -13.175  -3.111   6.043
  785   2HG1  VAL  99          2HG1      VAL  99 -11.483  -2.933   5.510
  786   3HG1  VAL  99          3HG1      VAL  99 -12.277  -4.522   5.501
  787   1HG2  VAL  99          1HG2      VAL  99 -10.815  -5.715   7.140
  788   2HG2  VAL  99          2HG2      VAL  99  -9.742  -4.315   6.877
  789   3HG2  VAL  99          3HG2      VAL  99 -10.145  -4.859   8.531
  790    H    ALA 100           H        ALA 100  -9.293  -2.461   9.610
  791    HA   ALA 100           HA       ALA 100 -10.496  -3.487  12.099
  792   1HB   ALA 100          HB1       ALA 100  -7.615  -2.874  11.324
  793   2HB   ALA 100          HB2       ALA 100  -8.147  -3.730  12.787
  794   3HB   ALA 100          HB3       ALA 100  -8.422  -4.457  11.188
  795    H    ASN 101           H        ASN 101  -9.955  -0.374  10.844
  796    HA   ASN 101           HA       ASN 101 -10.153   0.772  13.601
  797   1HB   ASN 101          HB2       ASN 101  -8.407   2.130  13.361
  798   2HB   ASN 101          HB3       ASN 101  -7.889   1.021  12.117
  799   1HD2  ASN 101          2HD2      ASN 101  -9.692   4.110  12.652
  800   2HD2  ASN 101          1HD2      ASN 101  -9.228   4.752  11.071
  801    H    GLN 102           H        GLN 102 -11.193   0.994  10.293
  802    HA   GLN 102           HA       GLN 102 -13.696   2.298  11.100
  803   1HB   GLN 102          HB2       GLN 102 -12.085   3.118   8.647
  804   2HB   GLN 102          HB3       GLN 102 -13.776   3.505   8.961
  805   1HG   GLN 102          HG2       GLN 102 -12.694   4.441  11.274
  806   2HG   GLN 102          HG3       GLN 102 -11.299   4.610  10.192
  807   1HE2  GLN 102          1HE2      GLN 102 -14.841   5.390  10.477
  808   2HE2  GLN 102          2HE2      GLN 102 -14.689   6.932   9.640
  809    HA   PRO 103           HA       PRO 103 -14.192  -1.874   9.123
  810   1HB   PRO 103          HB2       PRO 103 -16.685  -1.532  10.788
  811   2HB   PRO 103          HB3       PRO 103 -15.698  -3.014  10.528
  812   1HG   PRO 103          HG2       PRO 103 -15.500  -1.606  12.826
  813   2HG   PRO 103          HG3       PRO 103 -14.018  -2.215  12.034
  814   1HD   PRO 103          HD2       PRO 103 -15.177   0.568  11.957
  815   2HD   PRO 103          HD3       PRO 103 -13.478   0.051  12.137
  816    H    GLY 104           H        GLY 104 -16.081   1.065   8.887
  817   1HA   GLY 104          HA2       GLY 104 -16.727   1.500   6.496
  818   2HA   GLY 104          HA3       GLY 104 -17.631  -0.013   6.540
  819    H    MET 105           H        MET 105 -19.066  -0.108   8.667
  820    HA   MET 105           HA       MET 105 -20.935   2.137   8.668
  821   1HB   MET 105          HB2       MET 105 -22.254   0.835  10.192
  822   2HB   MET 105          HB3       MET 105 -21.672  -0.236   8.919
  823   1HG   MET 105          HG2       MET 105 -20.475  -0.015  11.713
  824   2HG   MET 105          HG3       MET 105 -21.655  -1.211  11.206
  825   1HE   MET 105          HE1       MET 105 -18.387  -3.259  11.810
  826   2HE   MET 105          HE2       MET 105 -18.894  -1.785  12.673
  827   3HE   MET 105          HE3       MET 105 -20.088  -3.033  12.266
  828    H    GLN 106           H        GLN 106 -17.977   1.692  10.116
  829    HA   GLN 106           HA       GLN 106 -18.173   3.967  11.866
  830   1HB   GLN 106          HB2       GLN 106 -18.596   2.057  13.408
  831   2HB   GLN 106          HB3       GLN 106 -17.152   1.234  12.826
  832   1HG   GLN 106          HG2       GLN 106 -16.848   4.016  13.966
  833   2HG   GLN 106          HG3       GLN 106 -17.248   2.714  15.078
  834   1HE2  GLN 106          2HE2      GLN 106 -14.820   3.777  12.699
  835   2HE2  GLN 106          1HE2      GLN 106 -13.488   2.893  13.433
  Start of MODEL   18
    1   1H    GLU   1          H1        GLU   1  15.703  -9.531  -5.836
    2   2H    GLU   1          H2        GLU   1  14.670  -8.589  -6.674
    3   3H    GLU   1          H3        GLU   1  14.235 -10.078  -6.250
    4    HA   GLU   1           HA       GLU   1  14.633 -10.203  -8.493
    5   1HB   GLU   1          HB2       GLU   1  15.946  -8.028  -8.411
    6   2HB   GLU   1          HB3       GLU   1  17.374  -9.030  -8.164
    7   1HG   GLU   1          HG2       GLU   1  17.111  -8.375 -10.505
    8   2HG   GLU   1          HG3       GLU   1  16.933 -10.117 -10.370
    9    H    GLY   2           H        GLY   2  15.870 -11.545  -5.699
   10   1HA   GLY   2          HA2       GLY   2  16.882 -13.920  -7.164
   11   2HA   GLY   2          HA3       GLY   2  17.323 -13.451  -5.522
   12    H    GLN   3           H        GLN   3  14.069 -12.715  -6.152
   13    HA   GLN   3           HA       GLN   3  12.090 -13.354  -5.500
   14   1HB   GLN   3          HB2       GLN   3  13.123 -16.086  -6.254
   15   2HB   GLN   3          HB3       GLN   3  11.484 -15.814  -5.649
   16   1HG   GLN   3          HG2       GLN   3  11.383 -15.801  -8.016
   17   2HG   GLN   3          HG3       GLN   3  11.067 -14.170  -7.447
   18   1HE2  GLN   3          2HE2      GLN   3  12.870 -12.479  -7.877
   19   2HE2  GLN   3          1HE2      GLN   3  13.985 -12.871  -9.162
   20    H    SER   4           H        SER   4  14.620 -14.906  -3.696
   21    HA   SER   4           HA       SER   4  13.105 -15.355  -1.252
   22   1HB   SER   4          HB2       SER   4  16.071 -14.831  -1.693
   23   2HB   SER   4          HB3       SER   4  15.340 -15.423  -0.183
   24    HG   SER   4           HG       SER   4  15.318 -16.745  -2.706
   25    H    ASP   5           H        ASP   5  14.420 -12.440  -2.803
   26    HA   ASP   5           HA       ASP   5  14.069 -10.860  -0.382
   27   1HB   ASP   5          HB2       ASP   5  15.148  -9.107  -1.757
   28   2HB   ASP   5          HB3       ASP   5  16.144 -10.539  -1.572
   29    H    GLU   6           H        GLU   6  12.415 -11.747  -3.287
   30    HA   GLU   6           HA       GLU   6  10.959  -9.361  -3.782
   31   1HB   GLU   6          HB2       GLU   6  10.527 -12.256  -4.459
   32   2HB   GLU   6          HB3       GLU   6   9.106 -11.228  -4.500
   33   1HG   GLU   6          HG2       GLU   6  10.236 -11.475  -6.699
   34   2HG   GLU   6          HG3       GLU   6   9.956  -9.822  -6.192
   35    H    ARG   7           H        ARG   7   9.929 -12.098  -1.730
   36    HA   ARG   7           HA       ARG   7   7.483 -10.706  -1.055
   37   1HB   ARG   7          HB2       ARG   7   8.533 -13.331  -0.543
   38   2HB   ARG   7          HB3       ARG   7   8.203 -12.644   1.032
   39   1HG   ARG   7          HG2       ARG   7   6.259 -12.786  -1.312
   40   2HG   ARG   7          HG3       ARG   7   6.257 -13.882   0.066
   41   1HD   ARG   7          HD2       ARG   7   5.645 -10.891   0.144
   42   2HD   ARG   7          HD3       ARG   7   4.478 -12.207   0.296
   43    HE   ARG   7           HE       ARG   7   6.112 -11.084   2.377
   44   1HH1  ARG   7          1HH1      ARG   7   4.570 -14.101   1.562
   45   2HH1  ARG   7          2HH1      ARG   7   4.508 -14.580   3.262
   46   1HH2  ARG   7          2HH2      ARG   7   5.989 -11.616   4.250
   47   2HH2  ARG   7          1HH2      ARG   7   5.319 -13.118   4.889
   48    H    ALA   8           H        ALA   8  10.638 -10.833   0.532
   49    HA   ALA   8           HA       ALA   8   9.920  -9.326   2.868
   50   1HB   ALA   8          HB1       ALA   8  11.937 -10.749   2.677
   51   2HB   ALA   8          HB2       ALA   8  12.589  -9.677   1.424
   52   3HB   ALA   8          HB3       ALA   8  12.365  -9.074   3.094
   53    H    LEU   9           H        LEU   9  11.248  -8.250  -0.377
   54    HA   LEU   9           HA       LEU   9  11.295  -5.550   0.594
   55   1HB   LEU   9          HB2       LEU   9  12.660  -5.054  -0.928
   56   2HB   LEU   9          HB3       LEU   9  12.767  -6.736  -1.264
   57    HG   LEU   9           HG       LEU   9  12.735  -5.288  -3.218
   58   1HD1  LEU   9          1HD1      LEU   9  10.371  -7.154  -3.171
   59   2HD1  LEU   9          2HD1      LEU   9  11.264  -6.563  -4.608
   60   3HD1  LEU   9          3HD1      LEU   9  12.086  -7.587  -3.434
   61   1HD2  LEU   9          1HD2      LEU   9  11.025  -3.946  -3.976
   62   2HD2  LEU   9          2HD2      LEU   9   9.801  -4.705  -2.921
   63   3HD2  LEU   9          3HD2      LEU   9  11.027  -3.639  -2.223
   64    H    LEU  10           H        LEU  10   8.931  -7.470  -1.169
   65    HA   LEU  10           HA       LEU  10   7.001  -5.407  -1.713
   66   1HB   LEU  10          HB2       LEU  10   7.017  -7.607  -2.758
   67   2HB   LEU  10          HB3       LEU  10   6.931  -8.393  -1.190
   68    HG   LEU  10           HG       LEU  10   4.616  -7.704  -0.881
   69   1HD1  LEU  10          1HD1      LEU  10   4.472  -5.589  -2.020
   70   2HD1  LEU  10          2HD1      LEU  10   5.017  -6.301  -3.559
   71   3HD1  LEU  10          3HD1      LEU  10   3.425  -6.705  -2.900
   72   1HD2  LEU  10          1HD2      LEU  10   5.261  -8.989  -3.581
   73   2HD2  LEU  10          2HD2      LEU  10   5.116  -9.803  -2.014
   74   3HD2  LEU  10          3HD2      LEU  10   3.690  -9.073  -2.769
   75    H    ASP  11           H        ASP  11   7.462  -7.615   1.101
   76    HA   ASP  11           HA       ASP  11   5.344  -6.577   2.660
   77   1HB   ASP  11          HB2       ASP  11   7.910  -8.005   3.385
   78   2HB   ASP  11          HB3       ASP  11   6.819  -7.408   4.628
   79    H    GLN  12           H        GLN  12   8.797  -5.530   2.831
   80    HA   GLN  12           HA       GLN  12   8.146  -3.460   4.681
   81   1HB   GLN  12          HB2       GLN  12  10.363  -2.618   4.390
   82   2HB   GLN  12          HB3       GLN  12  10.393  -4.390   4.307
   83   1HG   GLN  12          HG2       GLN  12  11.904  -3.853   2.713
   84   2HG   GLN  12          HG3       GLN  12  10.417  -4.257   1.843
   85   1HE2  GLN  12          1HE2      GLN  12  10.260  -2.988   0.037
   86   2HE2  GLN  12          2HE2      GLN  12  10.824  -1.301  -0.005
   87    H    LEU  13           H        LEU  13   7.917  -3.441   1.114
   88    HA   LEU  13           HA       LEU  13   7.517  -0.593   1.085
   89   1HB   LEU  13          HB2       LEU  13   8.448  -2.081  -0.762
   90   2HB   LEU  13          HB3       LEU  13   6.824  -2.615  -1.092
   91    HG   LEU  13           HG       LEU  13   6.223  -0.380  -1.882
   92   1HD1  LEU  13          1HD1      LEU  13   8.899   0.509  -0.700
   93   2HD1  LEU  13          2HD1      LEU  13   7.969   1.476  -1.849
   94   3HD1  LEU  13          3HD1      LEU  13   7.249   1.072  -0.289
   95   1HD2  LEU  13          1HD2      LEU  13   7.749  -0.076  -3.718
   96   2HD2  LEU  13          2HD2      LEU  13   9.082  -0.838  -2.848
   97   3HD2  LEU  13          3HD2      LEU  13   7.713  -1.819  -3.394
   98    H    HIS  14           H        HIS  14   5.250  -3.429   1.095
   99    HA   HIS  14           HA       HIS  14   2.969  -1.597   0.866
  100   1HB   HIS  14          HB2       HIS  14   1.513  -3.390   0.989
  101   2HB   HIS  14          HB3       HIS  14   2.884  -3.963   0.054
  102    HD2  HIS  14           HD2      HIS  14   3.511  -6.360   0.618
  103    HE1  HIS  14           HE1      HIS  14   2.332  -6.516   4.702
  104    HE2  HIS  14           HE2      HIS  14   3.445  -7.803   2.814
  105    H    THR  15           H        THR  15   4.739  -2.978   3.565
  106    HA   THR  15           HA       THR  15   3.074  -1.947   5.665
  107    HB   THR  15           HB       THR  15   6.126  -2.085   5.737
  108    HG1  THR  15           HG1      THR  15   5.365  -4.100   5.147
  109   1HG2  THR  15          1HG2      THR  15   3.994  -2.349   7.916
  110   2HG2  THR  15          2HG2      THR  15   5.720  -2.596   8.159
  111   3HG2  THR  15          3HG2      THR  15   5.119  -0.986   7.708
  112    H    LEU  16           H        LEU  16   5.966  -0.421   4.066
  113    HA   LEU  16           HA       LEU  16   5.759   2.079   5.274
  114   1HB   LEU  16          HB2       LEU  16   7.639   1.409   3.781
  115   2HB   LEU  16          HB3       LEU  16   6.524   1.254   2.439
  116    HG   LEU  16           HG       LEU  16   6.093   3.858   2.954
  117   1HD1  LEU  16          1HD1      LEU  16   8.170   5.021   3.508
  118   2HD1  LEU  16          2HD1      LEU  16   7.646   4.007   4.865
  119   3HD1  LEU  16          3HD1      LEU  16   8.982   3.471   3.833
  120   1HD2  LEU  16          1HD2      LEU  16   7.949   4.262   1.242
  121   2HD2  LEU  16          2HD2      LEU  16   8.226   2.502   1.307
  122   3HD2  LEU  16          3HD2      LEU  16   6.645   3.148   0.811
  123    H    LEU  17           H        LEU  17   3.992   1.084   2.219
  124    HA   LEU  17           HA       LEU  17   2.562   3.574   2.103
  125   1HB   LEU  17          HB2       LEU  17   1.896   0.776   1.064
  126   2HB   LEU  17          HB3       LEU  17   0.796   2.127   0.941
  127    HG   LEU  17           HG       LEU  17   1.880   1.795  -1.187
  128   1HD1  LEU  17          1HD1      LEU  17   1.966   4.319   0.223
  129   2HD1  LEU  17          2HD1      LEU  17   3.092   4.177  -1.173
  130   3HD1  LEU  17          3HD1      LEU  17   1.370   3.867  -1.361
  131   1HD2  LEU  17          1HD2      LEU  17   3.863   0.736  -0.609
  132   2HD2  LEU  17          2HD2      LEU  17   4.200   2.155  -1.603
  133   3HD2  LEU  17          3HD2      LEU  17   4.517   2.228   0.152
  134    H    SER  18           H        SER  18   2.029   0.878   4.239
  135    HA   SER  18           HA       SER  18  -0.769   1.800   4.814
  136   1HB   SER  18          HB2       SER  18   0.296  -0.932   5.351
  137   2HB   SER  18          HB3       SER  18  -1.397  -0.389   5.166
  138    HG   SER  18           HG       SER  18   0.589  -0.798   3.221
  139    H    ASN  19           H        ASN  19   2.019   2.264   6.117
  140    HA   ASN  19           HA       ASN  19   2.471   1.316   8.537
  141   1HB   ASN  19          HB2       ASN  19   3.928   3.304   8.729
  142   2HB   ASN  19          HB3       ASN  19   3.854   2.798   7.079
  143   1HD2  ASN  19          1HD2      ASN  19   3.385   4.416   5.565
  144   2HD2  ASN  19          2HD2      ASN  19   2.607   5.940   6.030
  145    H    THR  20           H        THR  20  -0.304   2.930   8.083
  146    HA   THR  20           HA       THR  20  -2.044   3.160   9.556
  147    HB   THR  20           HB       THR  20  -1.943   4.363  11.693
  148    HG1  THR  20           HG1      THR  20   0.795   3.923  11.406
  149   1HG2  THR  20          1HG2      THR  20  -0.415   1.732  11.489
  150   2HG2  THR  20          2HG2      THR  20  -1.140   2.390  12.965
  151   3HG2  THR  20          3HG2      THR  20  -2.175   1.941  11.604
  152    H    ASP  21           H        ASP  21   0.232   5.608   8.415
  153    HA   ASP  21           HA       ASP  21  -1.502   7.792   8.758
  154   1HB   ASP  21          HB2       ASP  21   0.851   8.065   8.080
  155   2HB   ASP  21          HB3       ASP  21   0.490   7.365   6.500
  156    H    ALA  22           H        ALA  22  -2.723   8.900   7.332
  157    HA   ALA  22           HA       ALA  22  -3.818   7.774   4.849
  158   1HB   ALA  22          HB1       ALA  22  -5.387   6.884   6.496
  159   2HB   ALA  22          HB2       ALA  22  -5.636   8.508   7.168
  160   3HB   ALA  22          HB3       ALA  22  -6.162   8.118   5.507
  161    H    THR  23           H        THR  23  -2.537  10.436   6.477
  162    HA   THR  23           HA       THR  23  -4.264  12.529   6.090
  163    HB   THR  23           HB       THR  23  -1.213  12.656   5.925
  164    HG1  THR  23           HG1      THR  23  -1.643  11.491   7.703
  165   1HG2  THR  23          1HG2      THR  23  -2.294  14.858   5.591
  166   2HG2  THR  23          2HG2      THR  23  -3.231  14.634   7.088
  167   3HG2  THR  23          3HG2      THR  23  -1.468  14.775   7.155
  168    H    GLY  24           H        GLY  24  -1.780  11.597   3.785
  169   1HA   GLY  24          HA2       GLY  24  -3.327  13.083   1.648
  170   2HA   GLY  24          HA3       GLY  24  -1.584  12.817   1.575
  171    H    LEU  25           H        LEU  25  -1.967  10.022   2.649
  172    HA   LEU  25           HA       LEU  25  -2.223   8.483   0.284
  173   1HB   LEU  25          HB2       LEU  25  -2.457   7.888   3.235
  174   2HB   LEU  25          HB3       LEU  25  -2.719   6.615   2.037
  175    HG   LEU  25           HG       LEU  25  -0.207   8.287   1.814
  176   1HD1  LEU  25          1HD1      LEU  25  -0.404   7.686   4.227
  177   2HD1  LEU  25          2HD1      LEU  25  -0.421   5.970   3.751
  178   3HD1  LEU  25          3HD1      LEU  25   0.999   6.978   3.416
  179   1HD2  LEU  25          1HD2      LEU  25   0.697   6.207   0.933
  180   2HD2  LEU  25          2HD2      LEU  25  -0.757   5.307   1.417
  181   3HD2  LEU  25          3HD2      LEU  25  -0.848   6.539   0.125
  182    H    GLU  26           H        GLU  26  -4.793   9.527   2.590
  183    HA   GLU  26           HA       GLU  26  -6.898   7.960   1.769
  184   1HB   GLU  26          HB2       GLU  26  -7.210   9.381   3.582
  185   2HB   GLU  26          HB3       GLU  26  -6.643  10.812   2.697
  186   1HG   GLU  26          HG2       GLU  26  -8.984  10.978   3.132
  187   2HG   GLU  26          HG3       GLU  26  -8.621  10.952   1.418
  188    H    GLU  27           H        GLU  27  -5.613  10.807  -0.031
  189    HA   GLU  27           HA       GLU  27  -7.819  10.784  -1.939
  190   1HB   GLU  27          HB2       GLU  27  -6.341  12.782  -1.420
  191   2HB   GLU  27          HB3       GLU  27  -5.026  11.951  -2.241
  192   1HG   GLU  27          HG2       GLU  27  -5.994  13.538  -3.787
  193   2HG   GLU  27          HG3       GLU  27  -6.455  11.935  -4.347
  194    H    ILE  28           H        ILE  28  -4.482   9.516  -2.008
  195    HA   ILE  28           HA       ILE  28  -4.508   8.295  -4.573
  196    HB   ILE  28           HB       ILE  28  -2.956   7.642  -2.062
  197   1HG1  ILE  28          2HG1      ILE  28  -1.940   9.202  -4.451
  198   2HG1  ILE  28          3HG1      ILE  28  -2.851  10.058  -3.233
  199   1HG2  ILE  28          1HG2      ILE  28  -2.340   6.893  -4.960
  200   2HG2  ILE  28          2HG2      ILE  28  -1.337   6.541  -3.530
  201   3HG2  ILE  28          3HG2      ILE  28  -2.891   5.757  -3.726
  202   1HD1  ILE  28          1HD1      ILE  28  -0.505   8.340  -2.494
  203   2HD1  ILE  28          2HD1      ILE  28  -0.398  10.098  -2.848
  204   3HD1  ILE  28          3HD1      ILE  28  -1.349   9.525  -1.472
  205    H    ASP  29           H        ASP  29  -5.591   7.227  -1.398
  206    HA   ASP  29           HA       ASP  29  -6.101   4.470  -1.969
  207   1HB   ASP  29          HB2       ASP  29  -7.143   6.370   0.173
  208   2HB   ASP  29          HB3       ASP  29  -7.579   4.668   0.091
  209    H    ARG  30           H        ARG  30  -8.354   7.327  -1.700
  210    HA   ARG  30           HA       ARG  30 -10.559   5.826  -2.798
  211   1HB   ARG  30          HB2       ARG  30 -11.828   7.851  -2.758
  212   2HB   ARG  30          HB3       ARG  30 -10.845   7.738  -1.294
  213   1HG   ARG  30          HG2       ARG  30  -9.251   9.332  -2.187
  214   2HG   ARG  30          HG3       ARG  30 -10.183   9.504  -3.678
  215   1HD   ARG  30          HD2       ARG  30 -12.083  10.424  -2.477
  216   2HD   ARG  30          HD3       ARG  30 -11.426   9.915  -0.918
  217    HE   ARG  30           HE       ARG  30 -10.031  11.949  -2.588
  218   1HH1  ARG  30          1HH2      ARG  30 -10.983  10.987   0.664
  219   2HH1  ARG  30          2HH2      ARG  30 -10.803  12.579   1.297
  220   1HH2  ARG  30          2HH1      ARG  30  -9.408  13.824  -1.601
  221   2HH2  ARG  30          1HH1      ARG  30  -9.796  14.156   0.059
  222    H    ALA  31           H        ALA  31  -8.019   7.759  -4.424
  223    HA   ALA  31           HA       ALA  31  -9.170   7.691  -7.013
  224   1HB   ALA  31          HB1       ALA  31  -7.189   9.010  -6.436
  225   2HB   ALA  31          HB2       ALA  31  -6.245   7.531  -6.164
  226   3HB   ALA  31          HB3       ALA  31  -6.830   7.914  -7.789
  227    H    LEU  32           H        LEU  32  -7.887   5.080  -5.101
  228    HA   LEU  32           HA       LEU  32  -8.301   3.136  -7.334
  229   1HB   LEU  32          HB2       LEU  32  -6.469   3.076  -4.904
  230   2HB   LEU  32          HB3       LEU  32  -6.846   1.638  -5.829
  231    HG   LEU  32           HG       LEU  32  -5.827   4.133  -7.235
  232   1HD1  LEU  32          1HD1      LEU  32  -4.189   3.737  -5.526
  233   2HD1  LEU  32          2HD1      LEU  32  -4.165   1.986  -5.868
  234   3HD1  LEU  32          3HD1      LEU  32  -3.545   3.168  -7.056
  235   1HD2  LEU  32          1HD2      LEU  32  -5.572   1.161  -7.885
  236   2HD2  LEU  32          2HD2      LEU  32  -6.754   2.268  -8.612
  237   3HD2  LEU  32          3HD2      LEU  32  -5.037   2.546  -8.885
  238    H    GLY  33           H        GLY  33 -10.216   4.489  -5.341
  239   1HA   GLY  33          HA2       GLY  33 -12.271   3.971  -4.500
  240   2HA   GLY  33          HA3       GLY  33 -12.113   2.422  -5.305
  241    H    ILE  34           H        ILE  34  -9.613   2.905  -3.013
  242    HA   ILE  34           HA       ILE  34 -10.210   0.566  -1.676
  243    HB   ILE  34           HB       ILE  34  -8.397   2.803  -0.748
  244   1HG1  ILE  34          2HG1      ILE  34  -7.896   0.295  -2.428
  245   2HG1  ILE  34          3HG1      ILE  34  -7.906   1.935  -3.042
  246   1HG2  ILE  34          1HG2      ILE  34  -8.984   1.140   1.073
  247   2HG2  ILE  34          2HG2      ILE  34  -8.366  -0.141  -0.004
  248   3HG2  ILE  34          3HG2      ILE  34  -7.282   1.129   0.614
  249   1HD1  ILE  34          1HD1      ILE  34  -5.964   2.452  -1.471
  250   2HD1  ILE  34          2HD1      ILE  34  -5.876   0.706  -1.174
  251   3HD1  ILE  34          3HD1      ILE  34  -5.648   1.334  -2.821
  252    HA   PRO  35           HA       PRO  35 -12.292   2.880   2.049
  253   1HB   PRO  35          HB2       PRO  35 -13.548   5.105   0.434
  254   2HB   PRO  35          HB3       PRO  35 -13.117   5.080   2.180
  255   1HG   PRO  35          HG2       PRO  35 -11.469   6.327   0.448
  256   2HG   PRO  35          HG3       PRO  35 -10.783   5.218   1.677
  257   1HD   PRO  35          HD2       PRO  35 -11.427   4.623  -1.225
  258   2HD   PRO  35          HD3       PRO  35  -9.907   4.298  -0.335
  259    H    GLU  36           H        GLU  36 -13.518   2.358  -1.226
  260    HA   GLU  36           HA       GLU  36 -16.164   1.545  -0.182
  261   1HB   GLU  36          HB2       GLU  36 -15.292   2.602  -2.688
  262   2HB   GLU  36          HB3       GLU  36 -15.671   0.916  -3.005
  263   1HG   GLU  36          HG2       GLU  36 -17.475   3.024  -1.743
  264   2HG   GLU  36          HG3       GLU  36 -17.641   2.327  -3.352
  265    H    LEU  37           H        LEU  37 -13.195   0.200  -1.640
  266    HA   LEU  37           HA       LEU  37 -13.905  -2.547  -1.595
  267   1HB   LEU  37          HB2       LEU  37 -11.143  -1.418  -1.040
  268   2HB   LEU  37          HB3       LEU  37 -11.551  -3.044  -1.563
  269    HG   LEU  37           HG       LEU  37 -11.920  -0.521  -3.229
  270   1HD1  LEU  37          1HD1      LEU  37  -9.587  -1.323  -2.956
  271   2HD1  LEU  37          2HD1      LEU  37 -10.082  -2.919  -3.569
  272   3HD1  LEU  37          3HD1      LEU  37 -10.171  -1.473  -4.616
  273   1HD2  LEU  37          1HD2      LEU  37 -12.495  -2.073  -5.080
  274   2HD2  LEU  37          2HD2      LEU  37 -12.549  -3.423  -3.919
  275   3HD2  LEU  37          3HD2      LEU  37 -13.717  -2.083  -3.806
  276    H    VAL  38           H        VAL  38 -12.903  -0.435   1.008
  277    HA   VAL  38           HA       VAL  38 -12.705  -2.211   3.210
  278    HB   VAL  38           HB       VAL  38 -13.633   0.637   2.887
  279   1HG1  VAL  38          1HG1      VAL  38 -13.492   0.965   5.343
  280   2HG1  VAL  38          2HG1      VAL  38 -14.874  -0.018   4.851
  281   3HG1  VAL  38          3HG1      VAL  38 -13.435  -0.797   5.541
  282   1HG2  VAL  38          1HG2      VAL  38 -11.181  -0.534   4.246
  283   2HG2  VAL  38          2HG2      VAL  38 -11.223   0.168   2.620
  284   3HG2  VAL  38          3HG2      VAL  38 -11.555   1.198   4.013
  285    H    ASN  39           H        ASN  39 -15.666  -0.475   2.124
  286    HA   ASN  39           HA       ASN  39 -17.462  -1.813   3.867
  287   1HB   ASN  39          HB2       ASN  39 -17.994  -0.622   1.105
  288   2HB   ASN  39          HB3       ASN  39 -19.211  -0.958   2.314
  289   1HD2  ASN  39          2HD2      ASN  39 -18.311   1.550   0.996
  290   2HD2  ASN  39          1HD2      ASN  39 -17.869   2.660   2.302
  291    H    GLN  40           H        GLN  40 -16.542  -2.535   0.535
  292    HA   GLN  40           HA       GLN  40 -18.027  -4.896   0.069
  293   1HB   GLN  40          HB2       GLN  40 -15.416  -3.893  -1.088
  294   2HB   GLN  40          HB3       GLN  40 -16.268  -5.322  -1.694
  295   1HG   GLN  40          HG2       GLN  40 -18.229  -4.000  -2.280
  296   2HG   GLN  40          HG3       GLN  40 -17.576  -2.571  -1.497
  297   1HE2  GLN  40          2HE2      GLN  40 -17.421  -1.189  -3.263
  298   2HE2  GLN  40          1HE2      GLN  40 -16.372  -1.556  -4.636
  299    H    GLY  41           H        GLY  41 -15.416  -4.459   2.288
  300   1HA   GLY  41          HA2       GLY  41 -14.699  -5.951   3.858
  301   2HA   GLY  41          HA3       GLY  41 -15.535  -7.264   3.032
  302    H    GLN  42           H        GLN  42 -13.377  -5.380   1.104
  303    HA   GLN  42           HA       GLN  42 -11.964  -7.739   0.312
  304   1HB   GLN  42          HB2       GLN  42 -11.367  -4.846  -0.342
  305   2HB   GLN  42          HB3       GLN  42 -10.746  -6.256  -1.203
  306   1HG   GLN  42          HG2       GLN  42 -13.676  -5.400  -1.060
  307   2HG   GLN  42          HG3       GLN  42 -12.619  -5.314  -2.469
  308   1HE2  GLN  42          2HE2      GLN  42 -14.836  -7.490  -0.663
  309   2HE2  GLN  42          1HE2      GLN  42 -14.264  -8.902  -1.527
  310    H    ALA  43           H        ALA  43 -11.406  -5.817   3.007
  311    HA   ALA  43           HA       ALA  43  -8.534  -6.187   3.302
  312   1HB   ALA  43          HB1       ALA  43 -10.823  -5.752   5.292
  313   2HB   ALA  43          HB2       ALA  43  -9.096  -5.707   5.697
  314   3HB   ALA  43          HB3       ALA  43  -9.772  -4.496   4.608
  315    H    LEU  44           H        LEU  44 -11.372  -8.279   3.712
  316    HA   LEU  44           HA       LEU  44  -9.923 -10.153   5.458
  317   1HB   LEU  44          HB2       LEU  44 -12.817 -10.152   4.529
  318   2HB   LEU  44          HB3       LEU  44 -12.139 -11.137   5.815
  319    HG   LEU  44           HG       LEU  44 -12.440  -8.106   5.844
  320   1HD1  LEU  44          1HD1      LEU  44 -14.569  -9.303   6.071
  321   2HD1  LEU  44          2HD1      LEU  44 -13.880 -10.296   7.390
  322   3HD1  LEU  44          3HD1      LEU  44 -14.100  -8.532   7.590
  323   1HD2  LEU  44          1HD2      LEU  44 -11.409 -10.010   8.005
  324   2HD2  LEU  44          2HD2      LEU  44 -10.470  -8.758   7.171
  325   3HD2  LEU  44          3HD2      LEU  44 -11.805  -8.301   8.250
  326    H    GLU  45           H        GLU  45 -11.178 -10.055   2.121
  327    HA   GLU  45           HA       GLU  45 -10.696 -12.879   1.608
  328   1HB   GLU  45          HB2       GLU  45 -10.941 -10.444  -0.202
  329   2HB   GLU  45          HB3       GLU  45 -10.580 -12.059  -0.805
  330   1HG   GLU  45          HG2       GLU  45 -12.717 -12.911   0.100
  331   2HG   GLU  45          HG3       GLU  45 -13.106 -11.285   0.704
  332    HA   PRO  46           HA       PRO  46  -6.210 -12.449   0.908
  333   1HB   PRO  46          HB2       PRO  46  -5.694 -14.607  -0.654
  334   2HB   PRO  46          HB3       PRO  46  -6.113 -14.742   1.091
  335   1HG   PRO  46          HG2       PRO  46  -7.949 -15.111  -1.290
  336   2HG   PRO  46          HG3       PRO  46  -7.744 -16.171   0.134
  337   1HD   PRO  46          HD2       PRO  46  -9.740 -14.296  -0.024
  338   2HD   PRO  46          HD3       PRO  46  -8.950 -14.693   1.531
  339    H    LYS  47           H        LYS  47  -8.484 -12.894  -1.735
  340    HA   LYS  47           HA       LYS  47  -6.899 -11.893  -3.962
  341   1HB   LYS  47          HB2       LYS  47  -8.847 -13.463  -4.214
  342   2HB   LYS  47          HB3       LYS  47  -9.888 -12.282  -3.459
  343   1HG   LYS  47          HG2       LYS  47  -8.839 -10.839  -5.643
  344   2HG   LYS  47          HG3       LYS  47  -8.914 -12.474  -6.262
  345   1HD   LYS  47          HD2       LYS  47 -10.995 -11.742  -6.843
  346   2HD   LYS  47          HD3       LYS  47 -11.375 -12.481  -5.301
  347   1HE   LYS  47          HE2       LYS  47 -10.858  -9.504  -5.783
  348   2HE   LYS  47          HE3       LYS  47 -12.454 -10.250  -5.696
  349   1HZ   LYS  47          HZ1       LYS  47 -11.896 -10.910  -3.403
  350   2HZ   LYS  47          HZ2       LYS  47 -10.512 -10.052  -3.461
  351   3HZ   LYS  47          HZ3       LYS  47 -11.944  -9.304  -3.562
  352    HT1  PRO  48           H2       PRO  48  15.102  -6.806 -12.722
  353    HT2  PRO  48           H3       PRO  48  14.925  -5.855 -14.096
  354    HA   PRO  48           HA       PRO  48  13.379  -5.871 -11.602
  355   1HB   PRO  48          HB2       PRO  48  12.913  -3.605 -13.556
  356   2HB   PRO  48          HB3       PRO  48  12.855  -3.643 -11.800
  357   1HG   PRO  48          HG2       PRO  48  15.136  -3.079 -13.587
  358   2HG   PRO  48          HG3       PRO  48  15.070  -2.838 -11.824
  359   1HD   PRO  48          HD2       PRO  48  16.650  -4.755 -12.846
  360   2HD   PRO  48          HD3       PRO  48  15.682  -5.041 -11.371
  361    H    ASN  49           H        ASN  49  13.156  -8.039 -12.733
  362    HA   ASN  49           HA       ASN  49  10.804  -7.868 -14.566
  363   1HB   ASN  49          HB2       ASN  49  11.567  -9.964 -15.702
  364   2HB   ASN  49          HB3       ASN  49  12.419  -8.483 -16.086
  365   1HD2  ASN  49          2HD2      ASN  49  14.598  -8.858 -16.412
  366   2HD2  ASN  49          1HD2      ASN  49  15.501  -9.981 -15.381
  367    H    ARG  50           H        ARG  50  12.292 -10.689 -12.857
  368    HA   ARG  50           HA       ARG  50   9.649 -11.415 -11.816
  369   1HB   ARG  50          HB2       ARG  50  12.408 -12.303 -10.869
  370   2HB   ARG  50          HB3       ARG  50  10.877 -12.916 -10.263
  371   1HG   ARG  50          HG2       ARG  50  11.106 -14.570 -11.714
  372   2HG   ARG  50          HG3       ARG  50  10.490 -13.445 -12.900
  373   1HD   ARG  50          HD2       ARG  50  12.432 -14.652 -13.725
  374   2HD   ARG  50          HD3       ARG  50  12.834 -12.936 -13.613
  375    HE   ARG  50           HE       ARG  50  13.665 -15.044 -11.614
  376   1HH1  ARG  50          1HH1      ARG  50  14.417 -11.870 -12.997
  377   2HH1  ARG  50          2HH1      ARG  50  14.979 -11.417 -11.471
  378   1HH2  ARG  50          1HH2      ARG  50  15.036 -14.539 -10.105
  379   2HH2  ARG  50          2HH2      ARG  50  16.010 -13.085 -10.193
  380    H    SER  51           H        SER  51  12.467  -9.636 -10.487
  381    HA   SER  51           HA       SER  51  10.857  -8.749  -8.198
  382   1HB   SER  51          HB2       SER  51  13.458  -8.803  -8.407
  383   2HB   SER  51          HB3       SER  51  13.308  -7.227  -9.191
  384    HG   SER  51           HG       SER  51  12.524  -8.024  -6.622
  385    H    ILE  52           H        ILE  52   9.055  -7.718  -8.879
  386    HA   ILE  52           HA       ILE  52   9.095  -6.005 -11.222
  387    HB   ILE  52           HB       ILE  52   6.686  -6.146  -9.386
  388   1HG1  ILE  52          2HG1      ILE  52   6.081  -8.251 -10.925
  389   2HG1  ILE  52          3HG1      ILE  52   7.822  -8.486 -10.922
  390   1HG2  ILE  52          1HG2      ILE  52   5.457  -6.042 -11.478
  391   2HG2  ILE  52          2HG2      ILE  52   6.680  -4.772 -11.485
  392   3HG2  ILE  52          3HG2      ILE  52   6.975  -6.251 -12.407
  393   1HD1  ILE  52          1HD1      ILE  52   6.872  -9.801  -9.120
  394   2HD1  ILE  52          2HD1      ILE  52   7.645  -8.441  -8.310
  395   3HD1  ILE  52          3HD1      ILE  52   5.884  -8.440  -8.565
  396    H    SER  53           H        SER  53   9.581  -5.517  -7.887
  397    HA   SER  53           HA       SER  53   9.079  -2.592  -7.978
  398   1HB   SER  53          HB2       SER  53   8.850  -2.889  -5.479
  399   2HB   SER  53          HB3       SER  53   7.589  -3.613  -6.504
  400    HG   SER  53           HG       SER  53   9.645  -4.878  -5.071
  401    HA   PRO  54           HA       PRO  54  13.494  -3.247  -6.130
  402   1HB   PRO  54          HB2       PRO  54  15.377  -3.750  -7.953
  403   2HB   PRO  54          HB3       PRO  54  14.356  -5.066  -7.302
  404   1HG   PRO  54          HG2       PRO  54  13.880  -3.439  -9.819
  405   2HG   PRO  54          HG3       PRO  54  13.982  -5.244  -9.690
  406   1HD   PRO  54          HD2       PRO  54  11.597  -3.949  -9.652
  407   2HD   PRO  54          HD3       PRO  54  11.915  -5.341  -8.568
  408    H    SER  55           H        SER  55  12.307  -1.590  -8.939
  409    HA   SER  55           HA       SER  55  14.138   0.713  -8.741
  410   1HB   SER  55          HB2       SER  55  12.572   1.660 -10.441
  411   2HB   SER  55          HB3       SER  55  13.267   0.100 -10.932
  412    HG   SER  55           HG       SER  55  10.952   0.310 -11.247
  413    H    ALA  56           H        ALA  56  10.675   0.074  -8.209
  414    HA   ALA  56           HA       ALA  56   9.969   2.351  -6.759
  415   1HB   ALA  56          HB1       ALA  56   8.083   0.993  -5.981
  416   2HB   ALA  56          HB2       ALA  56   8.422   0.654  -7.684
  417   3HB   ALA  56          HB3       ALA  56   8.936  -0.496  -6.428
  418    H    LEU  57           H        LEU  57  11.622  -0.582  -5.587
  419    HA   LEU  57           HA       LEU  57  11.779  -0.127  -2.847
  420   1HB   LEU  57          HB2       LEU  57  12.495  -2.173  -3.956
  421   2HB   LEU  57          HB3       LEU  57  13.625  -1.282  -4.945
  422    HG   LEU  57           HG       LEU  57  15.102  -0.930  -2.961
  423   1HD1  LEU  57          1HD1      LEU  57  13.135  -2.855  -1.633
  424   2HD1  LEU  57          2HD1      LEU  57  14.727  -2.383  -0.997
  425   3HD1  LEU  57          3HD1      LEU  57  13.427  -1.176  -1.164
  426   1HD2  LEU  57          1HD2      LEU  57  15.832  -3.337  -2.979
  427   2HD2  LEU  57          2HD2      LEU  57  14.298  -3.761  -3.790
  428   3HD2  LEU  57          3HD2      LEU  57  15.479  -2.732  -4.595
  429    H    GLN  58           H        GLN  58  13.377   1.681  -5.431
  430    HA   GLN  58           HA       GLN  58  14.880   3.304  -3.450
  431   1HB   GLN  58          HB2       GLN  58  15.320   2.606  -6.256
  432   2HB   GLN  58          HB3       GLN  58  14.976   4.305  -6.211
  433   1HG   GLN  58          HG2       GLN  58  17.113   2.911  -4.576
  434   2HG   GLN  58          HG3       GLN  58  17.371   3.922  -5.997
  435   1HE2  GLN  58          2HE2      GLN  58  17.824   4.042  -2.745
  436   2HE2  GLN  58          1HE2      GLN  58  17.435   5.762  -2.517
  437    H    ASP  59           H        ASP  59  12.618   3.762  -6.188
  438    HA   ASP  59           HA       ASP  59  12.046   6.453  -5.436
  439   1HB   ASP  59          HB2       ASP  59  11.291   4.537  -7.628
  440   2HB   ASP  59          HB3       ASP  59  10.189   5.882  -7.355
  441    H    LEU  60           H        LEU  60   9.975   3.579  -4.938
  442    HA   LEU  60           HA       LEU  60   7.716   5.288  -4.222
  443   1HB   LEU  60          HB2       LEU  60   7.435   3.160  -5.400
  444   2HB   LEU  60          HB3       LEU  60   8.062   2.285  -4.004
  445    HG   LEU  60           HG       LEU  60   6.154   2.713  -2.722
  446   1HD1  LEU  60          1HD1      LEU  60   5.263   4.797  -4.753
  447   2HD1  LEU  60          2HD1      LEU  60   4.297   4.179  -3.381
  448   3HD1  LEU  60          3HD1      LEU  60   5.749   5.105  -3.057
  449   1HD2  LEU  60          1HD2      LEU  60   4.261   2.002  -4.161
  450   2HD2  LEU  60          2HD2      LEU  60   5.178   2.443  -5.602
  451   3HD2  LEU  60          3HD2      LEU  60   5.755   1.107  -4.568
  452    H    LEU  61           H        LEU  61  10.218   3.262  -2.748
  453    HA   LEU  61           HA       LEU  61   9.584   3.559  -0.014
  454   1HB   LEU  61          HB2       LEU  61  11.267   1.998  -1.059
  455   2HB   LEU  61          HB3       LEU  61  12.356   3.367  -1.235
  456    HG   LEU  61           HG       LEU  61  12.381   3.642   1.236
  457   1HD1  LEU  61          1HD1      LEU  61  10.488   1.265   1.179
  458   2HD1  LEU  61          2HD1      LEU  61  11.464   1.612   2.595
  459   3HD1  LEU  61          3HD1      LEU  61  10.297   2.822   2.027
  460   1HD2  LEU  61          1HD2      LEU  61  14.070   2.194   0.160
  461   2HD2  LEU  61          2HD2      LEU  61  13.687   1.637   1.790
  462   3HD2  LEU  61          3HD2      LEU  61  13.023   0.795   0.377
  463    H    ARG  62           H        ARG  62  11.879   5.624  -1.971
  464    HA   ARG  62           HA       ARG  62  12.266   7.713  -0.118
  465   1HB   ARG  62          HB2       ARG  62  13.645   7.353  -2.039
  466   2HB   ARG  62          HB3       ARG  62  12.269   7.378  -3.144
  467   1HG   ARG  62          HG2       ARG  62  11.992   9.702  -2.995
  468   2HG   ARG  62          HG3       ARG  62  12.988   9.821  -1.556
  469   1HD   ARG  62          HD2       ARG  62  13.893  10.549  -3.951
  470   2HD   ARG  62          HD3       ARG  62  14.954   9.861  -2.722
  471    HE   ARG  62           HE       ARG  62  15.279   7.948  -4.060
  472   1HH1  ARG  62          2HH2      ARG  62  12.571   9.713  -5.519
  473   2HH1  ARG  62          1HH2      ARG  62  12.602   8.619  -6.883
  474   1HH2  ARG  62          1HH1      ARG  62  15.311   6.813  -5.749
  475   2HH2  ARG  62          2HH1      ARG  62  14.177   7.005  -7.070
  476    H    THR  63           H        THR  63   9.808   7.377  -2.691
  477    HA   THR  63           HA       THR  63   8.475   9.791  -2.408
  478    HB   THR  63           HB       THR  63   7.511   7.039  -3.237
  479    HG1  THR  63           HG1      THR  63   8.858   7.908  -4.589
  480   1HG2  THR  63          1HG2      THR  63   5.488   7.959  -2.588
  481   2HG2  THR  63          2HG2      THR  63   5.927   9.592  -3.168
  482   3HG2  THR  63          3HG2      THR  63   5.608   8.278  -4.334
  483    H    LEU  64           H        LEU  64   7.501   6.742  -0.710
  484    HA   LEU  64           HA       LEU  64   5.624   8.244   0.953
  485   1HB   LEU  64          HB2       LEU  64   6.305   5.473   0.366
  486   2HB   LEU  64          HB3       LEU  64   6.191   5.733   2.103
  487    HG   LEU  64           HG       LEU  64   4.196   4.847   0.909
  488   1HD1  LEU  64          1HD1      LEU  64   3.585   7.415   2.388
  489   2HD1  LEU  64          2HD1      LEU  64   2.568   5.959   2.189
  490   3HD1  LEU  64          3HD1      LEU  64   4.059   5.875   3.148
  491   1HD2  LEU  64          1HD2      LEU  64   4.313   6.338  -1.078
  492   2HD2  LEU  64          2HD2      LEU  64   2.703   6.320  -0.325
  493   3HD2  LEU  64          3HD2      LEU  64   3.773   7.706  -0.073
  494    H    LYS  65           H        LYS  65   9.017   7.341   1.349
  495    HA   LYS  65           HA       LYS  65   9.210   7.978   4.127
  496   1HB   LYS  65          HB2       LYS  65  11.152   7.864   1.824
  497   2HB   LYS  65          HB3       LYS  65  11.659   8.740   3.249
  498   1HG   LYS  65          HG2       LYS  65  11.176   6.784   4.674
  499   2HG   LYS  65          HG3       LYS  65  10.567   5.876   3.288
  500   1HD   LYS  65          HD2       LYS  65  12.762   5.849   2.242
  501   2HD   LYS  65          HD3       LYS  65  13.413   6.951   3.460
  502   1HE   LYS  65          HE2       LYS  65  14.108   4.610   3.847
  503   2HE   LYS  65          HE3       LYS  65  13.238   5.337   5.202
  504   1HZ   LYS  65          HZ1       LYS  65  12.462   3.103   4.766
  505   2HZ   LYS  65          HZ2       LYS  65  11.249   4.168   4.461
  506   3HZ   LYS  65          HZ3       LYS  65  12.069   3.484   3.221
  507    H    SER  66           H        SER  66   9.356  10.122   1.266
  508    HA   SER  66           HA       SER  66   9.432  12.595   2.821
  509   1HB   SER  66          HB2       SER  66   8.607  13.641   0.699
  510   2HB   SER  66          HB3       SER  66  10.160  12.819   0.626
  511    HG   SER  66           HG       SER  66   8.003  11.250  -0.137
  512    HA   PRO  67           HA       PRO  67   5.376  11.393   4.260
  513   1HB   PRO  67          HB2       PRO  67   5.286  14.087   5.634
  514   2HB   PRO  67          HB3       PRO  67   4.988  12.466   6.334
  515   1HG   PRO  67          HG2       PRO  67   7.316  13.724   6.814
  516   2HG   PRO  67          HG3       PRO  67   7.326  11.979   6.418
  517   1HD   PRO  67          HD2       PRO  67   7.795  14.319   4.542
  518   2HD   PRO  67          HD3       PRO  67   8.805  12.847   4.778
  519    H    SER  68           H        SER  68   3.248  11.733   4.205
  520    HA   SER  68           HA       SER  68   2.173  12.281   1.853
  521   1HB   SER  68          HB2       SER  68   0.686  12.319   4.494
  522   2HB   SER  68          HB3       SER  68   0.093  11.714   2.937
  523    HG   SER  68           HG       SER  68   0.925  10.185   4.581
  524    H    SER  69           H        SER  69   3.204  15.002   3.075
  525    HA   SER  69           HA       SER  69   0.745  16.643   3.010
  526   1HB   SER  69          HB2       SER  69   2.233  17.258   4.687
  527   2HB   SER  69          HB3       SER  69   3.627  17.345   3.612
  528    HG   SER  69           HG       SER  69   2.608  19.403   4.113
  529    HA   PRO  70           HA       PRO  70   2.003  18.102  -1.230
  530   1HB   PRO  70          HB2       PRO  70   4.539  18.126  -2.219
  531   2HB   PRO  70          HB3       PRO  70   3.890  19.434  -1.194
  532   1HG   PRO  70          HG2       PRO  70   5.654  17.132  -0.351
  533   2HG   PRO  70          HG3       PRO  70   5.781  18.863   0.088
  534   1HD   PRO  70          HD2       PRO  70   4.578  16.969   1.706
  535   2HD   PRO  70          HD3       PRO  70   4.088  18.693   1.674
  536    H    GLN  71           H        GLN  71   3.464  15.231   0.052
  537    HA   GLN  71           HA       GLN  71   3.410  13.683  -2.408
  538   1HB   GLN  71          HB2       GLN  71   4.022  12.973   0.496
  539   2HB   GLN  71          HB3       GLN  71   3.797  11.743  -0.707
  540   1HG   GLN  71          HG2       GLN  71   6.132  12.184  -0.656
  541   2HG   GLN  71          HG3       GLN  71   5.515  12.792  -2.178
  542   1HE2  GLN  71          2HE2      GLN  71   5.753  14.243   1.221
  543   2HE2  GLN  71          1HE2      GLN  71   6.699  15.594   0.582
  544    H    GLN  72           H        GLN  72   0.852  14.835  -0.718
  545    HA   GLN  72           HA       GLN  72  -1.041  12.703  -0.663
  546   1HB   GLN  72          HB2       GLN  72  -1.280  14.893   0.396
  547   2HB   GLN  72          HB3       GLN  72  -1.274  15.715  -1.145
  548   1HG   GLN  72          HG2       GLN  72  -3.426  13.659  -0.723
  549   2HG   GLN  72          HG3       GLN  72  -3.491  15.100   0.287
  550   1HE2  GLN  72          2HE2      GLN  72  -3.553  14.026  -3.119
  551   2HE2  GLN  72          1HE2      GLN  72  -4.421  15.504  -3.634
  552    H    GLN  73           H        GLN  73   0.525  14.158  -3.370
  553    HA   GLN  73           HA       GLN  73  -1.747  13.972  -5.202
  554   1HB   GLN  73          HB2       GLN  73  -0.389  15.223  -6.705
  555   2HB   GLN  73          HB3       GLN  73  -0.217  15.907  -5.092
  556   1HG   GLN  73          HG2       GLN  73   1.948  14.691  -4.812
  557   2HG   GLN  73          HG3       GLN  73   1.810  14.076  -6.465
  558   1HE2  GLN  73          2HE2      GLN  73   2.680  16.775  -4.493
  559   2HE2  GLN  73          1HE2      GLN  73   3.177  17.834  -5.827
  560    H    GLN  74           H        GLN  74  -0.656  13.374  -7.599
  561    HA   GLN  74           HA       GLN  74  -0.976  10.572  -7.689
  562   1HB   GLN  74          HB2       GLN  74  -0.735  10.755 -10.048
  563   2HB   GLN  74          HB3       GLN  74  -1.577  12.191  -9.494
  564   1HG   GLN  74          HG2       GLN  74   1.364  12.008 -10.315
  565   2HG   GLN  74          HG3       GLN  74   0.059  12.752 -11.231
  566   1HE2  GLN  74          2HE2      GLN  74   2.717  13.782  -9.707
  567   2HE2  GLN  74          1HE2      GLN  74   2.019  15.154  -8.837
  568    H    GLN  75           H        GLN  75   1.983  11.938  -6.634
  569    HA   GLN  75           HA       GLN  75   3.716  10.435  -8.404
  570   1HB   GLN  75          HB2       GLN  75   5.484  11.433  -7.398
  571   2HB   GLN  75          HB3       GLN  75   4.235  12.635  -7.136
  572   1HG   GLN  75          HG2       GLN  75   5.416  10.661  -5.149
  573   2HG   GLN  75          HG3       GLN  75   5.571  12.421  -5.129
  574   1HE2  GLN  75          2HE2      GLN  75   4.436  10.485  -2.977
  575   2HE2  GLN  75          1HE2      GLN  75   2.817  11.134  -2.750
  576    H    VAL  76           H        VAL  76   2.166   9.606  -5.363
  577    HA   VAL  76           HA       VAL  76   3.746   7.157  -5.051
  578    HB   VAL  76           HB       VAL  76   0.831   7.318  -4.191
  579   1HG1  VAL  76          1HG1      VAL  76   1.572   5.790  -2.498
  580   2HG1  VAL  76          2HG1      VAL  76   2.198   5.187  -4.036
  581   3HG1  VAL  76          3HG1      VAL  76   3.287   6.086  -2.957
  582   1HG2  VAL  76          1HG2      VAL  76   3.150   8.431  -2.607
  583   2HG2  VAL  76          2HG2      VAL  76   1.641   9.290  -3.162
  584   3HG2  VAL  76          3HG2      VAL  76   1.566   7.993  -1.953
  585    H    LEU  77           H        LEU  77   0.580   8.001  -6.423
  586    HA   LEU  77           HA       LEU  77  -0.089   5.414  -7.149
  587   1HB   LEU  77          HB2       LEU  77  -1.394   7.794  -7.085
  588   2HB   LEU  77          HB3       LEU  77  -1.254   7.594  -8.826
  589    HG   LEU  77           HG       LEU  77  -2.328   5.462  -6.896
  590   1HD1  LEU  77          1HD1      LEU  77  -3.748   7.504  -6.854
  591   2HD1  LEU  77          2HD1      LEU  77  -3.929   7.381  -8.626
  592   3HD1  LEU  77          3HD1      LEU  77  -4.567   6.111  -7.563
  593   1HD2  LEU  77          1HD2      LEU  77  -1.658   4.437  -8.983
  594   2HD2  LEU  77          2HD2      LEU  77  -3.427   4.566  -8.985
  595   3HD2  LEU  77          3HD2      LEU  77  -2.479   5.722  -9.921
  596    H    ASN  78           H        ASN  78   1.596   7.917  -8.987
  597    HA   ASN  78           HA       ASN  78   1.945   6.646 -11.462
  598   1HB   ASN  78          HB2       ASN  78   2.423   9.002 -11.100
  599   2HB   ASN  78          HB3       ASN  78   3.724   8.606  -9.963
  600   1HD2  ASN  78          2HD2      ASN  78   5.745   8.877 -10.885
  601   2HD2  ASN  78          1HD2      ASN  78   6.059   8.474 -12.575
  602    H    ILE  79           H        ILE  79   3.861   6.188  -8.446
  603    HA   ILE  79           HA       ILE  79   5.710   4.431  -9.929
  604    HB   ILE  79           HB       ILE  79   5.686   4.968  -6.974
  605   1HG1  ILE  79          2HG1      ILE  79   7.673   6.140  -8.951
  606   2HG1  ILE  79          3HG1      ILE  79   6.167   6.992  -8.689
  607   1HG2  ILE  79          1HG2      ILE  79   7.656   3.676  -8.953
  608   2HG2  ILE  79          2HG2      ILE  79   8.115   4.134  -7.309
  609   3HG2  ILE  79          3HG2      ILE  79   6.881   2.881  -7.582
  610   1HD1  ILE  79          1HD1      ILE  79   6.588   7.091  -6.268
  611   2HD1  ILE  79          2HD1      ILE  79   8.153   6.279  -6.512
  612   3HD1  ILE  79          3HD1      ILE  79   7.873   7.889  -7.201
  613    H    LEU  80           H        LEU  80   3.078   4.164  -7.545
  614    HA   LEU  80           HA       LEU  80   2.833   1.496  -6.978
  615   1HB   LEU  80          HB2       LEU  80   0.939   3.749  -7.491
  616   2HB   LEU  80          HB3       LEU  80   0.217   2.163  -7.361
  617    HG   LEU  80           HG       LEU  80   2.068   3.199  -5.183
  618   1HD1  LEU  80          1HD1      LEU  80   0.227   4.803  -5.160
  619   2HD1  LEU  80          2HD1      LEU  80  -0.974   3.513  -5.448
  620   3HD1  LEU  80          3HD1      LEU  80  -0.097   3.622  -3.911
  621   1HD2  LEU  80          1HD2      LEU  80  -0.214   1.201  -5.201
  622   2HD2  LEU  80          2HD2      LEU  80   1.498   0.724  -5.369
  623   3HD2  LEU  80          3HD2      LEU  80   0.933   1.517  -3.878
  624    H    LYS  81           H        LYS  81   1.260   2.917  -9.976
  625    HA   LYS  81           HA       LYS  81   0.640   0.272 -10.844
  626   1HB   LYS  81          HB2       LYS  81  -0.073   1.207 -12.994
  627   2HB   LYS  81          HB3       LYS  81  -0.823   1.882 -11.577
  628   1HG   LYS  81          HG2       LYS  81  -0.422   3.540 -13.333
  629   2HG   LYS  81          HG3       LYS  81   0.300   3.967 -11.796
  630   1HD   LYS  81          HD2       LYS  81   2.496   3.285 -12.570
  631   2HD   LYS  81          HD3       LYS  81   1.847   2.757 -14.144
  632   1HE   LYS  81          HE2       LYS  81   1.324   4.969 -14.822
  633   2HE   LYS  81          HE3       LYS  81   1.340   5.556 -13.158
  634   1HZ   LYS  81          HZ1       LYS  81   3.733   5.134 -13.151
  635   2HZ   LYS  81          HZ2       LYS  81   3.721   4.822 -14.765
  636   3HZ   LYS  81          HZ3       LYS  81   3.318   6.315 -14.128
  637    H    SER  82           H        SER  82   3.710   1.575 -10.868
  638    HA   SER  82           HA       SER  82   4.628  -0.045 -13.192
  639   1HB   SER  82          HB2       SER  82   6.773   0.910 -12.859
  640   2HB   SER  82          HB3       SER  82   5.668   2.271 -12.564
  641    HG   SER  82           HG       SER  82   5.892   1.728 -10.278
  642    H    ASN  83           H        ASN  83   3.862  -0.699 -10.075
  643    HA   ASN  83           HA       ASN  83   5.309  -3.249 -10.330
  644   1HB   ASN  83          HB2       ASN  83   6.029  -3.335  -8.089
  645   2HB   ASN  83          HB3       ASN  83   6.840  -2.099  -9.011
  646   1HD2  ASN  83          2HD2      ASN  83   3.932  -0.571  -8.201
  647   2HD2  ASN  83          1HD2      ASN  83   4.577   0.120  -6.698
  648    HA   PRO  84           HA       PRO  84   0.746  -3.488  -9.719
  649   1HB   PRO  84          HB2       PRO  84   0.680  -5.978 -11.149
  650   2HB   PRO  84          HB3       PRO  84   0.167  -4.341 -11.651
  651   1HG   PRO  84          HG2       PRO  84   2.800  -5.716 -12.121
  652   2HG   PRO  84          HG3       PRO  84   1.896  -4.581 -13.192
  653   1HD   PRO  84          HD2       PRO  84   4.030  -3.699 -11.811
  654   2HD   PRO  84          HD3       PRO  84   2.552  -2.722 -11.931
  655    H    GLN  85           H        GLN  85   3.184  -5.989  -8.844
  656    HA   GLN  85           HA       GLN  85   1.285  -7.432  -7.207
  657   1HB   GLN  85          HB2       GLN  85   2.857  -8.932  -6.870
  658   2HB   GLN  85          HB3       GLN  85   3.691  -8.135  -8.186
  659   1HG   GLN  85          HG2       GLN  85   4.191  -7.732  -5.192
  660   2HG   GLN  85          HG3       GLN  85   5.096  -8.797  -6.254
  661   1HE2  GLN  85          2HE2      GLN  85   6.943  -7.485  -5.264
  662   2HE2  GLN  85          1HE2      GLN  85   7.340  -5.965  -6.030
  663    H    LEU  86           H        LEU  86   3.737  -4.936  -6.497
  664    HA   LEU  86           HA       LEU  86   3.012  -4.553  -3.746
  665   1HB   LEU  86          HB2       LEU  86   5.142  -3.770  -4.700
  666   2HB   LEU  86          HB3       LEU  86   4.261  -2.651  -5.727
  667    HG   LEU  86           HG       LEU  86   5.428  -1.732  -3.723
  668   1HD1  LEU  86          1HD1      LEU  86   2.493  -0.984  -3.607
  669   2HD1  LEU  86          2HD1      LEU  86   3.901  -0.019  -3.199
  670   3HD1  LEU  86          3HD1      LEU  86   3.599  -0.465  -4.896
  671   1HD2  LEU  86          1HD2      LEU  86   4.340  -1.735  -1.545
  672   2HD2  LEU  86          2HD2      LEU  86   3.116  -2.875  -2.107
  673   3HD2  LEU  86          3HD2      LEU  86   4.823  -3.381  -1.998
  674    H    MET  87           H        MET  87   1.809  -3.193  -6.813
  675    HA   MET  87           HA       MET  87   0.044  -1.318  -5.677
  676   1HB   MET  87          HB2       MET  87   0.706  -1.841  -8.205
  677   2HB   MET  87          HB3       MET  87  -0.826  -2.771  -8.169
  678   1HG   MET  87          HG2       MET  87  -1.828  -0.686  -7.058
  679   2HG   MET  87          HG3       MET  87  -0.305   0.113  -7.520
  680   1HE   MET  87          HE1       MET  87  -3.050   1.681  -9.721
  681   2HE   MET  87          HE2       MET  87  -3.149   1.067  -8.042
  682   3HE   MET  87          HE3       MET  87  -1.715   1.965  -8.579
  683    H    ALA  88           H        ALA  88  -0.631  -4.769  -6.488
  684    HA   ALA  88           HA       ALA  88  -3.276  -4.762  -5.389
  685   1HB   ALA  88          HB1       ALA  88  -1.286  -7.081  -5.665
  686   2HB   ALA  88          HB2       ALA  88  -3.045  -7.221  -5.427
  687   3HB   ALA  88          HB3       ALA  88  -2.420  -6.503  -6.913
  688    H    ALA  89           H        ALA  89  -0.094  -5.568  -3.875
  689    HA   ALA  89           HA       ALA  89  -1.116  -6.105  -1.295
  690   1HB   ALA  89          HB1       ALA  89   1.154  -6.688  -2.065
  691   2HB   ALA  89          HB2       ALA  89   1.587  -4.959  -2.043
  692   3HB   ALA  89          HB3       ALA  89   1.174  -5.795  -0.525
  693    H    PHE  90           H        PHE  90  -0.216  -2.976  -2.712
  694    HA   PHE  90           HA       PHE  90  -0.669  -1.232  -0.497
  695   1HB   PHE  90          HB2       PHE  90   0.340  -0.366  -2.480
  696   2HB   PHE  90          HB3       PHE  90  -1.010  -0.813  -3.489
  697    HD1  PHE  90           HD1      PHE  90  -0.075   1.388  -0.666
  698    HD2  PHE  90           HD2      PHE  90  -2.848   0.760  -3.874
  699    HE1  PHE  90           HE1      PHE  90  -0.861   3.717  -0.404
  700    HE2  PHE  90           HE2      PHE  90  -3.805   3.026  -3.455
  701    HZ   PHE  90           HZ       PHE  90  -2.792   4.512  -1.762
  702    H    ILE  91           H        ILE  91  -2.891  -2.158  -3.209
  703    HA   ILE  91           HA       ILE  91  -5.188  -1.053  -2.134
  704    HB   ILE  91           HB       ILE  91  -4.800  -3.402  -4.003
  705   1HG1  ILE  91          2HG1      ILE  91  -5.952  -0.582  -4.382
  706   2HG1  ILE  91          3HG1      ILE  91  -4.261  -0.997  -4.661
  707   1HG2  ILE  91          1HG2      ILE  91  -6.929  -3.879  -2.864
  708   2HG2  ILE  91          2HG2      ILE  91  -7.468  -2.215  -3.126
  709   3HG2  ILE  91          3HG2      ILE  91  -7.237  -3.326  -4.503
  710   1HD1  ILE  91          1HD1      ILE  91  -4.917  -2.564  -6.446
  711   2HD1  ILE  91          2HD1      ILE  91  -6.618  -2.076  -6.225
  712   3HD1  ILE  91          3HD1      ILE  91  -5.422  -0.895  -6.767
  713    H    LYS  92           H        LYS  92  -4.065  -4.422  -1.636
  714    HA   LYS  92           HA       LYS  92  -6.080  -5.264   0.149
  715   1HB   LYS  92          HB2       LYS  92  -4.426  -6.682  -1.115
  716   2HB   LYS  92          HB3       LYS  92  -3.165  -6.149  -0.019
  717   1HG   LYS  92          HG2       LYS  92  -3.921  -8.341   0.601
  718   2HG   LYS  92          HG3       LYS  92  -4.322  -7.205   1.885
  719   1HD   LYS  92          HD2       LYS  92  -6.165  -8.825   1.454
  720   2HD   LYS  92          HD3       LYS  92  -6.678  -7.164   1.217
  721   1HE   LYS  92          HE2       LYS  92  -6.403  -7.451  -1.265
  722   2HE   LYS  92          HE3       LYS  92  -5.884  -9.128  -0.990
  723   1HZ   LYS  92          HZ1       LYS  92  -8.259  -8.968  -1.491
  724   2HZ   LYS  92          HZ2       LYS  92  -8.001  -9.569  -0.003
  725   3HZ   LYS  92          HZ3       LYS  92  -8.497  -8.048  -0.138
  726    H    GLN  93           H        GLN  93  -2.733  -4.183   1.083
  727    HA   GLN  93           HA       GLN  93  -3.399  -4.361   3.845
  728   1HB   GLN  93          HB2       GLN  93  -1.140  -4.736   2.789
  729   2HB   GLN  93          HB3       GLN  93  -0.971  -3.013   2.635
  730   1HG   GLN  93          HG2       GLN  93  -0.175  -4.683   4.749
  731   2HG   GLN  93          HG3       GLN  93  -0.054  -2.958   4.698
  732   1HE2  GLN  93          2HE2      GLN  93  -1.241  -1.775   6.462
  733   2HE2  GLN  93          1HE2      GLN  93  -2.379  -2.695   7.428
  734    H    ARG  94           H        ARG  94  -3.464  -1.564   1.529
  735    HA   ARG  94           HA       ARG  94  -3.916   0.461   3.522
  736   1HB   ARG  94          HB2       ARG  94  -4.880   0.250   0.673
  737   2HB   ARG  94          HB3       ARG  94  -5.156   1.643   1.695
  738   1HG   ARG  94          HG2       ARG  94  -2.393   0.612   0.895
  739   2HG   ARG  94          HG3       ARG  94  -3.278   1.961   0.169
  740   1HD   ARG  94          HD2       ARG  94  -2.185   1.748   3.001
  741   2HD   ARG  94          HD3       ARG  94  -1.519   2.714   1.687
  742    HE   ARG  94           HE       ARG  94  -4.051   3.711   1.895
  743   1HH1  ARG  94          2HH1      ARG  94  -1.257   3.661   3.986
  744   2HH1  ARG  94          1HH1      ARG  94  -2.020   4.721   5.170
  745   1HH2  ARG  94          1HH2      ARG  94  -4.680   5.332   3.268
  746   2HH2  ARG  94          2HH2      ARG  94  -3.786   5.700   4.762
  747    H    THR  95           H        THR  95  -6.145  -1.757   1.756
  748    HA   THR  95           HA       THR  95  -8.549  -0.831   2.977
  749    HB   THR  95           HB       THR  95  -8.236  -3.763   2.258
  750    HG1  THR  95           HG1      THR  95  -7.485  -2.555   0.389
  751   1HG2  THR  95          1HG2      THR  95 -10.564  -3.443   1.574
  752   2HG2  THR  95          2HG2      THR  95 -10.388  -2.789   3.220
  753   3HG2  THR  95          3HG2      THR  95 -10.406  -1.686   1.832
  754    H    ALA  96           H        ALA  96  -6.330  -3.479   3.964
  755    HA   ALA  96           HA       ALA  96  -7.607  -4.205   6.399
  756   1HB   ALA  96          HB1       ALA  96  -5.431  -5.154   6.982
  757   2HB   ALA  96          HB2       ALA  96  -5.876  -5.524   5.306
  758   3HB   ALA  96          HB3       ALA  96  -4.685  -4.242   5.653
  759    H    LYS  97           H        LYS  97  -5.003  -1.792   5.842
  760    HA   LYS  97           HA       LYS  97  -4.763  -0.692   8.395
  761   1HB   LYS  97          HB2       LYS  97  -3.227   0.458   7.300
  762   2HB   LYS  97          HB3       LYS  97  -3.894   0.025   5.752
  763   1HG   LYS  97          HG2       LYS  97  -3.747   2.316   5.652
  764   2HG   LYS  97          HG3       LYS  97  -5.458   2.015   5.885
  765   1HD   LYS  97          HD2       LYS  97  -4.864   2.350   8.452
  766   2HD   LYS  97          HD3       LYS  97  -3.388   3.097   7.798
  767   1HE   LYS  97          HE2       LYS  97  -4.862   4.676   6.488
  768   2HE   LYS  97          HE3       LYS  97  -6.275   3.879   7.203
  769   1HZ   LYS  97          HZ1       LYS  97  -5.337   4.565   9.423
  770   2HZ   LYS  97          HZ2       LYS  97  -4.241   5.439   8.696
  771   3HZ   LYS  97          HZ3       LYS  97  -5.849   5.792   8.537
  772    H    TYR  98           H        TYR  98  -7.120   0.328   5.883
  773    HA   TYR  98           HA       TYR  98  -8.452   2.190   7.543
  774   1HB   TYR  98          HB2       TYR  98  -9.365   0.513   5.195
  775   2HB   TYR  98          HB3       TYR  98 -10.472   1.577   6.048
  776    HD1  TYR  98           HD1      TYR  98  -9.305   4.026   6.573
  777    HD2  TYR  98           HD2      TYR  98  -8.507   1.436   3.243
  778    HE1  TYR  98           HE1      TYR  98  -8.696   5.998   5.210
  779    HE2  TYR  98           HE2      TYR  98  -8.122   3.385   1.783
  780    HH   TYR  98           HH       TYR  98  -8.790   6.725   2.732
  781    H    VAL  99           H        VAL  99  -9.585  -1.233   6.938
  782    HA   VAL  99           HA       VAL  99 -11.745  -0.961   8.728
  783    HB   VAL  99           HB       VAL  99 -11.900  -3.382   8.849
  784   1HG1  VAL  99          1HG1      VAL  99 -12.867  -2.298   6.955
  785   2HG1  VAL  99          2HG1      VAL  99 -11.325  -2.222   6.075
  786   3HG1  VAL  99          3HG1      VAL  99 -12.112  -3.780   6.359
  787   1HG2  VAL  99          1HG2      VAL  99  -9.348  -3.488   7.251
  788   2HG2  VAL  99          2HG2      VAL  99  -9.490  -3.984   8.965
  789   3HG2  VAL  99          3HG2      VAL  99 -10.369  -4.865   7.706
  790    H    ALA 100           H        ALA 100  -8.380  -1.692   9.554
  791    HA   ALA 100           HA       ALA 100  -9.096  -2.061  12.376
  792   1HB   ALA 100          HB1       ALA 100  -6.405  -2.102  10.932
  793   2HB   ALA 100          HB2       ALA 100  -6.685  -2.569  12.626
  794   3HB   ALA 100          HB3       ALA 100  -7.404  -3.524  11.316
  795    H    ASN 101           H        ASN 101  -8.816   0.749  10.712
  796    HA   ASN 101           HA       ASN 101  -7.759   2.213  13.108
  797   1HB   ASN 101          HB2       ASN 101  -5.984   1.505  11.338
  798   2HB   ASN 101          HB3       ASN 101  -6.733   2.689  10.285
  799   1HD2  ASN 101          2HD2      ASN 101  -5.582   2.577  13.721
  800   2HD2  ASN 101          1HD2      ASN 101  -4.699   4.107  13.547
  801    H    GLN 102           H        GLN 102  -9.376   2.491  10.016
  802    HA   GLN 102           HA       GLN 102 -11.182   4.576  10.960
  803   1HB   GLN 102          HB2       GLN 102  -9.421   5.082   8.516
  804   2HB   GLN 102          HB3       GLN 102 -10.977   5.843   8.773
  805   1HG   GLN 102          HG2       GLN 102  -9.704   7.489   9.581
  806   2HG   GLN 102          HG3       GLN 102  -9.938   6.617  11.089
  807   1HE2  GLN 102          2HE2      GLN 102  -8.087   5.787  12.105
  808   2HE2  GLN 102          1HE2      GLN 102  -6.485   5.874  11.393
  809    HA   PRO 103           HA       PRO 103 -12.791   1.053   8.409
  810   1HB   PRO 103          HB2       PRO 103 -14.808   0.192  10.030
  811   2HB   PRO 103          HB3       PRO 103 -13.106  -0.176  10.359
  812   1HG   PRO 103          HG2       PRO 103 -14.748   2.108  11.521
  813   2HG   PRO 103          HG3       PRO 103 -13.774   0.882  12.410
  814   1HD   PRO 103          HD2       PRO 103 -12.786   3.334  11.810
  815   2HD   PRO 103          HD3       PRO 103 -11.736   1.884  11.723
  816    H    GLY 104           H        GLY 104 -15.073   0.636   7.589
  817   1HA   GLY 104          HA2       GLY 104 -16.627   3.170   7.158
  818   2HA   GLY 104          HA3       GLY 104 -16.434   1.923   5.911
  819    H    MET 105           H        MET 105 -18.362   0.804   5.731
  820    HA   MET 105           HA       MET 105 -19.960   0.171   8.149
  821   1HB   MET 105          HB2       MET 105 -21.459  -1.039   6.653
  822   2HB   MET 105          HB3       MET 105 -21.243   0.626   6.157
  823   1HG   MET 105          HG2       MET 105 -20.285   0.080   4.196
  824   2HG   MET 105          HG3       MET 105 -19.373  -1.279   4.866
  825   1HE   MET 105          HE1       MET 105 -21.244  -3.373   6.007
  826   2HE   MET 105          HE2       MET 105 -21.608  -4.310   4.539
  827   3HE   MET 105          HE3       MET 105 -19.968  -3.679   4.801
  828    H    GLN 106           H        GLN 106 -17.094  -0.919   7.035
  829    HA   GLN 106           HA       GLN 106 -17.200  -3.339   8.605
  830   1HB   GLN 106          HB2       GLN 106 -17.528  -3.905   6.080
  831   2HB   GLN 106          HB3       GLN 106 -15.849  -3.404   5.877
  832   1HG   GLN 106          HG2       GLN 106 -16.606  -5.483   7.952
  833   2HG   GLN 106          HG3       GLN 106 -16.563  -5.924   6.258
  834   1HE2  GLN 106          2HE2      GLN 106 -14.308  -4.349   8.682
  835   2HE2  GLN 106          1HE2      GLN 106 -12.956  -5.286   8.062
  Start of MODEL   19
    1   1H    GLU   1          H1        GLU   1  16.109  -6.829  -5.183
    2   2H    GLU   1          H2        GLU   1  15.067  -8.027  -5.570
    3   3H    GLU   1          H3        GLU   1  16.413  -8.379  -4.708
    4    HA   GLU   1           HA       GLU   1  16.192  -7.551  -7.497
    5   1HB   GLU   1          HB2       GLU   1  18.344  -6.887  -5.746
    6   2HB   GLU   1          HB3       GLU   1  18.925  -8.214  -6.730
    7   1HG   GLU   1          HG2       GLU   1  17.861  -5.536  -7.646
    8   2HG   GLU   1          HG3       GLU   1  19.469  -6.211  -7.892
    9    H    GLY   2           H        GLY   2  17.259 -10.179  -5.233
   10   1HA   GLY   2          HA2       GLY   2  18.070 -11.941  -7.387
   11   2HA   GLY   2          HA3       GLY   2  17.996 -12.299  -5.667
   12    H    GLN   3           H        GLN   3  15.113 -11.078  -7.147
   13    HA   GLN   3           HA       GLN   3  13.016 -11.824  -7.436
   14   1HB   GLN   3          HB2       GLN   3  14.253 -14.553  -8.010
   15   2HB   GLN   3          HB3       GLN   3  12.565 -14.108  -8.197
   16   1HG   GLN   3          HG2       GLN   3  13.465 -13.999 -10.344
   17   2HG   GLN   3          HG3       GLN   3  13.183 -12.342  -9.813
   18   1HE2  GLN   3          2HE2      GLN   3  16.095 -14.448  -9.096
   19   2HE2  GLN   3          1HE2      GLN   3  17.143 -13.356 -10.021
   20    H    SER   4           H        SER   4  14.788 -14.214  -5.532
   21    HA   SER   4           HA       SER   4  12.699 -15.117  -3.799
   22   1HB   SER   4          HB2       SER   4  15.701 -14.834  -3.363
   23   2HB   SER   4          HB3       SER   4  14.607 -15.812  -2.352
   24    HG   SER   4           HG       SER   4  14.105 -17.015  -4.251
   25    H    ASP   5           H        ASP   5  14.762 -12.233  -3.595
   26    HA   ASP   5           HA       ASP   5  14.151 -11.686  -0.804
   27   1HB   ASP   5          HB2       ASP   5  15.524  -9.626  -1.286
   28   2HB   ASP   5          HB3       ASP   5  16.351 -11.157  -1.576
   29    H    GLU   6           H        GLU   6  12.920 -10.797  -3.953
   30    HA   GLU   6           HA       GLU   6  11.718  -8.361  -3.507
   31   1HB   GLU   6          HB2       GLU   6  10.500 -10.678  -5.077
   32   2HB   GLU   6          HB3       GLU   6   9.942  -9.018  -5.146
   33   1HG   GLU   6          HG2       GLU   6  12.639 -10.005  -6.113
   34   2HG   GLU   6          HG3       GLU   6  11.245  -9.505  -7.078
   35    H    ARG   7           H        ARG   7  10.468 -11.463  -2.300
   36    HA   ARG   7           HA       ARG   7   7.907 -10.398  -1.518
   37   1HB   ARG   7          HB2       ARG   7   9.073 -12.947  -1.419
   38   2HB   ARG   7          HB3       ARG   7   8.912 -12.540   0.275
   39   1HG   ARG   7          HG2       ARG   7   6.713 -12.606  -1.844
   40   2HG   ARG   7          HG3       ARG   7   6.950 -13.754  -0.546
   41   1HD   ARG   7          HD2       ARG   7   6.158 -10.829  -0.190
   42   2HD   ARG   7          HD3       ARG   7   5.060 -12.208  -0.125
   43    HE   ARG   7           HE       ARG   7   6.629 -11.148   1.991
   44   1HH1  ARG   7          2HH2      ARG   7   5.360 -14.256   0.971
   45   2HH1  ARG   7          1HH2      ARG   7   5.233 -14.791   2.643
   46   1HH2  ARG   7          1HH1      ARG   7   6.444 -11.799   3.838
   47   2HH2  ARG   7          2HH1      ARG   7   5.848 -13.388   4.355
   48    H    ALA   8           H        ALA   8  11.034 -10.409   0.138
   49    HA   ALA   8           HA       ALA   8   9.984  -9.293   2.649
   50   1HB   ALA   8          HB1       ALA   8  12.064 -10.680   2.565
   51   2HB   ALA   8          HB2       ALA   8  12.841  -9.455   1.560
   52   3HB   ALA   8          HB3       ALA   8  12.347  -9.065   3.231
   53    H    LEU   9           H        LEU   9  11.570  -8.042  -0.295
   54    HA   LEU   9           HA       LEU   9  11.622  -5.291   0.536
   55   1HB   LEU   9          HB2       LEU   9  11.422  -6.284  -2.327
   56   2HB   LEU   9          HB3       LEU   9  12.040  -4.728  -1.769
   57    HG   LEU   9           HG       LEU   9  13.326  -7.442  -1.253
   58   1HD1  LEU   9          1HD1      LEU   9  15.118  -6.659  -2.733
   59   2HD1  LEU   9          2HD1      LEU   9  13.545  -6.820  -3.539
   60   3HD1  LEU   9          3HD1      LEU   9  14.150  -5.213  -3.131
   61   1HD2  LEU   9          1HD2      LEU   9  15.266  -6.179  -0.381
   62   2HD2  LEU   9          2HD2      LEU   9  14.336  -4.664  -0.518
   63   3HD2  LEU   9          3HD2      LEU   9  13.835  -5.943   0.616
   64    H    LEU  10           H        LEU  10   9.174  -7.157  -1.253
   65    HA   LEU  10           HA       LEU  10   7.167  -5.199  -1.669
   66   1HB   LEU  10          HB2       LEU  10   7.340  -7.402  -2.790
   67   2HB   LEU  10          HB3       LEU  10   7.151  -8.209  -1.239
   68    HG   LEU  10           HG       LEU  10   4.816  -7.258  -1.086
   69   1HD1  LEU  10          1HD1      LEU  10   5.129  -5.406  -2.715
   70   2HD1  LEU  10          2HD1      LEU  10   5.353  -6.608  -4.010
   71   3HD1  LEU  10          3HD1      LEU  10   3.794  -6.479  -3.161
   72   1HD2  LEU  10          1HD2      LEU  10   5.503  -9.059  -3.440
   73   2HD2  LEU  10          2HD2      LEU  10   5.156  -9.563  -1.760
   74   3HD2  LEU  10          3HD2      LEU  10   3.879  -8.857  -2.743
   75    H    ASP  11           H        ASP  11   7.649  -7.565   1.021
   76    HA   ASP  11           HA       ASP  11   5.491  -6.624   2.619
   77   1HB   ASP  11          HB2       ASP  11   8.071  -8.042   3.355
   78   2HB   ASP  11          HB3       ASP  11   6.913  -7.546   4.577
   79    H    GLN  12           H        GLN  12   8.957  -5.541   2.955
   80    HA   GLN  12           HA       GLN  12   8.132  -3.544   4.828
   81   1HB   GLN  12          HB2       GLN  12  10.341  -2.617   4.686
   82   2HB   GLN  12          HB3       GLN  12  10.396  -4.373   4.771
   83   1HG   GLN  12          HG2       GLN  12  12.059  -3.974   3.267
   84   2HG   GLN  12          HG3       GLN  12  10.707  -4.342   2.207
   85   1HE2  GLN  12          2HE2      GLN  12  10.410  -2.932   0.524
   86   2HE2  GLN  12          1HE2      GLN  12  11.097  -1.297   0.515
   87    H    LEU  13           H        LEU  13   8.119  -3.434   1.285
   88    HA   LEU  13           HA       LEU  13   7.672  -0.586   1.263
   89   1HB   LEU  13          HB2       LEU  13   8.731  -1.939  -0.555
   90   2HB   LEU  13          HB3       LEU  13   7.153  -2.635  -0.915
   91    HG   LEU  13           HG       LEU  13   6.352  -0.414  -1.666
   92   1HD1  LEU  13          1HD1      LEU  13   9.121   0.580  -0.863
   93   2HD1  LEU  13          2HD1      LEU  13   7.938   1.507  -1.795
   94   3HD1  LEU  13          3HD1      LEU  13   7.586   1.083  -0.120
   95   1HD2  LEU  13          1HD2      LEU  13   7.741  -1.905  -3.201
   96   2HD2  LEU  13          2HD2      LEU  13   7.806  -0.182  -3.605
   97   3HD2  LEU  13          3HD2      LEU  13   9.161  -0.949  -2.754
   98    H    HIS  14           H        HIS  14   5.444  -3.438   1.156
   99    HA   HIS  14           HA       HIS  14   3.135  -1.659   0.913
  100   1HB   HIS  14          HB2       HIS  14   1.727  -3.467   0.961
  101   2HB   HIS  14          HB3       HIS  14   3.136  -4.051   0.091
  102    HD2  HIS  14           HD2      HIS  14   3.669  -6.461   0.678
  103    HE1  HIS  14           HE1      HIS  14   2.493  -6.548   4.770
  104    HE2  HIS  14           HE2      HIS  14   3.553  -7.884   2.867
  105    H    THR  15           H        THR  15   4.947  -3.030   3.599
  106    HA   THR  15           HA       THR  15   3.195  -2.077   5.669
  107    HB   THR  15           HB       THR  15   6.196  -2.077   5.995
  108    HG1  THR  15           HG1      THR  15   5.506  -4.190   5.211
  109   1HG2  THR  15          1HG2      THR  15   4.848  -1.159   7.855
  110   2HG2  THR  15          2HG2      THR  15   3.859  -2.635   7.856
  111   3HG2  THR  15          3HG2      THR  15   5.577  -2.709   8.308
  112    H    LEU  16           H        LEU  16   5.968  -0.439   3.981
  113    HA   LEU  16           HA       LEU  16   5.699   2.051   5.299
  114   1HB   LEU  16          HB2       LEU  16   7.585   1.514   3.790
  115   2HB   LEU  16          HB3       LEU  16   6.488   1.363   2.440
  116    HG   LEU  16           HG       LEU  16   5.851   3.892   2.971
  117   1HD1  LEU  16          1HD1      LEU  16   7.204   4.043   5.044
  118   2HD1  LEU  16          2HD1      LEU  16   8.672   3.708   4.079
  119   3HD1  LEU  16          3HD1      LEU  16   7.737   5.195   3.794
  120   1HD2  LEU  16          1HD2      LEU  16   6.816   3.051   0.887
  121   2HD2  LEU  16          2HD2      LEU  16   7.634   4.541   1.383
  122   3HD2  LEU  16          3HD2      LEU  16   8.411   2.964   1.682
  123    H    LEU  17           H        LEU  17   3.937   1.001   2.286
  124    HA   LEU  17           HA       LEU  17   2.259   3.376   2.378
  125   1HB   LEU  17          HB2       LEU  17   1.646   0.696   1.094
  126   2HB   LEU  17          HB3       LEU  17   0.672   2.158   1.052
  127    HG   LEU  17           HG       LEU  17   1.668   2.017  -1.057
  128   1HD1  LEU  17          1HD1      LEU  17   1.723   4.291  -0.032
  129   2HD1  LEU  17          2HD1      LEU  17   3.482   4.000   0.213
  130   3HD1  LEU  17          3HD1      LEU  17   2.797   3.969  -1.412
  131   1HD2  LEU  17          1HD2      LEU  17   4.008   1.822  -1.545
  132   2HD2  LEU  17          2HD2      LEU  17   4.430   1.837   0.176
  133   3HD2  LEU  17          3HD2      LEU  17   3.524   0.458  -0.509
  134    H    SER  18           H        SER  18   2.093   0.449   4.261
  135    HA   SER  18           HA       SER  18  -0.723   0.809   5.039
  136   1HB   SER  18          HB2       SER  18   1.360  -1.209   5.921
  137   2HB   SER  18          HB3       SER  18  -0.333  -1.234   6.379
  138    HG   SER  18           HG       SER  18   0.827  -1.558   3.840
  139    H    ASN  19           H        ASN  19   2.277   1.774   6.317
  140    HA   ASN  19           HA       ASN  19   2.614   1.455   8.815
  141   1HB   ASN  19          HB2       ASN  19   3.965   3.428   8.761
  142   2HB   ASN  19          HB3       ASN  19   3.857   2.859   7.129
  143   1HD2  ASN  19          2HD2      ASN  19   3.030   4.278   5.554
  144   2HD2  ASN  19          1HD2      ASN  19   2.298   5.845   5.984
  145    H    THR  20           H        THR  20  -0.134   3.045   7.935
  146    HA   THR  20           HA       THR  20  -2.060   3.112   9.099
  147    HB   THR  20           HB       THR  20  -2.376   4.072  11.330
  148    HG1  THR  20           HG1      THR  20   0.414   3.875  11.397
  149   1HG2  THR  20          1HG2      THR  20  -1.625   2.095  12.549
  150   2HG2  THR  20          2HG2      THR  20  -2.295   1.629  10.970
  151   3HG2  THR  20          3HG2      THR  20  -0.546   1.630  11.233
  152    H    ASP  21           H        ASP  21   0.201   5.686   8.423
  153    HA   ASP  21           HA       ASP  21  -1.506   7.864   8.664
  154   1HB   ASP  21          HB2       ASP  21   0.856   8.039   8.099
  155   2HB   ASP  21          HB3       ASP  21   0.553   7.360   6.500
  156    H    ALA  22           H        ALA  22  -2.694   8.980   7.303
  157    HA   ALA  22           HA       ALA  22  -4.043   7.818   4.931
  158   1HB   ALA  22          HB1       ALA  22  -6.274   8.274   5.858
  159   2HB   ALA  22          HB2       ALA  22  -5.411   7.039   6.780
  160   3HB   ALA  22          HB3       ALA  22  -5.526   8.683   7.434
  161    H    THR  23           H        THR  23  -2.495  10.478   6.308
  162    HA   THR  23           HA       THR  23  -4.190  12.603   6.011
  163    HB   THR  23           HB       THR  23  -1.163  12.632   5.449
  164    HG1  THR  23           HG1      THR  23  -1.437  11.615   7.359
  165   1HG2  THR  23          1HG2      THR  23  -2.975  14.752   6.667
  166   2HG2  THR  23          2HG2      THR  23  -1.215  14.846   6.494
  167   3HG2  THR  23          3HG2      THR  23  -2.242  14.805   5.039
  168    H    GLY  24           H        GLY  24  -1.867  11.719   3.478
  169   1HA   GLY  24          HA2       GLY  24  -3.746  12.859   1.419
  170   2HA   GLY  24          HA3       GLY  24  -2.015  12.652   1.172
  171    H    LEU  25           H        LEU  25  -2.121   9.961   2.624
  172    HA   LEU  25           HA       LEU  25  -2.578   8.116   0.553
  173   1HB   LEU  25          HB2       LEU  25  -2.491   7.928   3.529
  174   2HB   LEU  25          HB3       LEU  25  -2.935   6.504   2.583
  175    HG   LEU  25           HG       LEU  25  -0.455   7.976   1.748
  176   1HD1  LEU  25          1HD1      LEU  25  -0.283   7.859   4.232
  177   2HD1  LEU  25          2HD1      LEU  25   0.936   6.885   3.404
  178   3HD1  LEU  25          3HD1      LEU  25  -0.471   6.097   4.150
  179   1HD2  LEU  25          1HD2      LEU  25   0.240   5.695   1.172
  180   2HD2  LEU  25          2HD2      LEU  25  -1.107   4.989   2.085
  181   3HD2  LEU  25          3HD2      LEU  25  -1.419   5.914   0.601
  182    H    GLU  26           H        GLU  26  -5.046   9.465   2.790
  183    HA   GLU  26           HA       GLU  26  -7.245   7.878   2.144
  184   1HB   GLU  26          HB2       GLU  26  -7.312   9.553   3.834
  185   2HB   GLU  26          HB3       GLU  26  -6.810  10.832   2.731
  186   1HG   GLU  26          HG2       GLU  26  -9.084  11.119   3.313
  187   2HG   GLU  26          HG3       GLU  26  -8.993  10.708   1.599
  188    H    GLU  27           H        GLU  27  -6.116  10.771   0.285
  189    HA   GLU  27           HA       GLU  27  -7.984  10.649  -1.820
  190   1HB   GLU  27          HB2       GLU  27  -6.441  12.530  -1.225
  191   2HB   GLU  27          HB3       GLU  27  -5.077  11.574  -1.779
  192   1HG   GLU  27          HG2       GLU  27  -6.261  11.540  -4.096
  193   2HG   GLU  27          HG3       GLU  27  -7.278  12.817  -3.416
  194    H    ILE  28           H        ILE  28  -4.813   9.098  -1.482
  195    HA   ILE  28           HA       ILE  28  -4.697   7.866  -4.075
  196    HB   ILE  28           HB       ILE  28  -3.429   6.614  -1.622
  197   1HG1  ILE  28          2HG1      ILE  28  -2.538   9.114  -3.087
  198   2HG1  ILE  28          3HG1      ILE  28  -2.907   8.966  -1.376
  199   1HG2  ILE  28          1HG2      ILE  28  -3.363   5.518  -3.950
  200   2HG2  ILE  28          2HG2      ILE  28  -2.414   6.926  -4.490
  201   3HG2  ILE  28          3HG2      ILE  28  -1.790   5.842  -3.235
  202   1HD1  ILE  28          1HD1      ILE  28  -0.958   7.451  -1.078
  203   2HD1  ILE  28          2HD1      ILE  28  -0.560   7.684  -2.801
  204   3HD1  ILE  28          3HD1      ILE  28  -0.520   9.062  -1.689
  205    H    ASP  29           H        ASP  29  -5.866   6.722  -0.902
  206    HA   ASP  29           HA       ASP  29  -6.601   4.078  -1.659
  207   1HB   ASP  29          HB2       ASP  29  -7.647   5.890   0.549
  208   2HB   ASP  29          HB3       ASP  29  -8.062   4.213   0.401
  209    H    ARG  30           H        ARG  30  -8.549   7.138  -1.532
  210    HA   ARG  30           HA       ARG  30 -10.960   5.968  -2.587
  211   1HB   ARG  30          HB2       ARG  30 -10.253   8.827  -3.257
  212   2HB   ARG  30          HB3       ARG  30 -11.824   8.083  -2.975
  213   1HG   ARG  30          HG2       ARG  30 -10.753   7.779  -0.503
  214   2HG   ARG  30          HG3       ARG  30  -9.801   9.149  -1.115
  215   1HD   ARG  30          HD2       ARG  30 -11.617  10.055   0.110
  216   2HD   ARG  30          HD3       ARG  30 -11.864  10.397  -1.590
  217    HE   ARG  30           HE       ARG  30 -13.808   9.105  -1.540
  218   1HH1  ARG  30          1HH1      ARG  30 -12.031   8.342   1.469
  219   2HH1  ARG  30          2HH1      ARG  30 -13.385   7.472   2.091
  220   1HH2  ARG  30          1HH2      ARG  30 -15.540   7.982  -0.515
  221   2HH2  ARG  30          2HH2      ARG  30 -15.277   7.445   1.122
  222    H    ALA  31           H        ALA  31  -8.240   7.540  -4.210
  223    HA   ALA  31           HA       ALA  31  -9.147   7.351  -6.870
  224   1HB   ALA  31          HB1       ALA  31  -6.803   7.582  -7.521
  225   2HB   ALA  31          HB2       ALA  31  -7.189   8.674  -6.175
  226   3HB   ALA  31          HB3       ALA  31  -6.272   7.180  -5.877
  227    H    LEU  32           H        LEU  32  -8.006   4.725  -4.856
  228    HA   LEU  32           HA       LEU  32  -8.340   2.858  -7.186
  229   1HB   LEU  32          HB2       LEU  32  -6.747   2.356  -4.660
  230   2HB   LEU  32          HB3       LEU  32  -6.952   1.262  -6.023
  231    HG   LEU  32           HG       LEU  32  -5.520   3.958  -6.069
  232   1HD1  LEU  32          1HD1      LEU  32  -4.386   1.141  -6.279
  233   2HD1  LEU  32          2HD1      LEU  32  -3.516   2.678  -6.029
  234   3HD1  LEU  32          3HD1      LEU  32  -4.545   2.013  -4.747
  235   1HD2  LEU  32          1HD2      LEU  32  -6.473   3.375  -8.326
  236   2HD2  LEU  32          2HD2      LEU  32  -4.716   3.274  -8.296
  237   3HD2  LEU  32          3HD2      LEU  32  -5.691   1.784  -8.212
  238    H    GLY  33           H        GLY  33 -10.366   4.073  -5.181
  239   1HA   GLY  33          HA2       GLY  33 -12.438   3.418  -4.469
  240   2HA   GLY  33          HA3       GLY  33 -12.176   1.889  -5.298
  241    H    ILE  34           H        ILE  34  -9.840   2.545  -2.892
  242    HA   ILE  34           HA       ILE  34 -10.315   0.105  -1.570
  243    HB   ILE  34           HB       ILE  34  -8.661   2.431  -0.553
  244   1HG1  ILE  34          2HG1      ILE  34  -8.062   0.059  -2.396
  245   2HG1  ILE  34          3HG1      ILE  34  -8.034   1.771  -2.840
  246   1HG2  ILE  34          1HG2      ILE  34  -7.472   0.783   0.742
  247   2HG2  ILE  34          2HG2      ILE  34  -9.179   0.690   1.174
  248   3HG2  ILE  34          3HG2      ILE  34  -8.470  -0.522   0.073
  249   1HD1  ILE  34          1HD1      ILE  34  -5.784   1.121  -2.640
  250   2HD1  ILE  34          2HD1      ILE  34  -6.142   2.082  -1.180
  251   3HD1  ILE  34          3HD1      ILE  34  -6.094   0.311  -1.091
  252    HA   PRO  35           HA       PRO  35 -12.636   2.257   2.016
  253   1HB   PRO  35          HB2       PRO  35 -13.823   4.623   0.550
  254   2HB   PRO  35          HB3       PRO  35 -13.421   4.444   2.277
  255   1HG   PRO  35          HG2       PRO  35 -11.738   5.805   0.626
  256   2HG   PRO  35          HG3       PRO  35 -11.064   4.619   1.802
  257   1HD   PRO  35          HD2       PRO  35 -11.675   4.181  -1.141
  258   2HD   PRO  35          HD3       PRO  35 -10.165   3.851  -0.243
  259    H    GLU  36           H        GLU  36 -13.735   2.136  -1.353
  260    HA   GLU  36           HA       GLU  36 -16.449   1.340  -0.563
  261   1HB   GLU  36          HB2       GLU  36 -16.212   2.570  -2.659
  262   2HB   GLU  36          HB3       GLU  36 -15.120   1.359  -3.305
  263   1HG   GLU  36          HG2       GLU  36 -17.387   1.161  -4.232
  264   2HG   GLU  36          HG3       GLU  36 -16.856  -0.295  -3.402
  265    H    LEU  37           H        LEU  37 -13.414  -0.212  -1.618
  266    HA   LEU  37           HA       LEU  37 -14.377  -2.930  -1.489
  267   1HB   LEU  37          HB2       LEU  37 -11.601  -1.856  -0.851
  268   2HB   LEU  37          HB3       LEU  37 -11.996  -3.532  -1.107
  269    HG   LEU  37           HG       LEU  37 -12.161  -1.330  -3.201
  270   1HD1  LEU  37          1HD1      LEU  37 -10.286  -3.711  -2.932
  271   2HD1  LEU  37          2HD1      LEU  37 -10.262  -2.484  -4.221
  272   3HD1  LEU  37          3HD1      LEU  37  -9.889  -2.029  -2.544
  273   1HD2  LEU  37          1HD2      LEU  37 -12.550  -3.141  -4.835
  274   2HD2  LEU  37          2HD2      LEU  37 -12.700  -4.318  -3.510
  275   3HD2  LEU  37          3HD2      LEU  37 -13.881  -2.988  -3.691
  276    H    VAL  38           H        VAL  38 -13.286  -0.718   1.044
  277    HA   VAL  38           HA       VAL  38 -13.692  -2.518   3.282
  278    HB   VAL  38           HB       VAL  38 -13.724   0.524   3.205
  279   1HG1  VAL  38          1HG1      VAL  38 -13.805  -1.382   5.551
  280   2HG1  VAL  38          2HG1      VAL  38 -13.306   0.328   5.672
  281   3HG1  VAL  38          3HG1      VAL  38 -14.938  -0.079   5.152
  282   1HG2  VAL  38          1HG2      VAL  38 -11.558  -1.340   4.215
  283   2HG2  VAL  38          2HG2      VAL  38 -11.534  -0.601   2.596
  284   3HG2  VAL  38          3HG2      VAL  38 -11.521   0.444   4.004
  285    H    ASN  39           H        ASN  39 -15.879  -0.013   1.833
  286    HA   ASN  39           HA       ASN  39 -18.154  -0.469   3.438
  287   1HB   ASN  39          HB2       ASN  39 -17.862   1.404   1.881
  288   2HB   ASN  39          HB3       ASN  39 -17.967   0.299   0.505
  289   1HD2  ASN  39          2HD2      ASN  39 -19.772   1.264  -0.442
  290   2HD2  ASN  39          1HD2      ASN  39 -21.350   1.188   0.353
  291    H    GLN  40           H        GLN  40 -17.270  -2.124   0.388
  292    HA   GLN  40           HA       GLN  40 -19.368  -4.074   0.430
  293   1HB   GLN  40          HB2       GLN  40 -16.598  -4.147  -0.840
  294   2HB   GLN  40          HB3       GLN  40 -17.854  -5.355  -1.118
  295   1HG   GLN  40          HG2       GLN  40 -18.021  -2.421  -1.866
  296   2HG   GLN  40          HG3       GLN  40 -17.796  -3.795  -2.962
  297   1HE2  GLN  40          2HE2      GLN  40 -20.064  -1.611  -2.344
  298   2HE2  GLN  40          1HE2      GLN  40 -21.497  -2.656  -2.387
  299    H    GLY  41           H        GLY  41 -16.554  -3.819   2.436
  300   1HA   GLY  41          HA2       GLY  41 -15.920  -5.080   4.239
  301   2HA   GLY  41          HA3       GLY  41 -17.161  -6.272   3.851
  302    H    GLN  42           H        GLN  42 -15.217  -5.709   1.121
  303    HA   GLN  42           HA       GLN  42 -14.406  -8.455   1.212
  304   1HB   GLN  42          HB2       GLN  42 -13.933  -8.345  -0.979
  305   2HB   GLN  42          HB3       GLN  42 -15.151  -7.118  -0.804
  306   1HG   GLN  42          HG2       GLN  42 -13.632  -6.157  -2.261
  307   2HG   GLN  42          HG3       GLN  42 -13.237  -5.405  -0.716
  308   1HE2  GLN  42          2HE2      GLN  42 -12.242  -8.501  -2.495
  309   2HE2  GLN  42          1HE2      GLN  42 -10.564  -8.174  -2.308
  310    H    ALA  43           H        ALA  43 -12.893  -5.948   2.746
  311    HA   ALA  43           HA       ALA  43 -10.129  -6.356   2.526
  312   1HB   ALA  43          HB1       ALA  43 -11.317  -4.686   3.986
  313   2HB   ALA  43          HB2       ALA  43 -11.763  -6.017   5.067
  314   3HB   ALA  43          HB3       ALA  43 -10.042  -5.590   4.825
  315    H    LEU  44           H        LEU  44 -12.586  -8.432   3.933
  316    HA   LEU  44           HA       LEU  44 -10.827 -10.356   5.233
  317   1HB   LEU  44          HB2       LEU  44 -13.744 -10.563   4.380
  318   2HB   LEU  44          HB3       LEU  44 -12.910 -11.631   5.508
  319    HG   LEU  44           HG       LEU  44 -13.466  -8.663   5.991
  320   1HD1  LEU  44          1HD1      LEU  44 -15.065  -9.445   7.646
  321   2HD1  LEU  44          2HD1      LEU  44 -15.485 -10.071   6.050
  322   3HD1  LEU  44          3HD1      LEU  44 -14.714 -11.148   7.238
  323   1HD2  LEU  44          1HD2      LEU  44 -11.423  -9.323   7.187
  324   2HD2  LEU  44          2HD2      LEU  44 -12.747  -9.196   8.340
  325   3HD2  LEU  44          3HD2      LEU  44 -12.218 -10.797   7.803
  326    H    GLU  45           H        GLU  45 -11.668  -9.963   1.871
  327    HA   GLU  45           HA       GLU  45 -11.301 -12.792   1.160
  328   1HB   GLU  45          HB2       GLU  45 -10.971 -10.280  -0.539
  329   2HB   GLU  45          HB3       GLU  45 -10.834 -11.931  -1.088
  330   1HG   GLU  45          HG2       GLU  45 -13.238 -12.310  -0.447
  331   2HG   GLU  45          HG3       GLU  45 -13.380 -10.574  -0.176
  332    HA   PRO  46           HA       PRO  46  -6.730 -12.458   1.054
  333   1HB   PRO  46          HB2       PRO  46  -6.909 -14.496  -1.149
  334   2HB   PRO  46          HB3       PRO  46  -5.933 -14.543   0.347
  335   1HG   PRO  46          HG2       PRO  46  -8.181 -16.074   0.072
  336   2HG   PRO  46          HG3       PRO  46  -7.822 -15.249   1.622
  337   1HD   PRO  46          HD2       PRO  46  -9.711 -14.350  -0.569
  338   2HD   PRO  46          HD3       PRO  46  -9.961 -14.418   1.204
  339    H    LYS  47           H        LYS  47  -8.897 -11.670  -1.407
  340    HA   LYS  47           HA       LYS  47  -6.934 -10.462  -3.276
  341   1HB   LYS  47          HB2       LYS  47  -8.209 -11.511  -5.171
  342   2HB   LYS  47          HB3       LYS  47  -7.377 -12.696  -4.193
  343   1HG   LYS  47          HG2       LYS  47  -9.272 -13.660  -3.389
  344   2HG   LYS  47          HG3       LYS  47 -10.159 -12.162  -3.266
  345   1HD   LYS  47          HD2       LYS  47  -9.684 -13.705  -5.856
  346   2HD   LYS  47          HD3       LYS  47 -11.143 -13.771  -4.861
  347   1HE   LYS  47          HE2       LYS  47 -10.141 -11.412  -6.473
  348   2HE   LYS  47          HE3       LYS  47 -11.626 -12.356  -6.718
  349   1HZ   LYS  47          HZ1       LYS  47 -12.308 -10.401  -5.593
  350   2HZ   LYS  47          HZ2       LYS  47 -12.175 -11.474  -4.355
  351   3HZ   LYS  47          HZ3       LYS  47 -10.993 -10.400  -4.647
  352    HT1  PRO  48           H2       PRO  48  12.574  -4.906 -12.026
  353    HT2  PRO  48           H3       PRO  48  12.327  -4.430 -13.594
  354    HA   PRO  48           HA       PRO  48  10.563  -4.268 -11.297
  355   1HB   PRO  48          HB2       PRO  48   9.636  -2.256 -13.166
  356   2HB   PRO  48          HB3       PRO  48  10.141  -2.132 -11.457
  357   1HG   PRO  48          HG2       PRO  48  11.797  -1.796 -13.959
  358   2HG   PRO  48          HG3       PRO  48  11.890  -0.869 -12.434
  359   1HD   PRO  48          HD2       PRO  48  13.742  -2.719 -12.780
  360   2HD   PRO  48          HD3       PRO  48  12.805  -2.751 -11.254
  361    H    ASN  49           H        ASN  49  10.981  -6.487 -12.425
  362    HA   ASN  49           HA       ASN  49   8.717  -7.254 -13.954
  363   1HB   ASN  49          HB2       ASN  49  10.097  -8.111 -15.983
  364   2HB   ASN  49          HB3       ASN  49   9.637  -6.424 -15.918
  365   1HD2  ASN  49          2HD2      ASN  49  11.298  -5.539 -17.178
  366   2HD2  ASN  49          1HD2      ASN  49  12.999  -5.718 -16.707
  367    H    ARG  50           H        ARG  50  12.017  -8.673 -14.048
  368    HA   ARG  50           HA       ARG  50  11.101 -11.197 -12.866
  369   1HB   ARG  50          HB2       ARG  50  13.453 -11.827 -12.764
  370   2HB   ARG  50          HB3       ARG  50  13.083 -11.151 -14.344
  371   1HG   ARG  50          HG2       ARG  50  14.156  -8.993 -13.641
  372   2HG   ARG  50          HG3       ARG  50  14.540  -9.721 -12.062
  373   1HD   ARG  50          HD2       ARG  50  15.912 -11.434 -13.165
  374   2HD   ARG  50          HD3       ARG  50  15.555 -10.698 -14.728
  375    HE   ARG  50           HE       ARG  50  17.156  -9.080 -14.312
  376   1HH1  ARG  50          1HH2      ARG  50  16.442 -10.429 -11.047
  377   2HH1  ARG  50          2HH2      ARG  50  17.529  -9.226 -10.382
  378   1HH2  ARG  50          2HH1      ARG  50  18.579  -7.689 -13.147
  379   2HH2  ARG  50          1HH1      ARG  50  18.595  -7.981 -11.417
  380    H    SER  51           H        SER  51  12.995  -8.472 -11.683
  381    HA   SER  51           HA       SER  51  12.149  -8.877  -8.882
  382   1HB   SER  51          HB2       SER  51  13.977  -7.074  -8.538
  383   2HB   SER  51          HB3       SER  51  14.513  -8.688  -8.991
  384    HG   SER  51           HG       SER  51  15.516  -7.045 -10.173
  385    H    ILE  52           H        ILE  52  10.369  -7.662  -8.416
  386    HA   ILE  52           HA       ILE  52   9.452  -5.708 -10.452
  387    HB   ILE  52           HB       ILE  52   7.390  -5.652  -8.927
  388   1HG1  ILE  52          2HG1      ILE  52   8.622  -6.972  -7.028
  389   2HG1  ILE  52          3HG1      ILE  52   6.907  -7.152  -7.366
  390   1HG2  ILE  52          1HG2      ILE  52   8.157  -8.048 -10.619
  391   2HG2  ILE  52          2HG2      ILE  52   6.507  -7.666 -10.106
  392   3HG2  ILE  52          3HG2      ILE  52   7.401  -6.530 -11.142
  393   1HD1  ILE  52          1HD1      ILE  52   7.217  -9.214  -8.483
  394   2HD1  ILE  52          2HD1      ILE  52   9.007  -9.085  -8.363
  395   3HD1  ILE  52          3HD1      ILE  52   8.003  -9.266  -6.891
  396    H    SER  53           H        SER  53  10.902  -5.643  -7.282
  397    HA   SER  53           HA       SER  53  10.017  -2.853  -6.881
  398   1HB   SER  53          HB2       SER  53  10.639  -3.186  -4.554
  399   2HB   SER  53          HB3       SER  53   9.621  -4.558  -5.050
  400    HG   SER  53           HG       SER  53  11.542  -5.748  -5.389
  401    HA   PRO  54           HA       PRO  54  14.740  -2.662  -6.205
  402   1HB   PRO  54          HB2       PRO  54  16.275  -2.795  -8.497
  403   2HB   PRO  54          HB3       PRO  54  15.800  -4.233  -7.545
  404   1HG   PRO  54          HG2       PRO  54  14.354  -3.072  -9.942
  405   2HG   PRO  54          HG3       PRO  54  14.970  -4.739  -9.754
  406   1HD   PRO  54          HD2       PRO  54  12.398  -4.131  -9.186
  407   2HD   PRO  54          HD3       PRO  54  13.301  -5.212  -8.060
  408    H    SER  55           H        SER  55  12.884  -1.208  -8.774
  409    HA   SER  55           HA       SER  55  14.317   1.351  -8.537
  410   1HB   SER  55          HB2       SER  55  12.320   2.143  -9.955
  411   2HB   SER  55          HB3       SER  55  13.307   0.880 -10.714
  412    HG   SER  55           HG       SER  55  10.866   0.646 -10.612
  413    H    ALA  56           H        ALA  56  11.058   0.151  -7.843
  414    HA   ALA  56           HA       ALA  56  10.121   2.329  -6.384
  415   1HB   ALA  56          HB1       ALA  56   8.715   0.541  -7.343
  416   2HB   ALA  56          HB2       ALA  56   9.379  -0.635  -6.177
  417   3HB   ALA  56          HB3       ALA  56   8.360   0.691  -5.619
  418    H    LEU  57           H        LEU  57  12.115  -0.334  -5.308
  419    HA   LEU  57           HA       LEU  57  12.116  -0.130  -2.526
  420   1HB   LEU  57          HB2       LEU  57  13.076  -1.962  -3.873
  421   2HB   LEU  57          HB3       LEU  57  14.167  -0.830  -4.676
  422    HG   LEU  57           HG       LEU  57  15.454  -0.583  -2.564
  423   1HD1  LEU  57          1HD1      LEU  57  13.627  -2.857  -1.683
  424   2HD1  LEU  57          2HD1      LEU  57  15.122  -2.342  -0.857
  425   3HD1  LEU  57          3HD1      LEU  57  13.733  -1.245  -0.950
  426   1HD2  LEU  57          1HD2      LEU  57  15.080  -3.328  -3.877
  427   2HD2  LEU  57          2HD2      LEU  57  16.154  -2.040  -4.393
  428   3HD2  LEU  57          3HD2      LEU  57  16.486  -2.883  -2.876
  429    H    GLN  58           H        GLN  58  13.758   1.833  -4.975
  430    HA   GLN  58           HA       GLN  58  15.042   3.544  -2.900
  431   1HB   GLN  58          HB2       GLN  58  15.092   3.615  -5.963
  432   2HB   GLN  58          HB3       GLN  58  15.893   4.783  -4.912
  433   1HG   GLN  58          HG2       GLN  58  16.470   1.784  -4.997
  434   2HG   GLN  58          HG3       GLN  58  17.402   3.025  -5.807
  435   1HE2  GLN  58          2HE2      GLN  58  18.290   4.891  -4.232
  436   2HE2  GLN  58          1HE2      GLN  58  18.873   4.189  -2.705
  437    H    ASP  59           H        ASP  59  12.909   3.901  -5.729
  438    HA   ASP  59           HA       ASP  59  12.204   6.571  -5.001
  439   1HB   ASP  59          HB2       ASP  59  12.332   5.054  -7.367
  440   2HB   ASP  59          HB3       ASP  59  10.616   5.309  -7.164
  441    H    LEU  60           H        LEU  60  10.205   3.577  -4.703
  442    HA   LEU  60           HA       LEU  60   7.778   5.199  -4.330
  443   1HB   LEU  60          HB2       LEU  60   7.753   2.951  -5.394
  444   2HB   LEU  60          HB3       LEU  60   8.211   2.220  -3.863
  445    HG   LEU  60           HG       LEU  60   6.134   2.528  -2.902
  446   1HD1  LEU  60          1HD1      LEU  60   5.410   4.637  -4.963
  447   2HD1  LEU  60          2HD1      LEU  60   4.344   3.956  -3.715
  448   3HD1  LEU  60          3HD1      LEU  60   5.728   4.908  -3.223
  449   1HD2  LEU  60          1HD2      LEU  60   5.989   0.939  -4.741
  450   2HD2  LEU  60          2HD2      LEU  60   4.469   1.858  -4.611
  451   3HD2  LEU  60          3HD2      LEU  60   5.624   2.245  -5.896
  452    H    LEU  61           H        LEU  61  10.212   3.409  -2.571
  453    HA   LEU  61           HA       LEU  61   9.433   3.841   0.089
  454   1HB   LEU  61          HB2       LEU  61  11.443   2.497  -1.046
  455   2HB   LEU  61          HB3       LEU  61  12.349   3.963  -0.698
  456    HG   LEU  61           HG       LEU  61  11.281   3.595   1.754
  457   1HD1  LEU  61          1HD1      LEU  61  11.072   1.202   2.317
  458   2HD1  LEU  61          2HD1      LEU  61   9.899   1.589   1.030
  459   3HD1  LEU  61          3HD1      LEU  61  11.405   0.743   0.645
  460   1HD2  LEU  61          1HD2      LEU  61  13.541   1.855   0.694
  461   2HD2  LEU  61          2HD2      LEU  61  13.714   3.538   1.190
  462   3HD2  LEU  61          3HD2      LEU  61  13.268   2.275   2.384
  463    H    ARG  62           H        ARG  62  11.710   5.989  -1.843
  464    HA   ARG  62           HA       ARG  62  11.839   8.225  -0.210
  465   1HB   ARG  62          HB2       ARG  62  13.183   7.785  -2.212
  466   2HB   ARG  62          HB3       ARG  62  11.748   7.781  -3.228
  467   1HG   ARG  62          HG2       ARG  62  11.459  10.233  -2.400
  468   2HG   ARG  62          HG3       ARG  62  13.143  10.051  -1.900
  469   1HD   ARG  62          HD2       ARG  62  12.991  11.140  -4.111
  470   2HD   ARG  62          HD3       ARG  62  13.794   9.590  -4.249
  471    HE   ARG  62           HE       ARG  62  12.246   9.016  -5.803
  472   1HH1  ARG  62          1HH2      ARG  62  10.462  11.243  -3.742
  473   2HH1  ARG  62          2HH2      ARG  62   8.956  10.850  -4.615
  474   1HH2  ARG  62          2HH1      ARG  62  10.262   8.757  -6.864
  475   2HH2  ARG  62          1HH1      ARG  62   8.891   9.171  -5.887
  476    H    THR  63           H        THR  63   9.435   7.520  -2.704
  477    HA   THR  63           HA       THR  63   7.872   9.835  -2.505
  478    HB   THR  63           HB       THR  63   7.646   7.124  -3.688
  479    HG1  THR  63           HG1      THR  63   6.997   9.706  -4.658
  480   1HG2  THR  63          1HG2      THR  63   5.274   7.435  -2.834
  481   2HG2  THR  63          2HG2      THR  63   5.154   8.635  -4.161
  482   3HG2  THR  63          3HG2      THR  63   5.664   7.007  -4.521
  483    H    LEU  64           H        LEU  64   7.714   7.128  -0.305
  484    HA   LEU  64           HA       LEU  64   5.548   8.653   1.050
  485   1HB   LEU  64          HB2       LEU  64   5.422   5.951   0.296
  486   2HB   LEU  64          HB3       LEU  64   5.875   5.919   1.997
  487    HG   LEU  64           HG       LEU  64   3.944   7.716   2.282
  488   1HD1  LEU  64          1HD1      LEU  64   3.103   6.347  -0.301
  489   2HD1  LEU  64          2HD1      LEU  64   2.091   7.423   0.692
  490   3HD1  LEU  64          3HD1      LEU  64   3.535   8.058  -0.109
  491   1HD2  LEU  64          1HD2      LEU  64   3.864   4.750   2.135
  492   2HD2  LEU  64          2HD2      LEU  64   3.503   5.842   3.467
  493   3HD2  LEU  64          3HD2      LEU  64   2.290   5.553   2.197
  494    H    LYS  65           H        LYS  65   8.817   7.540   1.430
  495    HA   LYS  65           HA       LYS  65   9.083   8.009   4.253
  496   1HB   LYS  65          HB2       LYS  65  10.926   8.102   1.836
  497   2HB   LYS  65          HB3       LYS  65  11.483   8.850   3.319
  498   1HG   LYS  65          HG2       LYS  65  11.085   6.741   4.570
  499   2HG   LYS  65          HG3       LYS  65  10.564   5.948   3.069
  500   1HD   LYS  65          HD2       LYS  65  12.779   6.267   2.081
  501   2HD   LYS  65          HD3       LYS  65  13.295   7.221   3.501
  502   1HE   LYS  65          HE2       LYS  65  12.873   5.250   4.969
  503   2HE   LYS  65          HE3       LYS  65  12.464   4.293   3.556
  504   1HZ   LYS  65          HZ1       LYS  65  15.081   5.589   4.034
  505   2HZ   LYS  65          HZ2       LYS  65  14.777   3.990   4.234
  506   3HZ   LYS  65          HZ3       LYS  65  14.709   4.661   2.733
  507    H    SER  66           H        SER  66   8.853  10.063   1.469
  508    HA   SER  66           HA       SER  66   8.788  12.584   3.044
  509   1HB   SER  66          HB2       SER  66   8.076  13.526   0.803
  510   2HB   SER  66          HB3       SER  66   9.735  12.917   0.897
  511    HG   SER  66           HG       SER  66   9.014  11.018  -0.197
  512    HA   PRO  67           HA       PRO  67   4.891  10.692   3.999
  513   1HB   PRO  67          HB2       PRO  67   3.827  12.386   5.871
  514   2HB   PRO  67          HB3       PRO  67   5.283  11.386   6.175
  515   1HG   PRO  67          HG2       PRO  67   5.181  14.295   5.306
  516   2HG   PRO  67          HG3       PRO  67   6.137  13.571   6.634
  517   1HD   PRO  67          HD2       PRO  67   7.130  14.039   4.133
  518   2HD   PRO  67          HD3       PRO  67   7.713  12.659   5.135
  519    H    SER  68           H        SER  68   2.650  10.796   3.911
  520    HA   SER  68           HA       SER  68   1.871  11.617   1.385
  521   1HB   SER  68          HB2       SER  68  -0.166  10.625   1.780
  522   2HB   SER  68          HB3       SER  68   1.010   9.714   2.748
  523    HG   SER  68           HG       SER  68   0.100  10.470   4.563
  524    H    SER  69           H        SER  69   1.793  13.633   4.118
  525    HA   SER  69           HA       SER  69  -0.458  15.230   3.756
  526   1HB   SER  69          HB2       SER  69   0.839  15.446   5.729
  527   2HB   SER  69          HB3       SER  69   2.289  15.921   4.843
  528    HG   SER  69           HG       SER  69  -0.148  17.402   5.051
  529    HA   PRO  70           HA       PRO  70   1.177  17.887   0.259
  530   1HB   PRO  70          HB2       PRO  70   3.788  18.049  -0.481
  531   2HB   PRO  70          HB3       PRO  70   3.156  18.969   0.914
  532   1HG   PRO  70          HG2       PRO  70   4.600  16.299   0.953
  533   2HG   PRO  70          HG3       PRO  70   4.960  17.763   1.913
  534   1HD   PRO  70          HD2       PRO  70   3.452  15.708   2.898
  535   2HD   PRO  70          HD3       PRO  70   3.079  17.410   3.305
  536    H    GLN  71           H        GLN  71   2.530  14.686   0.697
  537    HA   GLN  71           HA       GLN  71   2.980  14.173  -2.143
  538   1HB   GLN  71          HB2       GLN  71   3.447  12.572   0.410
  539   2HB   GLN  71          HB3       GLN  71   3.699  11.889  -1.173
  540   1HG   GLN  71          HG2       GLN  71   5.024  14.487  -0.268
  541   2HG   GLN  71          HG3       GLN  71   5.732  12.911   0.027
  542   1HE2  GLN  71          1HE2      GLN  71   7.307  12.358  -1.461
  543   2HE2  GLN  71          2HE2      GLN  71   7.053  12.662  -3.192
  544    H    GLN  72           H        GLN  72   0.785  14.775  -2.526
  545    HA   GLN  72           HA       GLN  72  -1.483  13.098  -2.399
  546   1HB   GLN  72          HB2       GLN  72  -0.407  15.045  -4.450
  547   2HB   GLN  72          HB3       GLN  72  -1.950  14.229  -4.667
  548   1HG   GLN  72          HG2       GLN  72  -2.722  15.194  -2.474
  549   2HG   GLN  72          HG3       GLN  72  -1.227  16.146  -2.436
  550   1HE2  GLN  72          1HE2      GLN  72  -4.453  15.912  -3.831
  551   2HE2  GLN  72          2HE2      GLN  72  -4.249  17.333  -4.865
  552    H    GLN  73           H        GLN  73  -2.503  12.075  -4.293
  553    HA   GLN  73           HA       GLN  73  -1.283   9.627  -4.640
  554   1HB   GLN  73          HB2       GLN  73  -3.192   8.902  -5.503
  555   2HB   GLN  73          HB3       GLN  73  -3.781  10.368  -4.765
  556   1HG   GLN  73          HG2       GLN  73  -3.506   9.603  -7.658
  557   2HG   GLN  73          HG3       GLN  73  -4.929  10.174  -6.798
  558   1HE2  GLN  73          2HE2      GLN  73  -3.843  12.727  -5.712
  559   2HE2  GLN  73          1HE2      GLN  73  -3.162  13.548  -7.104
  560    H    GLN  74           H        GLN  74  -1.164  12.227  -7.126
  561    HA   GLN  74           HA       GLN  74  -0.615  10.650  -9.255
  562   1HB   GLN  74          HB2       GLN  74   0.614  12.559 -10.271
  563   2HB   GLN  74          HB3       GLN  74  -0.974  12.951  -9.654
  564   1HG   GLN  74          HG2       GLN  74   1.537  13.574  -8.050
  565   2HG   GLN  74          HG3       GLN  74   0.973  14.615  -9.340
  566   1HE2  GLN  74          2HE2      GLN  74   0.964  16.202  -7.388
  567   2HE2  GLN  74          1HE2      GLN  74  -0.584  16.224  -6.535
  568    H    GLN  75           H        GLN  75   2.020  11.823  -7.139
  569    HA   GLN  75           HA       GLN  75   3.975  10.298  -8.678
  570   1HB   GLN  75          HB2       GLN  75   5.606  11.027  -7.002
  571   2HB   GLN  75          HB3       GLN  75   4.627  12.372  -7.546
  572   1HG   GLN  75          HG2       GLN  75   4.335  12.912  -5.430
  573   2HG   GLN  75          HG3       GLN  75   3.199  11.560  -5.299
  574   1HE2  GLN  75          2HE2      GLN  75   3.522  11.037  -3.187
  575   2HE2  GLN  75          1HE2      GLN  75   5.068  10.502  -2.552
  576    H    VAL  76           H        VAL  76   2.033   9.441  -5.830
  577    HA   VAL  76           HA       VAL  76   3.772   7.134  -5.300
  578    HB   VAL  76           HB       VAL  76   0.870   7.129  -4.471
  579   1HG1  VAL  76          1HG1      VAL  76   3.406   6.137  -3.125
  580   2HG1  VAL  76          2HG1      VAL  76   1.719   5.742  -2.680
  581   3HG1  VAL  76          3HG1      VAL  76   2.407   5.134  -4.195
  582   1HG2  VAL  76          1HG2      VAL  76   3.075   8.613  -3.026
  583   2HG2  VAL  76          2HG2      VAL  76   1.447   9.210  -3.555
  584   3HG2  VAL  76          3HG2      VAL  76   1.598   8.009  -2.253
  585    H    LEU  77           H        LEU  77   0.607   7.700  -6.792
  586    HA   LEU  77           HA       LEU  77   0.097   5.071  -7.456
  587   1HB   LEU  77          HB2       LEU  77  -1.380   7.232  -7.350
  588   2HB   LEU  77          HB3       LEU  77  -1.101   7.307  -9.090
  589    HG   LEU  77           HG       LEU  77  -2.228   4.932  -7.500
  590   1HD1  LEU  77          1HD1      LEU  77  -3.734   6.858  -7.392
  591   2HD1  LEU  77          2HD1      LEU  77  -3.650   7.050  -9.157
  592   3HD1  LEU  77          3HD1      LEU  77  -4.416   5.611  -8.420
  593   1HD2  LEU  77          1HD2      LEU  77  -1.945   5.447 -10.464
  594   2HD2  LEU  77          2HD2      LEU  77  -1.318   4.060  -9.530
  595   3HD2  LEU  77          3HD2      LEU  77  -3.061   4.226  -9.788
  596    H    ASN  78           H        ASN  78   1.762   7.671  -9.281
  597    HA   ASN  78           HA       ASN  78   2.213   6.308 -11.693
  598   1HB   ASN  78          HB2       ASN  78   2.556   8.705 -11.427
  599   2HB   ASN  78          HB3       ASN  78   3.886   8.423 -10.285
  600   1HD2  ASN  78          2HD2      ASN  78   5.918   8.442 -11.188
  601   2HD2  ASN  78          1HD2      ASN  78   6.213   8.166 -12.908
  602    H    ILE  79           H        ILE  79   4.054   5.986  -8.636
  603    HA   ILE  79           HA       ILE  79   6.035   4.248 -10.028
  604    HB   ILE  79           HB       ILE  79   5.945   5.097  -7.139
  605   1HG1  ILE  79          2HG1      ILE  79   7.968   6.135  -9.149
  606   2HG1  ILE  79          3HG1      ILE  79   6.389   6.904  -9.077
  607   1HG2  ILE  79          1HG2      ILE  79   7.247   2.984  -7.552
  608   2HG2  ILE  79          2HG2      ILE  79   8.139   3.785  -8.838
  609   3HG2  ILE  79          3HG2      ILE  79   8.318   4.324  -7.151
  610   1HD1  ILE  79          1HD1      ILE  79   6.694   7.312  -6.655
  611   2HD1  ILE  79          2HD1      ILE  79   8.369   6.685  -6.774
  612   3HD1  ILE  79          3HD1      ILE  79   7.866   8.141  -7.666
  613    H    LEU  80           H        LEU  80   3.448   4.035  -7.639
  614    HA   LEU  80           HA       LEU  80   3.328   1.430  -6.771
  615   1HB   LEU  80          HB2       LEU  80   1.391   3.556  -7.528
  616   2HB   LEU  80          HB3       LEU  80   0.688   1.965  -7.422
  617    HG   LEU  80           HG       LEU  80   2.318   3.066  -5.116
  618   1HD1  LEU  80          1HD1      LEU  80   0.487   4.682  -5.377
  619   2HD1  LEU  80          2HD1      LEU  80  -0.690   3.378  -5.644
  620   3HD1  LEU  80          3HD1      LEU  80   0.077   3.593  -4.058
  621   1HD2  LEU  80          1HD2      LEU  80  -0.003   1.097  -5.311
  622   2HD2  LEU  80          2HD2      LEU  80   1.703   0.602  -5.294
  623   3HD2  LEU  80          3HD2      LEU  80   0.992   1.444  -3.883
  624    H    LYS  81           H        LYS  81   2.056   2.596  -9.941
  625    HA   LYS  81           HA       LYS  81   1.041   0.131 -10.795
  626   1HB   LYS  81          HB2       LYS  81   0.833   1.145 -12.938
  627   2HB   LYS  81          HB3       LYS  81   0.681   2.456 -11.767
  628   1HG   LYS  81          HG2       LYS  81   3.270   2.772 -12.149
  629   2HG   LYS  81          HG3       LYS  81   3.010   1.805 -13.593
  630   1HD   LYS  81          HD2       LYS  81   1.189   3.453 -14.262
  631   2HD   LYS  81          HD3       LYS  81   1.743   4.463 -12.896
  632   1HE   LYS  81          HE2       LYS  81   4.104   4.253 -13.864
  633   2HE   LYS  81          HE3       LYS  81   3.361   3.567 -15.307
  634   1HZ   LYS  81          HZ1       LYS  81   3.625   5.852 -15.705
  635   2HZ   LYS  81          HZ2       LYS  81   2.022   5.723 -15.351
  636   3HZ   LYS  81          HZ3       LYS  81   3.106   6.303 -14.254
  637    H    SER  82           H        SER  82   4.365   1.070 -10.657
  638    HA   SER  82           HA       SER  82   5.255  -0.751 -12.781
  639   1HB   SER  82          HB2       SER  82   7.456   0.174 -12.409
  640   2HB   SER  82          HB3       SER  82   6.316   1.538 -12.298
  641    HG   SER  82           HG       SER  82   6.447   1.329 -10.016
  642    H    ASN  83           H        ASN  83   4.628  -1.200  -9.507
  643    HA   ASN  83           HA       ASN  83   6.012  -3.830  -9.687
  644   1HB   ASN  83          HB2       ASN  83   7.179  -2.539  -8.007
  645   2HB   ASN  83          HB3       ASN  83   5.647  -2.220  -7.177
  646   1HD2  ASN  83          1HD2      ASN  83   8.176  -3.803  -6.520
  647   2HD2  ASN  83          2HD2      ASN  83   7.515  -5.367  -5.968
  648    HA   PRO  84           HA       PRO  84   1.481  -4.111  -9.874
  649   1HB   PRO  84          HB2       PRO  84   1.276  -6.565 -11.021
  650   2HB   PRO  84          HB3       PRO  84   1.869  -5.113 -11.902
  651   1HG   PRO  84          HG2       PRO  84   3.515  -7.373 -10.816
  652   2HG   PRO  84          HG3       PRO  84   3.702  -6.414 -12.335
  653   1HD   PRO  84          HD2       PRO  84   5.011  -6.020  -9.855
  654   2HD   PRO  84          HD3       PRO  84   4.989  -4.859 -11.203
  655    H    GLN  85           H        GLN  85   3.577  -6.468  -8.329
  656    HA   GLN  85           HA       GLN  85   1.560  -7.757  -6.708
  657   1HB   GLN  85          HB2       GLN  85   4.538  -7.487  -6.108
  658   2HB   GLN  85          HB3       GLN  85   3.425  -8.689  -5.471
  659   1HG   GLN  85          HG2       GLN  85   4.526  -8.438  -8.306
  660   2HG   GLN  85          HG3       GLN  85   4.817  -9.730  -7.144
  661   1HE2  GLN  85          2HE2      GLN  85   2.692 -11.006  -6.439
  662   2HE2  GLN  85          1HE2      GLN  85   1.585 -11.227  -7.820
  663    H    LEU  86           H        LEU  86   3.887  -5.085  -6.151
  664    HA   LEU  86           HA       LEU  86   3.023  -4.406  -3.502
  665   1HB   LEU  86          HB2       LEU  86   5.166  -3.734  -4.589
  666   2HB   LEU  86          HB3       LEU  86   4.251  -2.624  -5.596
  667    HG   LEU  86           HG       LEU  86   5.542  -1.746  -3.603
  668   1HD1  LEU  86          1HD1      LEU  86   2.646  -0.856  -3.615
  669   2HD1  LEU  86          2HD1      LEU  86   4.097   0.067  -3.187
  670   3HD1  LEU  86          3HD1      LEU  86   3.836  -0.434  -4.871
  671   1HD2  LEU  86          1HD2      LEU  86   4.763  -3.321  -1.862
  672   2HD2  LEU  86          2HD2      LEU  86   4.443  -1.628  -1.424
  673   3HD2  LEU  86          3HD2      LEU  86   3.113  -2.627  -1.986
  674    H    MET  87           H        MET  87   1.946  -3.301  -6.754
  675    HA   MET  87           HA       MET  87   0.041  -1.419  -5.832
  676   1HB   MET  87          HB2       MET  87   0.836  -2.435  -8.321
  677   2HB   MET  87          HB3       MET  87  -0.872  -2.880  -8.219
  678   1HG   MET  87          HG2       MET  87   0.190  -0.107  -7.576
  679   2HG   MET  87          HG3       MET  87  -0.313  -0.558  -9.207
  680   1HE   MET  87          HE1       MET  87  -3.158   1.794  -8.222
  681   2HE   MET  87          HE2       MET  87  -1.598   1.971  -7.385
  682   3HE   MET  87          HE3       MET  87  -1.649   1.570  -9.133
  683    H    ALA  88           H        ALA  88  -0.524  -4.914  -6.599
  684    HA   ALA  88           HA       ALA  88  -3.178  -4.951  -5.609
  685   1HB   ALA  88          HB1       ALA  88  -2.225  -6.675  -7.079
  686   2HB   ALA  88          HB2       ALA  88  -1.085  -7.184  -5.815
  687   3HB   ALA  88          HB3       ALA  88  -2.817  -7.431  -5.581
  688    H    ALA  89           H        ALA  89  -0.087  -5.683  -3.901
  689    HA   ALA  89           HA       ALA  89  -1.235  -6.221  -1.362
  690   1HB   ALA  89          HB1       ALA  89   1.507  -5.051  -1.968
  691   2HB   ALA  89          HB2       ALA  89   1.024  -5.895  -0.488
  692   3HB   ALA  89          HB3       ALA  89   1.098  -6.782  -2.012
  693    H    PHE  90           H        PHE  90  -0.200  -3.050  -2.746
  694    HA   PHE  90           HA       PHE  90  -0.821  -1.438  -0.513
  695   1HB   PHE  90          HB2       PHE  90   0.345  -0.525  -2.444
  696   2HB   PHE  90          HB3       PHE  90  -1.002  -0.851  -3.510
  697    HD1  PHE  90           HD1      PHE  90  -0.294   1.008  -0.325
  698    HD2  PHE  90           HD2      PHE  90  -2.422   1.010  -4.078
  699    HE1  PHE  90           HE1      PHE  90  -1.050   3.305   0.119
  700    HE2  PHE  90           HE2      PHE  90  -3.289   3.298  -3.534
  701    HZ   PHE  90           HZ       PHE  90  -2.628   4.414  -1.454
  702    H    ILE  91           H        ILE  91  -2.893  -2.300  -3.331
  703    HA   ILE  91           HA       ILE  91  -5.248  -1.166  -2.311
  704    HB   ILE  91           HB       ILE  91  -4.857  -3.513  -4.196
  705   1HG1  ILE  91          2HG1      ILE  91  -5.716  -0.631  -4.697
  706   2HG1  ILE  91          3HG1      ILE  91  -4.062  -1.214  -4.892
  707   1HG2  ILE  91          1HG2      ILE  91  -7.466  -2.046  -3.550
  708   2HG2  ILE  91          2HG2      ILE  91  -7.248  -3.263  -4.830
  709   3HG2  ILE  91          3HG2      ILE  91  -7.126  -3.737  -3.155
  710   1HD1  ILE  91          1HD1      ILE  91  -5.078  -1.119  -7.068
  711   2HD1  ILE  91          2HD1      ILE  91  -4.896  -2.830  -6.645
  712   3HD1  ILE  91          3HD1      ILE  91  -6.490  -2.022  -6.533
  713    H    LYS  92           H        LYS  92  -4.292  -4.631  -1.994
  714    HA   LYS  92           HA       LYS  92  -6.475  -5.323  -0.352
  715   1HB   LYS  92          HB2       LYS  92  -5.087  -6.950  -1.616
  716   2HB   LYS  92          HB3       LYS  92  -3.718  -6.594  -0.581
  717   1HG   LYS  92          HG2       LYS  92  -4.476  -8.603   0.242
  718   2HG   LYS  92          HG3       LYS  92  -5.120  -7.447   1.400
  719   1HD   LYS  92          HD2       LYS  92  -6.696  -8.633  -0.923
  720   2HD   LYS  92          HD3       LYS  92  -6.648  -9.339   0.680
  721   1HE   LYS  92          HE2       LYS  92  -7.681  -7.303   1.645
  722   2HE   LYS  92          HE3       LYS  92  -7.753  -6.569   0.027
  723   1HZ   LYS  92          HZ1       LYS  92  -9.048  -8.468  -0.682
  724   2HZ   LYS  92          HZ2       LYS  92  -9.137  -9.042   0.824
  725   3HZ   LYS  92          HZ3       LYS  92  -9.865  -7.608   0.389
  726    H    GLN  93           H        GLN  93  -3.102  -4.526   0.690
  727    HA   GLN  93           HA       GLN  93  -3.804  -4.928   3.442
  728   1HB   GLN  93          HB2       GLN  93  -1.420  -4.935   2.196
  729   2HB   GLN  93          HB3       GLN  93  -1.403  -3.276   2.802
  730   1HG   GLN  93          HG2       GLN  93  -1.596  -5.937   4.279
  731   2HG   GLN  93          HG3       GLN  93  -0.313  -4.745   4.401
  732   1HE2  GLN  93          2HE2      GLN  93  -1.275  -2.482   5.281
  733   2HE2  GLN  93          1HE2      GLN  93  -2.386  -2.696   6.668
  734    H    ARG  94           H        ARG  94  -3.678  -1.857   1.379
  735    HA   ARG  94           HA       ARG  94  -4.251  -0.104   3.591
  736   1HB   ARG  94          HB2       ARG  94  -5.077   0.028   0.692
  737   2HB   ARG  94          HB3       ARG  94  -5.396   1.300   1.878
  738   1HG   ARG  94          HG2       ARG  94  -2.608   0.361   1.088
  739   2HG   ARG  94          HG3       ARG  94  -3.457   1.749   0.420
  740   1HD   ARG  94          HD2       ARG  94  -2.564   1.350   3.305
  741   2HD   ARG  94          HD3       ARG  94  -1.784   2.354   2.075
  742    HE   ARG  94           HE       ARG  94  -4.360   3.330   2.197
  743   1HH1  ARG  94          2HH1      ARG  94  -1.452   3.371   4.208
  744   2HH1  ARG  94          1HH1      ARG  94  -2.145   4.623   5.243
  745   1HH2  ARG  94          2HH2      ARG  94  -4.970   4.991   3.513
  746   2HH2  ARG  94          1HH2      ARG  94  -3.936   5.555   4.847
  747    H    THR  95           H        THR  95  -6.392  -2.084   1.514
  748    HA   THR  95           HA       THR  95  -8.844  -1.326   2.716
  749    HB   THR  95           HB       THR  95  -8.520  -4.211   1.884
  750    HG1  THR  95           HG1      THR  95  -7.559  -2.862   0.135
  751   1HG2  THR  95          1HG2      THR  95 -10.588  -2.072   1.241
  752   2HG2  THR  95          2HG2      THR  95 -10.796  -3.832   1.083
  753   3HG2  THR  95          3HG2      THR  95 -10.696  -3.077   2.697
  754    H    ALA  96           H        ALA  96  -6.655  -3.996   3.685
  755    HA   ALA  96           HA       ALA  96  -8.076  -4.756   6.048
  756   1HB   ALA  96          HB1       ALA  96  -6.440  -6.175   5.002
  757   2HB   ALA  96          HB2       ALA  96  -5.143  -5.007   5.329
  758   3HB   ALA  96          HB3       ALA  96  -5.946  -5.836   6.670
  759    H    LYS  97           H        LYS  97  -5.405  -2.414   5.628
  760    HA   LYS  97           HA       LYS  97  -5.084  -1.523   8.284
  761   1HB   LYS  97          HB2       LYS  97  -3.534  -0.258   7.376
  762   2HB   LYS  97          HB3       LYS  97  -4.008  -0.800   5.812
  763   1HG   LYS  97          HG2       LYS  97  -3.975   1.489   5.519
  764   2HG   LYS  97          HG3       LYS  97  -5.690   1.248   5.828
  765   1HD   LYS  97          HD2       LYS  97  -5.060   1.682   8.340
  766   2HD   LYS  97          HD3       LYS  97  -3.545   2.322   7.673
  767   1HE   LYS  97          HE2       LYS  97  -4.899   3.929   6.289
  768   2HE   LYS  97          HE3       LYS  97  -6.367   3.251   6.983
  769   1HZ   LYS  97          HZ1       LYS  97  -5.835   5.176   8.255
  770   2HZ   LYS  97          HZ2       LYS  97  -5.432   3.936   9.200
  771   3HZ   LYS  97          HZ3       LYS  97  -4.271   4.769   8.444
  772    H    TYR  98           H        TYR  98  -7.467  -0.377   5.889
  773    HA   TYR  98           HA       TYR  98  -8.741   1.460   7.653
  774   1HB   TYR  98          HB2       TYR  98  -9.694  -0.134   5.284
  775   2HB   TYR  98          HB3       TYR  98 -10.840   0.840   6.219
  776    HD1  TYR  98           HD1      TYR  98  -9.967   3.288   6.790
  777    HD2  TYR  98           HD2      TYR  98  -8.732   0.895   3.435
  778    HE1  TYR  98           HE1      TYR  98  -9.125   5.340   5.617
  779    HE2  TYR  98           HE2      TYR  98  -8.185   2.890   2.156
  780    HH   TYR  98           HH       TYR  98  -7.373   5.285   2.785
  781    H    VAL  99           H        VAL  99  -9.846  -1.971   7.003
  782    HA   VAL  99           HA       VAL  99 -11.766  -1.749   9.123
  783    HB   VAL  99           HB       VAL  99 -12.080  -4.151   8.980
  784   1HG1  VAL  99          1HG1      VAL  99 -12.894  -4.176   6.648
  785   2HG1  VAL  99          2HG1      VAL  99 -13.221  -2.611   7.413
  786   3HG1  VAL  99          3HG1      VAL  99 -11.887  -2.771   6.261
  787   1HG2  VAL  99          1HG2      VAL  99 -10.902  -5.524   7.384
  788   2HG2  VAL  99          2HG2      VAL  99  -9.891  -4.153   6.878
  789   3HG2  VAL  99          3HG2      VAL  99  -9.704  -4.845   8.502
  790    H    ALA 100           H        ALA 100  -8.352  -2.440   9.361
  791    HA   ALA 100           HA       ALA 100  -8.587  -3.307  12.152
  792   1HB   ALA 100          HB1       ALA 100  -6.145  -3.449  12.031
  793   2HB   ALA 100          HB2       ALA 100  -6.888  -4.249  10.634
  794   3HB   ALA 100          HB3       ALA 100  -6.156  -2.638  10.446
  795    H    ASN 101           H        ASN 101  -7.871  -0.181  10.591
  796    HA   ASN 101           HA       ASN 101  -7.446   1.030  13.306
  797   1HB   ASN 101          HB2       ASN 101  -5.286   0.751  12.536
  798   2HB   ASN 101          HB3       ASN 101  -5.717   0.978  10.854
  799   1HD2  ASN 101          2HD2      ASN 101  -5.024   2.769  13.902
  800   2HD2  ASN 101          1HD2      ASN 101  -4.701   4.251  12.984
  801    H    GLN 102           H        GLN 102  -9.211   1.382  10.387
  802    HA   GLN 102           HA       GLN 102 -10.491   3.765  11.475
  803   1HB   GLN 102          HB2       GLN 102  -9.129   3.778   8.762
  804   2HB   GLN 102          HB3       GLN 102 -10.523   4.805   9.106
  805   1HG   GLN 102          HG2       GLN 102  -9.340   5.986  10.853
  806   2HG   GLN 102          HG3       GLN 102  -7.909   4.943  10.616
  807   1HE2  GLN 102          2HE2      GLN 102 -10.105   7.191   8.684
  808   2HE2  GLN 102          1HE2      GLN 102  -8.752   7.677   7.664
  809    HA   PRO 103           HA       PRO 103 -13.073   0.512   9.335
  810   1HB   PRO 103          HB2       PRO 103 -14.430  -0.597  11.332
  811   2HB   PRO 103          HB3       PRO 103 -12.698  -1.003  11.082
  812   1HG   PRO 103          HG2       PRO 103 -13.864   1.037  13.029
  813   2HG   PRO 103          HG3       PRO 103 -12.661  -0.253  13.371
  814   1HD   PRO 103          HD2       PRO 103 -11.910   2.324  12.819
  815   2HD   PRO 103          HD3       PRO 103 -10.943   0.922  12.286
  816    H    GLY 104           H        GLY 104 -13.812   3.318  11.034
  817   1HA   GLY 104          HA2       GLY 104 -16.723   3.378  10.718
  818   2HA   GLY 104          HA3       GLY 104 -15.633   4.762  11.000
  819    H    MET 105           H        MET 105 -16.463   2.355   8.611
  820    HA   MET 105           HA       MET 105 -15.171   2.982   6.456
  821   1HB   MET 105          HB2       MET 105 -17.064   2.080   5.031
  822   2HB   MET 105          HB3       MET 105 -16.465   1.099   6.379
  823   1HG   MET 105          HG2       MET 105 -18.395   1.649   7.739
  824   2HG   MET 105          HG3       MET 105 -18.969   2.811   6.533
  825   1HE   MET 105          HE1       MET 105 -17.490  -0.825   5.645
  826   2HE   MET 105          HE2       MET 105 -18.293  -1.037   7.230
  827   3HE   MET 105          HE3       MET 105 -18.975  -1.773   5.752
  828    H    GLN 106           H        GLN 106 -14.704   4.799   5.379
  829    HA   GLN 106           HA       GLN 106 -16.756   6.911   4.854
  830   1HB   GLN 106          HB2       GLN 106 -15.722   7.578   6.837
  831   2HB   GLN 106          HB3       GLN 106 -14.153   6.983   6.381
  832   1HG   GLN 106          HG2       GLN 106 -15.096   9.172   4.594
  833   2HG   GLN 106          HG3       GLN 106 -15.038   9.620   6.288
  834   1HE2  GLN 106          2HE2      GLN 106 -12.872   7.538   4.277
  835   2HE2  GLN 106          1HE2      GLN 106 -11.416   8.459   4.622
  Start of MODEL   20
    1   1H    GLU   1          H1        GLU   1  19.676 -10.868  -4.695
    2   2H    GLU   1          H2        GLU   1  18.573  -9.799  -5.322
    3   3H    GLU   1          H3        GLU   1  18.205 -11.366  -5.254
    4    HA   GLU   1           HA       GLU   1  20.346 -10.343  -6.951
    5   1HB   GLU   1          HB2       GLU   1  20.053 -12.770  -7.924
    6   2HB   GLU   1          HB3       GLU   1  21.015 -12.466  -6.509
    7   1HG   GLU   1          HG2       GLU   1  19.647 -14.513  -6.351
    8   2HG   GLU   1          HG3       GLU   1  19.399 -13.385  -5.034
    9    H    GLY   2           H        GLY   2  17.191  -9.576  -6.660
   10   1HA   GLY   2          HA2       GLY   2  16.058  -8.495  -8.365
   11   2HA   GLY   2          HA3       GLY   2  16.916  -9.422  -9.593
   12    H    GLN   3           H        GLN   3  15.816 -11.454  -7.102
   13    HA   GLN   3           HA       GLN   3  13.166 -12.014  -8.290
   14   1HB   GLN   3          HB2       GLN   3  14.800 -14.459  -7.727
   15   2HB   GLN   3          HB3       GLN   3  13.659 -14.160  -8.988
   16   1HG   GLN   3          HG2       GLN   3  15.370 -12.973 -10.314
   17   2HG   GLN   3          HG3       GLN   3  16.534 -13.129  -8.982
   18   1HE2  GLN   3          1HE2      GLN   3  16.976 -15.382  -8.167
   19   2HE2  GLN   3          2HE2      GLN   3  17.055 -16.625  -9.429
   20    H    SER   4           H        SER   4  15.467 -13.349  -5.937
   21    HA   SER   4           HA       SER   4  13.478 -14.367  -4.133
   22   1HB   SER   4          HB2       SER   4  16.478 -13.891  -3.786
   23   2HB   SER   4          HB3       SER   4  15.467 -14.960  -2.802
   24    HG   SER   4           HG       SER   4  16.342 -15.268  -5.470
   25    H    ASP   5           H        ASP   5  14.898 -11.239  -4.542
   26    HA   ASP   5           HA       ASP   5  14.505 -10.349  -1.774
   27   1HB   ASP   5          HB2       ASP   5  15.013  -8.063  -2.953
   28   2HB   ASP   5          HB3       ASP   5  16.296  -9.224  -2.650
   29    H    GLU   6           H        GLU   6  12.422 -10.911  -4.468
   30    HA   GLU   6           HA       GLU   6  10.743  -8.662  -4.382
   31   1HB   GLU   6          HB2       GLU   6  10.513 -10.480  -6.091
   32   2HB   GLU   6          HB3       GLU   6   9.996 -11.574  -4.817
   33   1HG   GLU   6          HG2       GLU   6   8.180 -10.777  -6.227
   34   2HG   GLU   6          HG3       GLU   6   7.917 -10.406  -4.524
   35    H    ARG   7           H        ARG   7  10.217 -11.680  -2.496
   36    HA   ARG   7           HA       ARG   7   7.855 -10.468  -1.388
   37   1HB   ARG   7          HB2       ARG   7   8.988 -13.088  -1.249
   38   2HB   ARG   7          HB3       ARG   7   8.754 -12.555   0.416
   39   1HG   ARG   7          HG2       ARG   7   6.675 -12.596  -1.812
   40   2HG   ARG   7          HG3       ARG   7   6.816 -13.754  -0.512
   41   1HD   ARG   7          HD2       ARG   7   6.075 -10.797  -0.227
   42   2HD   ARG   7          HD3       ARG   7   4.970 -12.145  -0.104
   43    HE   ARG   7           HE       ARG   7   6.343 -10.960   1.964
   44   1HH1  ARG   7          2HH2      ARG   7   5.654 -14.244   1.085
   45   2HH1  ARG   7          1HH2      ARG   7   5.978 -14.851   2.712
   46   1HH2  ARG   7          2HH1      ARG   7   6.885 -11.704   3.836
   47   2HH2  ARG   7          1HH1      ARG   7   6.621 -13.362   4.358
   48    H    ALA   8           H        ALA   8  11.125 -10.644  -0.070
   49    HA   ALA   8           HA       ALA   8  10.481  -9.285   2.414
   50   1HB   ALA   8          HB1       ALA   8  12.917  -8.979   2.553
   51   2HB   ALA   8          HB2       ALA   8  12.534 -10.648   2.106
   52   3HB   ALA   8          HB3       ALA   8  13.107  -9.516   0.865
   53    H    LEU   9           H        LEU   9  11.478  -7.972  -0.896
   54    HA   LEU   9           HA       LEU   9  11.541  -5.364   0.343
   55   1HB   LEU   9          HB2       LEU   9  12.761  -4.721  -1.203
   56   2HB   LEU   9          HB3       LEU   9  12.826  -6.320  -1.810
   57    HG   LEU   9           HG       LEU   9  12.553  -4.589  -3.504
   58   1HD1  LEU   9          1HD1      LEU   9  11.826  -6.875  -3.898
   59   2HD1  LEU   9          2HD1      LEU   9  10.146  -6.426  -3.534
   60   3HD1  LEU   9          3HD1      LEU   9  11.016  -5.698  -4.919
   61   1HD2  LEU   9          1HD2      LEU   9  10.983  -3.163  -2.027
   62   2HD2  LEU   9          2HD2      LEU   9  10.813  -3.126  -3.790
   63   3HD2  LEU   9          3HD2      LEU   9   9.672  -4.069  -2.793
   64    H    LEU  10           H        LEU  10   9.143  -7.195  -1.490
   65    HA   LEU  10           HA       LEU  10   7.067  -5.282  -1.785
   66   1HB   LEU  10          HB2       LEU  10   7.134  -7.425  -2.933
   67   2HB   LEU  10          HB3       LEU  10   7.160  -8.286  -1.392
   68    HG   LEU  10           HG       LEU  10   4.906  -7.747  -0.887
   69   1HD1  LEU  10          1HD1      LEU  10   3.469  -6.603  -2.555
   70   2HD1  LEU  10          2HD1      LEU  10   4.713  -5.510  -1.912
   71   3HD1  LEU  10          3HD1      LEU  10   4.916  -6.234  -3.531
   72   1HD2  LEU  10          1HD2      LEU  10   5.244  -8.687  -3.777
   73   2HD2  LEU  10          2HD2      LEU  10   5.404  -9.708  -2.347
   74   3HD2  LEU  10          3HD2      LEU  10   3.822  -8.997  -2.747
   75    H    ASP  11           H        ASP  11   7.784  -7.596   0.898
   76    HA   ASP  11           HA       ASP  11   5.714  -6.778   2.595
   77   1HB   ASP  11          HB2       ASP  11   8.511  -7.888   3.157
   78   2HB   ASP  11          HB3       ASP  11   7.379  -7.568   4.451
   79    H    GLN  12           H        GLN  12   9.104  -5.525   2.694
   80    HA   GLN  12           HA       GLN  12   8.357  -3.540   4.616
   81   1HB   GLN  12          HB2       GLN  12  10.557  -2.611   4.400
   82   2HB   GLN  12          HB3       GLN  12  10.607  -4.388   4.358
   83   1HG   GLN  12          HG2       GLN  12  12.204  -3.876   2.861
   84   2HG   GLN  12          HG3       GLN  12  10.798  -4.306   1.893
   85   1HE2  GLN  12          2HE2      GLN  12  10.346  -2.904   0.227
   86   2HE2  GLN  12          1HE2      GLN  12  11.017  -1.245   0.164
   87    H    LEU  13           H        LEU  13   8.172  -3.461   1.063
   88    HA   LEU  13           HA       LEU  13   7.721  -0.619   1.051
   89   1HB   LEU  13          HB2       LEU  13   8.703  -1.955  -0.849
   90   2HB   LEU  13          HB3       LEU  13   7.103  -2.601  -1.166
   91    HG   LEU  13           HG       LEU  13   6.296  -0.414  -1.851
   92   1HD1  LEU  13          1HD1      LEU  13   7.319   1.071  -0.236
   93   2HD1  LEU  13          2HD1      LEU  13   8.956   0.721  -0.891
   94   3HD1  LEU  13          3HD1      LEU  13   7.748   1.622  -1.840
   95   1HD2  LEU  13          1HD2      LEU  13   7.839   0.061  -3.713
   96   2HD2  LEU  13          2HD2      LEU  13   9.139  -0.841  -2.900
   97   3HD2  LEU  13          3HD2      LEU  13   7.702  -1.698  -3.474
   98    H    HIS  14           H        HIS  14   5.469  -3.484   1.062
   99    HA   HIS  14           HA       HIS  14   3.183  -1.664   0.871
  100   1HB   HIS  14          HB2       HIS  14   1.744  -3.494   1.197
  101   2HB   HIS  14          HB3       HIS  14   2.957  -3.907   0.018
  102    HD2  HIS  14           HD2      HIS  14   2.842  -4.529   3.931
  103    HE1  HIS  14           HE1      HIS  14   3.465  -8.238   1.929
  104    HE2  HIS  14           HE2      HIS  14   3.215  -7.108   4.191
  105    H    THR  15           H        THR  15   5.173  -2.896   3.454
  106    HA   THR  15           HA       THR  15   3.515  -1.908   5.615
  107    HB   THR  15           HB       THR  15   6.564  -2.095   5.615
  108    HG1  THR  15           HG1      THR  15   5.736  -4.135   5.121
  109   1HG2  THR  15          1HG2      THR  15   5.647  -0.909   7.580
  110   2HG2  THR  15          2HG2      THR  15   4.494  -2.248   7.833
  111   3HG2  THR  15          3HG2      THR  15   6.235  -2.517   8.037
  112    H    LEU  16           H        LEU  16   6.297  -0.347   3.877
  113    HA   LEU  16           HA       LEU  16   5.953   2.233   5.008
  114   1HB   LEU  16          HB2       LEU  16   7.832   1.636   3.478
  115   2HB   LEU  16          HB3       LEU  16   6.698   1.399   2.174
  116    HG   LEU  16           HG       LEU  16   6.043   3.978   2.697
  117   1HD1  LEU  16          1HD1      LEU  16   8.985   3.859   3.465
  118   2HD1  LEU  16          2HD1      LEU  16   7.978   5.314   3.310
  119   3HD1  LEU  16          3HD1      LEU  16   7.657   4.158   4.605
  120   1HD2  LEU  16          1HD2      LEU  16   7.765   4.578   0.951
  121   2HD2  LEU  16          2HD2      LEU  16   8.339   2.887   1.069
  122   3HD2  LEU  16          3HD2      LEU  16   6.683   3.233   0.550
  123    H    LEU  17           H        LEU  17   4.367   0.918   2.059
  124    HA   LEU  17           HA       LEU  17   2.725   3.219   1.679
  125   1HB   LEU  17          HB2       LEU  17   3.377   0.816   0.310
  126   2HB   LEU  17          HB3       LEU  17   1.664   0.762   0.445
  127    HG   LEU  17           HG       LEU  17   1.396   2.547  -1.112
  128   1HD1  LEU  17          1HD1      LEU  17   2.487   4.360  -0.081
  129   2HD1  LEU  17          2HD1      LEU  17   4.109   3.622  -0.314
  130   3HD1  LEU  17          3HD1      LEU  17   3.158   4.201  -1.693
  131   1HD2  LEU  17          1HD2      LEU  17   3.079   2.183  -2.896
  132   2HD2  LEU  17          2HD2      LEU  17   4.167   1.412  -1.733
  133   3HD2  LEU  17          3HD2      LEU  17   2.612   0.648  -2.117
  134    H    SER  18           H        SER  18   2.264   1.046   4.124
  135    HA   SER  18           HA       SER  18  -0.425   2.221   4.567
  136   1HB   SER  18          HB2       SER  18  -0.859   0.067   3.478
  137   2HB   SER  18          HB3       SER  18   0.143  -0.759   4.687
  138    HG   SER  18           HG       SER  18  -1.325   0.434   6.198
  139    H    ASN  19           H        ASN  19   2.320   2.468   5.748
  140    HA   ASN  19           HA       ASN  19   2.869   1.312   8.090
  141   1HB   ASN  19          HB2       ASN  19   4.277   3.303   8.515
  142   2HB   ASN  19          HB3       ASN  19   4.298   2.849   6.816
  143   1HD2  ASN  19          2HD2      ASN  19   3.677   4.432   5.307
  144   2HD2  ASN  19          1HD2      ASN  19   2.987   5.981   5.822
  145    H    THR  20           H        THR  20   0.175   3.176   7.885
  146    HA   THR  20           HA       THR  20  -1.496   3.120   9.489
  147    HB   THR  20           HB       THR  20  -1.266   4.141  11.752
  148    HG1  THR  20           HG1      THR  20   1.428   3.669  11.224
  149   1HG2  THR  20          1HG2      THR  20  -1.535   1.747  11.464
  150   2HG2  THR  20          2HG2      THR  20   0.202   1.530  11.218
  151   3HG2  THR  20          3HG2      THR  20  -0.393   2.080  12.788
  152    H    ASP  21           H        ASP  21   0.650   5.606   8.392
  153    HA   ASP  21           HA       ASP  21  -1.121   7.810   8.846
  154   1HB   ASP  21          HB2       ASP  21   1.260   8.052   8.183
  155   2HB   ASP  21          HB3       ASP  21   0.871   7.373   6.605
  156    H    ALA  22           H        ALA  22  -2.252   8.881   7.308
  157    HA   ALA  22           HA       ALA  22  -3.275   7.650   4.832
  158   1HB   ALA  22          HB1       ALA  22  -5.187   8.601   7.000
  159   2HB   ALA  22          HB2       ALA  22  -5.648   8.087   5.362
  160   3HB   ALA  22          HB3       ALA  22  -4.925   6.916   6.489
  161    H    THR  23           H        THR  23  -2.172  10.417   6.475
  162    HA   THR  23           HA       THR  23  -3.817  12.491   5.911
  163    HB   THR  23           HB       THR  23  -0.764  12.570   6.024
  164    HG1  THR  23           HG1      THR  23  -1.328  11.455   7.737
  165   1HG2  THR  23          1HG2      THR  23  -1.089  14.741   7.193
  166   2HG2  THR  23          2HG2      THR  23  -1.717  14.787   5.541
  167   3HG2  THR  23          3HG2      THR  23  -2.831  14.619   6.920
  168    H    GLY  24           H        GLY  24  -1.152  11.497   3.796
  169   1HA   GLY  24          HA2       GLY  24  -2.582  12.924   1.541
  170   2HA   GLY  24          HA3       GLY  24  -0.830  12.736   1.638
  171    H    LEU  25           H        LEU  25  -2.026   9.829   2.751
  172    HA   LEU  25           HA       LEU  25  -1.723   8.535   0.111
  173   1HB   LEU  25          HB2       LEU  25  -2.737   7.302   2.696
  174   2HB   LEU  25          HB3       LEU  25  -2.257   6.527   1.172
  175    HG   LEU  25           HG       LEU  25   0.107   7.354   1.587
  176   1HD1  LEU  25          1HD1      LEU  25  -0.957   7.658   4.432
  177   2HD1  LEU  25          2HD1      LEU  25  -0.280   8.972   3.447
  178   3HD1  LEU  25          3HD1      LEU  25   0.754   7.643   3.968
  179   1HD2  LEU  25          1HD2      LEU  25  -0.511   5.044   1.798
  180   2HD2  LEU  25          2HD2      LEU  25   0.483   5.408   3.190
  181   3HD2  LEU  25          3HD2      LEU  25  -1.280   5.302   3.391
  182    H    GLU  26           H        GLU  26  -4.271   9.885   2.121
  183    HA   GLU  26           HA       GLU  26  -6.623   8.865   1.309
  184   1HB   GLU  26          HB2       GLU  26  -7.546  11.173   1.613
  185   2HB   GLU  26          HB3       GLU  26  -6.580  10.525   2.910
  186   1HG   GLU  26          HG2       GLU  26  -5.834  12.656   2.901
  187   2HG   GLU  26          HG3       GLU  26  -4.597  11.910   1.908
  188    H    GLU  27           H        GLU  27  -5.007  11.380  -0.756
  189    HA   GLU  27           HA       GLU  27  -6.890  11.254  -2.826
  190   1HB   GLU  27          HB2       GLU  27  -4.804  12.747  -2.455
  191   2HB   GLU  27          HB3       GLU  27  -3.876  11.492  -3.229
  192   1HG   GLU  27          HG2       GLU  27  -4.365  13.145  -4.926
  193   2HG   GLU  27          HG3       GLU  27  -5.385  11.766  -5.293
  194    H    ILE  28           H        ILE  28  -3.994   9.297  -2.416
  195    HA   ILE  28           HA       ILE  28  -4.191   7.850  -4.885
  196    HB   ILE  28           HB       ILE  28  -2.872   6.788  -2.364
  197   1HG1  ILE  28          2HG1      ILE  28  -2.054   9.062  -2.398
  198   2HG1  ILE  28          3HG1      ILE  28  -0.801   7.916  -2.823
  199   1HG2  ILE  28          1HG2      ILE  28  -2.973   5.394  -4.433
  200   2HG2  ILE  28          2HG2      ILE  28  -2.013   6.602  -5.276
  201   3HG2  ILE  28          3HG2      ILE  28  -1.325   5.735  -3.876
  202   1HD1  ILE  28          1HD1      ILE  28  -2.327   9.655  -4.807
  203   2HD1  ILE  28          2HD1      ILE  28  -0.702   9.977  -4.188
  204   3HD1  ILE  28          3HD1      ILE  28  -0.969   8.566  -5.207
  205    H    ASP  29           H        ASP  29  -5.381   7.180  -1.582
  206    HA   ASP  29           HA       ASP  29  -6.455   4.581  -2.363
  207   1HB   ASP  29          HB2       ASP  29  -7.094   4.267  -0.158
  208   2HB   ASP  29          HB3       ASP  29  -5.497   4.952  -0.269
  209    H    ARG  30           H        ARG  30  -7.965   7.874  -2.109
  210    HA   ARG  30           HA       ARG  30 -10.556   6.755  -2.772
  211   1HB   ARG  30          HB2       ARG  30 -11.347   8.967  -3.167
  212   2HB   ARG  30          HB3       ARG  30 -10.388   8.963  -1.685
  213   1HG   ARG  30          HG2       ARG  30  -8.561  10.049  -2.751
  214   2HG   ARG  30          HG3       ARG  30  -9.306   9.978  -4.351
  215   1HD   ARG  30          HD2       ARG  30 -10.892  11.615  -3.858
  216   2HD   ARG  30          HD3       ARG  30 -10.846  11.323  -2.122
  217    HE   ARG  30           HE       ARG  30  -8.789  12.828  -3.702
  218   1HH1  ARG  30          1HH2      ARG  30  -9.614  11.662  -0.477
  219   2HH1  ARG  30          2HH2      ARG  30  -8.481  12.876   0.178
  220   1HH2  ARG  30          1HH1      ARG  30  -7.427  14.278  -2.593
  221   2HH2  ARG  30          2HH1      ARG  30  -7.410  14.101  -0.854
  222    H    ALA  31           H        ALA  31  -7.822   7.956  -4.783
  223    HA   ALA  31           HA       ALA  31  -9.084   7.663  -7.297
  224   1HB   ALA  31          HB1       ALA  31  -6.781   7.536  -8.145
  225   2HB   ALA  31          HB2       ALA  31  -6.935   8.816  -6.907
  226   3HB   ALA  31          HB3       ALA  31  -6.184   7.251  -6.508
  227    H    LEU  32           H        LEU  32  -8.106   5.198  -5.070
  228    HA   LEU  32           HA       LEU  32  -8.518   3.046  -7.103
  229   1HB   LEU  32          HB2       LEU  32  -7.009   3.051  -4.478
  230   2HB   LEU  32          HB3       LEU  32  -7.224   1.645  -5.518
  231    HG   LEU  32           HG       LEU  32  -5.833   4.232  -6.367
  232   1HD1  LEU  32          1HD1      LEU  32  -4.802   3.040  -4.436
  233   2HD1  LEU  32          2HD1      LEU  32  -4.534   1.640  -5.486
  234   3HD1  LEU  32          3HD1      LEU  32  -3.760   3.201  -5.888
  235   1HD2  LEU  32          1HD2      LEU  32  -6.691   2.795  -8.242
  236   2HD2  LEU  32          2HD2      LEU  32  -4.940   2.959  -8.217
  237   3HD2  LEU  32          3HD2      LEU  32  -5.689   1.458  -7.605
  238    H    GLY  33           H        GLY  33 -10.434   4.668  -5.141
  239   1HA   GLY  33          HA2       GLY  33 -12.498   4.231  -4.230
  240   2HA   GLY  33          HA3       GLY  33 -12.427   2.662  -5.025
  241    H    ILE  34           H        ILE  34  -9.896   3.225  -2.746
  242    HA   ILE  34           HA       ILE  34 -10.469   0.863  -1.354
  243    HB   ILE  34           HB       ILE  34  -8.731   3.123  -0.411
  244   1HG1  ILE  34          2HG1      ILE  34  -8.196   0.716  -2.208
  245   2HG1  ILE  34          3HG1      ILE  34  -8.076   2.420  -2.649
  246   1HG2  ILE  34          1HG2      ILE  34  -9.319   1.344   1.329
  247   2HG2  ILE  34          2HG2      ILE  34  -8.542   0.178   0.256
  248   3HG2  ILE  34          3HG2      ILE  34  -7.585   1.502   0.977
  249   1HD1  ILE  34          1HD1      ILE  34  -5.880   1.471  -2.453
  250   2HD1  ILE  34          2HD1      ILE  34  -6.086   2.631  -1.130
  251   3HD1  ILE  34          3HD1      ILE  34  -6.217   0.892  -0.804
  252    HA   PRO  35           HA       PRO  35 -12.568   3.391   2.260
  253   1HB   PRO  35          HB2       PRO  35 -13.704   5.597   0.551
  254   2HB   PRO  35          HB3       PRO  35 -13.293   5.611   2.288
  255   1HG   PRO  35          HG2       PRO  35 -11.570   6.739   0.518
  256   2HG   PRO  35          HG3       PRO  35 -10.926   5.663   1.796
  257   1HD   PRO  35          HD2       PRO  35 -11.541   4.967  -1.074
  258   2HD   PRO  35          HD3       PRO  35 -10.066   4.638  -0.115
  259    H    GLU  36           H        GLU  36 -13.758   2.751  -0.999
  260    HA   GLU  36           HA       GLU  36 -16.448   2.056   0.035
  261   1HB   GLU  36          HB2       GLU  36 -16.550   3.321  -1.983
  262   2HB   GLU  36          HB3       GLU  36 -15.316   2.347  -2.758
  263   1HG   GLU  36          HG2       GLU  36 -17.557   1.918  -3.630
  264   2HG   GLU  36          HG3       GLU  36 -16.756   0.488  -2.991
  265    H    LEU  37           H        LEU  37 -13.491   0.551  -1.282
  266    HA   LEU  37           HA       LEU  37 -14.394  -2.177  -1.106
  267   1HB   LEU  37          HB2       LEU  37 -11.576  -1.099  -0.647
  268   2HB   LEU  37          HB3       LEU  37 -12.014  -2.771  -0.918
  269    HG   LEU  37           HG       LEU  37 -12.346  -0.504  -2.936
  270   1HD1  LEU  37          1HD1      LEU  37 -10.009  -1.183  -2.433
  271   2HD1  LEU  37          2HD1      LEU  37 -10.421  -2.853  -2.860
  272   3HD1  LEU  37          3HD1      LEU  37 -10.485  -1.574  -4.099
  273   1HD2  LEU  37          1HD2      LEU  37 -12.828  -2.325  -4.572
  274   2HD2  LEU  37          2HD2      LEU  37 -12.826  -3.513  -3.254
  275   3HD2  LEU  37          3HD2      LEU  37 -14.070  -2.247  -3.339
  276    H    VAL  38           H        VAL  38 -13.315   0.097   1.331
  277    HA   VAL  38           HA       VAL  38 -13.250  -1.559   3.651
  278    HB   VAL  38           HB       VAL  38 -13.866   1.359   3.169
  279   1HG1  VAL  38          1HG1      VAL  38 -15.045   0.832   5.252
  280   2HG1  VAL  38          2HG1      VAL  38 -13.567   0.081   5.909
  281   3HG1  VAL  38          3HG1      VAL  38 -13.624   1.817   5.566
  282   1HG2  VAL  38          1HG2      VAL  38 -11.516   0.523   2.827
  283   2HG2  VAL  38          2HG2      VAL  38 -11.683   1.741   4.093
  284   3HG2  VAL  38          3HG2      VAL  38 -11.512   0.018   4.532
  285    H    ASN  39           H        ASN  39 -16.008   0.381   2.319
  286    HA   ASN  39           HA       ASN  39 -18.010  -0.584   4.102
  287   1HB   ASN  39          HB2       ASN  39 -18.391   0.265   1.196
  288   2HB   ASN  39          HB3       ASN  39 -19.606   0.222   2.470
  289   1HD2  ASN  39          2HD2      ASN  39 -18.539   2.444   0.734
  290   2HD2  ASN  39          1HD2      ASN  39 -18.000   3.659   1.916
  291    H    GLN  40           H        GLN  40 -16.967  -1.815   0.934
  292    HA   GLN  40           HA       GLN  40 -18.754  -4.075   0.889
  293   1HB   GLN  40          HB2       GLN  40 -16.160  -3.439  -0.572
  294   2HB   GLN  40          HB3       GLN  40 -17.133  -4.892  -0.913
  295   1HG   GLN  40          HG2       GLN  40 -19.071  -3.555  -1.529
  296   2HG   GLN  40          HG3       GLN  40 -18.245  -2.060  -1.052
  297   1HE2  GLN  40          2HE2      GLN  40 -18.480  -1.100  -3.117
  298   2HE2  GLN  40          1HE2      GLN  40 -17.567  -1.746  -4.490
  299    H    GLY  41           H        GLY  41 -15.838  -3.572   2.710
  300   1HA   GLY  41          HA2       GLY  41 -14.914  -4.915   4.311
  301   2HA   GLY  41          HA3       GLY  41 -16.048  -6.204   3.891
  302    H    GLN  42           H        GLN  42 -14.075  -4.897   1.324
  303    HA   GLN  42           HA       GLN  42 -13.191  -7.469   0.547
  304   1HB   GLN  42          HB2       GLN  42 -13.384  -4.986  -0.629
  305   2HB   GLN  42          HB3       GLN  42 -11.640  -5.143  -0.494
  306   1HG   GLN  42          HG2       GLN  42 -13.504  -7.205  -1.750
  307   2HG   GLN  42          HG3       GLN  42 -12.672  -5.940  -2.648
  308   1HE2  GLN  42          2HE2      GLN  42 -12.498  -9.152  -2.039
  309   2HE2  GLN  42          1HE2      GLN  42 -10.821  -9.425  -2.363
  310    H    ALA  43           H        ALA  43 -11.766  -5.334   2.812
  311    HA   ALA  43           HA       ALA  43  -9.057  -6.271   2.947
  312   1HB   ALA  43          HB1       ALA  43  -9.231  -5.394   5.258
  313   2HB   ALA  43          HB2       ALA  43  -9.972  -4.245   4.110
  314   3HB   ALA  43          HB3       ALA  43 -10.992  -5.296   5.109
  315    H    LEU  44           H        LEU  44 -12.121  -7.660   4.137
  316    HA   LEU  44           HA       LEU  44 -10.856  -9.549   5.954
  317   1HB   LEU  44          HB2       LEU  44 -13.696  -9.513   4.883
  318   2HB   LEU  44          HB3       LEU  44 -13.120 -10.368   6.307
  319    HG   LEU  44           HG       LEU  44 -13.276  -7.330   6.033
  320   1HD1  LEU  44          1HD1      LEU  44 -15.087  -7.482   7.638
  321   2HD1  LEU  44          2HD1      LEU  44 -15.471  -8.430   6.191
  322   3HD1  LEU  44          3HD1      LEU  44 -14.946  -9.260   7.670
  323   1HD2  LEU  44          1HD2      LEU  44 -12.518  -9.070   8.428
  324   2HD2  LEU  44          2HD2      LEU  44 -11.425  -7.977   7.543
  325   3HD2  LEU  44          3HD2      LEU  44 -12.770  -7.307   8.461
  326    H    GLU  45           H        GLU  45 -11.444  -9.499   2.588
  327    HA   GLU  45           HA       GLU  45 -11.269 -12.443   2.237
  328   1HB   GLU  45          HB2       GLU  45 -11.277 -10.174   0.209
  329   2HB   GLU  45          HB3       GLU  45 -11.135 -11.874  -0.183
  330   1HG   GLU  45          HG2       GLU  45 -13.388 -12.288   0.823
  331   2HG   GLU  45          HG3       GLU  45 -13.569 -10.554   1.081
  332    HA   PRO  46           HA       PRO  46  -6.673 -11.907   2.193
  333   1HB   PRO  46          HB2       PRO  46  -6.927 -14.738   1.175
  334   2HB   PRO  46          HB3       PRO  46  -5.802 -14.068   2.399
  335   1HG   PRO  46          HG2       PRO  46  -7.944 -15.509   3.179
  336   2HG   PRO  46          HG3       PRO  46  -7.529 -13.999   4.048
  337   1HD   PRO  46          HD2       PRO  46  -9.626 -14.392   1.908
  338   2HD   PRO  46          HD3       PRO  46  -9.752 -13.517   3.459
  339    H    LYS  47           H        LYS  47  -8.825 -12.059  -0.294
  340    HA   LYS  47           HA       LYS  47  -6.910 -11.894  -2.560
  341   1HB   LYS  47          HB2       LYS  47  -7.759 -14.200  -2.545
  342   2HB   LYS  47          HB3       LYS  47  -9.345 -13.644  -2.104
  343   1HG   LYS  47          HG2       LYS  47  -9.129 -12.413  -4.572
  344   2HG   LYS  47          HG3       LYS  47  -8.047 -13.757  -4.802
  345   1HD   LYS  47          HD2       LYS  47 -10.354 -14.188  -5.580
  346   2HD   LYS  47          HD3       LYS  47  -9.819 -15.335  -4.364
  347   1HE   LYS  47          HE2       LYS  47 -12.190 -14.630  -4.058
  348   2HE   LYS  47          HE3       LYS  47 -11.181 -14.308  -2.650
  349   1HZ   LYS  47          HZ1       LYS  47 -11.076 -11.987  -3.309
  350   2HZ   LYS  47          HZ2       LYS  47 -12.061 -12.258  -4.603
  351   3HZ   LYS  47          HZ3       LYS  47 -12.569 -12.453  -3.042
  352    HT1  PRO  48           H3       PRO  48  14.574  -6.610 -10.389
  353    HT2  PRO  48           H2       PRO  48  14.791  -7.101 -11.928
  354    HA   PRO  48           HA       PRO  48  12.675  -5.548 -10.926
  355   1HB   PRO  48          HB2       PRO  48  13.154  -3.754 -12.938
  356   2HB   PRO  48          HB3       PRO  48  13.679  -3.507 -11.239
  357   1HG   PRO  48          HG3       PRO  48  15.324  -4.619 -13.535
  358   2HG   PRO  48          HG2       PRO  48  15.773  -3.315 -12.385
  359   1HD   PRO  48          HD3       PRO  48  16.634  -5.817 -11.929
  360   2HD   PRO  48          HD2       PRO  48  15.961  -4.847 -10.581
  361    H    ASN  49           H        ASN  49  12.400  -7.845 -11.570
  362    HA   ASN  49           HA       ASN  49  11.525  -8.319 -14.310
  363   1HB   ASN  49          HB2       ASN  49  13.224 -10.219 -14.680
  364   2HB   ASN  49          HB3       ASN  49  13.809  -8.570 -14.847
  365   1HD2  ASN  49          1HD2      ASN  49  14.288 -11.580 -13.031
  366   2HD2  ASN  49          2HD2      ASN  49  15.379 -10.787 -11.879
  367    H    ARG  50           H        ARG  50  12.864 -10.497 -11.795
  368    HA   ARG  50           HA       ARG  50  10.216 -11.835 -11.487
  369   1HB   ARG  50          HB2       ARG  50  13.040 -12.488 -10.637
  370   2HB   ARG  50          HB3       ARG  50  11.680 -13.066  -9.663
  371   1HG   ARG  50          HG2       ARG  50  12.104 -14.843 -11.105
  372   2HG   ARG  50          HG3       ARG  50  10.667 -14.076 -11.750
  373   1HD   ARG  50          HD2       ARG  50  12.006 -14.591 -13.627
  374   2HD   ARG  50          HD3       ARG  50  12.259 -12.857 -13.377
  375    HE   ARG  50           HE       ARG  50  14.248 -14.525 -12.029
  376   1HH1  ARG  50          1HH1      ARG  50  13.534 -13.306 -15.262
  377   2HH1  ARG  50          2HH1      ARG  50  15.189 -13.598 -15.780
  378   1HH2  ARG  50          2HH2      ARG  50  16.170 -14.871 -12.728
  379   2HH2  ARG  50          1HH2      ARG  50  16.713 -14.484 -14.349
  380    H    SER  51           H        SER  51  12.638 -10.084  -9.444
  381    HA   SER  51           HA       SER  51  10.376  -9.232  -7.736
  382   1HB   SER  51          HB2       SER  51  11.922  -7.993  -6.374
  383   2HB   SER  51          HB3       SER  51  12.473  -9.659  -6.528
  384    HG   SER  51           HG       SER  51  14.175  -8.544  -6.760
  385    H    ILE  52           H        ILE  52   9.262  -7.545  -8.194
  386    HA   ILE  52           HA       ILE  52   9.897  -6.206 -10.773
  387    HB   ILE  52           HB       ILE  52   7.300  -5.899  -9.261
  388   1HG1  ILE  52          2HG1      ILE  52   6.491  -7.726 -11.001
  389   2HG1  ILE  52          3HG1      ILE  52   8.152  -8.301 -10.877
  390   1HG2  ILE  52          1HG2      ILE  52   6.455  -5.527 -11.597
  391   2HG2  ILE  52          2HG2      ILE  52   7.723  -4.382 -11.180
  392   3HG2  ILE  52          3HG2      ILE  52   8.095  -5.772 -12.209
  393   1HD1  ILE  52          1HD1      ILE  52   7.860  -8.708  -8.471
  394   2HD1  ILE  52          2HD1      ILE  52   6.260  -7.939  -8.491
  395   3HD1  ILE  52          3HD1      ILE  52   6.523  -9.454  -9.353
  396    H    SER  53           H        SER  53   9.602  -5.401  -7.390
  397    HA   SER  53           HA       SER  53   9.782  -2.512  -7.959
  398   1HB   SER  53          HB2       SER  53   9.276  -2.339  -5.447
  399   2HB   SER  53          HB3       SER  53   8.015  -2.877  -6.541
  400    HG   SER  53           HG       SER  53   9.526  -4.392  -4.715
  401    HA   PRO  54           HA       PRO  54  13.869  -3.248  -5.480
  402   1HB   PRO  54          HB2       PRO  54  15.886  -3.942  -7.138
  403   2HB   PRO  54          HB3       PRO  54  14.883  -5.141  -6.282
  404   1HG   PRO  54          HG2       PRO  54  14.491  -4.105  -9.089
  405   2HG   PRO  54          HG3       PRO  54  14.574  -5.826  -8.542
  406   1HD   PRO  54          HD2       PRO  54  12.226  -4.578  -8.960
  407   2HD   PRO  54          HD3       PRO  54  12.426  -5.688  -7.555
  408    H    SER  55           H        SER  55  12.953  -1.764  -8.524
  409    HA   SER  55           HA       SER  55  14.824   0.471  -8.265
  410   1HB   SER  55          HB2       SER  55  13.341   1.324 -10.197
  411   2HB   SER  55          HB3       SER  55  14.218  -0.189 -10.530
  412    HG   SER  55           HG       SER  55  11.998  -0.337 -11.111
  413    H    ALA  56           H        ALA  56  11.282  -0.030  -8.060
  414    HA   ALA  56           HA       ALA  56  10.584   2.393  -6.803
  415   1HB   ALA  56          HB1       ALA  56   8.907   0.906  -7.754
  416   2HB   ALA  56          HB2       ALA  56   9.407  -0.432  -6.704
  417   3HB   ALA  56          HB3       ALA  56   8.582   0.928  -5.997
  418    H    LEU  57           H        LEU  57  12.031  -0.493  -5.351
  419    HA   LEU  57           HA       LEU  57  11.867   0.056  -2.622
  420   1HB   LEU  57          HB2       LEU  57  12.759  -2.012  -3.608
  421   2HB   LEU  57          HB3       LEU  57  14.010  -1.092  -4.433
  422    HG   LEU  57           HG       LEU  57  15.185  -0.666  -2.344
  423   1HD1  LEU  57          1HD1      LEU  57  13.309  -0.806  -0.719
  424   2HD1  LEU  57          2HD1      LEU  57  13.101  -2.525  -1.119
  425   3HD1  LEU  57          3HD1      LEU  57  14.576  -1.966  -0.306
  426   1HD2  LEU  57          1HD2      LEU  57  14.543  -3.598  -2.913
  427   2HD2  LEU  57          2HD2      LEU  57  15.693  -2.592  -3.816
  428   3HD2  LEU  57          3HD2      LEU  57  16.010  -2.988  -2.127
  429    H    GLN  58           H        GLN  58  13.702   1.730  -5.091
  430    HA   GLN  58           HA       GLN  58  15.058   3.427  -3.067
  431   1HB   GLN  58          HB2       GLN  58  15.287   3.356  -6.100
  432   2HB   GLN  58          HB3       GLN  58  16.216   4.382  -5.011
  433   1HG   GLN  58          HG2       GLN  58  17.514   2.608  -4.232
  434   2HG   GLN  58          HG3       GLN  58  16.320   1.369  -4.576
  435   1HE2  GLN  58          2HE2      GLN  58  16.502   0.122  -6.537
  436   2HE2  GLN  58          1HE2      GLN  58  17.669   0.679  -7.741
  437    H    ASP  59           H        ASP  59  13.022   3.800  -6.018
  438    HA   ASP  59           HA       ASP  59  12.508   6.504  -5.309
  439   1HB   ASP  59          HB2       ASP  59  12.676   5.294  -7.694
  440   2HB   ASP  59          HB3       ASP  59  10.943   5.244  -7.522
  441    H    LEU  60           H        LEU  60  10.339   3.687  -5.004
  442    HA   LEU  60           HA       LEU  60   8.022   5.392  -4.491
  443   1HB   LEU  60          HB2       LEU  60   8.155   2.928  -5.414
  444   2HB   LEU  60          HB3       LEU  60   8.089   2.503  -3.730
  445    HG   LEU  60           HG       LEU  60   6.075   4.150  -5.345
  446   1HD1  LEU  60          1HD1      LEU  60   4.571   2.263  -4.917
  447   2HD1  LEU  60          2HD1      LEU  60   6.055   1.720  -5.750
  448   3HD1  LEU  60          3HD1      LEU  60   5.858   1.437  -4.005
  449   1HD2  LEU  60          1HD2      LEU  60   4.571   4.034  -3.396
  450   2HD2  LEU  60          2HD2      LEU  60   5.924   3.425  -2.400
  451   3HD2  LEU  60          3HD2      LEU  60   5.970   5.067  -3.102
  452    H    LEU  61           H        LEU  61  10.545   3.579  -2.826
  453    HA   LEU  61           HA       LEU  61   9.746   4.006  -0.137
  454   1HB   LEU  61          HB2       LEU  61  11.631   2.544  -1.199
  455   2HB   LEU  61          HB3       LEU  61  12.644   3.983  -1.016
  456    HG   LEU  61           HG       LEU  61  11.539   3.824   1.495
  457   1HD1  LEU  61          1HD1      LEU  61  10.270   1.749   0.932
  458   2HD1  LEU  61          2HD1      LEU  61  11.816   0.933   0.593
  459   3HD1  LEU  61          3HD1      LEU  61  11.457   1.495   2.221
  460   1HD2  LEU  61          1HD2      LEU  61  13.947   2.211   0.574
  461   2HD2  LEU  61          2HD2      LEU  61  13.969   3.938   0.969
  462   3HD2  LEU  61          3HD2      LEU  61  13.589   2.754   2.236
  463    H    ARG  62           H        ARG  62  12.127   6.088  -1.999
  464    HA   ARG  62           HA       ARG  62  12.005   8.163  -0.036
  465   1HB   ARG  62          HB2       ARG  62  13.131   9.610  -1.542
  466   2HB   ARG  62          HB3       ARG  62  13.781   7.984  -1.699
  467   1HG   ARG  62          HG2       ARG  62  13.689   8.534  -3.906
  468   2HG   ARG  62          HG3       ARG  62  12.091   7.824  -3.712
  469   1HD   ARG  62          HD2       ARG  62  11.303  10.281  -3.243
  470   2HD   ARG  62          HD3       ARG  62  12.858  10.757  -3.917
  471    HE   ARG  62           HE       ARG  62  12.054   9.224  -5.932
  472   1HH1  ARG  62          2HH2      ARG  62   9.967  11.417  -4.178
  473   2HH1  ARG  62          1HH2      ARG  62   8.626  11.125  -5.257
  474   1HH2  ARG  62          2HH1      ARG  62  10.419   9.092  -7.410
  475   2HH2  ARG  62          1HH1      ARG  62   8.972  10.012  -7.160
  476    H    THR  63           H        THR  63   9.863   7.575  -2.777
  477    HA   THR  63           HA       THR  63   8.328   9.918  -2.812
  478    HB   THR  63           HB       THR  63   7.860   7.016  -3.417
  479    HG1  THR  63           HG1      THR  63   9.005   7.847  -4.905
  480   1HG2  THR  63          1HG2      THR  63   5.523   7.997  -2.992
  481   2HG2  THR  63          2HG2      THR  63   5.806   8.833  -4.556
  482   3HG2  THR  63          3HG2      THR  63   5.908   7.077  -4.457
  483    H    LEU  64           H        LEU  64   7.970   7.232  -0.529
  484    HA   LEU  64           HA       LEU  64   5.833   8.862   0.785
  485   1HB   LEU  64          HB2       LEU  64   5.753   6.156   0.072
  486   2HB   LEU  64          HB3       LEU  64   6.174   6.126   1.762
  487    HG   LEU  64           HG       LEU  64   4.163   7.915   1.998
  488   1HD1  LEU  64          1HD1      LEU  64   3.452   6.425  -0.561
  489   2HD1  LEU  64          2HD1      LEU  64   2.359   7.453   0.369
  490   3HD1  LEU  64          3HD1      LEU  64   3.792   8.162  -0.430
  491   1HD2  LEU  64          1HD2      LEU  64   4.084   5.846   3.127
  492   2HD2  LEU  64          2HD2      LEU  64   2.565   5.947   2.196
  493   3HD2  LEU  64          3HD2      LEU  64   3.920   4.935   1.624
  494    H    LYS  65           H        LYS  65   9.082   7.619   1.292
  495    HA   LYS  65           HA       LYS  65   9.191   8.189   4.098
  496   1HB   LYS  65          HB2       LYS  65  11.264   8.126   1.898
  497   2HB   LYS  65          HB3       LYS  65  11.704   8.707   3.496
  498   1HG   LYS  65          HG2       LYS  65  11.027   6.582   4.522
  499   2HG   LYS  65          HG3       LYS  65  10.394   6.006   2.976
  500   1HD   LYS  65          HD2       LYS  65  12.501   4.940   3.367
  501   2HD   LYS  65          HD3       LYS  65  12.647   6.041   1.988
  502   1HE   LYS  65          HE2       LYS  65  13.736   7.721   3.473
  503   2HE   LYS  65          HE3       LYS  65  13.508   6.667   4.863
  504   1HZ   LYS  65          HZ1       LYS  65  15.158   6.021   2.498
  505   2HZ   LYS  65          HZ2       LYS  65  15.733   6.458   3.965
  506   3HZ   LYS  65          HZ3       LYS  65  14.935   5.034   3.790
  507    H    SER  66           H        SER  66   9.375  10.185   1.195
  508    HA   SER  66           HA       SER  66   9.689  12.747   2.591
  509   1HB   SER  66          HB2       SER  66   8.906  13.659   0.341
  510   2HB   SER  66          HB3       SER  66  10.452  12.800   0.375
  511    HG   SER  66           HG       SER  66   9.436  11.019  -0.507
  512    HA   PRO  67           HA       PRO  67   5.723  11.740   4.123
  513   1HB   PRO  67          HB2       PRO  67   5.470  14.637   5.037
  514   2HB   PRO  67          HB3       PRO  67   5.232  13.139   6.007
  515   1HG   PRO  67          HG2       PRO  67   7.514  14.547   6.259
  516   2HG   PRO  67          HG3       PRO  67   7.564  12.754   6.130
  517   1HD   PRO  67          HD2       PRO  67   7.934  14.796   3.916
  518   2HD   PRO  67          HD3       PRO  67   9.035  13.442   4.378
  519    H    SER  68           H        SER  68   3.656  11.735   3.985
  520    HA   SER  68           HA       SER  68   2.674  11.928   1.457
  521   1HB   SER  68          HB2       SER  68   0.578  11.150   2.420
  522   2HB   SER  68          HB3       SER  68   1.965  10.359   3.166
  523    HG   SER  68           HG       SER  68   0.924  10.964   4.935
  524    H    SER  69           H        SER  69   2.411  14.437   3.861
  525    HA   SER  69           HA       SER  69   0.295  16.001   3.113
  526   1HB   SER  69          HB2       SER  69   1.523  16.580   4.994
  527   2HB   SER  69          HB3       SER  69   3.030  16.806   4.088
  528    HG   SER  69           HG       SER  69   1.842  18.779   4.651
  529    HA   PRO  70           HA       PRO  70   1.920  18.059  -0.770
  530   1HB   PRO  70          HB2       PRO  70   4.541  18.294  -1.474
  531   2HB   PRO  70          HB3       PRO  70   3.805  19.335  -0.221
  532   1HG   PRO  70          HG2       PRO  70   5.402  16.782   0.212
  533   2HG   PRO  70          HG3       PRO  70   5.650  18.385   0.981
  534   1HD   PRO  70          HD2       PRO  70   4.199  16.438   2.218
  535   2HD   PRO  70          HD3       PRO  70   3.770  18.175   2.321
  536    H    GLN  71           H        GLN  71   3.071  14.978   0.142
  537    HA   GLN  71           HA       GLN  71   3.790  14.118  -2.567
  538   1HB   GLN  71          HB2       GLN  71   4.198  12.862   0.206
  539   2HB   GLN  71          HB3       GLN  71   4.539  12.001  -1.260
  540   1HG   GLN  71          HG2       GLN  71   5.747  14.750  -0.637
  541   2HG   GLN  71          HG3       GLN  71   6.510  13.212  -0.262
  542   1HE2  GLN  71          1HE2      GLN  71   7.790  12.260  -1.813
  543   2HE2  GLN  71          2HE2      GLN  71   7.483  12.528  -3.548
  544    H    GLN  72           H        GLN  72   0.957  14.204  -0.952
  545    HA   GLN  72           HA       GLN  72  -0.449  11.953  -1.756
  546   1HB   GLN  72          HB2       GLN  72  -2.416  13.207  -1.214
  547   2HB   GLN  72          HB3       GLN  72  -1.122  13.801  -0.182
  548   1HG   GLN  72          HG2       GLN  72  -2.040  15.777  -0.686
  549   2HG   GLN  72          HG3       GLN  72  -0.907  15.696  -2.039
  550   1HE2  GLN  72          2HE2      GLN  72  -4.389  14.636  -1.233
  551   2HE2  GLN  72          1HE2      GLN  72  -4.918  15.076  -2.827
  552    H    GLN  73           H        GLN  73   0.745  14.300  -3.818
  553    HA   GLN  73           HA       GLN  73  -1.084  14.123  -6.015
  554   1HB   GLN  73          HB2       GLN  73   0.707  15.217  -7.239
  555   2HB   GLN  73          HB3       GLN  73   0.564  15.921  -5.633
  556   1HG   GLN  73          HG2       GLN  73   2.501  14.545  -4.840
  557   2HG   GLN  73          HG3       GLN  73   2.643  13.843  -6.459
  558   1HE2  GLN  73          2HE2      GLN  73   3.419  16.618  -4.462
  559   2HE2  GLN  73          1HE2      GLN  73   4.235  17.489  -5.767
  560    H    GLN  74           H        GLN  74  -0.280  13.342  -8.195
  561    HA   GLN  74           HA       GLN  74  -0.576  10.609  -8.449
  562   1HB   GLN  74          HB2       GLN  74  -0.110  10.924 -10.778
  563   2HB   GLN  74          HB3       GLN  74  -0.933  12.360 -10.184
  564   1HG   GLN  74          HG2       GLN  74   2.046  12.094 -10.813
  565   2HG   GLN  74          HG3       GLN  74   0.839  12.946 -11.766
  566   1HE2  GLN  74          2HE2      GLN  74   3.394  13.660  -9.824
  567   2HE2  GLN  74          1HE2      GLN  74   2.751  15.057  -8.989
  568    H    GLN  75           H        GLN  75   2.484  12.036  -7.599
  569    HA   GLN  75           HA       GLN  75   4.205  10.210  -8.949
  570   1HB   GLN  75          HB2       GLN  75   5.946  10.938  -7.364
  571   2HB   GLN  75          HB3       GLN  75   5.026  12.297  -7.984
  572   1HG   GLN  75          HG2       GLN  75   4.775  12.998  -5.891
  573   2HG   GLN  75          HG3       GLN  75   3.635  11.679  -5.622
  574   1HE2  GLN  75          2HE2      GLN  75   4.033  11.176  -3.468
  575   2HE2  GLN  75          1HE2      GLN  75   5.613  10.732  -2.894
  576    H    VAL  76           H        VAL  76   2.413   9.674  -5.896
  577    HA   VAL  76           HA       VAL  76   3.996   7.278  -5.323
  578    HB   VAL  76           HB       VAL  76   1.093   7.424  -4.497
  579   1HG1  VAL  76          1HG1      VAL  76   3.590   6.448  -3.066
  580   2HG1  VAL  76          2HG1      VAL  76   1.888   6.081  -2.655
  581   3HG1  VAL  76          3HG1      VAL  76   2.633   5.421  -4.125
  582   1HG2  VAL  76          1HG2      VAL  76   1.812   9.590  -3.768
  583   2HG2  VAL  76          2HG2      VAL  76   1.637   8.481  -2.398
  584   3HG2  VAL  76          3HG2      VAL  76   3.273   8.882  -3.003
  585    H    LEU  77           H        LEU  77   0.881   7.964  -6.831
  586    HA   LEU  77           HA       LEU  77   0.199   5.303  -7.366
  587   1HB   LEU  77          HB2       LEU  77  -1.092   7.671  -7.444
  588   2HB   LEU  77          HB3       LEU  77  -0.924   7.406  -9.164
  589    HG   LEU  77           HG       LEU  77  -2.065   5.335  -7.217
  590   1HD1  LEU  77          1HD1      LEU  77  -3.464   7.375  -7.192
  591   2HD1  LEU  77          2HD1      LEU  77  -3.591   7.298  -8.971
  592   3HD1  LEU  77          3HD1      LEU  77  -4.299   6.027  -7.953
  593   1HD2  LEU  77          1HD2      LEU  77  -3.135   4.434  -9.283
  594   2HD2  LEU  77          2HD2      LEU  77  -2.168   5.594 -10.236
  595   3HD2  LEU  77          3HD2      LEU  77  -1.372   4.307  -9.273
  596    H    ASN  78           H        ASN  78   1.909   7.686  -9.318
  597    HA   ASN  78           HA       ASN  78   2.252   6.254 -11.702
  598   1HB   ASN  78          HB2       ASN  78   2.647   8.695 -11.367
  599   2HB   ASN  78          HB3       ASN  78   4.083   8.319 -10.404
  600   1HD2  ASN  78          2HD2      ASN  78   5.803   8.996 -11.710
  601   2HD2  ASN  78          1HD2      ASN  78   5.950   8.496 -13.400
  602    H    ILE  79           H        ILE  79   4.178   5.997  -8.667
  603    HA   ILE  79           HA       ILE  79   6.019   4.106 -10.047
  604    HB   ILE  79           HB       ILE  79   6.058   5.134  -7.206
  605   1HG1  ILE  79          2HG1      ILE  79   8.054   5.988  -9.331
  606   2HG1  ILE  79          3HG1      ILE  79   6.523   6.833  -9.212
  607   1HG2  ILE  79          1HG2      ILE  79   8.428   4.241  -7.297
  608   2HG2  ILE  79          2HG2      ILE  79   7.236   2.946  -7.527
  609   3HG2  ILE  79          3HG2      ILE  79   8.117   3.628  -8.918
  610   1HD1  ILE  79          1HD1      ILE  79   6.931   7.234  -6.786
  611   2HD1  ILE  79          2HD1      ILE  79   8.571   6.562  -7.003
  612   3HD1  ILE  79          3HD1      ILE  79   8.057   8.029  -7.870
  613    H    LEU  80           H        LEU  80   3.488   4.119  -7.581
  614    HA   LEU  80           HA       LEU  80   3.300   1.542  -6.607
  615   1HB   LEU  80          HB2       LEU  80   1.403   3.725  -7.335
  616   2HB   LEU  80          HB3       LEU  80   0.667   2.144  -7.183
  617    HG   LEU  80           HG       LEU  80   2.389   3.284  -4.951
  618   1HD1  LEU  80          1HD1      LEU  80  -0.622   3.683  -5.298
  619   2HD1  LEU  80          2HD1      LEU  80   0.299   4.009  -3.822
  620   3HD1  LEU  80          3HD1      LEU  80   0.619   4.955  -5.263
  621   1HD2  LEU  80          1HD2      LEU  80   0.024   1.355  -5.078
  622   2HD2  LEU  80          2HD2      LEU  80   1.718   0.862  -4.924
  623   3HD2  LEU  80          3HD2      LEU  80   0.918   1.808  -3.618
  624    H    LYS  81           H        LYS  81   1.991   2.646  -9.744
  625    HA   LYS  81           HA       LYS  81   0.776   0.215 -10.480
  626   1HB   LYS  81          HB2       LYS  81   0.489   1.162 -12.640
  627   2HB   LYS  81          HB3       LYS  81   0.415   2.488 -11.483
  628   1HG   LYS  81          HG2       LYS  81   2.896   2.923 -12.004
  629   2HG   LYS  81          HG3       LYS  81   2.729   1.742 -13.313
  630   1HD   LYS  81          HD2       LYS  81   0.734   3.142 -14.106
  631   2HD   LYS  81          HD3       LYS  81   1.322   4.423 -13.027
  632   1HE   LYS  81          HE2       LYS  81   2.978   3.046 -15.203
  633   2HE   LYS  81          HE3       LYS  81   2.073   4.524 -15.486
  634   1HZ   LYS  81          HZ1       LYS  81   4.043   4.450 -13.306
  635   2HZ   LYS  81          HZ2       LYS  81   4.534   4.715 -14.848
  636   3HZ   LYS  81          HZ3       LYS  81   3.499   5.724 -14.095
  637    H    SER  82           H        SER  82   4.126   0.701 -10.335
  638    HA   SER  82           HA       SER  82   4.958  -0.924 -12.588
  639   1HB   SER  82          HB2       SER  82   7.197  -0.732 -11.637
  640   2HB   SER  82          HB3       SER  82   6.370   0.848 -11.688
  641    HG   SER  82           HG       SER  82   6.124   0.776  -9.501
  642    H    ASN  83           H        ASN  83   5.073  -1.687  -9.059
  643    HA   ASN  83           HA       ASN  83   5.345  -4.556  -9.749
  644   1HB   ASN  83          HB2       ASN  83   6.851  -3.789  -8.100
  645   2HB   ASN  83          HB3       ASN  83   5.557  -3.165  -7.084
  646   1HD2  ASN  83          1HD2      ASN  83   7.518  -5.234  -6.201
  647   2HD2  ASN  83          2HD2      ASN  83   6.674  -6.757  -6.233
  648    HA   PRO  84           HA       PRO  84   0.836  -4.356  -9.504
  649   1HB   PRO  84          HB2       PRO  84   0.881  -7.230 -10.263
  650   2HB   PRO  84          HB3       PRO  84   0.163  -5.836 -11.134
  651   1HG   PRO  84          HG2       PRO  84   2.402  -7.108 -12.064
  652   2HG   PRO  84          HG3       PRO  84   2.191  -5.333 -12.218
  653   1HD   PRO  84          HD2       PRO  84   3.739  -6.807 -10.060
  654   2HD   PRO  84          HD3       PRO  84   4.239  -5.454 -11.096
  655    H    GLN  85           H        GLN  85   2.883  -6.808  -7.963
  656    HA   GLN  85           HA       GLN  85   0.855  -7.882  -6.179
  657   1HB   GLN  85          HB2       GLN  85   3.862  -7.877  -5.690
  658   2HB   GLN  85          HB3       GLN  85   2.655  -8.978  -5.051
  659   1HG   GLN  85          HG2       GLN  85   2.254  -9.754  -7.458
  660   2HG   GLN  85          HG3       GLN  85   3.707  -8.855  -7.909
  661   1HE2  GLN  85          1HE2      GLN  85   5.725  -9.470  -6.046
  662   2HE2  GLN  85          2HE2      GLN  85   5.748 -11.219  -5.954
  663    H    LEU  86           H        LEU  86   3.429  -5.444  -5.950
  664    HA   LEU  86           HA       LEU  86   2.835  -4.534  -3.280
  665   1HB   LEU  86          HB2       LEU  86   4.941  -4.104  -4.465
  666   2HB   LEU  86          HB3       LEU  86   4.082  -3.097  -5.631
  667    HG   LEU  86           HG       LEU  86   5.471  -1.945  -3.836
  668   1HD1  LEU  86          1HD1      LEU  86   3.840  -0.854  -5.392
  669   2HD1  LEU  86          2HD1      LEU  86   2.627  -0.967  -4.093
  670   3HD1  LEU  86          3HD1      LEU  86   4.109  -0.028  -3.852
  671   1HD2  LEU  86          1HD2      LEU  86   4.317  -1.364  -1.725
  672   2HD2  LEU  86          2HD2      LEU  86   3.027  -2.471  -2.098
  673   3HD2  LEU  86          3HD2      LEU  86   4.676  -3.108  -1.837
  674    H    MET  87           H        MET  87   1.643  -3.417  -6.482
  675    HA   MET  87           HA       MET  87  -0.046  -1.404  -5.462
  676   1HB   MET  87          HB2       MET  87   0.603  -2.377  -7.977
  677   2HB   MET  87          HB3       MET  87  -1.103  -2.801  -7.872
  678   1HG   MET  87          HG2       MET  87   0.085  -0.056  -7.251
  679   2HG   MET  87          HG3       MET  87  -0.531  -0.496  -8.828
  680   1HE   MET  87          HE1       MET  87  -1.639   1.745  -8.607
  681   2HE   MET  87          HE2       MET  87  -3.115   2.071  -7.651
  682   3HE   MET  87          HE3       MET  87  -1.538   2.095  -6.853
  683    H    ALA  88           H        ALA  88  -0.944  -4.854  -6.123
  684    HA   ALA  88           HA       ALA  88  -3.563  -4.628  -5.025
  685   1HB   ALA  88          HB1       ALA  88  -3.424  -7.130  -4.899
  686   2HB   ALA  88          HB2       ALA  88  -2.849  -6.488  -6.463
  687   3HB   ALA  88          HB3       ALA  88  -1.689  -7.028  -5.233
  688    H    ALA  89           H        ALA  89  -0.435  -5.528  -3.437
  689    HA   ALA  89           HA       ALA  89  -1.468  -6.001  -0.850
  690   1HB   ALA  89          HB1       ALA  89   0.790  -6.671  -1.624
  691   2HB   ALA  89          HB2       ALA  89   1.276  -4.958  -1.638
  692   3HB   ALA  89          HB3       ALA  89   0.820  -5.749  -0.112
  693    H    PHE  90           H        PHE  90  -0.290  -2.911  -2.298
  694    HA   PHE  90           HA       PHE  90  -0.711  -1.218  -0.077
  695   1HB   PHE  90          HB2       PHE  90   0.410  -0.361  -1.996
  696   2HB   PHE  90          HB3       PHE  90  -0.913  -0.759  -3.071
  697    HD1  PHE  90           HD1      PHE  90  -0.408   1.295   0.092
  698    HD2  PHE  90           HD2      PHE  90  -2.174   1.114  -3.871
  699    HE1  PHE  90           HE1      PHE  90  -1.110   3.621   0.279
  700    HE2  PHE  90           HE2      PHE  90  -2.879   3.443  -3.616
  701    HZ   PHE  90           HZ       PHE  90  -2.397   4.706  -1.541
  702    H    ILE  91           H        ILE  91  -2.995  -2.011  -2.759
  703    HA   ILE  91           HA       ILE  91  -5.268  -0.733  -1.700
  704    HB   ILE  91           HB       ILE  91  -5.041  -3.147  -3.524
  705   1HG1  ILE  91          2HG1      ILE  91  -5.823  -0.245  -4.086
  706   2HG1  ILE  91          3HG1      ILE  91  -4.189  -0.869  -4.297
  707   1HG2  ILE  91          1HG2      ILE  91  -7.464  -2.763  -4.061
  708   2HG2  ILE  91          2HG2      ILE  91  -7.275  -3.275  -2.406
  709   3HG2  ILE  91          3HG2      ILE  91  -7.534  -1.555  -2.759
  710   1HD1  ILE  91          1HD1      ILE  91  -5.044  -2.482  -6.009
  711   2HD1  ILE  91          2HD1      ILE  91  -6.642  -1.706  -5.870
  712   3HD1  ILE  91          3HD1      ILE  91  -5.259  -0.779  -6.429
  713    H    LYS  92           H        LYS  92  -4.357  -4.191  -1.280
  714    HA   LYS  92           HA       LYS  92  -6.450  -4.843   0.477
  715   1HB   LYS  92          HB2       LYS  92  -4.875  -6.474  -0.697
  716   2HB   LYS  92          HB3       LYS  92  -3.652  -6.062   0.481
  717   1HG   LYS  92          HG2       LYS  92  -4.724  -8.104   1.172
  718   2HG   LYS  92          HG3       LYS  92  -5.144  -6.828   2.321
  719   1HD   LYS  92          HD2       LYS  92  -7.088  -8.262   1.824
  720   2HD   LYS  92          HD3       LYS  92  -7.400  -6.615   1.264
  721   1HE   LYS  92          HE2       LYS  92  -6.771  -7.289  -1.043
  722   2HE   LYS  92          HE3       LYS  92  -6.378  -8.921  -0.464
  723   1HZ   LYS  92          HZ1       LYS  92  -9.062  -7.710  -0.581
  724   2HZ   LYS  92          HZ2       LYS  92  -8.469  -8.932  -1.443
  725   3HZ   LYS  92          HZ3       LYS  92  -8.722  -9.130   0.167
  726    H    GLN  93           H        GLN  93  -3.065  -4.006   1.439
  727    HA   GLN  93           HA       GLN  93  -3.680  -4.157   4.188
  728   1HB   GLN  93          HB2       GLN  93  -1.312  -3.950   2.797
  729   2HB   GLN  93          HB3       GLN  93  -1.436  -2.329   3.449
  730   1HG   GLN  93          HG2       GLN  93  -1.076  -4.979   4.818
  731   2HG   GLN  93          HG3       GLN  93  -0.156  -3.496   5.015
  732   1HE2  GLN  93          2HE2      GLN  93  -1.733  -1.589   6.155
  733   2HE2  GLN  93          1HE2      GLN  93  -2.636  -2.306   7.489
  734    H    ARG  94           H        ARG  94  -3.701  -1.265   1.966
  735    HA   ARG  94           HA       ARG  94  -4.360   0.610   4.033
  736   1HB   ARG  94          HB2       ARG  94  -5.000   0.566   1.058
  737   2HB   ARG  94          HB3       ARG  94  -5.535   1.865   2.106
  738   1HG   ARG  94          HG2       ARG  94  -2.625   1.094   1.616
  739   2HG   ARG  94          HG3       ARG  94  -3.492   2.481   0.944
  740   1HD   ARG  94          HD2       ARG  94  -2.720   1.913   3.832
  741   2HD   ARG  94          HD3       ARG  94  -2.071   3.188   2.802
  742    HE   ARG  94           HE       ARG  94  -4.428   3.406   4.474
  743   1HH1  ARG  94          1HH2      ARG  94  -3.478   4.412   1.243
  744   2HH1  ARG  94          2HH2      ARG  94  -4.633   5.752   1.383
  745   1HH2  ARG  94          1HH1      ARG  94  -5.785   5.213   4.449
  746   2HH2  ARG  94          2HH1      ARG  94  -5.750   6.097   2.939
  747    H    THR  95           H        THR  95  -6.438  -1.469   2.044
  748    HA   THR  95           HA       THR  95  -8.875  -0.571   3.241
  749    HB   THR  95           HB       THR  95  -8.700  -3.464   2.411
  750    HG1  THR  95           HG1      THR  95  -7.644  -2.221   0.665
  751   1HG2  THR  95          1HG2      THR  95 -10.619  -1.170   1.799
  752   2HG2  THR  95          2HG2      THR  95 -10.942  -2.896   1.522
  753   3HG2  THR  95          3HG2      THR  95 -10.842  -2.262   3.183
  754    H    ALA  96           H        ALA  96  -6.660  -3.240   4.217
  755    HA   ALA  96           HA       ALA  96  -8.045  -4.088   6.533
  756   1HB   ALA  96          HB1       ALA  96  -6.177  -5.301   5.481
  757   2HB   ALA  96          HB2       ALA  96  -5.045  -4.078   6.079
  758   3HB   ALA  96          HB3       ALA  96  -5.955  -5.068   7.235
  759    H    LYS  97           H        LYS  97  -5.399  -1.735   6.350
  760    HA   LYS  97           HA       LYS  97  -5.290  -0.655   8.946
  761   1HB   LYS  97          HB2       LYS  97  -3.607   0.215   7.664
  762   2HB   LYS  97          HB3       LYS  97  -4.557   0.169   6.194
  763   1HG   LYS  97          HG2       LYS  97  -3.952   2.417   6.535
  764   2HG   LYS  97          HG3       LYS  97  -5.673   2.283   6.775
  765   1HD   LYS  97          HD2       LYS  97  -5.186   2.173   9.297
  766   2HD   LYS  97          HD3       LYS  97  -3.510   2.582   8.893
  767   1HE   LYS  97          HE2       LYS  97  -4.289   4.667   7.796
  768   2HE   LYS  97          HE3       LYS  97  -5.971   4.222   8.148
  769   1HZ   LYS  97          HZ1       LYS  97  -3.851   4.942  10.049
  770   2HZ   LYS  97          HZ2       LYS  97  -5.267   5.707   9.832
  771   3HZ   LYS  97          HZ3       LYS  97  -5.255   4.226  10.541
  772    H    TYR  98           H        TYR  98  -7.435   0.386   6.251
  773    HA   TYR  98           HA       TYR  98  -8.923   2.179   7.883
  774   1HB   TYR  98          HB2       TYR  98  -9.545   0.746   5.301
  775   2HB   TYR  98          HB3       TYR  98 -10.710   1.807   6.093
  776    HD1  TYR  98           HD1      TYR  98  -9.047   4.062   7.059
  777    HD2  TYR  98           HD2      TYR  98  -8.960   1.890   3.333
  778    HE1  TYR  98           HE1      TYR  98  -8.322   6.096   5.882
  779    HE2  TYR  98           HE2      TYR  98  -8.360   3.897   2.133
  780    HH   TYR  98           HH       TYR  98  -8.226   6.376   2.353
  781    H    VAL  99           H        VAL  99  -9.968  -1.219   6.914
  782    HA   VAL  99           HA       VAL  99 -12.333  -0.922   8.443
  783    HB   VAL  99           HB       VAL  99 -12.658  -3.336   8.340
  784   1HG1  VAL  99          1HG1      VAL  99 -13.311  -2.044   6.409
  785   2HG1  VAL  99          2HG1      VAL  99 -11.668  -2.090   5.729
  786   3HG1  VAL  99          3HG1      VAL  99 -12.623  -3.568   5.865
  787   1HG2  VAL  99          1HG2      VAL  99 -11.106  -4.869   7.387
  788   2HG2  VAL  99          2HG2      VAL  99  -9.960  -3.548   7.023
  789   3HG2  VAL  99          3HG2      VAL  99 -10.293  -4.048   8.710
  790    H    ALA 100           H        ALA 100  -9.124  -1.768   9.587
  791    HA   ALA 100           HA       ALA 100 -10.061  -2.451  12.264
  792   1HB   ALA 100          HB1       ALA 100  -8.076  -3.516  11.189
  793   2HB   ALA 100          HB2       ALA 100  -7.272  -1.931  11.136
  794   3HB   ALA 100          HB3       ALA 100  -7.642  -2.706  12.694
  795    H    ASN 101           H        ASN 101 -10.014   0.486  10.798
  796    HA   ASN 101           HA       ASN 101  -9.542   1.962  13.378
  797   1HB   ASN 101          HB2       ASN 101  -8.741   2.741  10.532
  798   2HB   ASN 101          HB3       ASN 101  -8.870   3.889  11.857
  799   1HD2  ASN 101          2HD2      ASN 101  -7.589   0.971  13.179
  800   2HD2  ASN 101          1HD2      ASN 101  -5.920   1.503  13.067
  801    H    GLN 102           H        GLN 102 -11.285   1.876  10.317
  802    HA   GLN 102           HA       GLN 102 -13.718   3.090  11.449
  803   1HB   GLN 102          HB2       GLN 102 -12.327   3.865   8.852
  804   2HB   GLN 102          HB3       GLN 102 -13.968   4.328   9.265
  805   1HG   GLN 102          HG2       GLN 102 -11.470   5.149  10.840
  806   2HG   GLN 102          HG3       GLN 102 -12.283   6.132   9.644
  807   1HE2  GLN 102          1HE2      GLN 102 -12.673   4.722  12.937
  808   2HE2  GLN 102          2HE2      GLN 102 -13.940   5.898  13.344
  809    HA   PRO 103           HA       PRO 103 -14.011  -1.085   9.628
  810   1HB   PRO 103          HB2       PRO 103 -16.439  -1.860  10.706
  811   2HB   PRO 103          HB3       PRO 103 -14.826  -2.023  11.440
  812   1HG   PRO 103          HG2       PRO 103 -16.860   0.159  11.933
  813   2HG   PRO 103          HG3       PRO 103 -15.839  -0.708  13.116
  814   1HD   PRO 103          HD2       PRO 103 -15.241   1.757  12.192
  815   2HD   PRO 103          HD3       PRO 103 -13.932   0.578  12.500
  816    H    GLY 104           H        GLY 104 -17.261   0.615   9.443
  817   1HA   GLY 104          HA2       GLY 104 -18.196   1.565   7.532
  818   2HA   GLY 104          HA3       GLY 104 -16.885   0.920   6.534
  819    H    MET 105           H        MET 105 -16.918  -1.695   6.850
  820    HA   MET 105           HA       MET 105 -19.416  -2.782   5.795
  821   1HB   MET 105          HB2       MET 105 -18.258  -4.965   6.003
  822   2HB   MET 105          HB3       MET 105 -17.398  -3.777   5.059
  823   1HG   MET 105          HG2       MET 105 -15.809  -4.973   6.332
  824   2HG   MET 105          HG3       MET 105 -15.864  -3.331   6.951
  825   1HE   MET 105          HE1       MET 105 -14.930  -4.979  10.260
  826   2HE   MET 105          HE2       MET 105 -14.239  -5.175   8.643
  827   3HE   MET 105          HE3       MET 105 -14.769  -3.566   9.209
  828    H    GLN 106           H        GLN 106 -18.492  -1.863   8.870
  829    HA   GLN 106           HA       GLN 106 -20.793  -2.917  10.202
  830   1HB   GLN 106          HB2       GLN 106 -19.132  -4.682  10.663
  831   2HB   GLN 106          HB3       GLN 106 -17.960  -3.493  11.218
  832   1HG   GLN 106          HG2       GLN 106 -20.635  -3.595  12.636
  833   2HG   GLN 106          HG3       GLN 106 -19.547  -4.945  12.862
  834   1HE2  GLN 106          2HE2      GLN 106 -19.685  -1.381  13.223
  835   2HE2  GLN 106          1HE2      GLN 106 -18.500  -1.352  14.544