*HEADER    HORMONE                                 11-SEP-07   2JV1              
*TITLE     NMR STRUCTURE OF HUMAN INSULIN MONOMER IN 35% CD3CN ZINC              
*TITLE    2 FREE, 50 STRUCTURES                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSULIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: INSULIN A CHAIN: RESIDUES 90-110;                          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: INSULIN;                                                   
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 FRAGMENT: INSULIN B CHAIN: RESIDUES 25-54;                           
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: INS;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   9 GENE: INS;                                                           
*SOURCE  10 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*KEYWDS    NMR, HUMAN INSULIN, 35% CD3CN, MONOMER, CARBOHYDRATE                  
*KEYWDS   2 METABOLISM, CLEAVAGE ON PAIR OF BASIC RESIDUES, DIABETES             
*KEYWDS   3 MELLITUS, DISEASE MUTATION, GLUCOSE METABOLISM, HORMONE,             
*KEYWDS   4 PHARMACEUTICAL, SECRETED                                             
*EXPDTA    NMR, 50 STRUCTURES                                                    
*AUTHOR    W.BOCIAN, L.KOZERSKI                                                  
*REVDAT   1   11-DEC-07 2JV1    0                                                


#
#   5 GLN  H       5 GLN  HB2     3.01             (#peak    12)
 &rst
  ixpk= 12, nxpk= 0, iat=  61,  65, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   5 GLN  H       5 GLN  HB3     3.01             (#peak    13)
 &rst
  ixpk= 13, nxpk= 0, iat=  61,  66, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   7 CYSS H       7 CYSS HB3     3.37             (#peak    18)
 &rst
  ixpk= 18, nxpk= 0, iat=  88,  93, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  10 ILE  H      10 ILE  HB      3.84             (#peak    22)
 &rst
  ixpk= 22, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  11 CYSS H      11 CYSS HB3     3.66             (#peak   921)
 &rst
  ixpk= 921, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  13 LEU  H      13 LEU  HB3     3.54             (#peak    27)
 &rst
  ixpk= 27, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  14 TYR  H      14 TYR  HA      2.87             (#peak    31)
 &rst
  ixpk= 31, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  14 TYR  H      14 TYR  HB3     3.34             (#peak    32) WB
 &rst
  ixpk= 32, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  14 TYR  H      14 TYR  HB2     3.34             (#peak    33) WB
 &rst
  ixpk= 33, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  15 GLN  H      15 GLN  HB3     3.55             (#peak    37) WB
 &rst
  ixpk= 37, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  17 GLU  H      17 GLU  HB3     3.12             (#peak    46)
 &rst
  ixpk= 46, nxpk= 0, iat= 239, 244, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  20 CYSS H      20 CYSS HB3     3.95             (#peak    56)
 &rst
  ixpk= 56, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  21 ASN  H      21 ASN  HB3     3.73             (#peak   536)
 &rst
  ixpk= 536, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 103 ASN  H     103 ASN  HB2     3.37             (#peak    62) WB
 &rst
  ixpk= 62, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 103 ASN  H     103 ASN  HB3     3.37             (#peak    63) WB
 &rst
  ixpk= 63, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.17,  &end
#
# 106 LEU  H     106 LEU  HB2     3.80             (#peak    73)
 &rst
  ixpk= 73, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 106 LEU  H     106 LEU  HB3     3.80             (#peak   583)
 &rst
  ixpk= 583, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 115 LEU  H     115 LEU  HA      2.94             (#peak    89)
 &rst
  ixpk= 89, nxpk= 0, iat= 524, 526, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 122 ARG  H     122 ARG  HA      2.80             (#peak   101) WB
 &rst
  ixpk= 101, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 125 PHE  H     125 PHE  HB2     3.95             (#peak   113)
 &rst
  ixpk= 113, nxpk= 0, iat= 682, 686, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 125 PHE  H     125 PHE  HB3     3.95             (#peak   114)
 &rst
  ixpk= 114, nxpk= 0, iat= 682, 687, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 126 TYR  H     126 TYR  HA      2.80             (#peak   115) WB
 &rst
  ixpk= 115, nxpk= 0, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 127 THR  H     127 THR  HB      3.77             (#peak   120)
 &rst
  ixpk= 120, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   9 SER  HA     10 ILE  H       3.12             (#peak   125)
 &rst
  ixpk= 125, nxpk= 0, iat= 114, 123, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  14 TYR  HA     15 GLN  H       3.48             (#peak   126)
 &rst
  ixpk= 126, nxpk= 0, iat= 184, 203, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  20 CYSS HA     21 ASN  H       3.01             (#peak   127)
 &rst
  ixpk= 127, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   2 ILE  HB      3 VAL  H       4.74             (#peak  1226)
 &rst
  ixpk= 1226, nxpk= 0, iat=  15,  30, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   3 VAL  H       3 VAL  HB      2.98             (#peak   507)
 &rst
  ixpk= 507, nxpk= 0, iat=  30,  34, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#   3 VAL  HB      4 GLU  H       3.26             (#peak   697)
 &rst
  ixpk= 697, nxpk= 0, iat=  34,  46, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  11 CYSS HB2    12 SER  H       3.66             (#peak   189)
 &rst
  ixpk= 189, nxpk= 0, iat= 146, 152, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  12 SER  HA     13 LEU  H       2.76             (#peak   191)
 &rst
  ixpk= 191, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#  14 TYR  HB2    15 GLN  H       3.80             (#peak   194) WB
 &rst
  ixpk= 194, nxpk= 0, iat= 186, 203, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  14 TYR  HB3    15 GLN  H       3.80             (#peak   195)
 &rst
  ixpk= 195, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  19 TYR  HB3    20 CYSS H       4.27             (#peak   199)
 &rst
  ixpk= 199, nxpk= 0, iat= 273, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 102 VAL  HA    103 ASN  H       2.65             (#peak   200)
 &rst
  ixpk= 200, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 103 ASN  HA    104 GLN  H       2.65             (#peak   203)
 &rst
  ixpk= 203, nxpk= 0, iat= 354, 366, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 103 ASN  HB3   104 GLN  H       4.06             (#peak   694)
 &rst
  ixpk= 694, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 104 GLN  HB3   105 HIS  H       3.44             (#peak   208)
 &rst
  ixpk= 208, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 104 GLN  HB2   105 HIS  H       3.84             (#peak   209)
 &rst
  ixpk= 209, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 104 GLN  HA    105 HIS  H       2.83             (#peak   210)
 &rst
  ixpk= 210, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 105 HIS  HB2   106 LEU  H       4.49             (#peak   211)
 &rst
  ixpk= 211, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 109 SER  QB    110 HIS  H       4.65             (#peak   213)
 &rst
  ixpk= 213, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 440, 441,
 &end
#
# 113 GLU  HB3   114 ALA  H       3.48             (#peak   217)
 &rst
  ixpk= 217, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 115 LEU  HB3   116 TYR  H       3.52             (#peak   221)
 &rst
  ixpk= 221, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 118 VAL  HA    119 CYSS H       3.55             (#peak   222)
 &rst
  ixpk= 222, nxpk= 0, iat= 585, 599, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 118 VAL  HB    119 CYSS H       3.05             (#peak   223)
 &rst
  ixpk= 223, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 119 CYSS HA    120 GLY  H       3.37             (#peak   224) WB
 &rst
  ixpk= 224, nxpk= 0, iat= 601, 609, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 119 CYSS HB2   120 GLY  H       4.34             (#peak   225)
 &rst
  ixpk= 225, nxpk= 0, iat= 603, 609, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 119 CYSS HB3   120 GLY  H       4.34             (#peak   226)
 &rst
  ixpk= 226, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 123 GLY  HA2   124 PHE  H       3.30             (#peak   230)
 &rst
  ixpk= 230, nxpk= 0, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 123 GLY  HA3   124 PHE  H       3.30             (#peak   231)
 &rst
  ixpk= 231, nxpk= 0, iat= 658, 662, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 124 PHE  HA    125 PHE  H       3.01             (#peak   232)
 &rst
  ixpk= 232, nxpk= 0, iat= 664, 682, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  19 TYR  H      19 TYR  HB3     3.52             (#peak   237)
 &rst
  ixpk= 237, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  20 CYSS H      20 CYSS HB2     3.95             (#peak   246)
 &rst
  ixpk= 246, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  18 ASN  H      18 ASN  HB2     3.30             (#peak    48)
 &rst
  ixpk= 48, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  18 ASN  H      18 ASN  HB3     3.30             (#peak   248)
 &rst
  ixpk= 248, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  17 GLU  HB2    18 ASN  H       4.13             (#peak   251)
 &rst
  ixpk= 251, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  17 GLU  HB3    18 ASN  H       4.13             (#peak   252)
 &rst
  ixpk= 252, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 112 VAL  H     112 VAL  HB      3.16             (#peak    84)
 &rst
  ixpk= 84, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  13 LEU  HB3    14 TYR  H       3.73             (#peak   192)
 &rst
  ixpk= 192, nxpk= 0, iat= 168, 182, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  13 LEU  HB2    14 TYR  H       3.73             (#peak   256)
 &rst
  ixpk= 256, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 111 LEU  HB3   112 VAL  H       3.77             (#peak   258)
 &rst
  ixpk= 258, nxpk= 0, iat= 469, 483, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 112 VAL  HA    113 GLU  H       3.55             (#peak   215)
 &rst
  ixpk= 215, nxpk= 0, iat= 485, 499, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 122 ARG  HA    122 ARG  HB2     2.90             (#peak   320) WB
 &rst
  ixpk= 320, nxpk= 0, iat= 633, 635, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 122 ARG  HA    122 ARG  HB3     2.90             (#peak   321)
 &rst
  ixpk= 321, nxpk= 0, iat= 633, 636, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   2 ILE  H       3 VAL  H       3.44             (#peak   338)
 &rst
  ixpk= 338, nxpk= 0, iat=  11,  30, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   7 CYSS H       8 THR  H       2.69             (#peak   340)
 &rst
  ixpk= 340, nxpk= 0, iat=  88,  98, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#   8 THR  H       9 SER  H       3.08             (#peak   341)
 &rst
  ixpk= 341, nxpk= 0, iat=  98, 112, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   9 SER  H      10 ILE  H       4.34             (#peak   343)
 &rst
  ixpk= 343, nxpk= 0, iat= 112, 123, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  11 CYSS H      12 SER  H       4.60             (#peak   344)
 &rst
  ixpk= 344, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  13 LEU  H      14 TYR  H       3.16             (#peak   346)
 &rst
  ixpk= 346, nxpk= 0, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  15 GLN  H      16 LEU  H       2.98             (#peak   348)
 &rst
  ixpk= 348, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  17 GLU  H      18 ASN  H       2.98             (#peak   349)
 &rst
  ixpk= 349, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 105 HIS  H     106 LEU  H       4.63             (#peak   351)
 &rst
  ixpk= 351, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 106 LEU  H     107 CYSS H       3.88             (#peak   353) WB
 &rst
  ixpk= 353, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 107 CYSS H     108 GLY  H       4.31             (#peak   355)
 &rst
  ixpk= 355, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 109 SER  H     110 HIS  H       3.26             (#peak   357)
 &rst
  ixpk= 357, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 110 HIS  H     111 LEU  H       2.94             (#peak   359)
 &rst
  ixpk= 359, nxpk= 0, iat= 447, 464, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 112 VAL  H     113 GLU  H       3.16             (#peak   362)
 &rst
  ixpk= 362, nxpk= 0, iat= 483, 499, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 113 GLU  H     114 ALA  H       2.83             (#peak   364)
 &rst
  ixpk= 364, nxpk= 0, iat= 499, 514, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 114 ALA  H     115 LEU  H       2.94             (#peak   365)
 &rst
  ixpk= 365, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 117 LEU  H     118 VAL  H       3.12             (#peak   368)
 &rst
  ixpk= 368, nxpk= 0, iat= 564, 583, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 116 TYR  H     117 LEU  H       2.94             (#peak   369)
 &rst
  ixpk= 369, nxpk= 0, iat= 543, 564, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 118 VAL  H     119 CYSS H       2.98             (#peak   371)
 &rst
  ixpk= 371, nxpk= 0, iat= 583, 599, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 119 CYSS H     120 GLY  H       2.94             (#peak   373)
 &rst
  ixpk= 373, nxpk= 0, iat= 599, 609, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
# 121 GLU  H     122 ARG  H       2.98             (#peak   376)
 &rst
  ixpk= 376, nxpk= 0, iat= 616, 631, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 124 PHE  H     125 PHE  H       4.31             (#peak   377) WB
 &rst
  ixpk= 377, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 125 PHE  H     126 TYR  H       4.31             (#peak   379) WB
 &rst
  ixpk= 379, nxpk= 0, iat= 682, 702, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  12 SER  H      15 GLN  H       3.80             (#peak   380)
 &rst
  ixpk= 380, nxpk= 0, iat= 152, 203, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  13 LEU  H      16 LEU  H       4.74             (#peak   383)
 &rst
  ixpk= 383, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 108 GLY  H     111 LEU  H       5.10             (#peak   384)
 &rst
  ixpk= 384, nxpk= 0, iat= 429, 464, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 109 SER  H     112 VAL  H       5.89             (#peak   385)
 &rst
  ixpk= 385, nxpk= 0, iat= 436, 483, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,  &end
#
#  13 LEU  HA     16 LEU  HB2     4.09             (#peak   449)
 &rst
  ixpk= 449, nxpk= 0, iat= 165, 224, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  13 LEU  HA     16 LEU  HB3     4.09             (#peak   451)
 &rst
  ixpk= 451, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 110 HIS  HA    113 GLU  HB3     4.16             (#peak   456)
 &rst
  ixpk= 456, nxpk= 0, iat= 449, 504, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 110 HIS  HA    113 GLU  HB2     4.16             (#peak   457)
 &rst
  ixpk= 457, nxpk= 0, iat= 449, 503, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 113 GLU  HA    116 TYR  QB      4.22             (#peak   459)
 &rst
  ixpk= 459, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 547, 548,
 &end
#
# 115 LEU  HA    118 VAL  HB      3.88             (#peak   460)
 &rst
  ixpk= 460, nxpk= 0, iat= 526, 587, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   3 VAL  HA      7 CYSS H       4.81             (#peak   462)
 &rst
  ixpk= 462, nxpk= 0, iat=  32,  88, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  12 SER  HA     14 TYR  H       4.96             (#peak   463)
 &rst
  ixpk= 463, nxpk= 0, iat= 154, 182, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  12 SER  H      15 GLN  HB2     3.95             (#peak   475)
 &rst
  ixpk= 475, nxpk= 0, iat= 152, 207, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 112 VAL  HA    116 TYR  H       4.31             (#peak   485)
 &rst
  ixpk= 485, nxpk= 0, iat= 485, 543, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 112 VAL  HA    115 LEU  H       4.02             (#peak   487)
 &rst
  ixpk= 487, nxpk= 0, iat= 485, 524, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 117 LEU  HA    119 CYSS H       4.24             (#peak   489) WB
 &rst
  ixpk= 489, nxpk= 0, iat= 566, 599, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 115 LEU  HA    119 CYSS H       4.02             (#peak   490)
 &rst
  ixpk= 490, nxpk= 0, iat= 526, 599, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 116 TYR  HA    119 CYSS H       3.95             (#peak   491)
 &rst
  ixpk= 491, nxpk= 0, iat= 545, 599, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 119 CYSS H     120 GLY  QA      5.15             (#peak   492)
 &rst
  ixpk= 492, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 611, 612,
 &end
#
# 115 LEU  HB2   116 TYR  H       3.52             (#peak   220) WB
 &rst
  ixpk= 220, nxpk= 0, iat= 528, 543, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 102 VAL  H     102 VAL  HB      3.95             (#peak   508)
 &rst
  ixpk= 508, nxpk= 0, iat= 336, 340, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 101 PHE  HA    102 VAL  H       3.69             (#peak   512)
 &rst
  ixpk= 512, nxpk= 0, iat= 318, 336, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 108 GLY  HA2   109 SER  H       3.44             (#peak   530)
 &rst
  ixpk= 530, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  18 ASN  HB2    19 TYR  H       4.16             (#peak   198)
 &rst
  ixpk= 198, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  18 ASN  HB3    19 TYR  H       4.16             (#peak   534)
 &rst
  ixpk= 534, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 117 LEU  HA    118 VAL  H       3.48             (#peak   547)
 &rst
  ixpk= 547, nxpk= 0, iat= 566, 583, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  11 CYSS HA     12 SER  H       2.76             (#peak   548)
 &rst
  ixpk= 548, nxpk= 0, iat= 144, 152, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 107 CYSS HA    108 GLY  H       2.80             (#peak   549)
 &rst
  ixpk= 549, nxpk= 0, iat= 421, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 117 LEU  HB3   118 VAL  H       3.97             (#peak   550)
 &rst
  ixpk= 550, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 117 LEU  HB2   118 VAL  H       3.37             (#peak   554)
 &rst
  ixpk= 554, nxpk= 0, iat= 568, 583, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 107 CYSS HB3   108 GLY  H       3.59             (#peak   558)
 &rst
  ixpk= 558, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 107 CYSS HB2   108 GLY  H       3.59             (#peak   557) WB
 &rst
  ixpk= 557, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 119 CYSS H     119 CYSS HB3     3.74             (#peak    97)
 &rst
  ixpk= 97, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 119 CYSS H     119 CYSS HB2     3.34             (#peak    96)
 &rst
  ixpk= 96, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 105 HIS  H     105 HIS  HB3     3.34             (#peak    70) WB
 &rst
  ixpk= 70, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 105 HIS  H     105 HIS  HB2     3.34             (#peak   212)
 &rst
  ixpk= 212, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  12 SER  H      16 LEU  H       4.16             (#peak   596) WB
 &rst
  ixpk= 596, nxpk= 0, iat= 152, 220, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 118 VAL  H     120 GLY  H       3.91             (#peak   598) WB
 &rst
  ixpk= 598, nxpk= 0, iat= 583, 609, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.71,  &end
#
#   7 CYSS HA    106 LEU  H       3.12             (#peak   606)
 &rst
  ixpk= 606, nxpk= 0, iat=  90, 400, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   6 CYSS HA     11 CYSS H       3.91             (#peak   607)
 &rst
  ixpk= 607, nxpk= 0, iat=  80, 142, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  10 ILE  HA     11 CYSS H       3.01             (#peak   608)
 &rst
  ixpk= 608, nxpk= 0, iat= 125, 142, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 116 TYR  QB    117 LEU  H       4.61             (#peak   610)
 &rst
  ixpk= 610, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 547, 548,
 &end
#
# 110 HIS  H     110 HIS  HB2     3.70             (#peak    80)
 &rst
  ixpk= 80, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 TYR  H     116 TYR  QB      3.93             (#peak    94)
 &rst
  ixpk= 94, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 547, 548,
 &end
#
# 116 TYR  HA    117 LEU  H       3.52             (#peak   618)
 &rst
  ixpk= 618, nxpk= 0, iat= 545, 564, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 106 LEU  HA    107 CYSS H       2.69             (#peak   619)
 &rst
  ixpk= 619, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 110 HIS  HB2   111 LEU  H       4.20             (#peak   634)
 &rst
  ixpk= 634, nxpk= 0, iat= 451, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  13 LEU  H      13 LEU  HB2     3.34             (#peak   636)
 &rst
  ixpk= 636, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 115 LEU  HA    118 VAL  H       4.16             (#peak   638)
 &rst
  ixpk= 638, nxpk= 0, iat= 526, 583, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  21 ASN  H     124 PHE  HA      3.84             (#peak   639)
 &rst
  ixpk= 639, nxpk= 0, iat= 299, 664, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   2 ILE  H       2 ILE  HB      3.55             (#peak   645) WB
 &rst
  ixpk= 645, nxpk= 0, iat=  11,  15, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 118 VAL  H     118 VAL  HB      2.94             (#peak    99)
 &rst
  ixpk= 99, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  12 SER  H      15 GLN  HB3     3.95             (#peak   658)
 &rst
  ixpk= 658, nxpk= 0, iat= 152, 208, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  13 LEU  H      14 TYR  HA      5.35             (#peak   660)
 &rst
  ixpk= 660, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 116 TYR  HA    118 VAL  H       4.70             (#peak   661)
 &rst
  ixpk= 661, nxpk= 0, iat= 545, 583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   3 VAL  H     128 PRO  HA      3.98             (#peak   666)
 &rst
  ixpk= 666, nxpk= 0, iat=  30, 747, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 103 ASN  H     104 GLN  HA      5.53             (#peak   667)
 &rst
  ixpk= 667, nxpk= 0, iat= 352, 368, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 107 CYSS HA    111 LEU  HB3     4.63             (#peak   675)
 &rst
  ixpk= 675, nxpk= 0, iat= 421, 469, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   4 GLU  HA      5 GLN  H       3.48             (#peak   679) WB
 &rst
  ixpk= 679, nxpk= 0, iat=  48,  61, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   7 CYSS H       7 CYSS HB2     3.37             (#peak    17)
 &rst
  ixpk= 17, nxpk= 0, iat=  88,  92, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 103 ASN  HB2   104 GLN  H       4.06             (#peak   695)
 &rst
  ixpk= 695, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   6 CYSS HB2     7 CYSS H       3.80             (#peak   182) WB
 &rst
  ixpk= 182, nxpk= 0, iat=  82,  88, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 VAL  HB    103 ASN  H       3.88             (#peak   201) WB
 &rst
  ixpk= 201, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.53,  &end
#
#  16 LEU  H      16 LEU  HB2     3.30             (#peak   700)
 &rst
  ixpk= 700, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  16 LEU  H      16 LEU  HB3     3.70             (#peak   701)
 &rst
  ixpk= 701, nxpk= 0, iat= 220, 225, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 122 ARG  H     122 ARG  HB2     3.48             (#peak   103)
 &rst
  ixpk= 103, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 122 ARG  H     122 ARG  HB3     3.48             (#peak   710) WB
 &rst
  ixpk= 710, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 117 LEU  H     117 LEU  HB3     3.48             (#peak   711) WB
 &rst
  ixpk= 711, nxpk= 0, iat= 564, 569, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 111 LEU  HB2   112 VAL  H       3.77             (#peak   715) WB
 &rst
  ixpk= 715, nxpk= 0, iat= 468, 483, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.43,  &end
#
# 111 LEU  H     111 LEU  HB2     3.44             (#peak   716)
 &rst
  ixpk= 716, nxpk= 0, iat= 464, 468, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 111 LEU  H     111 LEU  HB3     3.44             (#peak   718)
 &rst
  ixpk= 718, nxpk= 0, iat= 464, 469, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 110 HIS  HB3   111 LEU  H       4.20             (#peak   719)
 &rst
  ixpk= 719, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  13 LEU  HB3    14 TYR  HA      4.67             (#peak   734) WB
 &rst
  ixpk= 734, nxpk= 0, iat= 168, 184, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  13 LEU  HB2    14 TYR  HA      4.67             (#peak   735)
 &rst
  ixpk= 735, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   6 CYSS H       6 CYSS HB2     3.52             (#peak    14)
 &rst
  ixpk= 14, nxpk= 0, iat=  78,  82, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 110 HIS  H     110 HIS  HB3     3.70             (#peak   760)
 &rst
  ixpk= 760, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 SER  HA     15 GLN  H       4.34             (#peak   762) WB
 &rst
  ixpk= 762, nxpk= 0, iat= 154, 203, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 109 SER  HA    112 VAL  H       4.34             (#peak   769)
 &rst
  ixpk= 769, nxpk= 0, iat= 438, 483, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 101 PHE  HB2   102 VAL  H       4.70             (#peak   665)
 &rst
  ixpk= 665, nxpk= 0, iat= 320, 336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 101 PHE  HB3   102 VAL  H       4.70             (#peak   777)
 &rst
  ixpk= 777, nxpk= 0, iat= 321, 336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  21 ASN  H      21 ASN  HB2     3.73             (#peak   778)
 &rst
  ixpk= 778, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   4 GLU  HA      8 THR  H       4.16             (#peak   792)
 &rst
  ixpk= 792, nxpk= 0, iat=  48,  98, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 113 GLU  HB2   114 ALA  H       3.48             (#peak   216) WB
 &rst
  ixpk= 216, nxpk= 0, iat= 503, 514, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 121 GLU  HB2   122 ARG  H       4.52             (#peak   800)
 &rst
  ixpk= 800, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 121 GLU  HB3   122 ARG  H       4.52             (#peak   801)
 &rst
  ixpk= 801, nxpk= 0, iat= 621, 631, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 113 GLU  H     113 GLU  HB3     3.48             (#peak   802)
 &rst
  ixpk= 802, nxpk= 0, iat= 499, 504, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 113 GLU  H     113 GLU  HB2     3.48             (#peak    86)
 &rst
  ixpk= 86, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  17 GLU  H      17 GLU  HB2     3.12             (#peak    45)
 &rst
  ixpk= 45, nxpk= 0, iat= 239, 243, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 117 LEU  HA    120 GLY  H       4.16             (#peak   808)
 &rst
  ixpk= 808, nxpk= 0, iat= 566, 609, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 126 TYR  H     126 TYR  HB2     3.48             (#peak   116)
 &rst
  ixpk= 116, nxpk= 0, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 126 TYR  H     126 TYR  HB3     3.48             (#peak   817)
 &rst
  ixpk= 817, nxpk= 0, iat= 702, 707, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  11 CYSS HB3    12 SER  H       3.66             (#peak   188) WB
 &rst
  ixpk= 188, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 117 LEU  H     119 CYSS H       3.95             (#peak   851) WB
 &rst
  ixpk= 851, nxpk= 0, iat= 564, 599, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 112 VAL  HA    114 ALA  H       4.63             (#peak   794)
 &rst
  ixpk= 794, nxpk= 0, iat= 485, 514, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  13 LEU  H      15 GLN  H       3.91             (#peak   871) WB
 &rst
  ixpk= 871, nxpk= 0, iat= 163, 203, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   6 CYSS HA      7 CYSS H       3.44             (#peak   877)
 &rst
  ixpk= 877, nxpk= 0, iat=  80,  88, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   5 GLN  HA      6 CYSS H       3.44             (#peak   904)
 &rst
  ixpk= 904, nxpk= 0, iat=  63,  78, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  13 LEU  HA     16 LEU  H       3.70             (#peak   905)
 &rst
  ixpk= 905, nxpk= 0, iat= 165, 220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 TYR  HA    124 PHE  H       5.82             (#peak   906)
 &rst
  ixpk= 906, nxpk= 0, iat= 545, 662, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  &end
#
#  19 TYR  HB2    20 CYSS H       4.27             (#peak   913)
 &rst
  ixpk= 913, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  19 TYR  H      19 TYR  HB2     3.52             (#peak   915)
 &rst
  ixpk= 915, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  11 CYSS H     104 GLN  H       4.88             (#peak   916)
 &rst
  ixpk= 916, nxpk= 0, iat= 142, 366, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  10 ILE  H      11 CYSS H       4.88             (#peak   748)
 &rst
  ixpk= 748, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  11 CYSS H     105 HIS  HA      3.98             (#peak   919)
 &rst
  ixpk= 919, nxpk= 0, iat= 142, 385, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  11 CYSS H      11 CYSS HB2     4.06             (#peak    24)
 &rst
  ixpk= 24, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  10 ILE  HB     11 CYSS H       4.35             (#peak   922)
 &rst
  ixpk= 922, nxpk= 0, iat= 127, 142, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 108 GLY  HA3   109 SER  H       3.44             (#peak   531)
 &rst
  ixpk= 531, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 108 GLY  H     111 LEU  HB2     4.85             (#peak   932)
 &rst
  ixpk= 932, nxpk= 0, iat= 429, 468, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 109 SER  H     112 VAL  HB      5.78             (#peak   933)
 &rst
  ixpk= 933, nxpk= 0, iat= 436, 487, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#   7 CYSS H     106 LEU  H       5.46             (#peak   935)
 &rst
  ixpk= 935, nxpk= 0, iat=  88, 400, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 105 HIS  HA    106 LEU  H       3.37             (#peak   936)
 &rst
  ixpk= 936, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 106 LEU  H     107 CYSS HA      4.99             (#peak   937)
 &rst
  ixpk= 937, nxpk= 0, iat= 400, 421, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 105 HIS  HB3   106 LEU  H       4.49             (#peak   941)
 &rst
  ixpk= 941, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 109 SER  H     111 LEU  H       4.70             (#peak   943)
 &rst
  ixpk= 943, nxpk= 0, iat= 436, 464, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 108 GLY  H     111 LEU  HB3     4.85             (#peak   944)
 &rst
  ixpk= 944, nxpk= 0, iat= 429, 469, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   2 ILE  H       4 GLU  H       5.28             (#peak   972)
 &rst
  ixpk= 972, nxpk= 0, iat=  11,  46, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 116 TYR  H     118 VAL  H       4.38             (#peak   970)
 &rst
  ixpk= 970, nxpk= 0, iat= 543, 583, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 118 VAL  H     119 CYSS HA      5.42             (#peak   975)
 &rst
  ixpk= 975, nxpk= 0, iat= 583, 601, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#   2 ILE  H       3 VAL  HA      6.00             (#peak   976)
 &rst
  ixpk= 976, nxpk= 0, iat=  11,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 116 TYR  QB    118 VAL  H       6.05             (#peak   979)
 &rst
  ixpk= 979, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 547, 548,
 &end
#
#   7 CYSS H       9 SER  H       4.09             (#peak   983)
 &rst
  ixpk= 983, nxpk= 0, iat=  88, 112, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   4 GLU  HA      7 CYSS H       4.13             (#peak   984)
 &rst
  ixpk= 984, nxpk= 0, iat=  48,  88, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   5 GLN  HA      7 CYSS H       4.16             (#peak   985) WB
 &rst
  ixpk= 985, nxpk= 0, iat=  63,  88, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   2 ILE  HA      5 GLN  H       4.09             (#peak   986)
 &rst
  ixpk= 986, nxpk= 0, iat=  13,  61, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   1 GLY  QA      5 GLN  H       5.91             (#peak   987)
 &rst
  ixpk= 987, nxpk= 0, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=   6,   7,
 &end
#
#   3 VAL  HA      6 CYSS H       4.31             (#peak   988)
 &rst
  ixpk= 988, nxpk= 0, iat=  32,  78, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   6 CYSS H       6 CYSS HB3     3.52             (#peak   994)
 &rst
  ixpk= 994, nxpk= 0, iat=  78,  83, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   6 CYSS HB3     7 CYSS H       3.80             (#peak   991)
 &rst
  ixpk= 991, nxpk= 0, iat=  83,  88, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 107 CYSS HA    111 LEU  HB2     4.63             (#peak  1012)
 &rst
  ixpk= 1012, nxpk= 0, iat= 421, 468, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   5 GLN  HB2     6 CYSS HA      5.50             (#peak  1017) WB
 &rst
  ixpk= 1017, nxpk= 0, iat=  65,  80, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.40,  &end
#
#   5 GLN  HB3     6 CYSS HA      5.50             (#peak  1018)
 &rst
  ixpk= 1018, nxpk= 0, iat=  66,  80, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 118 VAL  HB    119 CYSS HA      4.27             (#peak  1022) WB
 &rst
  ixpk= 1022, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   9 SER  HA     10 ILE  HB      5.89             (#peak  1027)
 &rst
  ixpk= 1027, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,  &end
#
# 103 ASN  HA    104 GLN  HB3     5.64             (#peak  1037)
 &rst
  ixpk= 1037, nxpk= 0, iat= 354, 371, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 103 ASN  HA    104 GLN  HB2     5.64             (#peak  1038)
 &rst
  ixpk= 1038, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
# 103 ASN  HB2   104 GLN  HA      6.00             (#peak  1057)
 &rst
  ixpk= 1057, nxpk= 0, iat= 356, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 103 ASN  HB3   104 GLN  HA      6.00             (#peak  1058)
 &rst
  ixpk= 1058, nxpk= 0, iat= 357, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 116 TYR  HA    120 GLY  H       4.02             (#peak  1070)
 &rst
  ixpk= 1070, nxpk= 0, iat= 545, 609, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  17 GLU  HA     20 CYSS H       3.48             (#peak  1073)
 &rst
  ixpk= 1073, nxpk= 0, iat= 241, 289, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  14 TYR  HA     17 GLU  HB2     3.48             (#peak  1076)
 &rst
  ixpk= 1076, nxpk= 0, iat= 184, 243, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  14 TYR  HA     17 GLU  HB3     3.48             (#peak  1077)
 &rst
  ixpk= 1077, nxpk= 0, iat= 184, 244, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 112 VAL  HA    113 GLU  HA      5.46             (#peak  1081)
 &rst
  ixpk= 1081, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 111 LEU  HA    114 ALA  H       3.62             (#peak  1082)
 &rst
  ixpk= 1082, nxpk= 0, iat= 466, 514, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  15 GLN  HA     17 GLU  H       4.06             (#peak  1084) WB
 &rst
  ixpk= 1084, nxpk= 0, iat= 205, 239, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 117 LEU  HB2   118 VAL  HA      5.14             (#peak  1093)
 &rst
  ixpk= 1093, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 117 LEU  HB3   118 VAL  HA      5.14             (#peak  1094)
 &rst
  ixpk= 1094, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 111 LEU  HB3   112 VAL  HA      6.00             (#peak  1110)
 &rst
  ixpk= 1110, nxpk= 0, iat= 469, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 111 LEU  HB2   112 VAL  HA      6.00             (#peak  1113)
 &rst
  ixpk= 1113, nxpk= 0, iat= 468, 485, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  15 GLN  H      15 GLN  HB2     3.55             (#peak  1164)
 &rst
  ixpk= 1164, nxpk= 0, iat= 203, 207, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 112 VAL  HB    113 GLU  H       3.12             (#peak  1177)
 &rst
  ixpk= 1177, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 117 LEU  H     117 LEU  HB2     3.48             (#peak  1191)
 &rst
  ixpk= 1191, nxpk= 0, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   1 GLY  QA      3 VAL  H       6.88             (#peak  1251)
 &rst
  ixpk= 1251, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=   6,   7,
 &end
#
#  16 LEU  H      16 LEU  HG      4.27             (#peak    38)
 &rst
  ixpk= 38, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  19 TYR  H      19 TYR  QE      8.13             (#peak    53)
 &rst
  ixpk= 53, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 278, 283,
 &end
#
#  19 TYR  H      19 TYR  QD      6.47             (#peak   746)
 &rst
  ixpk= 746, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr2= 276, 285,
 &end
#
# 103 ASN  H     103 ASN  HD21    6.00             (#peak    64)
 &rst
  ixpk= 64, nxpk= 0, iat= 352, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 105 HIS  H     105 HIS  HD2     4.70             (#peak   580)
 &rst
  ixpk= 580, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 111 LEU  H     111 LEU  HG      4.45             (#peak   717)
 &rst
  ixpk= 717, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 122 ARG  H     122 ARG  QD      6.88             (#peak   102)
 &rst
  ixpk= 102, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 641, 642,
 &end
#
# 122 ARG  H     122 ARG  HE      6.00             (#peak   106)
 &rst
  ixpk= 106, nxpk= 0, iat= 631, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 104 GLN  HG3   105 HIS  H       6.00             (#peak   207)
 &rst
  ixpk= 207, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 111 LEU  HG    112 VAL  H       4.38             (#peak   214)
 &rst
  ixpk= 214, nxpk= 0, iat= 471, 483, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 111 LEU  HA    111 LEU  HG      3.77             (#peak   286)
 &rst
  ixpk= 286, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 116 TYR  H     116 TYR  QD      7.34             (#peak   305)
 &rst
  ixpk= 305, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr2= 551, 560,
 &end
#
# 122 ARG  HB3   122 ARG  HE      6.00             (#peak   437)
 &rst
  ixpk= 437, nxpk= 0, iat= 636, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 122 ARG  HB2   122 ARG  HE      6.00             (#peak   438)
 &rst
  ixpk= 438, nxpk= 0, iat= 635, 644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  13 LEU  HA     16 LEU  HG      6.00             (#peak   450)
 &rst
  ixpk= 450, nxpk= 0, iat= 165, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 LEU  HA     19 TYR  QD      5.61             (#peak   480)
 &rst
  ixpk= 480, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB2    19 TYR  QD      8.13             (#peak   482)
 &rst
  ixpk= 482, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 276, 285,
 &end
#
#  18 ASN  HB3    19 TYR  QD      8.13             (#peak   483)
 &rst
  ixpk= 483, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 276, 285,
 &end
#
# 101 PHE  HA    101 PHE  QD      8.13             (#peak   513)
 &rst
  ixpk= 513, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 324, 332,
 &end
#
# 124 PHE  HA    124 PHE  QD      7.77             (#peak   514)
 &rst
  ixpk= 514, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr2= 670, 678,
 &end
#
# 125 PHE  HA    125 PHE  QD      7.30             (#peak   521)
 &rst
  ixpk= 521, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr2= 690, 698,
 &end
#
# 116 TYR  QB    124 PHE  QE      9.01             (#peak   532)
 &rst
  ixpk= 532, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
 igr1= 547, 548,
 igr2= 672, 676,
 &end
#
# 116 TYR  HA    116 TYR  QD      7.08             (#peak   539)
 &rst
  ixpk= 539, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr2= 551, 560,
 &end
#
# 126 TYR  HA    126 TYR  QD      7.19             (#peak   542)
 &rst
  ixpk= 542, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr2= 710, 719,
 &end
#
#  19 TYR  HA     19 TYR  QD      6.33             (#peak   543)
 &rst
  ixpk= 543, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr2= 276, 285,
 &end
#
#  14 TYR  HA     14 TYR  QD      6.15             (#peak   546)
 &rst
  ixpk= 546, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr2= 190, 199,
 &end
#
# 117 LEU  HG    118 VAL  H       5.35             (#peak   553)
 &rst
  ixpk= 553, nxpk= 0, iat= 571, 583, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   8 THR  HA    105 HIS  HE1     6.00             (#peak   577)
 &rst
  ixpk= 577, nxpk= 0, iat= 100, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 106 LEU  H     106 LEU  HG      4.24             (#peak    74)
 &rst
  ixpk= 74, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 124 PHE  H     124 PHE  QD      7.84             (#peak   589)
 &rst
  ixpk= 589, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr2= 670, 678,
 &end
#
# 126 TYR  QD    127 THR  H       8.13             (#peak   591)
 &rst
  ixpk= 591, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 710, 719,
 &end
#
# 126 TYR  H     126 TYR  QD      8.13             (#peak   592)
 &rst
  ixpk= 592, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 710, 719,
 &end
#
# 124 PHE  QD    126 TYR  H       8.13             (#peak   594)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 670, 678,
 &end
#
#   9 SER  HA    105 HIS  HE1     4.60             (#peak   599)
 &rst
  ixpk= 599, nxpk= 0, iat= 114, 393, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  10 ILE  H     105 HIS  HE1     6.00             (#peak   601)
 &rst
  ixpk= 601, nxpk= 0, iat= 123, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 116 TYR  HA    124 PHE  QD      8.09             (#peak   620)
 &rst
  ixpk= 620, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2= 670, 678,
 &end
#
# 115 LEU  HB3   124 PHE  QD      8.13             (#peak   621)
 &rst
  ixpk= 621, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 124 PHE  QD    125 PHE  H       8.13             (#peak   626)
 &rst
  ixpk= 626, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 670, 678,
 &end
#
# 125 PHE  H     125 PHE  QD      8.13             (#peak   627)
 &rst
  ixpk= 627, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 690, 698,
 &end
#
#   2 ILE  H      19 TYR  QE      8.13             (#peak   655)
 &rst
  ixpk= 655, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 278, 283,
 &end
#
# 126 TYR  QE    128 PRO  HA      8.13             (#peak   690)
 &rst
  ixpk= 690, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 712, 717,
 &end
#
# 122 ARG  H     122 ARG  QG      6.13             (#peak   105)
 &rst
  ixpk= 105, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr2= 638, 639,
 &end
#
#  14 TYR  H      14 TYR  QD      7.91             (#peak   742)
 &rst
  ixpk= 742, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 8.88, r4= 9.38,
 igr2= 190, 199,
 &end
#
#  14 TYR  QD     15 GLN  H       8.13             (#peak   743)
 &rst
  ixpk= 743, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 190, 199,
 &end
#
# 124 PHE  H     124 PHE  QE      8.13             (#peak   744)
 &rst
  ixpk= 744, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 672, 676,
 &end
#
# 125 PHE  QD    127 THR  H       8.13             (#peak   745)
 &rst
  ixpk= 745, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 690, 698,
 &end
#
# 116 TYR  H     124 PHE  QE      8.13             (#peak   747)
 &rst
  ixpk= 747, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 672, 676,
 &end
#
# 103 ASN  H     103 ASN  HD22    6.00             (#peak   750)
 &rst
  ixpk= 750, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   5 GLN  H       5 GLN  HG3     4.78             (#peak   756)
 &rst
  ixpk= 756, nxpk= 0, iat=  61,  69, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   5 GLN  H       5 GLN  HG2     4.78             (#peak   757)
 &rst
  ixpk= 757, nxpk= 0, iat=  61,  68, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 109 SER  QB    110 HIS  HD2     6.88             (#peak   763)
 &rst
  ixpk= 763, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 440, 441,
 &end
#
# 127 THR  H     128 PRO  QD      6.89             (#peak   764)
 &rst
  ixpk= 764, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr2= 738, 739,
 &end
#
#  15 GLN  H      16 LEU  HG      6.00             (#peak   765)
 &rst
  ixpk= 765, nxpk= 0, iat= 203, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 116 TYR  HA    124 PHE  QE      7.02             (#peak   767)
 &rst
  ixpk= 767, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr2= 672, 676,
 &end
#
# 123 GLY  HA2   124 PHE  QE      8.13             (#peak   771)
 &rst
  ixpk= 771, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 672, 676,
 &end
#
# 123 GLY  HA3   124 PHE  QE      8.13             (#peak   772)
 &rst
  ixpk= 772, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 672, 676,
 &end
#
#   5 GLN  HG3     6 CYSS H       6.00             (#peak   813)
 &rst
  ixpk= 813, nxpk= 0, iat=  69,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   5 GLN  HG2     6 CYSS H       6.00             (#peak   814)
 &rst
  ixpk= 814, nxpk= 0, iat=  68,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 104 GLN  HG2   105 HIS  H       6.00             (#peak   833)
 &rst
  ixpk= 833, nxpk= 0, iat= 373, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  16 LEU  HA     19 TYR  QE      8.13             (#peak   874)
 &rst
  ixpk= 874, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 278, 283,
 &end
#
#  15 GLN  HA     19 TYR  QE      7.81             (#peak   875)
 &rst
  ixpk= 875, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
 igr2= 278, 283,
 &end
#
#  18 ASN  HB3    19 TYR  QE      8.13             (#peak   887)
 &rst
  ixpk= 887, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 278, 283,
 &end
#
#  18 ASN  HB2    19 TYR  QE      8.13             (#peak   888)
 &rst
  ixpk= 888, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 278, 283,
 &end
#
#  16 LEU  HG     19 TYR  QD      8.13             (#peak   892)
 &rst
  ixpk= 892, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 276, 285,
 &end
#
#   4 GLU  H       4 GLU  HG2     5.35             (#peak     8)
 &rst
  ixpk= 8, nxpk= 0, iat=  46,  53, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   4 GLU  H       4 GLU  HG3     5.35             (#peak     9)
 &rst
  ixpk= 9, nxpk= 0, iat=  46,  54, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 104 GLN  H     104 GLN  HG2     4.67             (#peak    67)
 &rst
  ixpk= 67, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 104 GLN  H     104 GLN  HG3     4.67             (#peak    68)
 &rst
  ixpk= 68, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 113 GLU  H     113 GLU  QG      6.63             (#peak   881)
 &rst
  ixpk= 881, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr2= 506, 507,
 &end
#
# 109 SER  H     110 HIS  HD2     6.00             (#peak   925)
 &rst
  ixpk= 925, nxpk= 0, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   7 CYSS HB2   108 GLY  H       6.00             (#peak   930)
 &rst
  ixpk= 930, nxpk= 0, iat=  92, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 105 HIS  HD2   106 LEU  H       6.00             (#peak   938) WB
 &rst
  ixpk= 938, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  13 LEU  H      14 TYR  QD      8.13             (#peak   957)
 &rst
  ixpk= 957, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 190, 199,
 &end
#
# 119 CYSS H     124 PHE  QD      8.13             (#peak   959)
 &rst
  ixpk= 959, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
#  13 LEU  H      13 LEU  HG      3.41             (#peak   964)
 &rst
  ixpk= 964, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 116 TYR  QD    118 VAL  H       8.13             (#peak   974)
 &rst
  ixpk= 974, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 551, 560,
 &end
#
# 105 HIS  H     106 LEU  HG      6.00             (#peak   981)
 &rst
  ixpk= 981, nxpk= 0, iat= 383, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 103 ASN  H     104 GLN  HG2     6.00             (#peak   999)
 &rst
  ixpk= 999, nxpk= 0, iat= 352, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 103 ASN  H     104 GLN  HG3     6.00             (#peak  1000)
 &rst
  ixpk= 1000, nxpk= 0, iat= 352, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 116 TYR  H     124 PHE  QD      8.13             (#peak  1008)
 &rst
  ixpk= 1008, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 107 CYSS HA    111 LEU  HG      6.00             (#peak  1013)
 &rst
  ixpk= 1013, nxpk= 0, iat= 421, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  20 CYSS HA    124 PHE  QD      8.13             (#peak  1020)
 &rst
  ixpk= 1020, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 119 CYSS HA    122 ARG  QG      6.88             (#peak  1025)
 &rst
  ixpk= 1025, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 638, 639,
 &end
#
# 119 CYSS HA    122 ARG  HE      5.75             (#peak  1026)
 &rst
  ixpk= 1026, nxpk= 0, iat= 601, 644, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
# 124 PHE  HA    125 PHE  QD      8.13             (#peak  1030)
 &rst
  ixpk= 1030, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 690, 698,
 &end
#
# 103 ASN  HA    104 GLN  HG2     6.00             (#peak  1035)
 &rst
  ixpk= 1035, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 103 ASN  HA    104 GLN  HG3     6.00             (#peak  1036)
 &rst
  ixpk= 1036, nxpk= 0, iat= 354, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 110 HIS  HA    110 HIS  HD2     5.78             (#peak  1052)
 &rst
  ixpk= 1052, nxpk= 0, iat= 449, 460, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  18 ASN  HA     18 ASN  HD21    6.00             (#peak  1053)
 &rst
  ixpk= 1053, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  18 ASN  HA     18 ASN  HD22    6.00             (#peak  1054)
 &rst
  ixpk= 1054, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 ILE  HB    104 GLN  HA      6.00             (#peak  1060)
 &rst
  ixpk= 1060, nxpk= 0, iat= 127, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 128 PRO  QD    129 LYS  HA      6.89             (#peak  1061)
 &rst
  ixpk= 1061, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr1= 738, 739,
 &end
#
# 129 LYS  HA    129 LYS  QD      6.88             (#peak  1063)
 &rst
  ixpk= 1063, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 761, 762,
 &end
#
# 126 TYR  QD    128 PRO  HA      8.13             (#peak  1064)
 &rst
  ixpk= 1064, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 710, 719,
 &end
#
# 127 THR  HB    128 PRO  QD      6.89             (#peak  1080)
 &rst
  ixpk= 1080, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr2= 738, 739,
 &end
#
# 123 GLY  HA2   124 PHE  QD      8.13             (#peak  1087)
 &rst
  ixpk= 1087, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 123 GLY  HA3   124 PHE  QD      8.13             (#peak  1088)
 &rst
  ixpk= 1088, nxpk= 0, iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 126 TYR  QD    128 PRO  QD      9.02             (#peak  1098)
 &rst
  ixpk= 1098, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86,
 igr1= 710, 719,
 igr2= 738, 739,
 &end
#
# 126 TYR  QE    128 PRO  QD      9.02             (#peak  1099)
 &rst
  ixpk= 1099, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86,
 igr1= 712, 717,
 igr2= 738, 739,
 &end
#
#   3 VAL  HA    126 TYR  QE      8.13             (#peak  1101)
 &rst
  ixpk= 1101, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 712, 717,
 &end
#
# 112 VAL  HA    126 TYR  QE      8.13             (#peak  1104)
 &rst
  ixpk= 1104, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 712, 717,
 &end
#
# 111 LEU  HG    112 VAL  HA      5.46             (#peak  1106)
 &rst
  ixpk= 1106, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 112 VAL  HA    124 PHE  QE      8.13             (#peak  1114)
 &rst
  ixpk= 1114, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 672, 676,
 &end
#
#   7 CYSS HB3   108 GLY  H       6.00             (#peak  1115)
 &rst
  ixpk= 1115, nxpk= 0, iat=  93, 429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 113 GLU  QG    114 ALA  H       6.88             (#peak  1156)
 &rst
  ixpk= 1156, nxpk= 0, iat=  -1, 514, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1= 506, 507,
 &end
#
# 121 GLU  H     121 GLU  QG      6.88             (#peak  1159)
 &rst
  ixpk= 1159, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 623, 624,
 &end
#
# 116 TYR  QB    117 LEU  HG      6.38             (#peak  1195)
 &rst
  ixpk= 1195, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 547, 548,
 &end
#
# 117 LEU  H     117 LEU  HG      3.08             (#peak  1199)
 &rst
  ixpk= 1199, nxpk= 0, iat= 564, 571, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 116 TYR  QE    117 LEU  HG      8.13             (#peak  1200)
 &rst
  ixpk= 1200, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 553, 558,
 &end
#
# 115 LEU  HB2   124 PHE  QD      8.13             (#peak  1212)
 &rst
  ixpk= 1212, nxpk= 0, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr2= 670, 678,
 &end
#
# 115 LEU  HG    116 TYR  H       4.78             (#peak  1213)
 &rst
  ixpk= 1213, nxpk= 0, iat= 531, 543, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 111 LEU  HG    115 LEU  H       4.78             (#peak  1225)
 &rst
  ixpk= 1225, nxpk= 0, iat= 471, 524, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 101 PHE  QD    102 VAL  H       8.13             (#peak  1250)
 &rst
  ixpk= 1250, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 324, 332,
 &end
#
#   2 ILE  H       2 ILE  QD1     6.37             (#peak     4)
 &rst
  ixpk= 4, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr2=  24,  25,  26,
 &end
#
#   2 ILE  H       2 ILE  QG2     4.32             (#peak     5)
 &rst
  ixpk= 5, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  17,  18,  19,
 &end
#
#   3 VAL  H       3 VAL  QG2     5.44             (#peak   510)
 &rst
  ixpk= 510, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=  40,  41,  42,
 &end
#
#  16 LEU  H      16 LEU  QD1     6.41             (#peak   704)
 &rst
  ixpk= 704, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr2= 229, 230, 231,
 &end
#
# 106 LEU  H     106 LEU  QD2     6.84             (#peak    77)
 &rst
  ixpk= 77, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 413, 414, 415,
 &end
#
# 114 ALA  H     114 ALA  QB      4.03             (#peak    88)
 &rst
  ixpk= 88, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 518, 519, 520,
 &end
#
# 115 LEU  H     115 LEU  QD2     5.61             (#peak    92)
 &rst
  ixpk= 92, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 537, 538, 539,
 &end
#
# 115 LEU  H     115 LEU  QD1     5.61             (#peak    93)
 &rst
  ixpk= 93, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 533, 534, 535,
 &end
#
# 127 THR  H     127 THR  QG2     6.19             (#peak   121)
 &rst
  ixpk= 121, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr2= 729, 730, 731,
 &end
#
#  16 LEU  HA     16 LEU  QD2     5.25             (#peak   164)
 &rst
  ixpk= 164, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 233, 234, 235,
 &end
#
#  16 LEU  HA     16 LEU  QD1     5.25             (#peak   165)
 &rst
  ixpk= 165, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 229, 230, 231,
 &end
#
#   3 VAL  QG2     4 GLU  H       5.33             (#peak   178)
 &rst
  ixpk= 178, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  40,  41,  42,
 &end
#
#  10 ILE  QD1    11 CYSS H       7.02             (#peak   186)
 &rst
  ixpk= 186, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 136, 137, 138,
 &end
#
# 102 VAL  QQG   103 ASN  H       7.27             (#peak   202)
 &rst
  ixpk= 202, nxpk= 0, iat= 339, 352, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,  &end
#
# 115 LEU  HA    115 LEU  QD1     5.97             (#peak   300)
 &rst
  ixpk= 300, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 533, 534, 535,
 &end
#
# 115 LEU  HA    115 LEU  QD2     5.97             (#peak   301)
 &rst
  ixpk= 301, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 537, 538, 539,
 &end
#
# 111 LEU  HA    114 ALA  QB      5.36             (#peak   458)
 &rst
  ixpk= 458, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 518, 519, 520,
 &end
#
#   2 ILE  QG2     3 VAL  H       4.17             (#peak   176)
 &rst
  ixpk= 176, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1=  17,  18,  19,
 &end
#
#   7 CYSS H       8 THR  QG2     6.77             (#peak   468)
 &rst
  ixpk= 468, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr2= 104, 105, 106,
 &end
#
#  10 ILE  QG2    11 CYSS H       5.11             (#peak   470)
 &rst
  ixpk= 470, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 129, 130, 131,
 &end
#
# 114 ALA  QB    116 TYR  H       6.84             (#peak   497)
 &rst
  ixpk= 497, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr1= 518, 519, 520,
 &end
#
# 114 ALA  QB    115 LEU  H       4.35             (#peak   218)
 &rst
  ixpk= 218, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 518, 519, 520,
 &end
#
# 118 VAL  QG2   119 CYSS H       5.15             (#peak   503)
 &rst
  ixpk= 503, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 593, 594, 595,
 &end
#
# 118 VAL  QG1   119 CYSS H       5.15             (#peak   502)
 &rst
  ixpk= 502, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 589, 590, 591,
 &end
#
#   3 VAL  H       3 VAL  QG1     5.44             (#peak   511)
 &rst
  ixpk= 511, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=  36,  37,  38,
 &end
#
# 118 VAL  H     118 VAL  QG1     4.79             (#peak   564)
 &rst
  ixpk= 564, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 589, 590, 591,
 &end
#
# 106 LEU  H     106 LEU  QD1     6.84             (#peak    76)
 &rst
  ixpk= 76, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
 igr2= 409, 410, 411,
 &end
#
# 118 VAL  H     118 VAL  QG2     4.79             (#peak   586)
 &rst
  ixpk= 586, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 593, 594, 595,
 &end
#
#  10 ILE  QG2   105 HIS  HE1     7.02             (#peak   604)
 &rst
  ixpk= 604, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
# 113 GLU  H     114 ALA  QB      5.69             (#peak   713)
 &rst
  ixpk= 713, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 518, 519, 520,
 &end
#
# 115 LEU  QD1   124 PHE  QD      9.15             (#peak   622)
 &rst
  ixpk= 622, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
 igr1= 533, 534, 535,
 igr2= 670, 678,
 &end
#
# 115 LEU  QD2   124 PHE  QD      9.15             (#peak   623)
 &rst
  ixpk= 623, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
 igr1= 537, 538, 539,
 igr2= 670, 678,
 &end
#
#  10 ILE  QD1   105 HIS  H       6.44             (#peak   641)
 &rst
  ixpk= 641, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
 igr1= 136, 137, 138,
 &end
#
#  10 ILE  QD1   105 HIS  HE1     7.02             (#peak   652)
 &rst
  ixpk= 652, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 136, 137, 138,
 &end
#
# 108 GLY  H     111 LEU  QD1     7.02             (#peak   656)
 &rst
  ixpk= 656, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 473, 474, 475,
 &end
#
# 118 VAL  QG2   119 CYSS HA      6.80             (#peak   672)
 &rst
  ixpk= 672, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 593, 594, 595,
 &end
#
#   7 CYSS HA      8 THR  QG2     7.02             (#peak   674)
 &rst
  ixpk= 674, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#   8 THR  QG2     9 SER  HA      7.02             (#peak   676)
 &rst
  ixpk= 676, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 104, 105, 106,
 &end
#
#   4 GLU  HA      8 THR  QG2     6.87             (#peak   677)
 &rst
  ixpk= 677, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS HB2     8 THR  QG2     7.02             (#peak   681)
 &rst
  ixpk= 681, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS HB3     8 THR  QG2     7.02             (#peak   845)
 &rst
  ixpk= 845, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#   4 GLU  HG3     8 THR  QG2     7.02             (#peak   683)
 &rst
  ixpk= 683, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#   4 GLU  HB2     8 THR  QG2     7.02             (#peak   684)
 &rst
  ixpk= 684, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#  16 LEU  HA    115 LEU  QD1     7.02             (#peak   686)
 &rst
  ixpk= 686, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 533, 534, 535,
 &end
#
#   2 ILE  QD1    16 LEU  HA      7.02             (#peak   687)
 &rst
  ixpk= 687, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  24,  25,  26,
 &end
#
#  16 LEU  H      16 LEU  QD2     6.41             (#peak    41)
 &rst
  ixpk= 41, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr2= 233, 234, 235,
 &end
#
#  13 LEU  HA     13 LEU  QD1     5.29             (#peak   727)
 &rst
  ixpk= 727, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 172, 173, 174,
 &end
#
#  13 LEU  HA     13 LEU  QD2     5.29             (#peak   728)
 &rst
  ixpk= 728, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 176, 177, 178,
 &end
#
#   2 ILE  HA      2 ILE  QD1     6.30             (#peak   732)
 &rst
  ixpk= 732, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=  24,  25,  26,
 &end
#
# 106 LEU  QD1   114 ALA  QB      7.03             (#peak  1229)
 &rst
  ixpk= 1229, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64,
 igr1= 409, 410, 411,
 igr2= 518, 519, 520,
 &end
#
#   3 VAL  QG1     4 GLU  H       5.33             (#peak   179)
 &rst
  ixpk= 179, nxpk= 0, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=  36,  37,  38,
 &end
#
#   4 GLU  H       8 THR  QG2     7.02             (#peak   755)
 &rst
  ixpk= 755, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#   8 THR  QG2   105 HIS  HE1     7.02             (#peak   782)
 &rst
  ixpk= 782, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 104, 105, 106,
 &end
#
#  13 LEU  H      13 LEU  QD2     6.59             (#peak    30)
 &rst
  ixpk= 30, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr2= 176, 177, 178,
 &end
#
#  10 ILE  QG2   105 HIS  H       7.02             (#peak   785)
 &rst
  ixpk= 785, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QG2   103 ASN  H       7.02             (#peak   787)
 &rst
  ixpk= 787, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QG2   104 GLN  H       5.94             (#peak   789)
 &rst
  ixpk= 789, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 129, 130, 131,
 &end
#
# 112 VAL  HA    115 LEU  QD2     7.02             (#peak   846)
 &rst
  ixpk= 846, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 537, 538, 539,
 &end
#
#   2 ILE  QD1     3 VAL  H       6.98             (#peak   177)
 &rst
  ixpk= 177, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
 igr1=  24,  25,  26,
 &end
#
#  10 ILE  QG2   103 ASN  HB2     7.02             (#peak   840)
 &rst
  ixpk= 840, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QG2   103 ASN  HB3     7.02             (#peak   841)
 &rst
  ixpk= 841, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QD1   104 GLN  H       6.59             (#peak   842)
 &rst
  ixpk= 842, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 136, 137, 138,
 &end
#
# 125 PHE  QD    127 THR  QG2     9.15             (#peak   847)
 &rst
  ixpk= 847, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.33, r4=12.83,
 igr1= 690, 698,
 igr2= 729, 730, 731,
 &end
#
#   4 GLU  HB3     8 THR  QG2     7.02             (#peak   853)
 &rst
  ixpk= 853, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
# 111 LEU  QD1   112 VAL  HA      7.02             (#peak   854)
 &rst
  ixpk= 854, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 473, 474, 475,
 &end
#
#  17 GLU  HG3   118 VAL  QG2     7.02             (#peak   858)
 &rst
  ixpk= 858, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 593, 594, 595,
 &end
#
# 118 VAL  QG1   119 CYSS HA      6.80             (#peak   859)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr1= 589, 590, 591,
 &end
#
#  10 ILE  QG2   103 ASN  HA      6.73             (#peak   860)
 &rst
  ixpk= 860, nxpk= 0, iat=  -1, 354, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 129, 130, 131,
 &end
#
# 114 ALA  QB    118 VAL  H       6.95             (#peak   879)
 &rst
  ixpk= 879, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
 igr1= 518, 519, 520,
 &end
#
#   3 VAL  QG1   108 GLY  H       7.02             (#peak   947)
 &rst
  ixpk= 947, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  36,  37,  38,
 &end
#
#   3 VAL  QG2   108 GLY  H       7.02             (#peak   948)
 &rst
  ixpk= 948, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  40,  41,  42,
 &end
#
# 108 GLY  H     111 LEU  QD2     7.02             (#peak   953)
 &rst
  ixpk= 953, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 477, 478, 479,
 &end
#
# 109 SER  H     111 LEU  QD2     7.02             (#peak   954)
 &rst
  ixpk= 954, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 477, 478, 479,
 &end
#
#  13 LEU  H      13 LEU  QD1     6.59             (#peak    29)
 &rst
  ixpk= 29, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr2= 172, 173, 174,
 &end
#
#  12 SER  H      16 LEU  QD1     7.02             (#peak   966)
 &rst
  ixpk= 966, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 229, 230, 231,
 &end
#
#  12 SER  H      16 LEU  QD2     7.02             (#peak   967)
 &rst
  ixpk= 967, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 233, 234, 235,
 &end
#
# 115 LEU  QD1   119 CYSS H       7.02             (#peak   968)
 &rst
  ixpk= 968, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 533, 534, 535,
 &end
#
# 115 LEU  QD2   119 CYSS H       7.02             (#peak   969)
 &rst
  ixpk= 969, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 537, 538, 539,
 &end
#
#  10 ILE  QD1   103 ASN  H       7.02             (#peak   996)
 &rst
  ixpk= 996, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 136, 137, 138,
 &end
#
#   5 GLN  H       8 THR  QG2     7.02             (#peak  1001)
 &rst
  ixpk= 1001, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
# 115 LEU  QD1   116 TYR  H       7.02             (#peak  1010)
 &rst
  ixpk= 1010, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 533, 534, 535,
 &end
#
# 115 LEU  QD2   116 TYR  H       7.02             (#peak  1011)
 &rst
  ixpk= 1011, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 537, 538, 539,
 &end
#
#   9 SER  HA     10 ILE  QG2     7.02             (#peak  1028)
 &rst
  ixpk= 1028, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 129, 130, 131,
 &end
#
#  10 ILE  QG2    12 SER  HA      7.02             (#peak  1045)
 &rst
  ixpk= 1045, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 129, 130, 131,
 &end
#
#  10 ILE  QD1    12 SER  HA      7.02             (#peak  1046)
 &rst
  ixpk= 1046, nxpk= 0, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 136, 137, 138,
 &end
#
#   2 ILE  QG2   126 TYR  HA      7.02             (#peak  1047)
 &rst
  ixpk= 1047, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  17,  18,  19,
 &end
#
# 110 HIS  HA    114 ALA  QB      7.02             (#peak  1050)
 &rst
  ixpk= 1050, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 518, 519, 520,
 &end
#
# 101 PHE  HA    102 VAL  QQG     8.10             (#peak  1069)
 &rst
  ixpk= 1069, nxpk= 0, iat= 318, 339, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,  &end
#
#  16 LEU  HA    115 LEU  QD2     7.02             (#peak  1075)
 &rst
  ixpk= 1075, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 537, 538, 539,
 &end
#
# 127 THR  QG2   128 PRO  QD      7.91             (#peak  1100)
 &rst
  ixpk= 1100, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.66, r4=11.16,
 igr1= 729, 730, 731,
 igr2= 738, 739,
 &end
#
# 112 VAL  HA    114 ALA  QB      7.02             (#peak  1105)
 &rst
  ixpk= 1105, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 518, 519, 520,
 &end
#
# 112 VAL  HA    115 LEU  QD1     7.02             (#peak  1108)
 &rst
  ixpk= 1108, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 533, 534, 535,
 &end
#
# 111 LEU  QD2   112 VAL  HA      7.02             (#peak  1111)
 &rst
  ixpk= 1111, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 477, 478, 479,
 &end
#
#  17 GLU  HG2   118 VAL  QG2     7.02             (#peak  1153)
 &rst
  ixpk= 1153, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 593, 594, 595,
 &end
#
#  17 GLU  HG2   118 VAL  QG1     7.02             (#peak  1154)
 &rst
  ixpk= 1154, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 589, 590, 591,
 &end
#
#   4 GLU  HG2     8 THR  QG2     7.02             (#peak  1158)
 &rst
  ixpk= 1158, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 104, 105, 106,
 &end
#
#  17 GLU  HG3   118 VAL  QG1     7.02             (#peak  1168)
 &rst
  ixpk= 1168, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr2= 589, 590, 591,
 &end
#
#   2 ILE  QD1    15 GLN  HB2     7.02             (#peak  1171)
 &rst
  ixpk= 1171, nxpk= 0, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  24,  25,  26,
 &end
#
# 114 ALA  QB    118 VAL  HB      7.02             (#peak  1180)
 &rst
  ixpk= 1180, nxpk= 0, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 518, 519, 520,
 &end
#
#   2 ILE  QD1    15 GLN  HB3     7.02             (#peak  1188)
 &rst
  ixpk= 1188, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  24,  25,  26,
 &end
#
#   2 ILE  QD1    16 LEU  HG      7.02             (#peak  1204)
 &rst
  ixpk= 1204, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=  24,  25,  26,
 &end
#
# 114 ALA  QB    115 LEU  QD1     8.04             (#peak  1215)
 &rst
  ixpk= 1215, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
 igr1= 518, 519, 520,
 igr2= 533, 534, 535,
 &end
#
# 114 ALA  QB    115 LEU  QD2     8.04             (#peak  1216)
 &rst
  ixpk= 1216, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.60, r4=12.10,
 igr1= 518, 519, 520,
 igr2= 537, 538, 539,
 &end
#
# 114 ALA  QB    117 LEU  QD1     7.68             (#peak  1217)
 &rst
  ixpk= 1217, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.08, r4=11.58,
 igr1= 518, 519, 520,
 igr2= 573, 574, 575,
 &end
#
# 114 ALA  QB    117 LEU  QD2     7.68             (#peak  1218)
 &rst
  ixpk= 1218, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.08, r4=11.58,
 igr1= 518, 519, 520,
 igr2= 577, 578, 579,
 &end
#
#   2 ILE  QD1   111 LEU  HG      6.34             (#peak  1224)
 &rst
  ixpk= 1224, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=  24,  25,  26,
 &end
#
# 106 LEU  QD2   114 ALA  QB      7.03             (#peak  1230)
 &rst
  ixpk= 1230, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64,
 igr1= 413, 414, 415,
 igr2= 518, 519, 520,
 &end
#
#   2 ILE  H       2 ILE  QG1     4.83             (#peak   834)
 &rst
  ixpk= 834, nxpk= 0, iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=  21,  22,
 &end
#
#   2 ILE  H       3 VAL  QQG     5.65             (#peak   465)
 &rst
  ixpk= 465, nxpk= 0, iat=  11,  33, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#   2 ILE  HA      5 GLN  QB      4.29             (#peak   737)
 &rst
  ixpk= 737, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=  65,  66,
 &end
#
#   2 ILE  HB     11 CYSS QB      5.81             (#peak  1126)
 &rst
  ixpk= 1126, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 146, 147,
 &end
#
#   2 ILE  QG1     3 VAL  H       5.81             (#peak  1236)
 &rst
  ixpk= 1236, nxpk= 0, iat=  -1,  30, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  21,  22,
 &end
#
#   2 ILE  QG1    19 TYR  QD      7.77             (#peak   649)
 &rst
  ixpk= 649, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr1=  21,  22,
 igr2= 276, 285,
 &end
#
#   2 ILE  QG1    19 TYR  QE      7.78             (#peak  1237)
 &rst
  ixpk= 1237, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=  21,  22,
 igr2= 278, 283,
 &end
#
#   2 ILE  QD1     5 GLN  QB      6.75             (#peak  1183)
 &rst
  ixpk= 1183, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1=  24,  25,  26,
 igr2=  65,  66,
 &end
#
#   3 VAL  H       3 VAL  QQG     4.10             (#peak   510)
 &rst
  ixpk= 510, nxpk= 0, iat=  30,  33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   3 VAL  HA      6 CYSS QB      4.66             (#peak  1129)
 &rst
  ixpk= 1129, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=  82,  83,
 &end
#
#   3 VAL  HA    111 LEU  QQD     5.86             (#peak   478)
 &rst
  ixpk= 478, nxpk= 0, iat=  32, 470, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
#   3 VAL  QQG     4 GLU  H       4.66             (#peak   179)
 &rst
  ixpk= 179, nxpk= 0, iat=  33,  46, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   3 VAL  QQG     4 GLU  QB      5.67             (#peak  1185)
 &rst
  ixpk= 1185, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=  50,  51,
 &end
#
#   3 VAL  QQG     4 GLU  QG      6.62             (#peak  1162)
 &rst
  ixpk= 1162, nxpk= 0, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr2=  53,  54,
 &end
#
#   3 VAL  QQG     7 CYSS H       6.90             (#peak   997)
 &rst
  ixpk= 997, nxpk= 0, iat=  33,  88, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#   3 VAL  QQG   127 THR  HA      6.90             (#peak  1049)
 &rst
  ixpk= 1049, nxpk= 0, iat=  33, 725, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#   4 GLU  H       4 GLU  QB      3.42             (#peak   900)
 &rst
  ixpk= 900, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=  50,  51,
 &end
#
#   4 GLU  H       4 GLU  QG      4.53             (#peak     8)
 &rst
  ixpk= 8, nxpk= 0, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=  53,  54,
 &end
#
#   4 GLU  QB    129 LYS  QG      6.63             (#peak  1182)
 &rst
  ixpk= 1182, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
 igr1=  50,  51,
 igr2= 758, 759,
 &end
#
#   4 GLU  QG      5 GLN  H       5.81             (#peak  1163)
 &rst
  ixpk= 1163, nxpk= 0, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  53,  54,
 &end
#
#   4 GLU  QG    129 LYS  QG      6.63             (#peak  1157)
 &rst
  ixpk= 1157, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
 igr1=  53,  54,
 igr2= 758, 759,
 &end
#
#   5 GLN  H       5 GLN  QB      2.61             (#peak    12)
 &rst
  ixpk= 12, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
 igr2=  65,  66,
 &end
#
#   5 GLN  QB      6 CYSS H       3.74             (#peak  1184)
 &rst
  ixpk= 1184, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  65,  66,
 &end
#
#   5 GLN  QB      6 CYSS HA      4.70             (#peak  1017)
 &rst
  ixpk= 1017, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  65,  66,
 &end
#
#   5 GLN  QG     11 CYSS QB      5.18             (#peak  1136)
 &rst
  ixpk= 1136, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=  68,  69,
 igr2= 146, 147,
 &end
#
#   6 CYSS H       6 CYSS QB      2.85             (#peak    14)
 &rst
  ixpk= 14, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2=  82,  83,
 &end
#
#   6 CYSS H       7 CYSS QB      4.66             (#peak  1003)
 &rst
  ixpk= 1003, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=  92,  93,
 &end
#
#   6 CYSS H      11 CYSS QB      4.90             (#peak   993)
 &rst
  ixpk= 993, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 146, 147,
 &end
#
#   6 CYSS H     111 LEU  QQD     6.90             (#peak   843)
 &rst
  ixpk= 843, nxpk= 0, iat=  78, 470, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#   6 CYSS HA     11 CYSS QB      5.81             (#peak  1016)
 &rst
  ixpk= 1016, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 146, 147,
 &end
#
#   6 CYSS QB      7 CYSS H       3.30             (#peak   182)
 &rst
  ixpk= 182, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB      7 CYSS QB      5.61             (#peak  1128)
 &rst
  ixpk= 1128, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  82,  83,
 igr2=  92,  93,
 &end
#
#   6 CYSS QB     11 CYSS H       5.81             (#peak   923)
 &rst
  ixpk= 923, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    106 LEU  H       4.49             (#peak   940)
 &rst
  ixpk= 940, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    106 LEU  QB      5.61             (#peak  1144)
 &rst
  ixpk= 1144, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  82,  83,
 igr2= 404, 405,
 &end
#
#   6 CYSS QB    106 LEU  QQD     6.62             (#peak  1145)
 &rst
  ixpk= 1145, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=  82,  83,
 &end
#
#   6 CYSS QB    111 LEU  QQD     6.02             (#peak   839)
 &rst
  ixpk= 839, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=  82,  83,
 &end
#
#   7 CYSS H       7 CYSS QB      2.88             (#peak    18)
 &rst
  ixpk= 18, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2=  92,  93,
 &end
#
#   7 CYSS HA    105 HIS  QB      5.00             (#peak   600)
 &rst
  ixpk= 600, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 387, 388,
 &end
#
#   7 CYSS QB      8 THR  H       3.08             (#peak   184)
 &rst
  ixpk= 184, nxpk= 0, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB      8 THR  QG2     6.19             (#peak   845)
 &rst
  ixpk= 845, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1=  92,  93,
 igr2= 104, 105, 106,
 &end
#
#   7 CYSS QB    106 LEU  H       5.81             (#peak  1095)
 &rst
  ixpk= 1095, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB    107 CYSS HA      4.54             (#peak   650)
 &rst
  ixpk= 650, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  92,  93,
 &end
#
#   7 CYSS QB    107 CYSS QB      5.18             (#peak  1096)
 &rst
  ixpk= 1096, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=  92,  93,
 igr2= 423, 424,
 &end
#
#   8 THR  QG2     9 SER  QB      6.13             (#peak  1083)
 &rst
  ixpk= 1083, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
 igr1= 104, 105, 106,
 igr2= 116, 117,
 &end
#
#   9 SER  HA     10 ILE  QG1     5.81             (#peak  1029)
 &rst
  ixpk= 1029, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 133, 134,
 &end
#
#   9 SER  QB     10 ILE  H       3.47             (#peak   815)
 &rst
  ixpk= 815, nxpk= 0, iat=  -1, 123, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 116, 117,
 &end
#
#  10 ILE  H      10 ILE  QG1     4.53             (#peak    23)
 &rst
  ixpk= 23, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 133, 134,
 &end
#
#  10 ILE  QG2   104 GLN  QB      6.75             (#peak   857)
 &rst
  ixpk= 857, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1= 129, 130, 131,
 igr2= 370, 371,
 &end
#
#  10 ILE  QG1   105 HIS  HE1     5.81             (#peak   880)
 &rst
  ixpk= 880, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 133, 134,
 &end
#
#  10 ILE  QD1   105 HIS  QB      6.75             (#peak  1102)
 &rst
  ixpk= 1102, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1= 136, 137, 138,
 igr2= 387, 388,
 &end
#
#  11 CYSS HA     15 GLN  QB      5.68             (#peak  1187)
 &rst
  ixpk= 1187, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 207, 208,
 &end
#
#  11 CYSS QB     12 SER  H       3.15             (#peak   188)
 &rst
  ixpk= 188, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 146, 147,
 &end
#
#  11 CYSS QB     15 GLN  QB      5.05             (#peak  1123)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 146, 147,
 igr2= 207, 208,
 &end
#
#  11 CYSS QB     15 GLN  QG      5.37             (#peak  1122)
 &rst
  ixpk= 1122, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 146, 147,
 igr2= 210, 211,
 &end
#
#  12 SER  H      12 SER  QB      2.94             (#peak   664)
 &rst
  ixpk= 664, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 156, 157,
 &end
#
#  12 SER  H      15 GLN  QB      3.17             (#peak   475)
 &rst
  ixpk= 475, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 207, 208,
 &end
#
#  12 SER  H      15 GLN  QG      4.21             (#peak   474)
 &rst
  ixpk= 474, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 210, 211,
 &end
#
#  12 SER  H      15 GLN  QE2     5.81             (#peak   960)
 &rst
  ixpk= 960, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 215, 216,
 &end
#
#  12 SER  HA     13 LEU  QQD     6.90             (#peak  1044)
 &rst
  ixpk= 1044, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#  12 SER  QB     13 LEU  H       2.98             (#peak   190) WB
 &rst
  ixpk= 190, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 156, 157,
 &end
#
#  12 SER  QB     13 LEU  QB      5.61             (#peak  1068)
 &rst
  ixpk= 1068, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 156, 157,
 igr2= 167, 168,
 &end
#
#  12 SER  QB     14 TYR  H       3.40             (#peak   469)
 &rst
  ixpk= 469, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 156, 157,
 &end
#
#  12 SER  QB     15 GLN  H       4.36             (#peak   761)
 &rst
  ixpk= 761, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 156, 157,
 &end
#
#  13 LEU  H      13 LEU  QB      2.78             (#peak    27)
 &rst
  ixpk= 27, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 167, 168,
 &end
#
#  13 LEU  H      13 LEU  QQD     5.69             (#peak    30)
 &rst
  ixpk= 30, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  13 LEU  H      14 TYR  QB      5.24             (#peak   963)
 &rst
  ixpk= 963, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 186, 187,
 &end
#
#  13 LEU  HA     16 LEU  QB      3.46             (#peak   449)
 &rst
  ixpk= 449, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 224, 225,
 &end
#
#  13 LEU  QB     14 TYR  H       3.18             (#peak   192)
 &rst
  ixpk= 192, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 167, 168,
 &end
#
#  13 LEU  QB     14 TYR  HA      3.87             (#peak   734) WB
 &rst
  ixpk= 734, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 167, 168,
 &end
#
#  13 LEU  QB     14 TYR  QD      7.77             (#peak  1214)
 &rst
  ixpk= 1214, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr1= 167, 168,
 igr2= 190, 199,
 &end
#
#  13 LEU  QB     15 GLN  H       5.74             (#peak   911)
 &rst
  ixpk= 911, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 167, 168,
 &end
#
#  13 LEU  QB     17 GLU  H       4.77             (#peak  1221)
 &rst
  ixpk= 1221, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 167, 168,
 &end
#
#  13 LEU  QB    118 VAL  QQG     6.62             (#peak  1220)
 &rst
  ixpk= 1220, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 167, 168,
 &end
#
#  13 LEU  QQD   103 ASN  H       6.90             (#peak   473)
 &rst
  ixpk= 473, nxpk= 0, iat= 169, 352, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#  13 LEU  QQD   104 GLN  QB      6.28             (#peak  1203)
 &rst
  ixpk= 1203, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 370, 371,
 &end
#
#  14 TYR  HA     17 GLU  QB      2.82             (#peak  1076)
 &rst
  ixpk= 1076, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2= 243, 244,
 &end
#
#  14 TYR  HA    118 VAL  QQG     6.45             (#peak   669) WB
 &rst
  ixpk= 669, nxpk= 0, iat= 184, 586, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.55,  &end
#
#  14 TYR  QB     15 GLN  HA      4.57             (#peak  1085)
 &rst
  ixpk= 1085, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 186, 187,
 &end
#
#  14 TYR  QB     15 GLN  QG      5.18             (#peak  1173)
 &rst
  ixpk= 1173, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 186, 187,
 igr2= 210, 211,
 &end
#
#  14 TYR  QD     17 GLU  QB      7.77             (#peak  1186)
 &rst
  ixpk= 1186, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr1= 190, 199,
 igr2= 243, 244,
 &end
#
#  15 GLN  H      15 GLN  QB      2.93             (#peak  1164)
 &rst
  ixpk= 1164, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 207, 208,
 &end
#
#  15 GLN  H      15 GLN  QG      3.40             (#peak   250)
 &rst
  ixpk= 250, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 210, 211,
 &end
#
#  15 GLN  H      15 GLN  QE2     5.64             (#peak   391)
 &rst
  ixpk= 391, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 215, 216,
 &end
#
#  15 GLN  H      16 LEU  QB      4.70             (#peak   910)
 &rst
  ixpk= 910, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 224, 225,
 &end
#
#  15 GLN  HA     18 ASN  QB      4.02             (#peak   452)
 &rst
  ixpk= 452, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 258, 259,
 &end
#
#  15 GLN  HA     18 ASN  QD2     5.34             (#peak   632)
 &rst
  ixpk= 632, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 263, 264,
 &end
#
#  15 GLN  QB     16 LEU  QB      5.61             (#peak  1167)
 &rst
  ixpk= 1167, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 207, 208,
 igr2= 224, 225,
 &end
#
#  15 GLN  QB     16 LEU  HG      5.81             (#peak  1166)
 &rst
  ixpk= 1166, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 207, 208,
 &end
#
#  15 GLN  QB     16 LEU  QQD     6.02             (#peak  1170)
 &rst
  ixpk= 1170, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 207, 208,
 &end
#
#  15 GLN  QG     16 LEU  H       4.94             (#peak   537)
 &rst
  ixpk= 537, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 210, 211,
 &end
#
#  16 LEU  H      16 LEU  QB      2.89             (#peak   700)
 &rst
  ixpk= 700, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 224, 225,
 &end
#
#  16 LEU  H      16 LEU  QQD     5.62             (#peak   704)
 &rst
  ixpk= 704, nxpk= 0, iat= 220, 226, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  16 LEU  HA     19 TYR  QB      4.43             (#peak   454)
 &rst
  ixpk= 454, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 272, 273,
 &end
#
#  16 LEU  QB     17 GLU  H       3.09             (#peak  1198)
 &rst
  ixpk= 1198, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 224, 225,
 &end
#
#  16 LEU  QB    115 LEU  QQD     5.12             (#peak  1208)
 &rst
  ixpk= 1208, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 224, 225,
 &end
#
#  16 LEU  QB    118 VAL  QQG     6.25             (#peak  1207)
 &rst
  ixpk= 1207, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 224, 225,
 &end
#
#  17 GLU  H      17 GLU  QB      2.71             (#peak    45)
 &rst
  ixpk= 45, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2= 243, 244,
 &end
#
#  17 GLU  H      17 GLU  QG      3.74             (#peak    44) WB
 &rst
  ixpk= 44, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 246, 247,
 &end
#
#  17 GLU  H     118 VAL  QQG     6.90             (#peak   706)
 &rst
  ixpk= 706, nxpk= 0, iat= 239, 586, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
#  17 GLU  HA     20 CYSS QB      4.77             (#peak   455)
 &rst
  ixpk= 455, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 293, 294,
 &end
#
#  17 GLU  QB     18 ASN  H       3.55             (#peak   252)
 &rst
  ixpk= 252, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 243, 244,
 &end
#
#  17 GLU  QB    118 VAL  QQG     4.93             (#peak  1179)
 &rst
  ixpk= 1179, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 243, 244,
 &end
#
#  17 GLU  QG     18 ASN  H       5.34             (#peak  1155)
 &rst
  ixpk= 1155, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 246, 247,
 &end
#
#  17 GLU  QG    118 VAL  QQG     5.26             (#peak  1168)
 &rst
  ixpk= 1168, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 246, 247,
 &end
#
#  18 ASN  H      18 ASN  QD2     5.81             (#peak    50)
 &rst
  ixpk= 50, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 263, 264,
 &end
#
#  18 ASN  QB     19 TYR  H       3.66             (#peak   198)
 &rst
  ixpk= 198, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 258, 259,
 &end
#
#  19 TYR  H      19 TYR  QB      2.82             (#peak   237)
 &rst
  ixpk= 237, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2= 272, 273,
 &end
#
#  19 TYR  H      20 CYSS QB      4.70             (#peak  1134)
 &rst
  ixpk= 1134, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 293, 294,
 &end
#
#  19 TYR  QB     20 CYSS H       3.76             (#peak   199)
 &rst
  ixpk= 199, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 272, 273,
 &end
#
#  19 TYR  QB    115 LEU  QQD     5.78             (#peak  1119)
 &rst
  ixpk= 1119, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 272, 273,
 &end
#
#  19 TYR  QB    125 PHE  H       4.02             (#peak  1140)
 &rst
  ixpk= 1140, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 272, 273,
 &end
#
#  20 CYSS H      20 CYSS QB      3.17             (#peak   246)
 &rst
  ixpk= 246, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 293, 294,
 &end
#
#  20 CYSS HA     20 CYSS QB      2.49             (#peak   172)
 &rst
  ixpk= 172, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr2= 293, 294,
 &end
#
#  20 CYSS HA    124 PHE  QB      5.81             (#peak  1019)
 &rst
  ixpk= 1019, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 666, 667,
 &end
#
#  20 CYSS QB     21 ASN  H       3.81             (#peak   914)
 &rst
  ixpk= 914, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB     21 ASN  HA      4.49             (#peak  1041)
 &rst
  ixpk= 1041, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB    119 CYSS H       5.81             (#peak  1146)
 &rst
  ixpk= 1146, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB    122 ARG  QB      5.18             (#peak  1149)
 &rst
  ixpk= 1149, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 293, 294,
 igr2= 635, 636,
 &end
#
#  20 CYSS QB    122 ARG  QG      6.63             (#peak  1150)
 &rst
  ixpk= 1150, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
 igr1= 293, 294,
 igr2= 638, 639,
 &end
#
#  20 CYSS QB    122 ARG  HE      5.81             (#peak  1147)
 &rst
  ixpk= 1147, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 293, 294,
 &end
#
#  20 CYSS QB    123 GLY  H       5.81             (#peak  1151)
 &rst
  ixpk= 1151, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 293, 294,
 &end
#
#  21 ASN  H      21 ASN  QB      3.18             (#peak   778)
 &rst
  ixpk= 778, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 303, 304,
 &end
#
#  21 ASN  H      21 ASN  QD2     4.81             (#peak    60)
 &rst
  ixpk= 60, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 308, 309,
 &end
#
#  21 ASN  QB    122 ARG  QB      5.61             (#peak  1152)
 &rst
  ixpk= 1152, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 303, 304,
 igr2= 635, 636,
 &end
#
# 102 VAL  H     104 GLN  QG      5.81             (#peak  1174) WB
 &rst
  ixpk= 1174, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.52,
 igr2= 373, 374,
 &end
#
# 102 VAL  HA    103 ASN  QB      5.00             (#peak  1079)
 &rst
  ixpk= 1079, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 356, 357,
 &end
#
# 103 ASN  H     103 ASN  QB      3.55             (#peak    63)
 &rst
  ixpk= 63, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 356, 357,
 &end
#
# 103 ASN  HA    104 GLN  QB      4.88             (#peak  1038)
 &rst
  ixpk= 1038, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 370, 371,
 &end
#
# 103 ASN  HA    106 LEU  QQD     6.90             (#peak  1039)
 &rst
  ixpk= 1039, nxpk= 0, iat= 354, 406, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 103 ASN  QD2   104 GLN  H       5.81             (#peak  1005)
 &rst
  ixpk= 1005, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 361, 362,
 &end
#
# 104 GLN  H     104 GLN  QB      3.24             (#peak   703)
 &rst
  ixpk= 703, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 370, 371,
 &end
#
# 104 GLN  H     104 GLN  QE2     5.81             (#peak  1002)
 &rst
  ixpk= 1002, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 378, 379,
 &end
#
# 104 GLN  HA    104 GLN  QE2     5.81             (#peak  1059)
 &rst
  ixpk= 1059, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 378, 379,
 &end
#
# 104 GLN  HA    105 HIS  QB      5.81             (#peak  1056)
 &rst
  ixpk= 1056, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 387, 388,
 &end
#
# 104 GLN  QB    105 HIS  H       2.98             (#peak   209)
 &rst
  ixpk= 209, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr1= 370, 371,
 &end
#
# 104 GLN  QB    106 LEU  HG      5.81             (#peak  1181)
 &rst
  ixpk= 1181, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 370, 371,
 &end
#
# 104 GLN  QB    106 LEU  QQD     6.62             (#peak  1202)
 &rst
  ixpk= 1202, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 370, 371,
 &end
#
# 105 HIS  H     105 HIS  QB      2.76             (#peak    70)
 &rst
  ixpk= 70, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2= 387, 388,
 &end
#
# 105 HIS  H     106 LEU  QB      5.47             (#peak   982)
 &rst
  ixpk= 982, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 404, 405,
 &end
#
# 106 LEU  H     106 LEU  QB      3.13             (#peak    73)
 &rst
  ixpk= 73, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 404, 405,
 &end
#
# 106 LEU  H     106 LEU  QQD     5.92             (#peak    77)
 &rst
  ixpk= 77, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,  &end
#
# 106 LEU  H     111 LEU  QQD     6.90             (#peak   952)
 &rst
  ixpk= 952, nxpk= 0, iat= 400, 470, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 106 LEU  QB    107 CYSS H       3.37             (#peak   835)
 &rst
  ixpk= 835, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 404, 405,
 &end
#
# 106 LEU  QB    111 LEU  HA      5.81             (#peak   736)
 &rst
  ixpk= 736, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 404, 405,
 &end
#
# 106 LEU  QB    111 LEU  QB      4.76             (#peak  1201)
 &rst
  ixpk= 1201, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 404, 405,
 igr2= 468, 469,
 &end
#
# 106 LEU  QB    111 LEU  QQD     4.90             (#peak  1249)
 &rst
  ixpk= 1249, nxpk= 0, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 404, 405,
 &end
#
# 106 LEU  QQD   107 CYSS H       4.99             (#peak   640)
 &rst
  ixpk= 640, nxpk= 0, iat= 406, 419, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 106 LEU  QQD   110 HIS  QB      6.02             (#peak   631)
 &rst
  ixpk= 631, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr2= 451, 452,
 &end
#
# 106 LEU  QQD   114 ALA  QB      6.01             (#peak  1229)
 &rst
  ixpk= 1229, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr2= 518, 519, 520,
 &end
#
# 107 CYSS H     107 CYSS QB      3.13             (#peak   759)
 &rst
  ixpk= 759, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 423, 424,
 &end
#
# 107 CYSS H     110 HIS  QB      3.29             (#peak   495)
 &rst
  ixpk= 495, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 451, 452,
 &end
#
# 107 CYSS HA    108 GLY  QA      4.81             (#peak  1015)
 &rst
  ixpk= 1015, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 431, 432,
 &end
#
# 107 CYSS HA    111 LEU  QB      3.84             (#peak  1012)
 &rst
  ixpk= 1012, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 468, 469,
 &end
#
# 107 CYSS HA    111 LEU  QQD     5.86             (#peak   673)
 &rst
  ixpk= 673, nxpk= 0, iat= 421, 470, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 107 CYSS QB    108 GLY  H       3.13             (#peak   558) WB
 &rst
  ixpk= 558, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1= 423, 424,
 &end
#
# 108 GLY  H     108 GLY  QA      2.57             (#peak   927)
 &rst
  ixpk= 927, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 431, 432,
 &end
#
# 108 GLY  H     111 LEU  QB      4.14             (#peak   944)
 &rst
  ixpk= 944, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 468, 469,
 &end
#
# 108 GLY  QA    109 SER  H       2.71             (#peak   530)
 &rst
  ixpk= 530, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr1= 431, 432,
 &end
#
# 109 SER  H     110 HIS  QB      4.56             (#peak   931) WB
 &rst
  ixpk= 931, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 451, 452,
 &end
#
# 109 SER  H     112 VAL  QQG     6.90             (#peak   951)
 &rst
  ixpk= 951, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 110 HIS  H     110 HIS  QB      2.96             (#peak    80)
 &rst
  ixpk= 80, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 451, 452,
 &end
#
# 110 HIS  HA    113 GLU  QB      3.48             (#peak   457)
 &rst
  ixpk= 457, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 503, 504,
 &end
#
# 110 HIS  QB    111 LEU  HA      4.94             (#peak  1127)
 &rst
  ixpk= 1127, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 451, 452,
 &end
#
# 110 HIS  QB    114 ALA  QB      6.75             (#peak  1130)
 &rst
  ixpk= 1130, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1= 451, 452,
 igr2= 518, 519, 520,
 &end
#
# 111 LEU  H     111 LEU  QB      2.94             (#peak   716)
 &rst
  ixpk= 716, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 468, 469,
 &end
#
# 111 LEU  HA    111 LEU  QB      2.62             (#peak   287)
 &rst
  ixpk= 287, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr2= 468, 469,
 &end
#
# 111 LEU  QB    112 VAL  H       3.25             (#peak   715)
 &rst
  ixpk= 715, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr1= 468, 469,
 &end
#
# 111 LEU  QB    112 VAL  HA      5.22             (#peak  1110)
 &rst
  ixpk= 1110, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 468, 469,
 &end
#
# 111 LEU  HG    115 LEU  QQD     5.69             (#peak  1223)
 &rst
  ixpk= 1223, nxpk= 0, iat= 471, 530, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 112 VAL  HA    115 LEU  QB      4.50             (#peak  1246)
 &rst
  ixpk= 1246, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 528, 529,
 &end
#
# 112 VAL  HA    115 LEU  QQD     5.69             (#peak   846)
 &rst
  ixpk= 846, nxpk= 0, iat= 485, 530, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 112 VAL  QQG   126 TYR  QB      6.62             (#peak  1139)
 &rst
  ixpk= 1139, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr2= 706, 707,
 &end
#
# 113 GLU  H     113 GLU  QB      2.89             (#peak   802)
 &rst
  ixpk= 802, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 503, 504,
 &end
#
# 115 LEU  H     115 LEU  QB      2.64             (#peak    90)
 &rst
  ixpk= 90, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2= 528, 529,
 &end
#
# 115 LEU  H     118 VAL  QQG     6.90             (#peak   848)
 &rst
  ixpk= 848, nxpk= 0, iat= 524, 586, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 115 LEU  HA    118 VAL  QQG     5.38             (#peak   671)
 &rst
  ixpk= 671, nxpk= 0, iat= 526, 586, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 115 LEU  QB    116 TYR  H       3.01             (#peak   221)
 &rst
  ixpk= 221, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr1= 528, 529,
 &end
#
# 115 LEU  QB    116 TYR  QB      6.62             (#peak  1211)
 &rst
  ixpk= 1211, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1= 528, 529,
 igr2= 547, 548,
 &end
#
# 115 LEU  QQD   118 VAL  HB      6.90             (#peak  1178)
 &rst
  ixpk= 1178, nxpk= 0, iat= 530, 587, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 115 LEU  QQD   118 VAL  QQG     7.68             (#peak   740)
 &rst
  ixpk= 740, nxpk= 0, iat= 530, 586, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,  &end
#
# 115 LEU  QQD   124 PHE  QB      6.62             (#peak  1137)
 &rst
  ixpk= 1137, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr2= 666, 667,
 &end
#
# 115 LEU  QQD   124 PHE  QE      8.91             (#peak   821)
 &rst
  ixpk= 821, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr2= 672, 676,
 &end
#
# 115 LEU  QQD   126 TYR  QB      5.92             (#peak   837)
 &rst
  ixpk= 837, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr2= 706, 707,
 &end
#
# 116 TYR  HA    117 LEU  QQD     6.90             (#peak  1071)
 &rst
  ixpk= 1071, nxpk= 0, iat= 545, 570, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,  &end
#
# 116 TYR  QB    117 LEU  QB      6.62             (#peak  1194)
 &rst
  ixpk= 1194, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1= 547, 548,
 igr2= 568, 569,
 &end
#
# 116 TYR  QB    117 LEU  QQD     7.73             (#peak   630)
 &rst
  ixpk= 630, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
 igr1= 547, 548,
 &end
#
# 117 LEU  H     117 LEU  QB      2.95             (#peak   711)
 &rst
  ixpk= 711, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 568, 569,
 &end
#
# 117 LEU  HA    117 LEU  QB      2.62             (#peak   308)
 &rst
  ixpk= 308, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
 igr2= 568, 569,
 &end
#
# 117 LEU  HA    117 LEU  QQD     4.29             (#peak   668)
 &rst
  ixpk= 668, nxpk= 0, iat= 566, 570, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 117 LEU  QB    118 VAL  HA      4.53             (#peak  1094)
 &rst
  ixpk= 1094, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 568, 569,
 &end
#
# 117 LEU  QB    118 VAL  QQG     5.67             (#peak  1193)
 &rst
  ixpk= 1193, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 568, 569,
 &end
#
# 118 VAL  H     118 VAL  QQG     3.95             (#peak   586)
 &rst
  ixpk= 586, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 118 VAL  H     119 CYSS QB      5.24             (#peak   978)
 &rst
  ixpk= 978, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 603, 604,
 &end
#
# 118 VAL  QQG   119 CYSS HA      5.44             (#peak   859)
 &rst
  ixpk= 859, nxpk= 0, iat= 586, 601, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 118 VAL  QQG   119 CYSS QB      5.76             (#peak  1131)
 &rst
  ixpk= 1131, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 603, 604,
 &end
#
# 119 CYSS H     119 CYSS QB      2.86             (#peak    96)
 &rst
  ixpk= 96, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
 igr2= 603, 604,
 &end
#
# 119 CYSS HA    119 CYSS QB      2.49             (#peak  1021)
 &rst
  ixpk= 1021, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr2= 603, 604,
 &end
#
# 119 CYSS HA    122 ARG  QB      4.07             (#peak  1023)
 &rst
  ixpk= 1023, nxpk= 0, iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 635, 636,
 &end
#
# 119 CYSS QB    123 GLY  H       4.29             (#peak   506)
 &rst
  ixpk= 506, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 603, 604,
 &end
#
# 119 CYSS QB    123 GLY  QA      4.66             (#peak  1091)
 &rst
  ixpk= 1091, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 603, 604,
 igr2= 657, 658,
 &end
#
# 119 CYSS QB    124 PHE  QB      4.07             (#peak  1133)
 &rst
  ixpk= 1133, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 603, 604,
 igr2= 666, 667,
 &end
#
# 119 CYSS QB    124 PHE  QD      7.77             (#peak   575)
 &rst
  ixpk= 575, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
 igr1= 603, 604,
 igr2= 670, 678,
 &end
#
# 119 CYSS QB    124 PHE  QE      7.78             (#peak   773)
 &rst
  ixpk= 773, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 603, 604,
 igr2= 672, 676,
 &end
#
# 121 GLU  H     121 GLU  QB      3.52             (#peak   568)
 &rst
  ixpk= 568, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 620, 621,
 &end
#
# 121 GLU  QB    122 ARG  H       3.71             (#peak   800)
 &rst
  ixpk= 800, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 620, 621,
 &end
#
# 122 ARG  H     122 ARG  QB      2.97             (#peak   710)
 &rst
  ixpk= 710, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 635, 636,
 &end
#
# 122 ARG  HA    122 ARG  QB      2.54             (#peak   321)
 &rst
  ixpk= 321, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
 igr2= 635, 636,
 &end
#
# 122 ARG  QB    122 ARG  HE      5.26             (#peak   438)
 &rst
  ixpk= 438, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 635, 636,
 &end
#
# 122 ARG  QB    123 GLY  H       3.93             (#peak   228)
 &rst
  ixpk= 228, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 635, 636,
 &end
#
# 123 GLY  QA    124 PHE  QB      5.01             (#peak  1089)
 &rst
  ixpk= 1089, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 657, 658,
 igr2= 666, 667,
 &end
#
# 124 PHE  H     124 PHE  QB      2.95             (#peak   110) WB
 &rst
  ixpk= 110, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 666, 667,
 &end
#
# 124 PHE  HA    125 PHE  QB      4.22             (#peak  1031)
 &rst
  ixpk= 1031, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 686, 687,
 &end
#
# 124 PHE  QB    125 PHE  H       3.45             (#peak   233)
 &rst
  ixpk= 233, nxpk= 0, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 666, 667,
 &end
#
# 124 PHE  QE    126 TYR  QB      7.78             (#peak  1138)
 &rst
  ixpk= 1138, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 672, 676,
 igr2= 706, 707,
 &end
#
# 125 PHE  H     125 PHE  QB      3.24             (#peak   114)
 &rst
  ixpk= 114, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 686, 687,
 &end
#
# 125 PHE  QB    126 TYR  H       4.43             (#peak   818)
 &rst
  ixpk= 818, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 686, 687,
 &end
#
# 126 TYR  H     126 TYR  QB      2.99             (#peak   116)
 &rst
  ixpk= 116, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 706, 707,
 &end
#
# 126 TYR  QB    127 THR  H       3.98             (#peak   791)
 &rst
  ixpk= 791, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 706, 707,
 &end
#
# 126 TYR  QE    128 PRO  QB      7.78             (#peak  1176)
 &rst
  ixpk= 1176, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 712, 717,
 igr2= 744, 745,
 &end
#
# 126 TYR  QE    128 PRO  QG      7.78             (#peak   889)
 &rst
  ixpk= 889, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 712, 717,
 igr2= 741, 742,
 &end
#
# 127 THR  QG2   128 PRO  QB      6.75             (#peak  1240)
 &rst
  ixpk= 1240, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
 igr1= 729, 730, 731,
 igr2= 744, 745,
 &end
#
# 128 PRO  HA    129 LYS  QB      4.70             (#peak  1065)
 &rst
  ixpk= 1065, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 755, 756,
 &end
#
#   6 CYSS SG     11 CYSS SG      2.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  84, 148, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
#   6 CYSS SG     11 CYSS CB      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  84, 145, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   6 CYSS CB     11 CYSS SG      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  81, 148, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   7 CYSS SG    107 CYSS SG      2.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  94, 425, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
#   7 CYSS SG    107 CYSS CB      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  94, 422, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   7 CYSS CB    107 CYSS SG      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat=  91, 425, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  20 CYSS SG    119 CYSS SG      2.10 
 &rst
  ixpk= 1065, nxpk= 0, iat= 295, 605, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
#  20 CYSS SG    119 CYSS CB      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat= 295, 602, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  20 CYSS CB    119 CYSS SG      3.10 
 &rst
  ixpk= 1065, nxpk= 0, iat= 292, 605, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 2 atoms:  CA CG2 CG1 HB
 &rst iat=12,16,20,15, &end
#
#  chirality for residue 2 atoms:  CB CD1 HG12 HG13
 &rst iat=14,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,27,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG1 CG2 HB
 &rst iat=31,35,39,34, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=29,43,32,33, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,58,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=62,67,65,66, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=64,70,68,69, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=60,75,63,64, &end
#
#  chirality for residue 6 atoms:  CA SG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=77,85,80,81, &end
#
#  chirality for residue 7 atoms:  CA SG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=87,95,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=99,103,107,102, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=97,109,100,101, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=113,118,116,117, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=111,120,114,115, &end
#
#  chirality for residue 10 atoms:  CA CG2 CG1 HB
 &rst iat=124,128,132,127, &end
#
#  chirality for residue 10 atoms:  CB CD1 HG12 HG13
 &rst iat=126,135,133,134, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=122,139,125,126, &end
#
#  chirality for residue 11 atoms:  CA SG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=141,149,144,145, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=151,160,154,155, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=166,171,175,170, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=162,179,165,166, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=183,188,186,187, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=181,200,184,185, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=206,212,210,211, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=202,217,205,206, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=223,228,232,227, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=219,236,222,223, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=240,245,243,244, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=242,248,246,247, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=238,251,241,242, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,265,256,257, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=269,274,272,273, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=267,286,270,271, &end
#
#  chirality for residue 20 atoms:  CA SG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=288,296,291,292, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=298,310,301,302, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=313,333,318,319, &end
#
#  chirality for residue 102 atoms:  CA CG1 CG2 HB
 &rst iat=337,341,345,340, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=335,349,338,339, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=353,358,356,357, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=351,363,354,355, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=367,372,370,371, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=369,375,373,374, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=365,380,368,369, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=382,397,385,386, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 106 atoms:  CB CD1 CD2 HG
 &rst iat=403,408,412,407, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=399,416,402,403, &end
#
#  chirality for residue 107 atoms:  CA SG HB2 HB3
 &rst iat=420,425,423,424, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=418,426,421,422, &end
#
#  chirality for residue 108 atoms:  N C HA2 HA3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 109 atoms:  CA OG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=435,444,438,439, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=446,461,449,450, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 111 atoms:  CB CD1 CD2 HG
 &rst iat=467,472,476,471, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=463,480,466,467, &end
#
#  chirality for residue 112 atoms:  CA CG1 CG2 HB
 &rst iat=484,488,492,487, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=482,496,485,486, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=500,505,503,504, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=502,508,506,507, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=498,511,501,502, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=513,521,516,517, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=525,530,528,529, &end
#
#  chirality for residue 115 atoms:  CB CD1 CD2 HG
 &rst iat=527,532,536,531, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=523,540,526,527, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=544,549,547,548, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=542,561,545,546, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=565,570,568,569, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=567,572,576,571, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=563,580,566,567, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=584,588,592,587, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=582,596,585,586, &end
#
#  chirality for residue 119 atoms:  CA SG HB2 HB3
 &rst iat=600,605,603,604, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=598,606,601,602, &end
#
#  chirality for residue 120 atoms:  N C HA2 HA3
 &rst iat=608,613,611,612, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=619,625,623,624, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=615,628,618,619, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=632,637,635,636, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=634,640,638,639, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=630,652,633,634, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=654,659,657,658, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=663,668,666,667, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=661,679,664,665, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=683,688,686,687, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=681,699,684,685, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=703,708,706,707, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=701,720,704,705, &end
#
#  chirality for residue 127 atoms:  CA CG2 OG1 HB
 &rst iat=724,728,732,727, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=722,734,725,726, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=746,740,744,745, &end
#
#  chirality for residue 128 atoms:  CB CD HG2 HG3
 &rst iat=743,737,741,742, &end
#
#  chirality for residue 128 atoms:  CG N HD2 HD3
 &rst iat=740,736,738,739, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=736,748,747,743, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=752,757,755,756, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=754,760,758,759, &end
#
#  chirality for residue 129 atoms:  CD NZ HE2 HE3
 &rst iat=760,766,764,765, &end
#
#  chirality for residue 129 atoms:  CG CE HD2 HD3
 &rst iat=757,763,761,762, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=750,770,753,754, &end
#
#  chirality for residue 130 atoms:  CA CG2 OG1 HB
 &rst iat=774,778,782,777, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=772,784,775,776, &end
#
# 786 atoms read from pdb file StrIns_Amber.pdb.
# 3 VAL PHI:  (2 ILE C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -75.0 -45.0
 &rst     iat =    27,    29,    31,    43,
   r1 = -76.0, r2 = -75.0, r3 = -45.0, r4 = -44.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -315.0 -45.0
 &rst     iat =    43,    45,    47,    58,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -185.0  55.0
 &rst     iat =    43,    45,    47,    58,
   r1 = -186.0, r2 = -185.0, r3 =  55.0, r4 =  56.0,
 &end

# 4 GLU PHI:  (3 VAL C)-(4 GLU N)-(4 GLU CA)-(4 GLU C) -85.0 205.0
 &rst     iat =    43,    45,    47,    58,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 5 GLN PHI:  (4 GLU C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -65.0 -45.0
 &rst     iat =    58,    60,    62,    75,
   r1 = -66.0, r2 = -65.0, r3 = -45.0, r4 = -44.0,
 &end

# 6 CYS PHI:  (5 GLN C)-(6 CYX N)-(6 CYX CA)-(6 CYX C) -175.0 -65.0
 &rst     iat =    75,    77,    79,    85,
   r1 = -176.0, r2 = -175.0, r3 = -65.0, r4 = -64.0,
 &end

# 7 CYS PHI:  (6 CYX C)-(7 CYX N)-(7 CYX CA)-(7 CYX C) -165.0 -75.0
 &rst     iat =    85,    87,    89,    95,
   r1 = -166.0, r2 = -165.0, r3 = -75.0, r4 = -74.0,
 &end

# 8 THR PHI:  (7 CYX C)-(8 THR N)-(8 THR CA)-(8 THR C) -315.0 -45.0
 &rst     iat =    95,    97,    99,   109,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 8 THR PHI:  (7 CYX C)-(8 THR N)-(8 THR CA)-(8 THR C) -185.0  75.0
 &rst     iat =    95,    97,    99,   109,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 9 SER PHI:  (8 THR C)-(9 SER N)-(9 SER CA)-(9 SER C) -315.0 -45.0
 &rst     iat =   109,   111,   113,   120,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 9 SER PHI:  (8 THR C)-(9 SER N)-(9 SER CA)-(9 SER C) -185.0  75.0
 &rst     iat =   109,   111,   113,   120,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 10 ILE PHI:  (9 SER C)-(10 ILE N)-(10 ILE CA)-(10 ILE C)  45.0 285.0
 &rst     iat =   120,   122,   124,   139,
   r1 =  44.0, r2 =  45.0, r3 = 285.0, r4 = 286.0,
 &end

# 10 ILE PHI:  (9 SER C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -165.0  75.0
 &rst     iat =   120,   122,   124,   139,
   r1 = -166.0, r2 = -165.0, r3 =  75.0, r4 =  76.0,
 &end

# 11 CYS PHI:  (10 ILE C)-(11 CYX N)-(11 CYX CA)-(11 CYX C) -185.0 -45.0
 &rst     iat =   139,   141,   143,   149,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 13 LEU PHI:  (12 SER C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -65.0 -45.0
 &rst     iat =   160,   162,   164,   179,
   r1 = -66.0, r2 = -65.0, r3 = -45.0, r4 = -44.0,
 &end

# 14 TYR PHI:  (13 LEU C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -185.0 -45.0
 &rst     iat =   179,   181,   183,   200,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 14 TYR PHI:  (13 LEU C)-(14 TYR N)-(14 TYR CA)-(14 TYR C) -65.0 185.0
 &rst     iat =   179,   181,   183,   200,
   r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
 &end

# 15 GLN PHI:  (14 TYR C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -315.0 -45.0
 &rst     iat =   200,   202,   204,   217,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 15 GLN PHI:  (14 TYR C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -175.0  55.0
 &rst     iat =   200,   202,   204,   217,
   r1 = -176.0, r2 = -175.0, r3 =  55.0, r4 =  56.0,
 &end

# 16 LEU PHI:  (15 GLN C)-(16 LEU N)-(16 LEU CA)-(16 LEU C) -75.0 -45.0
 &rst     iat =   217,   219,   221,   236,
   r1 = -76.0, r2 = -75.0, r3 = -45.0, r4 = -44.0,
 &end

# 17 GLU PHI:  (16 LEU C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) -65.0 -45.0
 &rst     iat =   236,   238,   240,   251,
   r1 = -66.0, r2 = -65.0, r3 = -45.0, r4 = -44.0,
 &end

# 18 ASN PHI:  (17 GLU C)-(18 ASN N)-(18 ASN CA)-(18 ASN C) -185.0 -45.0
 &rst     iat =   251,   253,   255,   265,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 19 TYR PHI:  (18 ASN C)-(19 TYR N)-(19 TYR CA)-(19 TYR C)  55.0 285.0
 &rst     iat =   265,   267,   269,   286,
   r1 =  54.0, r2 =  55.0, r3 = 285.0, r4 = 286.0,
 &end

# 19 TYR PHI:  (18 ASN C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -165.0  65.0
 &rst     iat =   265,   267,   269,   286,
   r1 = -166.0, r2 = -165.0, r3 =  65.0, r4 =  66.0,
 &end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C)  45.0 305.0
 &rst     iat =   286,   288,   290,   296,
   r1 =  44.0, r2 =  45.0, r3 = 305.0, r4 = 306.0,
 &end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C) -185.0  75.0
 &rst     iat =   286,   288,   290,   296,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 20 CYS PHI:  (19 TYR C)-(20 CYX N)-(20 CYX CA)-(20 CYX C) -115.0 215.0
 &rst     iat =   286,   288,   290,   296,
   r1 = -116.0, r2 = -115.0, r3 = 215.0, r4 = 216.0,
 &end

# 102 VAL PHI:  (101 PHE C)-(102 VAL N)-(102 VAL CA)-(102 VAL C)  55.0 295.0
 &rst     iat =   333,   335,   337,   349,
   r1 =  54.0, r2 =  55.0, r3 = 295.0, r4 = 296.0,
 &end

# 102 VAL PHI:  (101 PHE C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -165.0  75.0
 &rst     iat =   333,   335,   337,   349,
   r1 = -166.0, r2 = -165.0, r3 =  75.0, r4 =  76.0,
 &end

# 103 ASN PHI:  (102 VAL C)-(103 ASN N)-(103 ASN CA)-(103 ASN C) -175.0 -65.0
 &rst     iat =   349,   351,   353,   363,
   r1 = -176.0, r2 = -175.0, r3 = -65.0, r4 = -64.0,
 &end

# 103 ASN PHI:  (102 VAL C)-(103 ASN N)-(103 ASN CA)-(103 ASN C) -125.0 225.0
 &rst     iat =   349,   351,   353,   363,
   r1 = -126.0, r2 = -125.0, r3 = 225.0, r4 = 226.0,
 &end

# 104 GLN PHI:  (103 ASN C)-(104 GLN N)-(104 GLN CA)-(104 GLN C)  45.0 295.0
 &rst     iat =   363,   365,   367,   380,
   r1 =  44.0, r2 =  45.0, r3 = 295.0, r4 = 296.0,
 &end

# 104 GLN PHI:  (103 ASN C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -175.0  75.0
 &rst     iat =   363,   365,   367,   380,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 104 GLN PHI:  (103 ASN C)-(104 GLN N)-(104 GLN CA)-(104 GLN C) -115.0 235.0
 &rst     iat =   363,   365,   367,   380,
   r1 = -116.0, r2 = -115.0, r3 = 235.0, r4 = 236.0,
 &end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C)  45.0 295.0
 &rst     iat =   380,   382,   384,   397,
   r1 =  44.0, r2 =  45.0, r3 = 295.0, r4 = 296.0,
 &end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C) -175.0  65.0
 &rst     iat =   380,   382,   384,   397,
   r1 = -176.0, r2 = -175.0, r3 =  65.0, r4 =  66.0,
 &end

# 105 HIS PHI:  (104 GLN C)-(105 HID N)-(105 HID CA)-(105 HID C) -105.0 225.0
 &rst     iat =   380,   382,   384,   397,
   r1 = -106.0, r2 = -105.0, r3 = 225.0, r4 = 226.0,
 &end

# 106 LEU PHI:  (105 HID C)-(106 LEU N)-(106 LEU CA)-(106 LEU C)  45.0 295.0
 &rst     iat =   397,   399,   401,   416,
   r1 =  44.0, r2 =  45.0, r3 = 295.0, r4 = 296.0,
 &end

# 106 LEU PHI:  (105 HID C)-(106 LEU N)-(106 LEU CA)-(106 LEU C) -185.0  75.0
 &rst     iat =   397,   399,   401,   416,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 107 CYS PHI:  (106 LEU C)-(107 CYX N)-(107 CYX CA)-(107 CYX C)  55.0 285.0
 &rst     iat =   416,   418,   420,   426,
   r1 =  54.0, r2 =  55.0, r3 = 285.0, r4 = 286.0,
 &end

# 107 CYS PHI:  (106 LEU C)-(107 CYX N)-(107 CYX CA)-(107 CYX C) -165.0  65.0
 &rst     iat =   416,   418,   420,   426,
   r1 = -166.0, r2 = -165.0, r3 =  65.0, r4 =  66.0,
 &end

# 108 GLY PHI:  (107 CYX C)-(108 GLY N)-(108 GLY CA)-(108 GLY C) -315.0 -45.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -305.0 -45.0
 &rst     iat =   444,   446,   448,   461,
   r1 = -306.0, r2 = -305.0, r3 = -45.0, r4 = -44.0,
 &end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -185.0  65.0
 &rst     iat =   444,   446,   448,   461,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 110 HIS PHI:  (109 SER C)-(110 HID N)-(110 HID CA)-(110 HID C) -95.0 245.0
 &rst     iat =   444,   446,   448,   461,
   r1 = -96.0, r2 = -95.0, r3 = 245.0, r4 = 246.0,
 &end

# 111 LEU PHI:  (110 HID C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -185.0 -45.0
 &rst     iat =   461,   463,   465,   480,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 112 VAL PHI:  (111 LEU C)-(112 VAL N)-(112 VAL CA)-(112 VAL C) -155.0 -65.0
 &rst     iat =   480,   482,   484,   496,
   r1 = -156.0, r2 = -155.0, r3 = -65.0, r4 = -64.0,
 &end

# 114 ALA PHI:  (113 GLU C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -185.0 -45.0
 &rst     iat =   511,   513,   515,   521,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 114 ALA PHI:  (113 GLU C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -65.0 185.0
 &rst     iat =   511,   513,   515,   521,
   r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
 &end

# 115 LEU PHI:  (114 ALA C)-(115 LEU N)-(115 LEU CA)-(115 LEU C) -185.0 -45.0
 &rst     iat =   521,   523,   525,   540,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 115 LEU PHI:  (114 ALA C)-(115 LEU N)-(115 LEU CA)-(115 LEU C) -65.0 185.0
 &rst     iat =   521,   523,   525,   540,
   r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
 &end

# 116 TYR PHI:  (115 LEU C)-(116 TYR N)-(116 TYR CA)-(116 TYR C) -185.0 -45.0
 &rst     iat =   540,   542,   544,   561,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 116 TYR PHI:  (115 LEU C)-(116 TYR N)-(116 TYR CA)-(116 TYR C) -65.0 185.0
 &rst     iat =   540,   542,   544,   561,
   r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
 &end

# 117 LEU PHI:  (116 TYR C)-(117 LEU N)-(117 LEU CA)-(117 LEU C) -75.0 -45.0
 &rst     iat =   561,   563,   565,   580,
   r1 = -76.0, r2 = -75.0, r3 = -45.0, r4 = -44.0,
 &end

# 118 VAL PHI:  (117 LEU C)-(118 VAL N)-(118 VAL CA)-(118 VAL C) -155.0 -45.0
 &rst     iat =   580,   582,   584,   596,
   r1 = -156.0, r2 = -155.0, r3 = -45.0, r4 = -44.0,
 &end

# 120 GLY PHI:  (119 CYX C)-(120 GLY N)-(120 GLY CA)-(120 GLY C) -315.0 -45.0
 &rst     iat =   606,   608,   610,   613,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C)  45.0 305.0
 &rst     iat =   628,   630,   632,   652,
   r1 =  44.0, r2 =  45.0, r3 = 305.0, r4 = 306.0,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -185.0  65.0
 &rst     iat =   628,   630,   632,   652,
   r1 = -186.0, r2 = -185.0, r3 =  65.0, r4 =  66.0,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -125.0 215.0
 &rst     iat =   628,   630,   632,   652,
   r1 = -126.0, r2 = -125.0, r3 = 215.0, r4 = 216.0,
 &end

# 123 GLY PHI:  (122 ARG C)-(123 GLY N)-(123 GLY CA)-(123 GLY C) -315.0 -45.0
 &rst     iat =   652,   654,   656,   659,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 124 PHE PHI:  (123 GLY C)-(124 PHE N)-(124 PHE CA)-(124 PHE C) -315.0 -45.0
 &rst     iat =   659,   661,   663,   679,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 124 PHE PHI:  (123 GLY C)-(124 PHE N)-(124 PHE CA)-(124 PHE C) -185.0  75.0
 &rst     iat =   659,   661,   663,   679,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 125 PHE PHI:  (124 PHE C)-(125 PHE N)-(125 PHE CA)-(125 PHE C) -315.0 -45.0
 &rst     iat =   679,   681,   683,   699,
   r1 = -316.0, r2 = -315.0, r3 = -45.0, r4 = -44.0,
 &end

# 125 PHE PHI:  (124 PHE C)-(125 PHE N)-(125 PHE CA)-(125 PHE C) -185.0  75.0
 &rst     iat =   679,   681,   683,   699,
   r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
 &end

# 125 PHE PHI:  (124 PHE C)-(125 PHE N)-(125 PHE CA)-(125 PHE C) -125.0 215.0
 &rst     iat =   679,   681,   683,   699,
   r1 = -126.0, r2 = -125.0, r3 = 215.0, r4 = 216.0,
 &end

# 126 TYR PHI:  (125 PHE C)-(126 TYR N)-(126 TYR CA)-(126 TYR C) -185.0 -45.0
 &rst     iat =   699,   701,   703,   720,
   r1 = -186.0, r2 = -185.0, r3 = -45.0, r4 = -44.0,
 &end

# 126 TYR PHI:  (125 PHE C)-(126 TYR N)-(126 TYR CA)-(126 TYR C) -75.0 195.0
 &rst     iat =   699,   701,   703,   720,
   r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
 &end

# 127 THR PHI:  (126 TYR C)-(127 THR N)-(127 THR CA)-(127 THR C)  45.0 315.0
 &rst     iat =   720,   722,   724,   734,
   r1 =  44.0, r2 =  45.0, r3 = 315.0, r4 = 316.0,
 &end

# 127 THR PHI:  (126 TYR C)-(127 THR N)-(127 THR CA)-(127 THR C) -165.0  75.0
 &rst     iat =   720,   722,   724,   734,
   r1 = -166.0, r2 = -165.0, r3 =  75.0, r4 =  76.0,
 &end

# 129 LYS PHI:  (128 PRO C)-(129 LYS N)-(129 LYS CA)-(129 LYS C)  45.0 325.0
 &rst     iat =   748,   750,   752,   770,
   r1 =  44.0, r2 =  45.0, r3 = 325.0, r4 = 326.0,
 &end

# 129 LYS PHI:  (128 PRO C)-(129 LYS N)-(129 LYS CA)-(129 LYS C) -175.0  75.0
 &rst     iat =   748,   750,   752,   770,
   r1 = -176.0, r2 = -175.0, r3 =  75.0, r4 =  76.0,
 &end

# 129 LYS PHI:  (128 PRO C)-(129 LYS N)-(129 LYS CA)-(129 LYS C) -115.0 235.0
 &rst     iat =   748,   750,   752,   770,
   r1 = -116.0, r2 = -115.0, r3 = 235.0, r4 = 236.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -2.403  10.660  -1.755
    2    H2   GLY   1           H2       GLY   1  -4.024  10.740  -1.481
    3    H3   GLY   1           H3       GLY   1  -3.440  10.883  -3.000
    4    HA2  GLY   1           HA2      GLY   1  -3.181   8.440  -1.363
    5    HA3  GLY   1           HA3      GLY   1  -4.408   8.678  -2.626
    6    H    ILE   2           H        ILE   2  -3.149   6.573  -3.287
    7    HA   ILE   2           HA       ILE   2  -0.435   6.902  -4.194
    8    HB   ILE   2           HB       ILE   2  -0.555   4.685  -5.120
    9   HG12  ILE   2          HG12      ILE   2  -3.478   4.578  -4.284
   10   HG13  ILE   2          HG13      ILE   2  -2.896   4.661  -5.950
   11   HG21  ILE   2          HG21      ILE   2  -1.807   4.847  -2.361
   12   HG22  ILE   2          HG22      ILE   2  -0.732   3.574  -2.990
   13   HG23  ILE   2          HG23      ILE   2  -0.100   5.191  -2.712
   14   HD11  ILE   2          HD11      ILE   2  -2.416   2.389  -3.977
   15   HD12  ILE   2          HD12      ILE   2  -3.370   2.356  -5.463
   16   HD13  ILE   2          HD13      ILE   2  -1.615   2.522  -5.564
   17    H    VAL   3           H        VAL   3  -3.406   7.389  -5.986
   18    HA   VAL   3           HA       VAL   3  -2.179   7.468  -8.577
   19    HB   VAL   3           HB       VAL   3  -4.583   8.868  -7.433
   20   HG11  VAL   3          HG11      VAL   3  -5.332   9.404  -9.746
   21   HG12  VAL   3          HG12      VAL   3  -3.938  10.354  -9.248
   22   HG13  VAL   3          HG13      VAL   3  -3.717   8.974 -10.350
   23   HG21  VAL   3          HG21      VAL   3  -5.825   7.233  -8.786
   24   HG22  VAL   3          HG22      VAL   3  -4.306   6.630  -9.494
   25   HG23  VAL   3          HG23      VAL   3  -4.654   6.379  -7.774
   26    H    GLU   4           H        GLU   4  -1.801   9.726  -5.910
   27    HA   GLU   4           HA       GLU   4  -0.187  11.538  -7.668
   28    HB2  GLU   4           HB2      GLU   4  -1.729  12.614  -6.071
   29    HB3  GLU   4           HB3      GLU   4  -0.904  11.817  -4.726
   30    HG2  GLU   4           HG2      GLU   4   1.201  13.008  -5.351
   31    HG3  GLU   4           HG3      GLU   4   0.363  13.767  -6.704
   32    H    GLN   5           H        GLN   5   0.131   9.595  -4.611
   33    HA   GLN   5           HA       GLN   5   2.870  10.167  -4.297
   34    HB2  GLN   5           HB2      GLN   5   1.365   9.381  -2.496
   35    HB3  GLN   5           HB3      GLN   5   1.279   7.792  -3.246
   36    HG2  GLN   5           HG2      GLN   5   2.803   7.765  -1.349
   37    HG3  GLN   5           HG3      GLN   5   3.664   7.389  -2.827
   38   HE21  GLN   5          HE21      GLN   5   5.666   8.488  -3.035
   39   HE22  GLN   5          HE22      GLN   5   6.004  10.000  -2.212
   40    H    CYS   6           H        CYS   6   1.415   7.450  -6.167
   41    HA   CYS   6           HA       CYS   6   4.087   6.273  -6.603
   42    HB2  CYS   6           HB2      CYS   6   1.311   5.617  -7.644
   43    HB3  CYS   6           HB3      CYS   6   2.763   4.761  -8.102
   44    H    CYS   7           H        CYS   7   1.948   8.490  -8.247
   45    HA   CYS   7           HA       CYS   7   3.332   8.045 -10.846
   46    HB2  CYS   7           HB2      CYS   7   0.873   7.991 -10.750
   47    HB3  CYS   7           HB3      CYS   7   0.858   9.651 -10.160
   48    H    THR   8           H        THR   8   2.331  10.921  -8.948
   49    HA   THR   8           HA       THR   8   4.063  12.756 -10.402
   50    HB   THR   8           HB       THR   8   2.544  13.139  -7.782
   51    HG1  THR   8           HG1      THR   8   0.963  14.010  -9.229
   52   HG21  THR   8          HG21      THR   8   4.176  14.944  -8.225
   53   HG22  THR   8          HG22      THR   8   2.521  15.523  -8.452
   54   HG23  THR   8          HG23      THR   8   3.528  15.143  -9.870
   55    H    SER   9           H        SER   9   4.103  11.149  -7.244
   56    HA   SER   9           HA       SER   9   7.040  11.756  -6.998
   57    HG   SER   9           HG       SER   9   7.060  11.897  -3.637
   58    HB2  SER   9           HB2      SER   9   5.549  12.490  -5.119
   59    HB3  SER   9           HB3      SER   9   5.207  10.782  -4.796
   60    H    ILE  10           H        ILE  10   7.612   9.580  -5.318
   61    HA   ILE  10           HA       ILE  10   7.346   7.199  -7.148
   62    HB   ILE  10           HB       ILE  10   9.645   8.178  -5.416
   63   HG12  ILE  10          HG12      ILE  10   9.364   7.326  -8.334
   64   HG13  ILE  10          HG13      ILE  10   9.520   8.980  -7.730
   65   HG21  ILE  10          HG21      ILE  10   9.412   5.365  -6.546
   66   HG22  ILE  10          HG22      ILE  10  10.842   6.078  -5.761
   67   HG23  ILE  10          HG23      ILE  10   9.401   5.798  -4.823
   68   HD11  ILE  10          HD11      ILE  10  11.660   6.827  -7.727
   69   HD12  ILE  10          HD12      ILE  10  11.643   8.354  -8.615
   70   HD13  ILE  10          HD13      ILE  10  11.811   8.374  -6.845
   71    H    CYS  11           H        CYS  11   6.821   5.236  -6.289
   72    HA   CYS  11           HA       CYS  11   6.514   5.017  -3.349
   73    HB2  CYS  11           HB2      CYS  11   4.372   4.109  -3.382
   74    HB3  CYS  11           HB3      CYS  11   4.273   5.525  -4.401
   75    H    SER  12           H        SER  12   6.342   2.810  -2.583
   76    HA   SER  12           HA       SER  12   7.998   0.935  -4.217
   77    HG   SER  12           HG       SER  12   7.778   0.787  -0.161
   78    HB2  SER  12           HB2      SER  12   8.617  -0.122  -2.173
   79    HB3  SER  12           HB3      SER  12   8.813   1.624  -1.955
   80    H    LEU  13           H        LEU  13   7.562  -1.385  -4.123
   81    HA   LEU  13           HA       LEU  13   4.811  -2.160  -4.532
   82    HG   LEU  13           HG       LEU  13   7.802  -2.721  -5.913
   83    HB2  LEU  13           HB2      LEU  13   7.252  -3.846  -3.831
   84    HB3  LEU  13           HB3      LEU  13   5.738  -4.437  -4.470
   85   HD11  LEU  13          HD11      LEU  13   8.298  -5.132  -5.704
   86   HD12  LEU  13          HD12      LEU  13   7.991  -4.668  -7.389
   87   HD13  LEU  13          HD13      LEU  13   6.741  -5.523  -6.462
   88   HD21  LEU  13          HD21      LEU  13   6.369  -2.904  -7.940
   89   HD22  LEU  13          HD22      LEU  13   5.634  -1.910  -6.683
   90   HD23  LEU  13          HD23      LEU  13   5.067  -3.579  -6.944
   91    H    TYR  14           H        TYR  14   6.918  -2.179  -1.684
   92    HA   TYR  14           HA       TYR  14   5.156  -3.570   0.093
   93    HD1  TYR  14           HD2      TYR  14   6.357  -4.685   2.295
   94    HD2  TYR  14           HD1      TYR  14   6.782  -0.406   2.610
   95    HE1  TYR  14           HE2      TYR  14   5.962  -4.829   4.750
   96    HE2  TYR  14           HE1      TYR  14   6.375  -0.537   5.057
   97    HH   TYR  14           HH       TYR  14   5.776  -3.664   6.731
   98    HB2  TYR  14           HB2      TYR  14   7.525  -3.254   0.515
   99    HB3  TYR  14           HB3      TYR  14   7.334  -1.509   0.568
  100    H    GLN  15           H        GLN  15   5.286  -0.172  -0.904
  101    HA   GLN  15           HA       GLN  15   3.160   0.694   0.939
  102    HB2  GLN  15           HB2      GLN  15   4.461   1.940  -1.504
  103    HB3  GLN  15           HB3      GLN  15   3.101   2.684  -0.666
  104    HG2  GLN  15           HG2      GLN  15   4.315   2.866   1.399
  105    HG3  GLN  15           HG3      GLN  15   5.675   1.926   0.788
  106   HE21  GLN  15          HE21      GLN  15   5.555   4.803   1.831
  107   HE22  GLN  15          HE22      GLN  15   6.263   5.723   0.512
  108    H    LEU  16           H        LEU  16   3.212  -0.372  -2.527
  109    HA   LEU  16           HA       LEU  16   0.396  -0.058  -2.951
  110    HG   LEU  16           HG       LEU  16   2.859   0.295  -4.794
  111    HB2  LEU  16           HB2      LEU  16   2.382  -2.059  -4.106
  112    HB3  LEU  16           HB3      LEU  16   0.737  -1.887  -4.677
  113   HD11  LEU  16          HD11      LEU  16   3.262  -1.611  -6.336
  114   HD12  LEU  16          HD12      LEU  16   2.840  -0.135  -7.209
  115   HD13  LEU  16          HD13      LEU  16   1.627  -1.420  -6.993
  116   HD21  LEU  16          HD21      LEU  16   0.656   1.336  -4.617
  117   HD22  LEU  16          HD22      LEU  16   0.004   0.252  -5.871
  118   HD23  LEU  16          HD23      LEU  16   1.241   1.457  -6.277
  119    H    GLU  17           H        GLU  17   2.171  -2.710  -1.376
  120    HA   GLU  17           HA       GLU  17   0.068  -4.551  -1.189
  121    HB2  GLU  17           HB2      GLU  17   2.547  -4.824  -0.638
  122    HB3  GLU  17           HB3      GLU  17   2.178  -4.139   0.951
  123    HG2  GLU  17           HG2      GLU  17   0.583  -5.997   1.361
  124    HG3  GLU  17           HG3      GLU  17   0.908  -6.638  -0.258
  125    H    ASN  18           H        ASN  18   0.427  -1.567   0.639
  126    HA   ASN  18           HA       ASN  18  -1.360  -2.182   2.825
  127    HB2  ASN  18           HB2      ASN  18   0.279  -0.325   2.840
  128    HB3  ASN  18           HB3      ASN  18  -0.582   0.456   1.508
  129   HD21  ASN  18          HD21      ASN  18  -2.209   1.895   2.004
  130   HD22  ASN  18          HD22      ASN  18  -2.898   2.063   3.605
  131    H    TYR  19           H        TYR  19  -1.917  -1.346  -0.552
  132    HA   TYR  19           HA       TYR  19  -4.741  -0.585  -0.084
  133    HD1  TYR  19           HD1      TYR  19  -5.266   2.026  -0.833
  134    HD2  TYR  19           HD2      TYR  19  -1.137   0.948  -1.378
  135    HE1  TYR  19           HE1      TYR  19  -4.562   4.092   0.369
  136    HE2  TYR  19           HE2      TYR  19  -0.424   2.996  -0.174
  137    HH   TYR  19           HH       TYR  19  -1.111   4.922   0.889
  138    HB2  TYR  19           HB2      TYR  19  -2.876  -0.329  -2.471
  139    HB3  TYR  19           HB3      TYR  19  -4.547   0.200  -2.437
  140    H    CYS  20           H        CYS  20  -3.211  -3.451  -0.595
  141    HA   CYS  20           HA       CYS  20  -5.098  -4.803  -2.337
  142    HB2  CYS  20           HB2      CYS  20  -3.470  -5.900  -0.026
  143    HB3  CYS  20           HB3      CYS  20  -4.231  -6.834  -1.315
  144    H    ASN  21           H        ASN  21  -6.746  -6.308  -1.694
  145    HA   ASN  21           HA       ASN  21  -8.636  -5.264   0.220
  146    HB2  ASN  21           HB2      ASN  21  -9.274  -6.399  -1.909
  147    HB3  ASN  21           HB3      ASN  21  -8.557  -7.903  -1.315
  148   HD21  ASN  21          HD21      ASN  21 -11.078  -5.472  -0.451
  149   HD22  ASN  21          HD22      ASN  21 -12.150  -6.669   0.263
  150    HA   PHE   1           HA       PHE   1  11.267  -5.606  -3.238
  151    HD1  PHE   1           HD1      PHE   1  10.428  -1.668  -2.091
  152    HD2  PHE   1           HD2      PHE   1  10.195  -4.796   0.881
  153    HE1  PHE   1           HE1      PHE   1  10.623   0.019  -0.287
  154    HE2  PHE   1           HE2      PHE   1  10.362  -3.095   2.676
  155    HZ   PHE   1           HZ       PHE   1  10.570  -0.690   2.101
  156    H1   PHE   1           H1       PHE   1  12.740  -4.622  -0.895
  157    H2   PHE   1           H2       PHE   1  13.345  -5.610  -2.048
  158    H3   PHE   1           H3       PHE   1  12.123  -6.131  -1.088
  159    HB2  PHE   1           HB2      PHE   1   9.468  -4.044  -2.574
  160    HB3  PHE   1           HB3      PHE   1   9.743  -5.303  -1.405
  161    H    VAL   2           H        VAL   2  10.429  -3.513  -4.516
  162    HA   VAL   2           HA       VAL   2  12.696  -1.594  -4.882
  163    HB   VAL   2           HB       VAL   2  12.314  -1.610  -7.295
  164   HG11  VAL   2          HG11      VAL   2  14.069  -3.052  -6.316
  165   HG12  VAL   2          HG12      VAL   2  12.920  -4.408  -6.262
  166   HG13  VAL   2          HG13      VAL   2  13.407  -3.722  -7.817
  167   HG21  VAL   2          HG21      VAL   2   9.956  -2.359  -7.385
  168   HG22  VAL   2          HG22      VAL   2  10.997  -3.339  -8.421
  169   HG23  VAL   2          HG23      VAL   2  10.460  -3.987  -6.865
  170    H    ASN   3           H        ASN   3  12.032   0.318  -6.225
  171    HA   ASN   3           HA       ASN   3   9.259   1.220  -5.827
  172    HB2  ASN   3           HB2      ASN   3  10.046   3.326  -4.760
  173    HB3  ASN   3           HB3      ASN   3  10.374   1.904  -3.783
  174   HD21  ASN   3          HD21      ASN   3  11.919   4.427  -5.809
  175   HD22  ASN   3          HD22      ASN   3  13.528   4.109  -5.204
  176    H    GLN   4           H        GLN   4   8.549   2.892  -7.178
  177    HA   GLN   4           HA       GLN   4  10.246   3.756  -9.448
  178    HB2  GLN   4           HB2      GLN   4   7.928   1.767  -9.621
  179    HB3  GLN   4           HB3      GLN   4   8.481   2.677 -11.014
  180    HG2  GLN   4           HG2      GLN   4  10.198   0.666  -9.504
  181    HG3  GLN   4           HG3      GLN   4   9.317   0.372 -10.984
  182   HE21  GLN   4          HE21      GLN   4  12.147   2.062  -9.633
  183   HE22  GLN   4          HE22      GLN   4  12.853   2.414 -11.212
  184    H    HIS   5           H        HIS   5   8.963   4.996 -11.063
  185    HA   HIS   5           HA       HIS   5   6.603   6.450  -9.996
  186    HD1  HIS   5           HD1      HIS   5   6.492   9.490 -10.516
  187    HD2  HIS   5           HD2      HIS   5  10.315   7.996 -11.461
  188    HE1  HIS   5           HE1      HIS   5   8.156  11.261  -9.774
  189    HB2  HIS   5           HB2      HIS   5   8.242   6.710 -12.547
  190    HB3  HIS   5           HB3      HIS   5   6.667   7.462 -12.343
  191    H    LEU   6           H        LEU   6   4.622   5.697 -10.445
  192    HA   LEU   6           HA       LEU   6   4.045   3.834 -12.696
  193    HG   LEU   6           HG       LEU   6   5.680   2.461 -10.578
  194    HB2  LEU   6           HB2      LEU   6   3.493   3.441  -9.726
  195    HB3  LEU   6           HB3      LEU   6   2.660   2.530 -10.978
  196   HD11  LEU   6          HD11      LEU   6   5.266   0.262  -9.495
  197   HD12  LEU   6          HD12      LEU   6   3.516   0.594  -9.547
  198   HD13  LEU   6          HD13      LEU   6   4.594   1.625  -8.581
  199   HD21  LEU   6          HD21      LEU   6   5.506   0.376 -11.934
  200   HD22  LEU   6          HD22      LEU   6   4.964   1.788 -12.854
  201   HD23  LEU   6          HD23      LEU   6   3.768   0.669 -12.164
  202    H    CYS   7           H        CYS   7   2.263   4.527 -13.752
  203    HA   CYS   7           HA       CYS   7   0.305   6.343 -12.399
  204    HB2  CYS   7           HB2      CYS   7   1.577   6.623 -15.147
  205    HB3  CYS   7           HB3      CYS   7   0.296   7.646 -14.518
  206    H    GLY   8           H        GLY   8  -1.771   6.129 -13.014
  207    HA2  GLY   8           HA2      GLY   8  -3.725   5.307 -13.969
  208    HA3  GLY   8           HA3      GLY   8  -2.791   5.371 -15.458
  209    H    SER   9           H        SER   9  -2.947   3.541 -16.586
  210    HA   SER   9           HA       SER   9  -3.959   1.073 -15.582
  211    HG   SER   9           HG       SER   9  -4.375   1.781 -19.087
  212    HB2  SER   9           HB2      SER   9  -2.302   1.554 -18.088
  213    HB3  SER   9           HB3      SER   9  -3.365   0.173 -17.770
  214    H    HIS  10           H        HIS  10  -0.624   2.281 -15.918
  215    HA   HIS  10           HA       HIS  10   0.644  -0.296 -15.455
  216    HD1  HIS  10           HD1      HIS  10   1.650   3.968 -17.187
  217    HD2  HIS  10           HD2      HIS  10   1.603  -0.170 -17.961
  218    HE1  HIS  10           HE1      HIS  10   1.460   3.716 -19.710
  219    HB2  HIS  10           HB2      HIS  10   1.793   2.487 -15.065
  220    HB3  HIS  10           HB3      HIS  10   2.677   0.997 -15.383
  221    H    LEU  11           H        LEU  11  -0.296   2.459 -13.388
  222    HA   LEU  11           HA       LEU  11   0.727   1.404 -10.903
  223    HG   LEU  11           HG       LEU  11  -1.878   2.565  -9.240
  224    HB2  LEU  11           HB2      LEU  11   0.137   3.762 -11.187
  225    HB3  LEU  11           HB3      LEU  11  -1.533   3.355 -11.536
  226   HD11  LEU  11          HD11      LEU  11   0.321   1.705  -8.643
  227   HD12  LEU  11          HD12      LEU  11  -0.097   3.003  -7.524
  228   HD13  LEU  11          HD13      LEU  11   1.052   3.311  -8.846
  229   HD21  LEU  11          HD21      LEU  11  -2.245   4.945  -9.803
  230   HD22  LEU  11          HD22      LEU  11  -0.560   5.310  -9.376
  231   HD23  LEU  11          HD23      LEU  11  -1.697   4.755  -8.129
  232    H    VAL  12           H        VAL  12  -2.518   1.216 -12.432
  233    HA   VAL  12           HA       VAL  12  -3.652  -0.471 -10.429
  234    HB   VAL  12           HB       VAL  12  -4.392  -0.008 -13.334
  235   HG11  VAL  12          HG11      VAL  12  -5.967  -1.594 -11.266
  236   HG12  VAL  12          HG12      VAL  12  -6.618  -1.010 -12.811
  237   HG13  VAL  12          HG13      VAL  12  -5.323  -2.210 -12.806
  238   HG21  VAL  12          HG21      VAL  12  -4.664   1.908 -11.735
  239   HG22  VAL  12          HG22      VAL  12  -6.220   1.331 -12.365
  240   HG23  VAL  12          HG23      VAL  12  -5.706   0.889 -10.722
  241    H    GLU  13           H        GLU  13  -1.888  -1.359 -13.414
  242    HA   GLU  13           HA       GLU  13  -2.156  -4.195 -13.133
  243    HB2  GLU  13           HB2      GLU  13  -1.456  -2.998 -15.180
  244    HB3  GLU  13           HB3      GLU  13   0.083  -2.581 -14.425
  245    HG2  GLU  13           HG2      GLU  13   0.686  -4.955 -14.266
  246    HG3  GLU  13           HG3      GLU  13  -0.908  -5.433 -14.851
  247    H    ALA  14           H        ALA  14   0.470  -1.960 -12.014
  248    HA   ALA  14           HA       ALA  14   2.089  -3.978 -10.805
  249    HB1  ALA  14           HB1      ALA  14   3.128  -2.074  -9.608
  250    HB2  ALA  14           HB2      ALA  14   2.872  -1.702 -11.326
  251    HB3  ALA  14           HB3      ALA  14   1.783  -1.024 -10.101
  252    H    LEU  15           H        LEU  15  -0.501  -1.949  -9.384
  253    HA   LEU  15           HA       LEU  15  -0.432  -3.009  -6.747
  254    HG   LEU  15           HG       LEU  15  -3.670  -2.881  -6.401
  255    HB2  LEU  15           HB2      LEU  15  -1.583  -0.941  -7.461
  256    HB3  LEU  15           HB3      LEU  15  -2.724  -1.879  -8.415
  257   HD11  LEU  15          HD11      LEU  15  -1.693  -2.912  -4.906
  258   HD12  LEU  15          HD12      LEU  15  -3.062  -2.089  -4.152
  259   HD13  LEU  15          HD13      LEU  15  -1.724  -1.133  -4.826
  260   HD21  LEU  15          HD21      LEU  15  -4.701  -0.814  -5.488
  261   HD22  LEU  15          HD22      LEU  15  -4.544  -0.725  -7.254
  262   HD23  LEU  15          HD23      LEU  15  -3.406   0.154  -6.220
  263    H    TYR  16           H        TYR  16  -2.476  -4.054  -9.543
  264    HA   TYR  16           HA       TYR  16  -3.624  -6.306  -8.277
  265    HD1  TYR  16           HD2      TYR  16  -5.476  -7.636  -9.058
  266    HD2  TYR  16           HD1      TYR  16  -2.856  -7.800 -12.483
  267    HE1  TYR  16           HE2      TYR  16  -6.260  -9.939  -9.541
  268    HE2  TYR  16           HE1      TYR  16  -3.647 -10.102 -12.976
  269    HH   TYR  16           HH       TYR  16  -5.009 -11.838 -12.323
  270    HB2  TYR  16           HB2      TYR  16  -4.432  -5.463 -10.413
  271    HB3  TYR  16           HB3      TYR  16  -2.901  -5.845 -11.186
  272    H    LEU  17           H        LEU  17  -0.473  -6.092  -9.958
  273    HA   LEU  17           HA       LEU  17   0.146  -8.909  -9.658
  274    HG   LEU  17           HG       LEU  17   0.274  -7.311 -12.103
  275    HB2  LEU  17           HB2      LEU  17   1.841  -6.458 -10.245
  276    HB3  LEU  17           HB3      LEU  17   2.517  -8.073 -10.178
  277   HD11  LEU  17          HD11      LEU  17   3.283  -7.479 -12.587
  278   HD12  LEU  17          HD12      LEU  17   2.314  -5.990 -12.566
  279   HD13  LEU  17          HD13      LEU  17   2.042  -7.209 -13.830
  280   HD21  LEU  17          HD21      LEU  17   2.144  -9.721 -12.001
  281   HD22  LEU  17          HD22      LEU  17   0.990  -9.362 -13.300
  282   HD23  LEU  17          HD23      LEU  17   0.391  -9.736 -11.680
  283    H    VAL  18           H        VAL  18   0.799  -6.132  -7.599
  284    HA   VAL  18           HA       VAL  18   2.383  -7.586  -5.652
  285    HB   VAL  18           HB       VAL  18   0.802  -5.000  -5.487
  286   HG11  VAL  18          HG11      VAL  18   1.929  -4.570  -3.315
  287   HG12  VAL  18          HG12      VAL  18   0.745  -5.863  -3.207
  288   HG13  VAL  18          HG13      VAL  18   2.475  -6.260  -3.275
  289   HG21  VAL  18          HG21      VAL  18   3.042  -3.995  -5.382
  290   HG22  VAL  18          HG22      VAL  18   3.795  -5.600  -5.340
  291   HG23  VAL  18          HG23      VAL  18   2.960  -5.043  -6.800
  292    H    CYS  19           H        CYS  19  -1.118  -6.881  -5.897
  293    HA   CYS  19           HA       CYS  19  -1.713  -8.221  -3.378
  294    HB2  CYS  19           HB2      CYS  19  -3.555  -7.196  -5.568
  295    HB3  CYS  19           HB3      CYS  19  -4.037  -7.644  -3.938
  296    H    GLY  20           H        GLY  20  -1.835  -9.237  -6.739
  297    HA2  GLY  20           HA2      GLY  20  -2.270 -11.318  -7.709
  298    HA3  GLY  20           HA3      GLY  20  -2.450 -12.027  -6.092
  299    H    GLU  21           H        GLU  21  -4.246 -13.182  -7.023
  300    HA   GLU  21           HA       GLU  21  -6.615 -11.971  -8.054
  301    HB2  GLU  21           HB2      GLU  21  -6.177 -14.666  -6.707
  302    HB3  GLU  21           HB3      GLU  21  -7.643 -14.195  -7.561
  303    HG2  GLU  21           HG2      GLU  21  -6.369 -13.872  -9.654
  304    HG3  GLU  21           HG3      GLU  21  -4.881 -14.369  -8.843
  305    H    ARG  22           H        ARG  22  -5.508 -11.917  -4.825
  306    HA   ARG  22           HA       ARG  22  -7.907 -11.899  -3.307
  307    HE   ARG  22           HE       ARG  22  -3.680 -10.720  -0.993
  308    HB2  ARG  22           HB2      ARG  22  -5.647 -12.038  -2.388
  309    HB3  ARG  22           HB3      ARG  22  -5.273 -10.408  -2.960
  310    HG2  ARG  22           HG2      ARG  22  -6.701  -9.379  -1.371
  311    HG3  ARG  22           HG3      ARG  22  -7.533 -10.898  -1.004
  312    HD2  ARG  22           HD2      ARG  22  -6.024 -10.306   0.820
  313    HD3  ARG  22           HD3      ARG  22  -5.536 -11.806   0.049
  314   HH11  ARG  22          HH21      ARG  22  -5.315  -8.440   1.191
  315   HH12  ARG  22          HH22      ARG  22  -3.808  -7.703   1.658
  316   HH21  ARG  22          HH12      ARG  22  -1.831  -9.591  -0.476
  317   HH22  ARG  22          HH11      ARG  22  -1.895  -8.245   0.620
  318    H    GLY  23           H        GLY  23  -6.511  -9.392  -5.392
  319    HA2  GLY  23           HA2      GLY  23  -7.618  -7.554  -6.329
  320    HA3  GLY  23           HA3      GLY  23  -8.978  -7.778  -5.218
  321    H    PHE  24           H        PHE  24  -8.644  -5.354  -5.425
  322    HA   PHE  24           HA       PHE  24  -7.077  -4.185  -3.231
  323    HD1  PHE  24           HD2      PHE  24  -6.891  -1.583  -6.530
  324    HD2  PHE  24           HD1      PHE  24  -5.973  -5.759  -7.048
  325    HE1  PHE  24           HE2      PHE  24  -7.452  -1.409  -8.940
  326    HE2  PHE  24           HE1      PHE  24  -6.589  -5.588  -9.452
  327    HZ   PHE  24           HZ       PHE  24  -7.312  -3.412 -10.400
  328    HB2  PHE  24           HB2      PHE  24  -5.648  -2.896  -4.769
  329    HB3  PHE  24           HB3      PHE  24  -5.386  -4.609  -4.977
  330    H    PHE  25           H        PHE  25  -7.125  -1.767  -3.336
  331    HA   PHE  25           HA       PHE  25  -9.055  -0.481  -5.108
  332    HD1  PHE  25           HD1      PHE  25 -11.675   0.396  -4.963
  333    HD2  PHE  25           HD2      PHE  25  -9.464   1.993  -1.622
  334    HE1  PHE  25           HE1      PHE  25 -12.806   2.582  -5.261
  335    HE2  PHE  25           HE2      PHE  25 -10.591   4.182  -1.928
  336    HZ   PHE  25           HZ       PHE  25 -12.266   4.483  -3.742
  337    HB2  PHE  25           HB2      PHE  25 -10.518  -1.091  -3.244
  338    HB3  PHE  25           HB3      PHE  25  -9.402  -0.369  -2.089
  339    H    TYR  26           H        TYR  26  -7.785   1.074  -5.984
  340    HA   TYR  26           HA       TYR  26  -5.544   2.236  -4.557
  341    HD1  TYR  26           HD2      TYR  26  -6.764   5.113  -7.386
  342    HD2  TYR  26           HD1      TYR  26  -7.359   0.917  -8.199
  343    HE1  TYR  26           HE2      TYR  26  -8.470   5.690  -9.094
  344    HE2  TYR  26           HE1      TYR  26  -9.072   1.492  -9.913
  345    HH   TYR  26           HH       TYR  26 -10.216   3.181 -10.975
  346    HB2  TYR  26           HB2      TYR  26  -5.153   3.407  -6.630
  347    HB3  TYR  26           HB3      TYR  26  -5.398   1.701  -6.937
  348    H    THR  27           H        THR  27  -5.285   4.337  -3.841
  349    HA   THR  27           HA       THR  27  -7.723   5.945  -3.440
  350    HB   THR  27           HB       THR  27  -6.204   7.329  -1.966
  351    HG1  THR  27           HG1      THR  27  -4.352   5.929  -1.287
  352   HG21  THR  27          HG21      THR  27  -7.766   5.593  -1.105
  353   HG22  THR  27          HG22      THR  27  -6.297   5.712  -0.126
  354   HG23  THR  27          HG23      THR  27  -6.490   4.367  -1.282
  355    HA   PRO  28           HA       PRO  28  -6.783   8.589  -6.791
  356    HB2  PRO  28           HB2      PRO  28  -8.405  10.719  -6.315
  357    HB3  PRO  28           HB3      PRO  28  -9.046   9.073  -6.580
  358    HG2  PRO  28           HG2      PRO  28  -8.476  10.426  -3.914
  359    HG3  PRO  28           HG3      PRO  28 -10.013   9.667  -4.453
  360    HD2  PRO  28           HD2      PRO  28  -8.193   8.289  -2.971
  361    HD3  PRO  28           HD3      PRO  28  -9.108   7.497  -4.289
  362    H    LYS  29           H        LYS  29  -6.490  11.271  -7.044
  363    HA   LYS  29           HA       LYS  29  -3.824  11.717  -6.389
  364    HB2  LYS  29           HB2      LYS  29  -5.191  12.807  -8.176
  365    HB3  LYS  29           HB3      LYS  29  -5.982  13.803  -6.947
  366    HG2  LYS  29           HG2      LYS  29  -3.719  14.726  -6.319
  367    HG3  LYS  29           HG3      LYS  29  -3.002  13.795  -7.642
  368    HD2  LYS  29           HD2      LYS  29  -5.117  15.971  -7.933
  369    HD3  LYS  29           HD3      LYS  29  -3.384  16.175  -8.214
  370    HE2  LYS  29           HE2      LYS  29  -3.461  14.468 -10.023
  371    HE3  LYS  29           HE3      LYS  29  -5.209  14.284  -9.774
  372    HZ1  LYS  29           HZ1      LYS  29  -3.857  16.786 -10.619
  373    HZ2  LYS  29           HZ2      LYS  29  -5.473  16.622 -10.383
  374    HZ3  LYS  29           HZ3      LYS  29  -4.731  15.806 -11.593
  375    H    THR  30           H        THR  30  -6.617  13.256  -4.736
  376    HA   THR  30           HA       THR  30  -4.958  14.145  -2.455
  377    HB   THR  30           HB       THR  30  -7.956  14.408  -2.878
  378    HG1  THR  30           HG1      THR  30  -5.816  16.198  -3.423
  379   HG21  THR  30          HG21      THR  30  -6.010  15.904  -1.048
  380   HG22  THR  30          HG22      THR  30  -7.257  14.762  -0.525
  381   HG23  THR  30          HG23      THR  30  -7.738  16.284  -1.276
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -5.557  11.501  -2.720
    2    H2   GLY   1           H2       GLY   1  -4.330  11.657  -3.782
    3    H3   GLY   1           H3       GLY   1  -4.010  11.272  -2.221
    4    HA2  GLY   1           HA2      GLY   1  -5.172   9.160  -2.445
    5    HA3  GLY   1           HA3      GLY   1  -5.448   9.561  -4.154
    6    H    ILE   2           H        ILE   2  -4.139   7.209  -3.378
    7    HA   ILE   2           HA       ILE   2  -1.306   7.420  -3.117
    8    HB   ILE   2           HB       ILE   2  -1.174   5.066  -3.683
    9   HG12  ILE   2          HG12      ILE   2  -4.161   5.144  -4.302
   10   HG13  ILE   2          HG13      ILE   2  -2.886   5.002  -5.513
   11   HG21  ILE   2          HG21      ILE   2  -3.550   5.614  -1.857
   12   HG22  ILE   2          HG22      ILE   2  -2.448   4.233  -1.793
   13   HG23  ILE   2          HG23      ILE   2  -1.843   5.850  -1.414
   14   HD11  ILE   2          HD11      ILE   2  -3.508   2.958  -3.355
   15   HD12  ILE   2          HD12      ILE   2  -3.779   2.812  -5.099
   16   HD13  ILE   2          HD13      ILE   2  -2.124   2.875  -4.475
   17    H    VAL   3           H        VAL   3  -3.233   7.440  -6.052
   18    HA   VAL   3           HA       VAL   3  -1.132   6.965  -7.928
   19    HB   VAL   3           HB       VAL   3  -3.613   8.689  -8.205
   20   HG11  VAL   3          HG11      VAL   3  -3.301   8.326 -10.702
   21   HG12  VAL   3          HG12      VAL   3  -2.135   9.434  -9.974
   22   HG13  VAL   3          HG13      VAL   3  -1.653   7.764 -10.348
   23   HG21  VAL   3          HG21      VAL   3  -2.991   5.863  -9.186
   24   HG22  VAL   3          HG22      VAL   3  -4.021   6.240  -7.787
   25   HG23  VAL   3          HG23      VAL   3  -4.517   6.745  -9.407
   26    H    GLU   4           H        GLU   4  -2.033   9.977  -6.214
   27    HA   GLU   4           HA       GLU   4  -0.379  11.717  -7.826
   28    HB2  GLU   4           HB2      GLU   4  -1.410  12.056  -4.974
   29    HB3  GLU   4           HB3      GLU   4  -0.693  13.323  -5.963
   30    HG2  GLU   4           HG2      GLU   4  -2.520  13.161  -7.591
   31    HG3  GLU   4           HG3      GLU   4  -3.243  11.820  -6.700
   32    H    GLN   5           H        GLN   5   0.080  10.119  -4.657
   33    HA   GLN   5           HA       GLN   5   2.701  11.089  -4.088
   34    HB2  GLN   5           HB2      GLN   5   1.135  10.070  -2.444
   35    HB3  GLN   5           HB3      GLN   5   1.315   8.504  -3.237
   36    HG2  GLN   5           HG2      GLN   5   3.808   8.597  -2.699
   37    HG3  GLN   5           HG3      GLN   5   3.486  10.080  -1.786
   38   HE21  GLN   5          HE21      GLN   5   2.767   6.559  -1.954
   39   HE22  GLN   5          HE22      GLN   5   2.303   6.424  -0.271
   40    H    CYS   6           H        CYS   6   1.718   7.869  -5.438
   41    HA   CYS   6           HA       CYS   6   4.420   6.991  -5.825
   42    HB2  CYS   6           HB2      CYS   6   1.771   6.095  -7.019
   43    HB3  CYS   6           HB3      CYS   6   3.286   5.213  -7.124
   44    H    CYS   7           H        CYS   7   2.427   8.958  -7.847
   45    HA   CYS   7           HA       CYS   7   4.105   8.532 -10.246
   46    HB2  CYS   7           HB2      CYS   7   1.619   8.793 -10.289
   47    HB3  CYS   7           HB3      CYS   7   1.824  10.476  -9.803
   48    H    THR   8           H        THR   8   3.541  11.200  -7.873
   49    HA   THR   8           HA       THR   8   5.491  12.928  -9.206
   50    HB   THR   8           HB       THR   8   3.377  13.641  -7.926
   51    HG1  THR   8           HG1      THR   8   4.442  15.588  -7.484
   52   HG21  THR   8          HG21      THR   8   3.602  14.245  -5.610
   53   HG22  THR   8          HG22      THR   8   5.293  13.718  -5.543
   54   HG23  THR   8          HG23      THR   8   4.000  12.522  -5.713
   55    H    SER   9           H        SER   9   5.512  10.829  -6.368
   56    HA   SER   9           HA       SER   9   8.496  11.082  -6.168
   57    HG   SER   9           HG       SER   9   8.447  10.536  -2.737
   58    HB2  SER   9           HB2      SER   9   7.134  11.724  -4.141
   59    HB3  SER   9           HB3      SER   9   6.554  10.051  -4.069
   60    H    ILE  10           H        ILE  10   8.452   8.532  -4.664
   61    HA   ILE  10           HA       ILE  10   7.851   6.566  -6.840
   62    HB   ILE  10           HB       ILE  10   9.856   5.301  -6.125
   63   HG12  ILE  10          HG12      ILE  10  10.611   7.807  -4.561
   64   HG13  ILE  10          HG13      ILE  10  10.213   6.230  -3.880
   65   HG21  ILE  10          HG21      ILE  10   9.782   6.743  -8.135
   66   HG22  ILE  10          HG22      ILE  10  10.503   8.069  -7.188
   67   HG23  ILE  10          HG23      ILE  10  11.407   6.574  -7.479
   68   HD11  ILE  10          HD11      ILE  10  12.594   6.487  -3.832
   69   HD12  ILE  10          HD12      ILE  10  12.214   5.277  -5.077
   70   HD13  ILE  10          HD13      ILE  10  12.656   6.939  -5.537
   71    H    CYS  11           H        CYS  11   7.237   4.523  -6.249
   72    HA   CYS  11           HA       CYS  11   6.704   3.953  -3.369
   73    HB2  CYS  11           HB2      CYS  11   4.840   3.650  -5.741
   74    HB3  CYS  11           HB3      CYS  11   4.618   2.745  -4.261
   75    H    SER  12           H        SER  12   6.404   1.627  -2.998
   76    HA   SER  12           HA       SER  12   8.213  -0.019  -4.726
   77    HG   SER  12           HG       SER  12   8.199  -0.502  -0.674
   78    HB2  SER  12           HB2      SER  12   8.906  -1.183  -2.719
   79    HB3  SER  12           HB3      SER  12   9.185   0.547  -2.523
   80    H    LEU  13           H        LEU  13   7.878  -2.366  -4.592
   81    HA   LEU  13           HA       LEU  13   5.158  -3.185  -5.036
   82    HG   LEU  13           HG       LEU  13   8.171  -3.620  -6.353
   83    HB2  LEU  13           HB2      LEU  13   7.622  -4.838  -4.311
   84    HB3  LEU  13           HB3      LEU  13   6.134  -5.444  -5.006
   85   HD11  LEU  13          HD11      LEU  13   7.266  -6.462  -6.988
   86   HD12  LEU  13          HD12      LEU  13   8.784  -6.018  -6.185
   87   HD13  LEU  13          HD13      LEU  13   8.499  -5.530  -7.865
   88   HD21  LEU  13          HD21      LEU  13   6.805  -3.848  -8.426
   89   HD22  LEU  13          HD22      LEU  13   5.979  -2.911  -7.174
   90   HD23  LEU  13          HD23      LEU  13   5.515  -4.604  -7.475
   91    H    TYR  14           H        TYR  14   7.195  -3.213  -2.136
   92    HA   TYR  14           HA       TYR  14   5.333  -4.623  -0.460
   93    HD1  TYR  14           HD1      TYR  14   6.472  -5.906   1.680
   94    HD2  TYR  14           HD2      TYR  14   6.856  -1.651   2.293
   95    HE1  TYR  14           HE1      TYR  14   5.923  -6.199   4.092
   96    HE2  TYR  14           HE2      TYR  14   6.311  -1.944   4.699
   97    HH   TYR  14           HH       TYR  14   5.781  -3.432   6.375
   98    HB2  TYR  14           HB2      TYR  14   7.708  -4.383   0.060
   99    HB3  TYR  14           HB3      TYR  14   7.541  -2.638   0.208
  100    H    GLN  15           H        GLN  15   5.620  -1.199  -1.333
  101    HA   GLN  15           HA       GLN  15   3.519  -0.314   0.525
  102    HB2  GLN  15           HB2      GLN  15   4.901   1.003  -1.839
  103    HB3  GLN  15           HB3      GLN  15   3.547   1.749  -0.999
  104    HG2  GLN  15           HG2      GLN  15   4.714   1.810   1.101
  105    HG3  GLN  15           HG3      GLN  15   6.036   0.817   0.492
  106   HE21  GLN  15          HE21      GLN  15   7.566   1.752  -1.037
  107   HE22  GLN  15          HE22      GLN  15   7.734   3.508  -1.097
  108    H    LEU  16           H        LEU  16   3.587  -1.280  -2.968
  109    HA   LEU  16           HA       LEU  16   0.754  -1.001  -3.364
  110    HG   LEU  16           HG       LEU  16   3.292  -0.647  -5.241
  111    HB2  LEU  16           HB2      LEU  16   2.727  -2.974  -4.572
  112    HB3  LEU  16           HB3      LEU  16   1.084  -2.747  -5.129
  113   HD11  LEU  16          HD11      LEU  16   1.918  -2.302  -7.403
  114   HD12  LEU  16          HD12      LEU  16   3.572  -2.534  -6.804
  115   HD13  LEU  16          HD13      LEU  16   3.151  -1.059  -7.680
  116   HD21  LEU  16          HD21      LEU  16   1.144   0.500  -4.978
  117   HD22  LEU  16          HD22      LEU  16   0.417  -0.515  -6.246
  118   HD23  LEU  16          HD23      LEU  16   1.691   0.651  -6.641
  119    H    GLU  17           H        GLU  17   2.651  -3.750  -2.029
  120    HA   GLU  17           HA       GLU  17   0.419  -5.435  -1.692
  121    HB2  GLU  17           HB2      GLU  17   2.767  -6.187  -1.644
  122    HB3  GLU  17           HB3      GLU  17   2.964  -5.465  -0.037
  123    HG2  GLU  17           HG2      GLU  17   1.352  -6.980   0.921
  124    HG3  GLU  17           HG3      GLU  17   0.768  -7.470  -0.675
  125    H    ASN  18           H        ASN  18   1.672  -2.875   0.442
  126    HA   ASN  18           HA       ASN  18  -0.031  -3.394   2.686
  127    HB2  ASN  18           HB2      ASN  18   2.017  -1.974   2.697
  128    HB3  ASN  18           HB3      ASN  18   1.181  -0.772   1.720
  129   HD21  ASN  18          HD21      ASN  18   0.073   0.839   2.813
  130   HD22  ASN  18          HD22      ASN  18  -0.356   0.745   4.513
  131    H    TYR  19           H        TYR  19  -0.740  -1.954  -0.453
  132    HA   TYR  19           HA       TYR  19  -3.292  -0.758   0.415
  133    HD1  TYR  19           HD2      TYR  19  -2.014   1.125   0.673
  134    HD2  TYR  19           HD1      TYR  19  -0.940   0.626  -3.477
  135    HE1  TYR  19           HE2      TYR  19  -0.456   3.049   0.843
  136    HE2  TYR  19           HE1      TYR  19   0.622   2.548  -3.310
  137    HH   TYR  19           HH       TYR  19   1.505   4.153  -1.957
  138    HB2  TYR  19           HB2      TYR  19  -2.110  -1.105  -2.350
  139    HB3  TYR  19           HB3      TYR  19  -3.462  -0.095  -1.908
  140    H    CYS  20           H        CYS  20  -2.325  -3.934  -0.391
  141    HA   CYS  20           HA       CYS  20  -4.593  -4.788  -1.932
  142    HB2  CYS  20           HB2      CYS  20  -2.832  -6.398  -0.075
  143    HB3  CYS  20           HB3      CYS  20  -3.953  -7.062  -1.261
  144    H    ASN  21           H        ASN  21  -6.274  -6.219  -1.322
  145    HA   ASN  21           HA       ASN  21  -8.162  -6.828  -0.280
  146    HB2  ASN  21           HB2      ASN  21  -6.425  -7.931   1.205
  147    HB3  ASN  21           HB3      ASN  21  -6.668  -6.624   2.361
  148   HD21  ASN  21          HD21      ASN  21  -9.185  -6.253   2.723
  149   HD22  ASN  21          HD22      ASN  21 -10.063  -7.747   3.143
  150    HA   PHE   1           HA       PHE   1  12.457  -4.782  -2.507
  151    HD1  PHE   1           HD2      PHE   1  10.212  -6.213  -1.766
  152    HD2  PHE   1           HD1      PHE   1  10.760  -3.025   1.098
  153    HE1  PHE   1           HE2      PHE   1   9.547  -7.744   0.069
  154    HE2  PHE   1           HE1      PHE   1  10.114  -4.575   2.931
  155    HZ   PHE   1           HZ       PHE   1   9.506  -6.924   2.425
  156    H1   PHE   1           H1       PHE   1  13.350  -2.644  -0.693
  157    H2   PHE   1           H2       PHE   1  14.309  -3.763  -1.402
  158    H3   PHE   1           H3       PHE   1  13.198  -4.229  -0.291
  159    HB2  PHE   1           HB2      PHE   1  10.800  -2.544  -1.260
  160    HB3  PHE   1           HB3      PHE   1  10.226  -3.733  -2.411
  161    H    VAL   2           H        VAL   2  11.882  -4.107  -4.656
  162    HA   VAL   2           HA       VAL   2  13.382  -1.841  -5.657
  163    HB   VAL   2           HB       VAL   2  13.053  -3.905  -6.962
  164   HG11  VAL   2          HG11      VAL   2  10.220  -2.922  -7.511
  165   HG12  VAL   2          HG12      VAL   2  11.023  -4.321  -8.234
  166   HG13  VAL   2          HG13      VAL   2  10.645  -4.324  -6.502
  167   HG21  VAL   2          HG21      VAL   2  12.049  -1.422  -8.411
  168   HG22  VAL   2          HG22      VAL   2  13.749  -1.770  -8.033
  169   HG23  VAL   2          HG23      VAL   2  12.854  -2.828  -9.130
  170    H    ASN   3           H        ASN   3  12.722   0.102  -6.373
  171    HA   ASN   3           HA       ASN   3   9.946   1.004  -5.755
  172    HB2  ASN   3           HB2      ASN   3  12.598   2.394  -5.280
  173    HB3  ASN   3           HB3      ASN   3  11.091   3.286  -5.459
  174   HD21  ASN   3          HD21      ASN   3  12.510   0.597  -3.466
  175   HD22  ASN   3          HD22      ASN   3  11.617   1.060  -2.031
  176    H    GLN   4           H        GLN   4   8.978   2.450  -7.144
  177    HA   GLN   4           HA       GLN   4  10.235   3.058  -9.775
  178    HB2  GLN   4           HB2      GLN   4   7.626   1.516  -9.344
  179    HB3  GLN   4           HB3      GLN   4   8.221   2.100 -10.901
  180    HG2  GLN   4           HG2      GLN   4  10.243   0.623 -10.635
  181    HG3  GLN   4           HG3      GLN   4   9.517  -0.058  -9.164
  182   HE21  GLN   4          HE21      GLN   4   7.278  -1.097  -9.441
  183   HE22  GLN   4          HE22      GLN   4   6.980  -1.889 -10.980
  184    H    HIS   5           H        HIS   5   8.979   4.624 -11.015
  185    HA   HIS   5           HA       HIS   5   7.036   6.300  -9.505
  186    HD1  HIS   5           HD1      HIS   5   8.117   8.933  -9.269
  187    HD2  HIS   5           HD2      HIS   5  10.538   7.263 -12.278
  188    HE1  HIS   5           HE1      HIS   5  10.361  10.110  -9.111
  189    HB2  HIS   5           HB2      HIS   5   8.077   6.525 -12.365
  190    HB3  HIS   5           HB3      HIS   5   6.942   7.613 -11.582
  191    H    LEU   6           H        LEU   6   4.900   5.913  -9.726
  192    HA   LEU   6           HA       LEU   6   3.880   4.083 -11.865
  193    HG   LEU   6           HG       LEU   6   5.553   2.635  -9.828
  194    HB2  LEU   6           HB2      LEU   6   3.574   3.863  -8.849
  195    HB3  LEU   6           HB3      LEU   6   2.530   3.006  -9.980
  196   HD11  LEU   6          HD11      LEU   6   4.980   0.508  -8.656
  197   HD12  LEU   6          HD12      LEU   6   3.271   1.015  -8.630
  198   HD13  LEU   6          HD13      LEU   6   4.493   1.940  -7.737
  199   HD21  LEU   6          HD21      LEU   6   4.614   1.989 -12.028
  200   HD22  LEU   6          HD22      LEU   6   3.361   1.024 -11.222
  201   HD23  LEU   6          HD23      LEU   6   5.073   0.551 -11.112
  202    H    CYS   7           H        CYS   7   2.231   4.962 -12.866
  203    HA   CYS   7           HA       CYS   7   0.540   7.034 -11.521
  204    HB2  CYS   7           HB2      CYS   7   1.540   7.046 -14.380
  205    HB3  CYS   7           HB3      CYS   7   0.648   8.324 -13.581
  206    H    GLY   8           H        GLY   8  -1.584   6.819 -11.855
  207    HA2  GLY   8           HA2      GLY   8  -3.653   6.052 -12.568
  208    HA3  GLY   8           HA3      GLY   8  -2.933   6.297 -14.149
  209    H    SER   9           H        SER   9  -3.145   4.657 -15.478
  210    HA   SER   9           HA       SER   9  -4.161   2.076 -14.752
  211    HG   SER   9           HG       SER   9  -2.972   3.381 -18.446
  212    HB2  SER   9           HB2      SER   9  -3.664   1.574 -17.166
  213    HB3  SER   9           HB3      SER   9  -4.669   3.004 -16.895
  214    H    HIS  10           H        HIS  10  -0.817   3.230 -15.267
  215    HA   HIS  10           HA       HIS  10   0.372   0.569 -15.294
  216    HD1  HIS  10           HD1      HIS  10   2.302   0.927 -17.585
  217    HD2  HIS  10           HD2      HIS  10   0.922   4.782 -16.610
  218    HE1  HIS  10           HE1      HIS  10   2.121   2.201 -19.787
  219    HB2  HIS  10           HB2      HIS  10   1.601   3.255 -14.570
  220    HB3  HIS  10           HB3      HIS  10   2.479   1.777 -14.928
  221    H    LEU  11           H        LEU  11  -0.347   2.954 -12.714
  222    HA   LEU  11           HA       LEU  11   0.757   1.360 -10.568
  223    HG   LEU  11           HG       LEU  11   0.096   1.954  -8.378
  224    HB2  LEU  11           HB2      LEU  11   0.314   3.774 -10.367
  225    HB3  LEU  11           HB3      LEU  11  -1.422   3.509 -10.472
  226   HD11  LEU  11          HD11      LEU  11  -0.510   4.921  -8.124
  227   HD12  LEU  11          HD12      LEU  11   1.093   4.165  -8.166
  228   HD13  LEU  11          HD13      LEU  11   0.011   3.860  -6.796
  229   HD21  LEU  11          HD21      LEU  11  -2.568   3.447  -8.270
  230   HD22  LEU  11          HD22      LEU  11  -1.911   2.377  -7.015
  231   HD23  LEU  11          HD23      LEU  11  -2.397   1.703  -8.571
  232    H    VAL  12           H        VAL  12  -2.575   1.691 -11.859
  233    HA   VAL  12           HA       VAL  12  -3.745  -0.245 -10.144
  234    HB   VAL  12           HB       VAL  12  -4.541   0.635 -12.941
  235   HG11  VAL  12          HG11      VAL  12  -6.805  -0.326 -12.462
  236   HG12  VAL  12          HG12      VAL  12  -5.567  -1.573 -12.675
  237   HG13  VAL  12          HG13      VAL  12  -6.129  -1.150 -11.048
  238   HG21  VAL  12          HG21      VAL  12  -4.676   2.326 -11.086
  239   HG22  VAL  12          HG22      VAL  12  -6.261   1.918 -11.749
  240   HG23  VAL  12          HG23      VAL  12  -5.746   1.230 -10.199
  241    H    GLU  13           H        GLU  13  -2.169  -0.785 -13.322
  242    HA   GLU  13           HA       GLU  13  -2.639  -3.591 -13.461
  243    HB2  GLU  13           HB2      GLU  13  -1.879  -2.146 -15.323
  244    HB3  GLU  13           HB3      GLU  13  -0.297  -1.970 -14.557
  245    HG2  GLU  13           HG2      GLU  13   0.103  -4.391 -14.778
  246    HG3  GLU  13           HG3      GLU  13  -1.536  -4.624 -15.403
  247    H    ALA  14           H        ALA  14   0.202  -1.783 -12.133
  248    HA   ALA  14           HA       ALA  14   1.660  -4.110 -11.292
  249    HB1  ALA  14           HB1      ALA  14   2.962  -2.480  -9.972
  250    HB2  ALA  14           HB2      ALA  14   2.654  -1.861 -11.603
  251    HB3  ALA  14           HB3      ALA  14   1.710  -1.243 -10.227
  252    H    LEU  15           H        LEU  15  -0.605  -2.004  -9.513
  253    HA   LEU  15           HA       LEU  15  -0.493  -3.264  -6.987
  254    HG   LEU  15           HG       LEU  15  -3.691  -2.739  -6.438
  255    HB2  LEU  15           HB2      LEU  15  -1.425  -1.025  -7.497
  256    HB3  LEU  15           HB3      LEU  15  -2.730  -1.761  -8.428
  257   HD11  LEU  15          HD11      LEU  15  -1.671  -3.177  -5.087
  258   HD12  LEU  15          HD12      LEU  15  -2.863  -2.247  -4.184
  259   HD13  LEU  15          HD13      LEU  15  -1.436  -1.427  -4.864
  260   HD21  LEU  15          HD21      LEU  15  -4.351  -0.610  -5.324
  261   HD22  LEU  15          HD22      LEU  15  -4.300  -0.427  -7.086
  262   HD23  LEU  15          HD23      LEU  15  -2.979   0.216  -6.082
  263    H    TYR  16           H        TYR  16  -2.848  -3.840  -9.666
  264    HA   TYR  16           HA       TYR  16  -4.224  -6.015  -8.504
  265    HD1  TYR  16           HD1      TYR  16  -6.429  -6.941  -9.534
  266    HD2  TYR  16           HD2      TYR  16  -3.577  -7.264 -12.756
  267    HE1  TYR  16           HE1      TYR  16  -7.491  -9.071 -10.256
  268    HE2  TYR  16           HE2      TYR  16  -4.632  -9.398 -13.475
  269    HH   TYR  16           HH       TYR  16  -7.449 -10.814 -11.756
  270    HB2  TYR  16           HB2      TYR  16  -5.010  -4.899 -10.518
  271    HB3  TYR  16           HB3      TYR  16  -3.559  -5.349 -11.397
  272    H    LEU  17           H        LEU  17  -1.201  -6.066 -10.425
  273    HA   LEU  17           HA       LEU  17  -0.980  -8.957 -10.363
  274    HG   LEU  17           HG       LEU  17  -0.949  -7.133 -12.704
  275    HB2  LEU  17           HB2      LEU  17   0.970  -6.730 -11.077
  276    HB3  LEU  17           HB3      LEU  17   1.382  -8.437 -11.227
  277   HD11  LEU  17          HD11      LEU  17   1.849  -7.831 -13.697
  278   HD12  LEU  17          HD12      LEU  17   1.239  -6.193 -13.394
  279   HD13  LEU  17          HD13      LEU  17   0.515  -7.178 -14.674
  280   HD21  LEU  17          HD21      LEU  17   0.368  -9.862 -13.028
  281   HD22  LEU  17          HD22      LEU  17  -0.859  -9.169 -14.113
  282   HD23  LEU  17          HD23      LEU  17  -1.276  -9.552 -12.446
  283    H    VAL  18           H        VAL  18   0.327  -6.442  -8.264
  284    HA   VAL  18           HA       VAL  18   1.958  -8.243  -6.669
  285    HB   VAL  18           HB       VAL  18   0.812  -5.488  -6.139
  286   HG11  VAL  18          HG11      VAL  18   2.231  -5.395  -4.086
  287   HG12  VAL  18          HG12      VAL  18   0.865  -6.497  -3.923
  288   HG13  VAL  18          HG13      VAL  18   2.496  -7.145  -4.211
  289   HG21  VAL  18          HG21      VAL  18   3.183  -4.820  -6.209
  290   HG22  VAL  18          HG22      VAL  18   3.677  -6.515  -6.400
  291   HG23  VAL  18          HG23      VAL  18   2.776  -5.697  -7.689
  292    H    CYS  19           H        CYS  19  -1.411  -7.032  -6.356
  293    HA   CYS  19           HA       CYS  19  -1.832  -8.463  -3.865
  294    HB2  CYS  19           HB2      CYS  19  -3.809  -7.127  -5.751
  295    HB3  CYS  19           HB3      CYS  19  -4.172  -7.718  -4.132
  296    H    GLY  20           H        GLY  20  -2.598  -9.238  -7.247
  297    HA2  GLY  20           HA2      GLY  20  -3.369 -11.191  -8.234
  298    HA3  GLY  20           HA3      GLY  20  -2.915 -12.051  -6.750
  299    H    GLU  21           H        GLU  21  -4.620 -13.207  -6.139
  300    HA   GLU  21           HA       GLU  21  -7.369 -12.582  -6.650
  301    HB2  GLU  21           HB2      GLU  21  -6.063 -14.558  -4.731
  302    HB3  GLU  21           HB3      GLU  21  -7.795 -14.496  -5.084
  303    HG2  GLU  21           HG2      GLU  21  -7.317 -14.906  -7.492
  304    HG3  GLU  21           HG3      GLU  21  -5.597 -15.046  -7.124
  305    H    ARG  22           H        ARG  22  -5.296 -11.348  -4.162
  306    HA   ARG  22           HA       ARG  22  -7.191 -11.137  -2.014
  307    HE   ARG  22           HE       ARG  22  -2.386 -10.676  -2.629
  308    HB2  ARG  22           HB2      ARG  22  -4.658  -9.544  -2.614
  309    HB3  ARG  22           HB3      ARG  22  -5.558  -9.487  -1.092
  310    HG2  ARG  22           HG2      ARG  22  -5.189 -11.874  -0.710
  311    HG3  ARG  22           HG3      ARG  22  -4.307 -12.036  -2.231
  312    HD2  ARG  22           HD2      ARG  22  -3.423 -10.150  -0.010
  313    HD3  ARG  22           HD3      ARG  22  -2.914 -11.844  -0.113
  314   HH11  ARG  22          HH11      ARG  22  -1.121 -10.443   0.708
  315   HH12  ARG  22          HH12      ARG  22   0.489 -10.060   0.100
  316   HH21  ARG  22          HH21      ARG  22  -0.181 -10.106  -3.207
  317   HH22  ARG  22          HH22      ARG  22   0.946  -9.863  -1.889
  318    H    GLY  23           H        GLY  23  -6.778  -9.159  -4.883
  319    HA2  GLY  23           HA2      GLY  23  -7.871  -7.228  -5.618
  320    HA3  GLY  23           HA3      GLY  23  -8.960  -7.329  -4.220
  321    H    PHE  24           H        PHE  24  -8.475  -4.861  -4.628
  322    HA   PHE  24           HA       PHE  24  -6.516  -4.014  -2.592
  323    HD1  PHE  24           HD2      PHE  24  -6.929  -1.050  -5.550
  324    HD2  PHE  24           HD1      PHE  24  -5.935  -5.085  -6.680
  325    HE1  PHE  24           HE2      PHE  24  -7.729  -0.592  -7.854
  326    HE2  PHE  24           HE1      PHE  24  -6.766  -4.636  -8.980
  327    HZ   PHE  24           HZ       PHE  24  -7.659  -2.394  -9.571
  328    HB2  PHE  24           HB2      PHE  24  -5.376  -2.493  -4.169
  329    HB3  PHE  24           HB3      PHE  24  -5.149  -4.170  -4.591
  330    H    PHE  25           H        PHE  25  -6.530  -1.900  -1.973
  331    HA   PHE  25           HA       PHE  25  -8.919  -0.219  -2.512
  332    HD1  PHE  25           HD2      PHE  25 -10.250   1.069  -0.442
  333    HD2  PHE  25           HD1      PHE  25  -6.109   2.283  -0.365
  334    HE1  PHE  25           HE2      PHE  25 -10.935   3.396   0.093
  335    HE2  PHE  25           HE1      PHE  25  -6.808   4.600   0.189
  336    HZ   PHE  25           HZ       PHE  25  -9.211   5.164   0.421
  337    HB2  PHE  25           HB2      PHE  25  -8.305  -0.594  -0.153
  338    HB3  PHE  25           HB3      PHE  25  -6.667  -0.045  -0.475
  339    H    TYR  26           H        TYR  26  -8.641   1.861  -3.369
  340    HA   TYR  26           HA       TYR  26  -6.040   2.752  -4.431
  341    HD1  TYR  26           HD1      TYR  26  -4.941   2.556  -7.350
  342    HD2  TYR  26           HD2      TYR  26  -9.157   3.469  -7.326
  343    HE1  TYR  26           HE1      TYR  26  -4.639   4.022  -9.329
  344    HE2  TYR  26           HE2      TYR  26  -8.850   4.950  -9.299
  345    HH   TYR  26           HH       TYR  26  -5.665   5.385 -10.886
  346    HB2  TYR  26           HB2      TYR  26  -6.566   1.161  -6.099
  347    HB3  TYR  26           HB3      TYR  26  -8.278   1.564  -6.101
  348    H    THR  27           H        THR  27  -5.959   4.913  -4.827
  349    HA   THR  27           HA       THR  27  -8.447   6.506  -4.993
  350    HB   THR  27           HB       THR  27  -7.332   8.201  -3.474
  351    HG1  THR  27           HG1      THR  27  -6.038   6.877  -1.846
  352   HG21  THR  27          HG21      THR  27  -9.288   6.843  -2.800
  353   HG22  THR  27          HG22      THR  27  -8.200   7.175  -1.443
  354   HG23  THR  27          HG23      THR  27  -8.197   5.572  -2.210
  355    HA   PRO  28           HA       PRO  28  -5.739   8.613  -8.006
  356    HB2  PRO  28           HB2      PRO  28  -7.633   9.746  -9.545
  357    HB3  PRO  28           HB3      PRO  28  -7.416   7.973  -9.520
  358    HG2  PRO  28           HG2      PRO  28  -9.424   9.614  -7.945
  359    HG3  PRO  28           HG3      PRO  28  -9.738   8.178  -8.972
  360    HD2  PRO  28           HD2      PRO  28  -9.360   8.063  -6.246
  361    HD3  PRO  28           HD3      PRO  28  -8.917   6.720  -7.340
  362    H    LYS  29           H        LYS  29  -6.343  11.200  -8.840
  363    HA   LYS  29           HA       LYS  29  -5.996  12.913  -6.532
  364    HB2  LYS  29           HB2      LYS  29  -5.045  13.391  -8.721
  365    HB3  LYS  29           HB3      LYS  29  -6.655  13.451  -9.460
  366    HG2  LYS  29           HG2      LYS  29  -7.238  15.443  -8.181
  367    HG3  LYS  29           HG3      LYS  29  -5.712  15.393  -7.296
  368    HD2  LYS  29           HD2      LYS  29  -5.993  15.759 -10.309
  369    HD3  LYS  29           HD3      LYS  29  -5.818  17.087  -9.161
  370    HE2  LYS  29           HE2      LYS  29  -3.745  14.881  -9.595
  371    HE3  LYS  29           HE3      LYS  29  -3.715  16.466 -10.368
  372    HZ1  LYS  29           HZ1      LYS  29  -3.491  15.959  -7.446
  373    HZ2  LYS  29           HZ2      LYS  29  -3.632  17.456  -8.111
  374    HZ3  LYS  29           HZ3      LYS  29  -2.326  16.527  -8.438
  375    H    THR  30           H        THR  30  -8.828  11.842  -8.306
  376    HA   THR  30           HA       THR  30 -10.715  13.831  -7.619
  377    HB   THR  30           HB       THR  30 -11.323  10.899  -8.075
  378    HG1  THR  30           HG1      THR  30 -10.848  12.951  -9.976
  379   HG21  THR  30          HG21      THR  30 -13.331  11.800  -9.221
  380   HG22  THR  30          HG22      THR  30 -12.864  13.447  -8.735
  381   HG23  THR  30          HG23      THR  30 -13.292  12.242  -7.504
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -3.102  11.809  -2.553
    2    H2   GLY   1           H2       GLY   1  -4.722  11.970  -2.768
    3    H3   GLY   1           H3       GLY   1  -3.717  11.946  -4.060
    4    HA2  GLY   1           HA2      GLY   1  -4.210   9.690  -2.210
    5    HA3  GLY   1           HA3      GLY   1  -4.871   9.830  -3.846
    6    H    ILE   2           H        ILE   2  -3.434   7.573  -3.202
    7    HA   ILE   2           HA       ILE   2  -0.602   7.803  -3.695
    8    HB   ILE   2           HB       ILE   2  -0.518   5.427  -3.965
    9   HG12  ILE   2          HG12      ILE   2  -3.543   5.296  -3.680
   10   HG13  ILE   2          HG13      ILE   2  -2.697   5.109  -5.217
   11   HG21  ILE   2          HG21      ILE   2  -0.596   6.525  -1.725
   12   HG22  ILE   2          HG22      ILE   2  -2.334   6.172  -1.641
   13   HG23  ILE   2          HG23      ILE   2  -1.150   4.853  -1.712
   14   HD11  ILE   2          HD11      ILE   2  -1.404   3.183  -4.208
   15   HD12  ILE   2          HD12      ILE   2  -2.482   3.284  -2.796
   16   HD13  ILE   2          HD13      ILE   2  -3.142   2.905  -4.395
   17    H    VAL   3           H        VAL   3  -3.249   7.646  -5.966
   18    HA   VAL   3           HA       VAL   3  -1.756   7.047  -8.339
   19    HB   VAL   3           HB       VAL   3  -4.188   8.811  -7.924
   20   HG11  VAL   3          HG11      VAL   3  -3.012   7.821 -10.549
   21   HG12  VAL   3          HG12      VAL   3  -4.647   8.489 -10.367
   22   HG13  VAL   3          HG13      VAL   3  -3.249   9.516 -10.052
   23   HG21  VAL   3          HG21      VAL   3  -5.442   6.877  -8.794
   24   HG22  VAL   3          HG22      VAL   3  -3.936   5.963  -9.024
   25   HG23  VAL   3          HG23      VAL   3  -4.495   6.377  -7.387
   26    H    GLU   4           H        GLU   4  -1.866  10.003  -6.399
   27    HA   GLU   4           HA       GLU   4  -0.262  11.549  -8.352
   28    HB2  GLU   4           HB2      GLU   4  -1.015  12.188  -5.470
   29    HB3  GLU   4           HB3      GLU   4  -0.236  13.274  -6.617
   30    HG2  GLU   4           HG2      GLU   4  -2.239  13.324  -8.009
   31    HG3  GLU   4           HG3      GLU   4  -3.035  12.113  -6.995
   32    H    GLN   5           H        GLN   5   0.124  10.100  -5.075
   33    HA   GLN   5           HA       GLN   5   2.756  11.042  -4.689
   34    HB2  GLN   5           HB2      GLN   5   1.149  10.278  -2.931
   35    HB3  GLN   5           HB3      GLN   5   1.465   8.600  -3.409
   36    HG2  GLN   5           HG2      GLN   5   3.848   8.857  -2.800
   37    HG3  GLN   5           HG3      GLN   5   3.566  10.553  -2.381
   38   HE21  GLN   5          HE21      GLN   5   2.097  10.996  -0.477
   39   HE22  GLN   5          HE22      GLN   5   1.936   9.738   0.740
   40    H    CYS   6           H        CYS   6   1.722   7.787  -5.889
   41    HA   CYS   6           HA       CYS   6   4.427   6.761  -6.182
   42    HB2  CYS   6           HB2      CYS   6   1.678   6.023  -7.223
   43    HB3  CYS   6           HB3      CYS   6   3.106   5.237  -7.845
   44    H    CYS   7           H        CYS   7   2.611   9.017  -8.041
   45    HA   CYS   7           HA       CYS   7   4.063   8.446 -10.569
   46    HB2  CYS   7           HB2      CYS   7   1.579   8.772 -10.433
   47    HB3  CYS   7           HB3      CYS   7   1.853  10.438  -9.938
   48    H    THR   8           H        THR   8   3.639  11.074  -8.223
   49    HA   THR   8           HA       THR   8   5.598  12.843  -9.552
   50    HB   THR   8           HB       THR   8   5.056  14.415  -7.722
   51    HG1  THR   8           HG1      THR   8   3.083  12.498  -6.991
   52   HG21  THR   8          HG21      THR   8   2.754  14.888  -8.437
   53   HG22  THR   8          HG22      THR   8   2.608  13.267  -9.148
   54   HG23  THR   8          HG23      THR   8   3.768  14.430  -9.826
   55    H    SER   9           H        SER   9   5.491  10.781  -6.672
   56    HA   SER   9           HA       SER   9   8.447  11.175  -6.376
   57    HG   SER   9           HG       SER   9   8.420  10.682  -2.959
   58    HB2  SER   9           HB2      SER   9   6.980  11.765  -4.370
   59    HB3  SER   9           HB3      SER   9   6.584  10.036  -4.277
   60    H    ILE  10           H        ILE  10   9.014   8.842  -5.090
   61    HA   ILE  10           HA       ILE  10   8.354   6.688  -7.075
   62    HB   ILE  10           HB       ILE  10  10.759   7.468  -6.864
   63   HG12  ILE  10          HG12      ILE  10  10.153   4.539  -6.347
   64   HG13  ILE  10          HG13      ILE  10  10.109   5.393  -7.900
   65   HG21  ILE  10          HG21      ILE  10  10.774   7.721  -4.354
   66   HG22  ILE  10          HG22      ILE  10  10.763   5.949  -4.218
   67   HG23  ILE  10          HG23      ILE  10  12.121   6.781  -4.996
   68   HD11  ILE  10          HD11      ILE  10  12.598   4.895  -6.230
   69   HD12  ILE  10          HD12      ILE  10  12.157   4.139  -7.771
   70   HD13  ILE  10          HD13      ILE  10  12.542   5.868  -7.716
   71    H    CYS  11           H        CYS  11   7.665   4.637  -6.292
   72    HA   CYS  11           HA       CYS  11   7.328   4.347  -3.360
   73    HB2  CYS  11           HB2      CYS  11   5.020   3.838  -3.437
   74    HB3  CYS  11           HB3      CYS  11   5.254   5.388  -4.226
   75    H    SER  12           H        SER  12   6.791   2.191  -2.646
   76    HA   SER  12           HA       SER  12   8.226   0.209  -4.366
   77    HG   SER  12           HG       SER  12   8.223   0.016  -0.317
   78    HB2  SER  12           HB2      SER  12   8.839  -0.909  -2.366
   79    HB3  SER  12           HB3      SER  12   9.222   0.815  -2.191
   80    H    LEU  13           H        LEU  13   7.666  -2.028  -4.377
   81    HA   LEU  13           HA       LEU  13   4.894  -2.645  -4.733
   82    HG   LEU  13           HG       LEU  13   7.827  -3.301  -6.128
   83    HB2  LEU  13           HB2      LEU  13   7.235  -4.491  -4.082
   84    HB3  LEU  13           HB3      LEU  13   5.682  -4.972  -4.737
   85   HD11  LEU  13          HD11      LEU  13   7.953  -5.221  -7.666
   86   HD12  LEU  13          HD12      LEU  13   6.698  -6.065  -6.742
   87   HD13  LEU  13          HD13      LEU  13   8.275  -5.721  -5.997
   88   HD21  LEU  13          HD21      LEU  13   6.430  -3.334  -8.149
   89   HD22  LEU  13          HD22      LEU  13   5.623  -2.446  -6.860
   90   HD23  LEU  13          HD23      LEU  13   5.108  -4.098  -7.246
   91    H    TYR  14           H        TYR  14   6.984  -2.806  -1.898
   92    HA   TYR  14           HA       TYR  14   5.152  -4.126  -0.138
   93    HD1  TYR  14           HD2      TYR  14   6.202  -5.362   1.963
   94    HD2  TYR  14           HD1      TYR  14   7.149  -1.189   2.474
   95    HE1  TYR  14           HE2      TYR  14   5.850  -5.580   4.425
   96    HE2  TYR  14           HE1      TYR  14   6.794  -1.393   4.925
   97    HH   TYR  14           HH       TYR  14   6.251  -2.795   6.661
   98    HB2  TYR  14           HB2      TYR  14   7.567  -3.947   0.239
   99    HB3  TYR  14           HB3      TYR  14   7.450  -2.202   0.357
  100    H    GLN  15           H        GLN  15   5.340  -0.778  -1.216
  101    HA   GLN  15           HA       GLN  15   3.451   0.216   0.850
  102    HB2  GLN  15           HB2      GLN  15   4.820   1.488  -1.548
  103    HB3  GLN  15           HB3      GLN  15   3.587   2.319  -0.607
  104    HG2  GLN  15           HG2      GLN  15   4.889   2.282   1.394
  105    HG3  GLN  15           HG3      GLN  15   6.077   1.176   0.723
  106   HE21  GLN  15          HE21      GLN  15   6.613   3.845   1.885
  107   HE22  GLN  15          HE22      GLN  15   7.336   4.767   0.575
  108    H    LEU  16           H        LEU  16   3.443  -0.785  -2.590
  109    HA   LEU  16           HA       LEU  16   0.633  -0.304  -3.041
  110    HG   LEU  16           HG       LEU  16   0.908   0.036  -5.344
  111    HB2  LEU  16           HB2      LEU  16   2.744  -2.127  -4.251
  112    HB3  LEU  16           HB3      LEU  16   1.054  -2.379  -4.623
  113   HD11  LEU  16          HD11      LEU  16   2.912   1.200  -6.065
  114   HD12  LEU  16          HD12      LEU  16   3.941  -0.084  -5.408
  115   HD13  LEU  16          HD13      LEU  16   2.978   0.956  -4.321
  116   HD21  LEU  16          HD21      LEU  16   1.074  -1.899  -6.897
  117   HD22  LEU  16          HD22      LEU  16   2.846  -1.772  -6.862
  118   HD23  LEU  16          HD23      LEU  16   1.861  -0.465  -7.558
  119    H    GLU  17           H        GLU  17   2.352  -3.154  -1.699
  120    HA   GLU  17           HA       GLU  17   0.114  -4.805  -1.484
  121    HB2  GLU  17           HB2      GLU  17   2.467  -5.515  -1.302
  122    HB3  GLU  17           HB3      GLU  17   2.568  -4.803   0.318
  123    HG2  GLU  17           HG2      GLU  17   0.987  -6.389   1.203
  124    HG3  GLU  17           HG3      GLU  17   0.496  -6.903  -0.422
  125    H    ASN  18           H        ASN  18   0.975  -2.160   0.649
  126    HA   ASN  18           HA       ASN  18  -0.511  -2.756   2.973
  127    HB2  ASN  18           HB2      ASN  18   1.048  -0.859   2.710
  128    HB3  ASN  18           HB3      ASN  18  -0.041  -0.107   1.547
  129   HD21  ASN  18          HD21      ASN  18  -1.671   1.252   2.309
  130   HD22  ASN  18          HD22      ASN  18  -2.039   1.433   4.016
  131    H    TYR  19           H        TYR  19  -1.694  -1.866  -0.232
  132    HA   TYR  19           HA       TYR  19  -4.421  -1.247   0.758
  133    HD1  TYR  19           HD1      TYR  19  -5.304   1.425  -0.160
  134    HD2  TYR  19           HD2      TYR  19  -1.199   0.440  -1.001
  135    HE1  TYR  19           HE1      TYR  19  -4.588   3.610   0.805
  136    HE2  TYR  19           HE2      TYR  19  -0.469   2.610  -0.031
  137    HH   TYR  19           HH       TYR  19  -1.125   4.551   1.008
  138    HB2  TYR  19           HB2      TYR  19  -3.054  -0.909  -1.936
  139    HB3  TYR  19           HB3      TYR  19  -4.715  -0.488  -1.580
  140    H    CYS  20           H        CYS  20  -2.899  -4.086  -0.087
  141    HA   CYS  20           HA       CYS  20  -4.925  -5.283  -1.763
  142    HB2  CYS  20           HB2      CYS  20  -2.968  -6.618   0.128
  143    HB3  CYS  20           HB3      CYS  20  -3.920  -7.422  -1.120
  144    H    ASN  21           H        ASN  21  -6.478  -6.886  -1.215
  145    HA   ASN  21           HA       ASN  21  -7.565  -6.848   1.571
  146    HB2  ASN  21           HB2      ASN  21  -8.755  -5.164   0.190
  147    HB3  ASN  21           HB3      ASN  21  -9.122  -6.395  -1.019
  148   HD21  ASN  21          HD21      ASN  21  -9.497  -5.846   2.534
  149   HD22  ASN  21          HD22      ASN  21 -11.124  -6.516   2.584
  150    HA   PHE   1           HA       PHE   1  11.826  -5.711  -2.622
  151    HD1  PHE   1           HD1      PHE   1  11.133  -1.664  -2.026
  152    HD2  PHE   1           HD2      PHE   1  10.154  -4.377   1.190
  153    HE1  PHE   1           HE1      PHE   1  11.187   0.214  -0.418
  154    HE2  PHE   1           HE2      PHE   1  10.177  -2.480   2.784
  155    HZ   PHE   1           HZ       PHE   1  10.707  -0.184   1.991
  156    H1   PHE   1           H1       PHE   1  12.856  -5.414  -0.471
  157    H2   PHE   1           H2       PHE   1  13.237  -3.857  -0.836
  158    H3   PHE   1           H3       PHE   1  13.914  -5.083  -1.684
  159    HB2  PHE   1           HB2      PHE   1   9.860  -4.120  -2.275
  160    HB3  PHE   1           HB3      PHE   1  10.261  -5.218  -0.978
  161    H    VAL   2           H        VAL   2  10.774  -4.547  -4.484
  162    HA   VAL   2           HA       VAL   2  12.706  -2.712  -5.786
  163    HB   VAL   2           HB       VAL   2  10.249  -4.164  -6.833
  164   HG11  VAL   2          HG11      VAL   2  10.546  -2.140  -8.188
  165   HG12  VAL   2          HG12      VAL   2  12.289  -2.473  -8.361
  166   HG13  VAL   2          HG13      VAL   2  11.080  -3.537  -9.110
  167   HG21  VAL   2          HG21      VAL   2  12.131  -5.692  -6.345
  168   HG22  VAL   2          HG22      VAL   2  11.900  -5.541  -8.084
  169   HG23  VAL   2          HG23      VAL   2  13.226  -4.661  -7.287
  170    H    ASN   3           H        ASN   3  12.187  -0.645  -6.495
  171    HA   ASN   3           HA       ASN   3   9.504   0.441  -5.938
  172    HB2  ASN   3           HB2      ASN   3  10.403   2.510  -5.026
  173    HB3  ASN   3           HB3      ASN   3  10.865   1.127  -4.041
  174   HD21  ASN   3          HD21      ASN   3  12.274   3.212  -3.407
  175   HD22  ASN   3          HD22      ASN   3  13.863   3.218  -4.152
  176    H    GLN   4           H        GLN   4   8.797   2.175  -7.164
  177    HA   GLN   4           HA       GLN   4  10.117   2.650  -9.783
  178    HB2  GLN   4           HB2      GLN   4   7.435   1.222  -9.400
  179    HB3  GLN   4           HB3      GLN   4   8.068   1.790 -10.942
  180    HG2  GLN   4           HG2      GLN   4  10.011   0.230 -10.691
  181    HG3  GLN   4           HG3      GLN   4   9.258  -0.416  -9.217
  182   HE21  GLN   4          HE21      GLN   4   8.648   0.034 -12.766
  183   HE22  GLN   4          HE22      GLN   4   7.585  -1.361 -12.867
  184    H    HIS   5           H        HIS   5   8.886   4.182 -11.109
  185    HA   HIS   5           HA       HIS   5   6.970   5.934  -9.632
  186    HD1  HIS   5           HD1      HIS   5   7.944   8.580  -9.252
  187    HD2  HIS   5           HD2      HIS   5  10.800   6.799 -11.777
  188    HE1  HIS   5           HE1      HIS   5  10.168   9.632  -8.652
  189    HB2  HIS   5           HB2      HIS   5   8.294   6.249 -12.361
  190    HB3  HIS   5           HB3      HIS   5   7.102   7.348 -11.670
  191    H    LEU   6           H        LEU   6   4.852   5.661  -9.984
  192    HA   LEU   6           HA       LEU   6   3.823   4.013 -12.256
  193    HG   LEU   6           HG       LEU   6   5.423   2.399 -10.193
  194    HB2  LEU   6           HB2      LEU   6   3.374   3.566  -9.282
  195    HB3  LEU   6           HB3      LEU   6   2.420   2.792 -10.543
  196   HD11  LEU   6          HD11      LEU   6   3.093   0.671  -9.284
  197   HD12  LEU   6          HD12      LEU   6   4.214   1.562  -8.238
  198   HD13  LEU   6          HD13      LEU   6   4.813   0.213  -9.220
  199   HD21  LEU   6          HD21      LEU   6   4.648   1.915 -12.502
  200   HD22  LEU   6          HD22      LEU   6   3.343   0.892 -11.856
  201   HD23  LEU   6          HD23      LEU   6   5.046   0.415 -11.652
  202    H    CYS   7           H        CYS   7   2.082   4.944 -13.143
  203    HA   CYS   7           HA       CYS   7   0.524   6.986 -11.605
  204    HB2  CYS   7           HB2      CYS   7   1.305   7.062 -14.535
  205    HB3  CYS   7           HB3      CYS   7   0.442   8.311 -13.657
  206    H    GLY   8           H        GLY   8  -1.619   6.832 -11.774
  207    HA2  GLY   8           HA2      GLY   8  -3.765   6.102 -12.333
  208    HA3  GLY   8           HA3      GLY   8  -3.170   6.390 -13.964
  209    H    SER   9           H        SER   9  -3.447   4.771 -15.329
  210    HA   SER   9           HA       SER   9  -4.457   2.217 -14.654
  211    HG   SER   9           HG       SER   9  -5.164   3.516 -17.914
  212    HB2  SER   9           HB2      SER   9  -2.998   3.049 -17.184
  213    HB3  SER   9           HB3      SER   9  -4.108   1.683 -17.000
  214    H    HIS  10           H        HIS  10  -1.076   3.274 -15.059
  215    HA   HIS  10           HA       HIS  10   0.023   0.569 -15.135
  216    HD1  HIS  10           HD1      HIS  10   1.855   0.852 -17.504
  217    HD2  HIS  10           HD2      HIS  10   0.594   4.740 -16.528
  218    HE1  HIS  10           HE1      HIS  10   1.564   2.079 -19.710
  219    HB2  HIS  10           HB2      HIS  10   1.324   3.241 -14.494
  220    HB3  HIS  10           HB3      HIS  10   2.169   1.742 -14.854
  221    H    LEU  11           H        LEU  11  -0.593   3.000 -12.580
  222    HA   LEU  11           HA       LEU  11   0.544   1.405 -10.435
  223    HG   LEU  11           HG       LEU  11  -1.579   2.411  -8.279
  224    HB2  LEU  11           HB2      LEU  11   0.235   3.860 -10.253
  225    HB3  LEU  11           HB3      LEU  11  -1.505   3.671 -10.401
  226   HD11  LEU  11          HD11      LEU  11   1.396   3.048  -8.075
  227   HD12  LEU  11          HD12      LEU  11   0.685   1.427  -8.215
  228   HD13  LEU  11          HD13      LEU  11   0.391   2.393  -6.766
  229   HD21  LEU  11          HD21      LEU  11  -0.231   5.124  -8.160
  230   HD22  LEU  11          HD22      LEU  11  -1.048   4.334  -6.795
  231   HD23  LEU  11          HD23      LEU  11  -1.973   4.784  -8.235
  232    H    VAL  12           H        VAL  12  -2.766   1.808 -11.720
  233    HA   VAL  12           HA       VAL  12  -4.064  -0.037  -9.984
  234    HB   VAL  12           HB       VAL  12  -4.669   0.895 -12.801
  235   HG11  VAL  12          HG11      VAL  12  -5.743  -1.303 -12.690
  236   HG12  VAL  12          HG12      VAL  12  -6.440  -0.909 -11.099
  237   HG13  VAL  12          HG13      VAL  12  -6.962  -0.030 -12.550
  238   HG21  VAL  12          HG21      VAL  12  -5.992   1.419 -10.109
  239   HG22  VAL  12          HG22      VAL  12  -4.893   2.534 -10.917
  240   HG23  VAL  12          HG23      VAL  12  -6.457   2.161 -11.659
  241    H    GLU  13           H        GLU  13  -2.449  -0.680 -13.129
  242    HA   GLU  13           HA       GLU  13  -2.885  -3.502 -13.160
  243    HB2  GLU  13           HB2      GLU  13  -2.091  -2.034 -15.060
  244    HB3  GLU  13           HB3      GLU  13  -0.520  -1.936 -14.277
  245    HG2  GLU  13           HG2      GLU  13  -0.322  -3.595 -15.945
  246    HG3  GLU  13           HG3      GLU  13  -0.417  -4.496 -14.439
  247    H    ALA  14           H        ALA  14  -0.103  -1.572 -11.858
  248    HA   ALA  14           HA       ALA  14   1.398  -3.798 -10.918
  249    HB1  ALA  14           HB1      ALA  14   2.589  -2.101  -9.579
  250    HB2  ALA  14           HB2      ALA  14   2.323  -1.542 -11.244
  251    HB3  ALA  14           HB3      ALA  14   1.310  -0.915  -9.932
  252    H    LEU  15           H        LEU  15  -1.087  -1.844  -9.190
  253    HA   LEU  15           HA       LEU  15  -0.945  -3.184  -6.672
  254    HG   LEU  15           HG       LEU  15  -1.190  -0.463  -7.003
  255    HB2  LEU  15           HB2      LEU  15  -3.158  -1.745  -8.187
  256    HB3  LEU  15           HB3      LEU  15  -3.448  -2.462  -6.615
  257   HD11  LEU  15          HD11      LEU  15  -4.082   0.124  -6.237
  258   HD12  LEU  15          HD12      LEU  15  -3.299   0.591  -7.763
  259   HD13  LEU  15          HD13      LEU  15  -2.740   1.289  -6.234
  260   HD21  LEU  15          HD21      LEU  15  -1.200  -1.827  -4.905
  261   HD22  LEU  15          HD22      LEU  15  -2.848  -1.282  -4.566
  262   HD23  LEU  15          HD23      LEU  15  -1.508  -0.114  -4.576
  263    H    TYR  16           H        TYR  16  -3.066  -3.938  -9.510
  264    HA   TYR  16           HA       TYR  16  -4.210  -6.289  -8.427
  265    HD1  TYR  16           HD1      TYR  16  -6.344  -7.342  -9.538
  266    HD2  TYR  16           HD2      TYR  16  -3.319  -7.443 -12.610
  267    HE1  TYR  16           HE1      TYR  16  -7.214  -9.539 -10.309
  268    HE2  TYR  16           HE2      TYR  16  -4.167  -9.654 -13.373
  269    HH   TYR  16           HH       TYR  16  -6.958 -11.278 -11.805
  270    HB2  TYR  16           HB2      TYR  16  -5.060  -5.213 -10.437
  271    HB3  TYR  16           HB3      TYR  16  -3.558  -5.509 -11.296
  272    H    LEU  17           H        LEU  17  -1.130  -5.936 -10.198
  273    HA   LEU  17           HA       LEU  17  -0.535  -8.773 -10.147
  274    HG   LEU  17           HG       LEU  17  -0.606  -6.916 -12.457
  275    HB2  LEU  17           HB2      LEU  17   1.153  -6.307 -10.710
  276    HB3  LEU  17           HB3      LEU  17   1.781  -7.944 -10.849
  277   HD11  LEU  17          HD11      LEU  17   2.321  -7.215 -13.270
  278   HD12  LEU  17          HD12      LEU  17   1.458  -5.677 -13.021
  279   HD13  LEU  17          HD13      LEU  17   0.980  -6.758 -14.344
  280   HD21  LEU  17          HD21      LEU  17  -0.142  -8.892 -13.891
  281   HD22  LEU  17          HD22      LEU  17  -0.620  -9.361 -12.260
  282   HD23  LEU  17          HD23      LEU  17   1.087  -9.437 -12.741
  283    H    VAL  18           H        VAL  18   0.399  -6.129  -8.006
  284    HA   VAL  18           HA       VAL  18   2.159  -7.683  -6.316
  285    HB   VAL  18           HB       VAL  18   0.612  -5.110  -5.892
  286   HG11  VAL  18          HG11      VAL  18   0.713  -6.067  -3.648
  287   HG12  VAL  18          HG12      VAL  18   2.436  -6.457  -3.848
  288   HG13  VAL  18          HG13      VAL  18   1.891  -4.765  -3.785
  289   HG21  VAL  18          HG21      VAL  18   2.675  -5.095  -7.351
  290   HG22  VAL  18          HG22      VAL  18   2.879  -4.124  -5.881
  291   HG23  VAL  18          HG23      VAL  18   3.603  -5.740  -5.991
  292    H    CYS  19           H        CYS  19  -1.343  -6.944  -6.146
  293    HA   CYS  19           HA       CYS  19  -1.676  -8.420  -3.672
  294    HB2  CYS  19           HB2      CYS  19  -3.692  -7.244  -5.608
  295    HB3  CYS  19           HB3      CYS  19  -4.087  -7.912  -4.028
  296    H    GLY  20           H        GLY  20  -2.144  -9.279  -7.088
  297    HA2  GLY  20           HA2      GLY  20  -2.218 -11.377  -8.070
  298    HA3  GLY  20           HA3      GLY  20  -1.792 -12.070  -6.496
  299    H    GLU  21           H        GLU  21  -3.264 -13.355  -5.604
  300    HA   GLU  21           HA       GLU  21  -5.967 -13.669  -6.646
  301    HB2  GLU  21           HB2      GLU  21  -4.610 -14.786  -4.164
  302    HB3  GLU  21           HB3      GLU  21  -6.192 -15.278  -4.748
  303    HG2  GLU  21           HG2      GLU  21  -3.571 -15.630  -6.261
  304    HG3  GLU  21           HG3      GLU  21  -4.425 -16.880  -5.369
  305    H    ARG  22           H        ARG  22  -4.551 -11.651  -4.165
  306    HA   ARG  22           HA       ARG  22  -7.006 -11.152  -2.654
  307    HE   ARG  22           HE       ARG  22  -2.305 -10.618  -2.375
  308    HB2  ARG  22           HB2      ARG  22  -4.389  -9.613  -2.768
  309    HB3  ARG  22           HB3      ARG  22  -5.662  -9.356  -1.599
  310    HG2  ARG  22           HG2      ARG  22  -5.313 -11.514  -0.586
  311    HG3  ARG  22           HG3      ARG  22  -4.212 -12.042  -1.865
  312    HD2  ARG  22           HD2      ARG  22  -3.629  -9.693  -0.014
  313    HD3  ARG  22           HD3      ARG  22  -3.077 -11.358   0.260
  314   HH11  ARG  22          HH11      ARG  22  -1.363  -9.795   0.979
  315   HH12  ARG  22          HH12      ARG  22   0.271  -9.413   0.440
  316   HH21  ARG  22          HH21      ARG  22  -0.103 -10.056  -2.853
  317   HH22  ARG  22          HH22      ARG  22   0.897  -9.519  -1.511
  318    H    GLY  23           H        GLY  23  -8.091  -9.101  -2.597
  319    HA2  GLY  23           HA2      GLY  23  -8.419  -7.670  -5.170
  320    HA3  GLY  23           HA3      GLY  23  -9.273  -7.356  -3.642
  321    H    PHE  24           H        PHE  24  -8.571  -5.134  -4.764
  322    HA   PHE  24           HA       PHE  24  -6.384  -4.042  -3.155
  323    HD1  PHE  24           HD2      PHE  24  -6.792  -5.744  -7.061
  324    HD2  PHE  24           HD1      PHE  24  -5.847  -1.576  -6.489
  325    HE1  PHE  24           HE2      PHE  24  -7.616  -5.236  -9.357
  326    HE2  PHE  24           HE1      PHE  24  -6.650  -1.080  -8.777
  327    HZ   PHE  24           HZ       PHE  24  -7.535  -2.914 -10.215
  328    HB2  PHE  24           HB2      PHE  24  -5.025  -3.270  -4.933
  329    HB3  PHE  24           HB3      PHE  24  -5.295  -4.977  -5.225
  330    H    PHE  25           H        PHE  25  -6.105  -1.643  -3.592
  331    HA   PHE  25           HA       PHE  25  -8.399  -0.181  -4.664
  332    HD1  PHE  25           HD2      PHE  25 -10.591   0.978  -3.860
  333    HD2  PHE  25           HD1      PHE  25  -7.700   1.985  -0.815
  334    HE1  PHE  25           HE2      PHE  25 -11.600   3.235  -3.647
  335    HE2  PHE  25           HE1      PHE  25  -8.730   4.231  -0.597
  336    HZ   PHE  25           HZ       PHE  25 -10.669   4.869  -2.009
  337    HB2  PHE  25           HB2      PHE  25  -9.217  -0.800  -2.431
  338    HB3  PHE  25           HB3      PHE  25  -7.735  -0.209  -1.693
  339    H    TYR  26           H        TYR  26  -7.959   2.049  -5.006
  340    HA   TYR  26           HA       TYR  26  -5.340   3.141  -4.222
  341    HD1  TYR  26           HD1      TYR  26  -7.045   0.885  -7.233
  342    HD2  TYR  26           HD2      TYR  26  -6.907   5.160  -7.774
  343    HE1  TYR  26           HE1      TYR  26  -8.833   0.717  -8.942
  344    HE2  TYR  26           HE2      TYR  26  -8.695   4.996  -9.505
  345    HH   TYR  26           HH       TYR  26 -10.163   1.853 -10.445
  346    HB2  TYR  26           HB2      TYR  26  -5.199   4.039  -6.501
  347    HB3  TYR  26           HB3      TYR  26  -5.094   2.291  -6.456
  348    H    THR  27           H        THR  27  -5.370   5.266  -3.645
  349    HA   THR  27           HA       THR  27  -7.907   6.745  -3.716
  350    HB   THR  27           HB       THR  27  -6.597   8.459  -2.397
  351    HG1  THR  27           HG1      THR  27  -4.812   7.305  -1.276
  352   HG21  THR  27          HG21      THR  27  -6.840   5.656  -1.221
  353   HG22  THR  27          HG22      THR  27  -8.181   6.811  -1.393
  354   HG23  THR  27          HG23      THR  27  -6.818   7.186  -0.324
  355    HA   PRO  28           HA       PRO  28  -6.315   8.780  -7.430
  356    HB2  PRO  28           HB2      PRO  28  -8.569  10.005  -8.280
  357    HB3  PRO  28           HB3      PRO  28  -8.445   8.222  -8.237
  358    HG2  PRO  28           HG2      PRO  28  -9.665  10.036  -6.126
  359    HG3  PRO  28           HG3      PRO  28 -10.417   8.613  -6.924
  360    HD2  PRO  28           HD2      PRO  28  -9.141   8.450  -4.503
  361    HD3  PRO  28           HD3      PRO  28  -9.098   7.112  -5.698
  362    H    LYS  29           H        LYS  29  -6.680  11.223  -8.306
  363    HA   LYS  29           HA       LYS  29  -5.839  13.128  -6.234
  364    HB2  LYS  29           HB2      LYS  29  -4.927  13.084  -8.528
  365    HB3  LYS  29           HB3      LYS  29  -6.517  13.474  -9.194
  366    HG2  LYS  29           HG2      LYS  29  -6.499  15.674  -8.268
  367    HG3  LYS  29           HG3      LYS  29  -5.198  15.265  -7.134
  368    HD2  LYS  29           HD2      LYS  29  -3.626  15.018  -9.063
  369    HD3  LYS  29           HD3      LYS  29  -4.923  15.466 -10.163
  370    HE2  LYS  29           HE2      LYS  29  -3.413  17.347  -9.719
  371    HE3  LYS  29           HE3      LYS  29  -5.064  17.703  -9.199
  372    HZ1  LYS  29           HZ1      LYS  29  -3.207  18.300  -7.587
  373    HZ2  LYS  29           HZ2      LYS  29  -3.019  16.683  -7.296
  374    HZ3  LYS  29           HZ3      LYS  29  -4.425  17.422  -6.946
  375    H    THR  30           H        THR  30  -8.863  12.130  -7.584
  376    HA   THR  30           HA       THR  30 -10.489  14.400  -7.437
  377    HB   THR  30           HB       THR  30 -11.407  11.577  -6.825
  378    HG1  THR  30           HG1      THR  30 -11.566  11.395  -9.089
  379   HG21  THR  30          HG21      THR  30 -13.167  13.312  -6.621
  380   HG22  THR  30          HG22      THR  30 -13.446  12.300  -8.043
  381   HG23  THR  30          HG23      THR  30 -12.757  13.930  -8.235
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -3.214  11.980  -3.472
    2    H2   GLY   1           H2       GLY   1  -2.701  11.326  -2.052
    3    H3   GLY   1           H3       GLY   1  -4.231  11.906  -2.188
    4    HA2  GLY   1           HA2      GLY   1  -4.415   9.579  -2.275
    5    HA3  GLY   1           HA3      GLY   1  -4.723  10.213  -3.898
    6    H    ILE   2           H        ILE   2  -3.892   7.529  -3.369
    7    HA   ILE   2           HA       ILE   2  -1.058   7.251  -3.356
    8    HB   ILE   2           HB       ILE   2  -1.386   4.876  -3.713
    9   HG12  ILE   2          HG12      ILE   2  -3.900   4.083  -3.651
   10   HG13  ILE   2          HG13      ILE   2  -4.233   5.597  -4.481
   11   HG21  ILE   2          HG21      ILE   2  -3.426   6.047  -1.780
   12   HG22  ILE   2          HG22      ILE   2  -2.653   4.453  -1.693
   13   HG23  ILE   2          HG23      ILE   2  -1.679   5.913  -1.497
   14   HD11  ILE   2          HD11      ILE   2  -3.939   3.660  -6.015
   15   HD12  ILE   2          HD12      ILE   2  -2.731   4.896  -6.331
   16   HD13  ILE   2          HD13      ILE   2  -2.294   3.433  -5.418
   17    H    VAL   3           H        VAL   3  -3.161   7.575  -6.168
   18    HA   VAL   3           HA       VAL   3  -1.129   6.909  -8.112
   19    HB   VAL   3           HB       VAL   3  -3.536   8.729  -8.281
   20   HG11  VAL   3          HG11      VAL   3  -1.653   7.921 -10.544
   21   HG12  VAL   3          HG12      VAL   3  -3.270   8.614 -10.781
   22   HG13  VAL   3          HG13      VAL   3  -2.018   9.576  -9.995
   23   HG21  VAL   3          HG21      VAL   3  -2.997   6.023  -9.585
   24   HG22  VAL   3          HG22      VAL   3  -3.910   6.217  -8.072
   25   HG23  VAL   3          HG23      VAL   3  -4.525   6.917  -9.580
   26    H    GLU   4           H        GLU   4  -1.976  10.056  -6.535
   27    HA   GLU   4           HA       GLU   4  -0.053  11.635  -7.954
   28    HB2  GLU   4           HB2      GLU   4  -1.172  12.018  -5.154
   29    HB3  GLU   4           HB3      GLU   4  -0.327  13.243  -6.092
   30    HG2  GLU   4           HG2      GLU   4  -2.101  13.354  -7.728
   31    HG3  GLU   4           HG3      GLU   4  -2.926  11.960  -7.026
   32    H    GLN   5           H        GLN   5   0.106   9.894  -4.820
   33    HA   GLN   5           HA       GLN   5   2.766  10.546  -4.086
   34    HB2  GLN   5           HB2      GLN   5   1.119   9.439  -2.604
   35    HB3  GLN   5           HB3      GLN   5   1.144   8.004  -3.631
   36    HG2  GLN   5           HG2      GLN   5   3.623   7.751  -3.089
   37    HG3  GLN   5           HG3      GLN   5   3.441   9.074  -1.933
   38   HE21  GLN   5          HE21      GLN   5   1.941   5.872  -2.819
   39   HE22  GLN   5          HE22      GLN   5   1.610   5.429  -1.154
   40    H    CYS   6           H        CYS   6   1.642   7.616  -5.942
   41    HA   CYS   6           HA       CYS   6   4.410   6.807  -6.275
   42    HB2  CYS   6           HB2      CYS   6   2.120   5.428  -6.094
   43    HB3  CYS   6           HB3      CYS   6   2.214   5.538  -7.853
   44    H    CYS   7           H        CYS   7   2.388   8.819  -8.203
   45    HA   CYS   7           HA       CYS   7   3.940   8.297 -10.695
   46    HB2  CYS   7           HB2      CYS   7   1.448   8.355 -10.694
   47    HB3  CYS   7           HB3      CYS   7   1.517  10.057 -10.235
   48    H    THR   8           H        THR   8   3.047  11.134  -8.645
   49    HA   THR   8           HA       THR   8   4.829  12.934 -10.104
   50    HB   THR   8           HB       THR   8   3.334  13.385  -7.490
   51    HG1  THR   8           HG1      THR   8   1.736  14.240  -8.886
   52   HG21  THR   8          HG21      THR   8   3.383  15.758  -8.202
   53   HG22  THR   8          HG22      THR   8   4.398  15.317  -9.598
   54   HG23  THR   8          HG23      THR   8   5.013  15.124  -7.944
   55    H    SER   9           H        SER   9   4.857  11.253  -6.986
   56    HA   SER   9           HA       SER   9   7.839  11.589  -6.893
   57    HG   SER   9           HG       SER   9   8.007  11.441  -3.436
   58    HB2  SER   9           HB2      SER   9   6.597  12.462  -4.881
   59    HB3  SER   9           HB3      SER   9   6.034  10.812  -4.581
   60    H    ILE  10           H        ILE  10   8.012   9.266  -5.177
   61    HA   ILE  10           HA       ILE  10   7.438   7.036  -7.111
   62    HB   ILE  10           HB       ILE  10   9.399   5.893  -6.076
   63   HG12  ILE  10          HG12      ILE  10  10.184   8.604  -4.935
   64   HG13  ILE  10          HG13      ILE  10   9.466   7.310  -3.975
   65   HG21  ILE  10          HG21      ILE  10  10.115   8.511  -7.445
   66   HG22  ILE  10          HG22      ILE  10  11.058   7.009  -7.449
   67   HG23  ILE  10          HG23      ILE  10   9.492   7.050  -8.259
   68   HD11  ILE  10          HD11      ILE  10  11.355   5.826  -4.489
   69   HD12  ILE  10          HD12      ILE  10  12.122   7.127  -5.440
   70   HD13  ILE  10          HD13      ILE  10  11.881   7.325  -3.699
   71    H    CYS  11           H        CYS  11   7.062   4.931  -6.170
   72    HA   CYS  11           HA       CYS  11   6.830   4.746  -3.277
   73    HB2  CYS  11           HB2      CYS  11   4.641   4.178  -2.984
   74    HB3  CYS  11           HB3      CYS  11   4.524   5.512  -4.107
   75    H    SER  12           H        SER  12   6.267   2.459  -2.589
   76    HA   SER  12           HA       SER  12   8.049   0.674  -4.207
   77    HG   SER  12           HG       SER  12   9.686   1.532  -1.158
   78    HB2  SER  12           HB2      SER  12   7.515   0.794  -1.217
   79    HB3  SER  12           HB3      SER  12   8.587  -0.365  -2.023
   80    H    LEU  13           H        LEU  13   7.726  -1.603  -4.257
   81    HA   LEU  13           HA       LEU  13   5.044  -2.499  -4.653
   82    HG   LEU  13           HG       LEU  13   7.914  -2.829  -6.161
   83    HB2  LEU  13           HB2      LEU  13   7.593  -4.066  -4.073
   84    HB3  LEU  13           HB3      LEU  13   6.086  -4.751  -4.657
   85   HD11  LEU  13          HD11      LEU  13   8.256  -4.727  -7.673
   86   HD12  LEU  13          HD12      LEU  13   7.107  -5.713  -6.733
   87   HD13  LEU  13          HD13      LEU  13   8.649  -5.208  -6.012
   88   HD21  LEU  13          HD21      LEU  13   5.641  -2.244  -6.814
   89   HD22  LEU  13          HD22      LEU  13   5.221  -3.957  -7.032
   90   HD23  LEU  13          HD23      LEU  13   6.382  -3.172  -8.114
   91    H    TYR  14           H        TYR  14   7.067  -2.541  -1.763
   92    HA   TYR  14           HA       TYR  14   5.305  -4.099  -0.149
   93    HD1  TYR  14           HD1      TYR  14   6.425  -5.324   1.912
   94    HD2  TYR  14           HD2      TYR  14   6.776  -1.105   2.742
   95    HE1  TYR  14           HE1      TYR  14   5.982  -5.766   4.317
   96    HE2  TYR  14           HE2      TYR  14   6.326  -1.539   5.148
   97    HH   TYR  14           HH       TYR  14   5.744  -4.846   6.415
   98    HB2  TYR  14           HB2      TYR  14   7.663  -3.633   0.356
   99    HB3  TYR  14           HB3      TYR  14   7.309  -1.919   0.576
  100    H    GLN  15           H        GLN  15   5.087  -0.773  -1.184
  101    HA   GLN  15           HA       GLN  15   3.024  -0.015   0.824
  102    HB2  GLN  15           HB2      GLN  15   4.069   1.452  -1.641
  103    HB3  GLN  15           HB3      GLN  15   2.836   2.056  -0.555
  104    HG2  GLN  15           HG2      GLN  15   4.407   2.060   1.335
  105    HG3  GLN  15           HG3      GLN  15   5.675   1.366   0.319
  106   HE21  GLN  15          HE21      GLN  15   3.846   4.349   1.007
  107   HE22  GLN  15          HE22      GLN  15   4.869   5.368   0.011
  108    H    LEU  16           H        LEU  16   3.275  -0.906  -2.672
  109    HA   LEU  16           HA       LEU  16   0.458  -1.010  -3.177
  110    HG   LEU  16           HG       LEU  16   0.889  -0.503  -5.506
  111    HB2  LEU  16           HB2      LEU  16   2.813  -2.554  -4.324
  112    HB3  LEU  16           HB3      LEU  16   1.162  -2.899  -4.786
  113   HD11  LEU  16          HD11      LEU  16   2.767   0.594  -4.342
  114   HD12  LEU  16          HD12      LEU  16   2.881   0.794  -6.093
  115   HD13  LEU  16          HD13      LEU  16   3.919  -0.390  -5.286
  116   HD21  LEU  16          HD21      LEU  16   1.318  -2.395  -7.054
  117   HD22  LEU  16          HD22      LEU  16   3.063  -2.129  -6.891
  118   HD23  LEU  16          HD23      LEU  16   2.037  -0.890  -7.642
  119    H    GLU  17           H        GLU  17   2.593  -3.492  -1.731
  120    HA   GLU  17           HA       GLU  17   0.612  -5.468  -1.340
  121    HB2  GLU  17           HB2      GLU  17   3.104  -5.741  -1.178
  122    HB3  GLU  17           HB3      GLU  17   3.044  -4.968   0.415
  123    HG2  GLU  17           HG2      GLU  17   1.552  -6.770   1.229
  124    HG3  GLU  17           HG3      GLU  17   1.545  -7.504  -0.373
  125    H    ASN  18           H        ASN  18   1.493  -2.689   0.746
  126    HA   ASN  18           HA       ASN  18  -0.295  -3.337   2.920
  127    HB2  ASN  18           HB2      ASN  18   1.608  -1.833   3.183
  128    HB3  ASN  18           HB3      ASN  18   0.949  -0.721   1.983
  129   HD21  ASN  18          HD21      ASN  18  -0.503   0.864   2.637
  130   HD22  ASN  18          HD22      ASN  18  -1.139   0.959   4.275
  131    H    TYR  19           H        TYR  19  -0.814  -1.802  -0.235
  132    HA   TYR  19           HA       TYR  19  -3.502  -0.835   0.442
  133    HD1  TYR  19           HD1      TYR  19  -2.645   1.108   0.919
  134    HD2  TYR  19           HD2      TYR  19  -0.782   0.995  -2.968
  135    HE1  TYR  19           HE1      TYR  19  -1.283   3.091   1.515
  136    HE2  TYR  19           HE2      TYR  19   0.595   2.971  -2.368
  137    HH   TYR  19           HH       TYR  19   0.365   4.529   0.868
  138    HB2  TYR  19           HB2      TYR  19  -2.009  -0.913  -2.196
  139    HB3  TYR  19           HB3      TYR  19  -3.503  -0.065  -1.879
  140    H    CYS  20           H        CYS  20  -2.337  -3.913  -0.357
  141    HA   CYS  20           HA       CYS  20  -4.457  -4.880  -2.023
  142    HB2  CYS  20           HB2      CYS  20  -2.820  -6.312   0.086
  143    HB3  CYS  20           HB3      CYS  20  -3.850  -7.092  -1.120
  144    H    ASN  21           H        ASN  21  -6.321  -5.991  -1.573
  145    HA   ASN  21           HA       ASN  21  -7.932  -5.088   0.666
  146    HB2  ASN  21           HB2      ASN  21  -8.876  -5.376  -1.576
  147    HB3  ASN  21           HB3      ASN  21  -8.356  -7.061  -1.600
  148   HD21  ASN  21          HD21      ASN  21 -10.176  -8.267  -1.618
  149   HD22  ASN  21          HD22      ASN  21 -11.522  -8.047  -0.498
  150    HA   PHE   1           HA       PHE   1  12.155  -4.166  -1.577
  151    HD1  PHE   1           HD1      PHE   1  10.372  -5.298  -0.141
  152    HD2  PHE   1           HD2      PHE   1  10.515  -1.330   1.564
  153    HE1  PHE   1           HE1      PHE   1   9.883  -6.234   2.111
  154    HE2  PHE   1           HE2      PHE   1  10.024  -2.279   3.797
  155    HZ   PHE   1           HZ       PHE   1   9.711  -4.721   4.080
  156    H1   PHE   1           H1       PHE   1  14.158  -3.085  -0.860
  157    H2   PHE   1           H2       PHE   1  13.130  -3.245   0.407
  158    H3   PHE   1           H3       PHE   1  13.331  -1.783  -0.316
  159    HB2  PHE   1           HB2      PHE   1  10.744  -1.586  -0.769
  160    HB3  PHE   1           HB3      PHE   1  10.005  -3.000  -1.502
  161    H    VAL   2           H        VAL   2  11.055  -3.616  -3.721
  162    HA   VAL   2           HA       VAL   2  12.773  -1.855  -5.351
  163    HB   VAL   2           HB       VAL   2  10.369  -3.540  -6.123
  164   HG11  VAL   2          HG11      VAL   2  12.356  -2.038  -7.886
  165   HG12  VAL   2          HG12      VAL   2  11.163  -3.214  -8.472
  166   HG13  VAL   2          HG13      VAL   2  10.612  -1.710  -7.728
  167   HG21  VAL   2          HG21      VAL   2  13.350  -4.039  -6.533
  168   HG22  VAL   2          HG22      VAL   2  12.288  -4.937  -5.432
  169   HG23  VAL   2          HG23      VAL   2  12.036  -5.045  -7.175
  170    H    ASN   3           H        ASN   3  12.312   0.140  -5.894
  171    HA   ASN   3           HA       ASN   3   9.589   1.298  -5.464
  172    HB2  ASN   3           HB2      ASN   3  10.638   3.385  -4.828
  173    HB3  ASN   3           HB3      ASN   3  11.259   2.105  -3.799
  174   HD21  ASN   3          HD21      ASN   3  12.111   4.514  -6.225
  175   HD22  ASN   3          HD22      ASN   3  13.830   4.173  -6.213
  176    H    GLN   4           H        GLN   4   8.770   2.734  -6.942
  177    HA   GLN   4           HA       GLN   4  10.181   3.120  -9.537
  178    HB2  GLN   4           HB2      GLN   4   7.552   1.603  -9.165
  179    HB3  GLN   4           HB3      GLN   4   8.221   2.115 -10.720
  180    HG2  GLN   4           HG2      GLN   4  10.232   0.660 -10.264
  181    HG3  GLN   4           HG3      GLN   4   9.407   0.051  -8.819
  182   HE21  GLN   4          HE21      GLN   4   7.246  -1.070  -9.166
  183   HE22  GLN   4          HE22      GLN   4   7.045  -1.922 -10.685
  184    H    HIS   5           H        HIS   5   8.918   4.486 -11.011
  185    HA   HIS   5           HA       HIS   5   6.840   6.214  -9.763
  186    HD1  HIS   5           HD1      HIS   5   7.423   9.026  -9.711
  187    HD2  HIS   5           HD2      HIS   5  10.550   7.387 -11.997
  188    HE1  HIS   5           HE1      HIS   5   9.438  10.528  -9.337
  189    HB2  HIS   5           HB2      HIS   5   8.212   6.370 -12.479
  190    HB3  HIS   5           HB3      HIS   5   6.851   7.362 -11.986
  191    H    LEU   6           H        LEU   6   4.787   5.561 -10.075
  192    HA   LEU   6           HA       LEU   6   4.027   3.826 -12.382
  193    HG   LEU   6           HG       LEU   6   5.553   2.399 -10.049
  194    HB2  LEU   6           HB2      LEU   6   3.314   3.401  -9.467
  195    HB3  LEU   6           HB3      LEU   6   2.598   2.509 -10.801
  196   HD11  LEU   6          HD11      LEU   6   4.158   1.475  -8.249
  197   HD12  LEU   6          HD12      LEU   6   5.003   0.170  -9.101
  198   HD13  LEU   6          HD13      LEU   6   3.282   0.467  -9.415
  199   HD21  LEU   6          HD21      LEU   6   5.103   1.811 -12.425
  200   HD22  LEU   6          HD22      LEU   6   3.854   0.659 -11.900
  201   HD23  LEU   6          HD23      LEU   6   5.562   0.383 -11.496
  202    H    CYS   7           H        CYS   7   2.241   4.560 -13.369
  203    HA   CYS   7           HA       CYS   7   0.525   6.611 -12.023
  204    HB2  CYS   7           HB2      CYS   7   1.572   6.616 -14.869
  205    HB3  CYS   7           HB3      CYS   7   0.554   7.851 -14.155
  206    H    GLY   8           H        GLY   8  -1.587   6.409 -12.367
  207    HA2  GLY   8           HA2      GLY   8  -3.655   5.579 -13.036
  208    HA3  GLY   8           HA3      GLY   8  -2.955   5.795 -14.633
  209    H    SER   9           H        SER   9  -3.185   4.097 -15.895
  210    HA   SER   9           HA       SER   9  -4.155   1.558 -15.124
  211    HG   SER   9           HG       SER   9  -4.753   2.674 -18.480
  212    HB2  SER   9           HB2      SER   9  -2.620   2.303 -17.645
  213    HB3  SER   9           HB3      SER   9  -3.695   0.911 -17.434
  214    H    HIS  10           H        HIS  10  -0.787   2.685 -15.420
  215    HA   HIS  10           HA       HIS  10   0.368  -0.003 -15.370
  216    HD1  HIS  10           HD1      HIS  10   2.198   0.130 -17.643
  217    HD2  HIS  10           HD2      HIS  10   1.001   4.105 -16.987
  218    HE1  HIS  10           HE1      HIS  10   1.998   1.203 -19.949
  219    HB2  HIS  10           HB2      HIS  10   1.586   2.736 -14.839
  220    HB3  HIS  10           HB3      HIS  10   2.486   1.243 -15.058
  221    H    LEU  11           H        LEU  11  -0.416   2.491 -12.913
  222    HA   LEU  11           HA       LEU  11   0.679   0.941 -10.705
  223    HG   LEU  11           HG       LEU  11  -1.475   2.142  -8.586
  224    HB2  LEU  11           HB2      LEU  11   0.401   3.399 -10.620
  225    HB3  LEU  11           HB3      LEU  11  -1.344   3.224 -10.752
  226   HD11  LEU  11          HD11      LEU  11   0.659   0.899  -8.480
  227   HD12  LEU  11          HD12      LEU  11   0.450   1.921  -7.061
  228   HD13  LEU  11          HD13      LEU  11   1.549   2.427  -8.358
  229   HD21  LEU  11          HD21      LEU  11  -0.637   4.054  -7.173
  230   HD22  LEU  11          HD22      LEU  11  -1.565   4.554  -8.596
  231   HD23  LEU  11          HD23      LEU  11   0.207   4.680  -8.595
  232    H    VAL  12           H        VAL  12  -2.590   1.312 -12.130
  233    HA   VAL  12           HA       VAL  12  -3.946  -0.511 -10.415
  234    HB   VAL  12           HB       VAL  12  -4.417   0.149 -13.340
  235   HG11  VAL  12          HG11      VAL  12  -5.470  -2.046 -12.974
  236   HG12  VAL  12          HG12      VAL  12  -6.270  -1.421 -11.509
  237   HG13  VAL  12          HG13      VAL  12  -6.696  -0.790 -13.110
  238   HG21  VAL  12          HG21      VAL  12  -5.899   0.989 -10.814
  239   HG22  VAL  12          HG22      VAL  12  -4.767   1.999 -11.722
  240   HG23  VAL  12          HG23      VAL  12  -6.283   1.496 -12.471
  241    H    GLU  13           H        GLU  13  -2.131  -1.223 -13.433
  242    HA   GLU  13           HA       GLU  13  -2.485  -4.053 -13.372
  243    HB2  GLU  13           HB2      GLU  13  -1.683  -2.700 -15.298
  244    HB3  GLU  13           HB3      GLU  13  -0.145  -2.434 -14.473
  245    HG2  GLU  13           HG2      GLU  13   0.313  -4.858 -14.501
  246    HG3  GLU  13           HG3      GLU  13  -1.272  -5.168 -15.220
  247    H    ALA  14           H        ALA  14   0.170  -2.006 -12.012
  248    HA   ALA  14           HA       ALA  14   1.693  -4.166 -10.941
  249    HB1  ALA  14           HB1      ALA  14   2.790  -2.398  -9.614
  250    HB2  ALA  14           HB2      ALA  14   2.547  -1.874 -11.293
  251    HB3  ALA  14           HB3      ALA  14   1.476  -1.268 -10.007
  252    H    LEU  15           H        LEU  15  -0.897  -2.216  -9.375
  253    HA   LEU  15           HA       LEU  15  -0.881  -3.534  -6.845
  254    HG   LEU  15           HG       LEU  15  -1.081  -0.793  -7.249
  255    HB2  LEU  15           HB2      LEU  15  -3.015  -2.090  -8.459
  256    HB3  LEU  15           HB3      LEU  15  -3.351  -2.770  -6.877
  257   HD11  LEU  15          HD11      LEU  15  -3.170   0.272  -8.068
  258   HD12  LEU  15          HD12      LEU  15  -2.621   0.993  -6.550
  259   HD13  LEU  15          HD13      LEU  15  -3.980  -0.149  -6.547
  260   HD21  LEU  15          HD21      LEU  15  -2.799  -1.564  -4.834
  261   HD22  LEU  15          HD22      LEU  15  -1.453  -0.403  -4.833
  262   HD23  LEU  15          HD23      LEU  15  -1.143  -2.124  -5.126
  263    H    TYR  16           H        TYR  16  -2.802  -4.308  -9.809
  264    HA   TYR  16           HA       TYR  16  -4.069  -6.616  -8.762
  265    HD1  TYR  16           HD1      TYR  16  -6.233  -7.558 -10.134
  266    HD2  TYR  16           HD2      TYR  16  -2.787  -8.022 -12.693
  267    HE1  TYR  16           HE1      TYR  16  -7.069  -9.778 -10.853
  268    HE2  TYR  16           HE2      TYR  16  -3.627 -10.255 -13.409
  269    HH   TYR  16           HH       TYR  16  -6.695 -11.634 -12.158
  270    HB2  TYR  16           HB2      TYR  16  -4.736  -5.573 -10.873
  271    HB3  TYR  16           HB3      TYR  16  -3.182  -5.945 -11.599
  272    H    LEU  17           H        LEU  17  -0.847  -6.307 -10.270
  273    HA   LEU  17           HA       LEU  17  -0.290  -9.159 -10.142
  274    HG   LEU  17           HG       LEU  17  -0.175  -7.371 -12.496
  275    HB2  LEU  17           HB2      LEU  17   1.447  -6.707 -10.630
  276    HB3  LEU  17           HB3      LEU  17   2.082  -8.347 -10.688
  277   HD11  LEU  17          HD11      LEU  17   2.802  -7.671 -13.083
  278   HD12  LEU  17          HD12      LEU  17   1.918  -6.130 -12.938
  279   HD13  LEU  17          HD13      LEU  17   1.539  -7.246 -14.260
  280   HD21  LEU  17          HD21      LEU  17   1.550  -9.880 -12.577
  281   HD22  LEU  17          HD22      LEU  17   0.396  -9.378 -13.832
  282   HD23  LEU  17          HD23      LEU  17  -0.194  -9.809 -12.232
  283    H    VAL  18           H        VAL  18   0.548  -6.475  -7.991
  284    HA   VAL  18           HA       VAL  18   2.168  -8.100  -6.212
  285    HB   VAL  18           HB       VAL  18   0.781  -5.437  -5.803
  286   HG11  VAL  18          HG11      VAL  18   2.205  -5.172  -3.766
  287   HG12  VAL  18          HG12      VAL  18   0.940  -6.386  -3.561
  288   HG13  VAL  18          HG13      VAL  18   2.621  -6.895  -3.850
  289   HG21  VAL  18          HG21      VAL  18   2.790  -5.534  -7.350
  290   HG22  VAL  18          HG22      VAL  18   3.072  -4.551  -5.908
  291   HG23  VAL  18          HG23      VAL  18   3.741  -6.191  -6.014
  292    H    CYS  19           H        CYS  19  -1.305  -7.230  -6.234
  293    HA   CYS  19           HA       CYS  19  -1.748  -8.635  -3.687
  294    HB2  CYS  19           HB2      CYS  19  -3.666  -7.150  -5.517
  295    HB3  CYS  19           HB3      CYS  19  -4.005  -7.693  -3.873
  296    H    GLY  20           H        GLY  20  -2.251  -9.399  -7.075
  297    HA2  GLY  20           HA2      GLY  20  -3.090 -11.289  -8.123
  298    HA3  GLY  20           HA3      GLY  20  -3.013 -12.120  -6.561
  299    H    GLU  21           H        GLU  21  -4.923 -13.162  -6.721
  300    HA   GLU  21           HA       GLU  21  -7.397 -12.147  -7.577
  301    HB2  GLU  21           HB2      GLU  21  -6.956 -14.419  -5.594
  302    HB3  GLU  21           HB3      GLU  21  -8.375 -14.123  -6.588
  303    HG2  GLU  21           HG2      GLU  21  -7.449 -15.677  -7.910
  304    HG3  GLU  21           HG3      GLU  21  -6.595 -14.303  -8.595
  305    H    ARG  22           H        ARG  22  -5.877 -11.374  -4.577
  306    HA   ARG  22           HA       ARG  22  -8.064 -11.118  -2.786
  307    HE   ARG  22           HE       ARG  22  -5.575  -9.395   0.122
  308    HB2  ARG  22           HB2      ARG  22  -5.512  -9.471  -3.076
  309    HB3  ARG  22           HB3      ARG  22  -6.630  -9.348  -1.717
  310    HG2  ARG  22           HG2      ARG  22  -6.220 -11.659  -1.057
  311    HG3  ARG  22           HG3      ARG  22  -5.201 -11.926  -2.477
  312    HD2  ARG  22           HD2      ARG  22  -3.808 -11.577  -0.521
  313    HD3  ARG  22           HD3      ARG  22  -3.574 -10.266  -1.687
  314   HH11  ARG  22          HH21      ARG  22  -2.118 -10.183   0.391
  315   HH12  ARG  22          HH22      ARG  22  -1.916  -9.077   1.719
  316   HH21  ARG  22          HH11      ARG  22  -5.268  -8.093   1.714
  317   HH22  ARG  22          HH12      ARG  22  -3.711  -7.887   2.511
  318    H    GLY  23           H        GLY  23  -6.935  -8.900  -5.322
  319    HA2  GLY  23           HA2      GLY  23  -7.921  -6.913  -6.164
  320    HA3  GLY  23           HA3      GLY  23  -9.159  -6.970  -4.897
  321    H    PHE  24           H        PHE  24  -8.265  -4.586  -5.166
  322    HA   PHE  24           HA       PHE  24  -6.453  -3.979  -2.919
  323    HD1  PHE  24           HD2      PHE  24  -6.134  -1.265  -6.232
  324    HD2  PHE  24           HD1      PHE  24  -5.590  -5.520  -6.691
  325    HE1  PHE  24           HE2      PHE  24  -6.659  -1.073  -8.647
  326    HE2  PHE  24           HE1      PHE  24  -6.193  -5.331  -9.085
  327    HZ   PHE  24           HZ       PHE  24  -6.713  -3.119 -10.075
  328    HB2  PHE  24           HB2      PHE  24  -4.971  -2.660  -4.478
  329    HB3  PHE  24           HB3      PHE  24  -4.877  -4.398  -4.664
  330    H    PHE  25           H        PHE  25  -6.246  -1.808  -2.401
  331    HA   PHE  25           HA       PHE  25  -8.489  -0.003  -2.980
  332    HD1  PHE  25           HD2      PHE  25  -9.400   1.775  -1.099
  333    HD2  PHE  25           HD1      PHE  25  -5.134   2.339  -1.344
  334    HE1  PHE  25           HE2      PHE  25  -9.708   4.227  -0.849
  335    HE2  PHE  25           HE1      PHE  25  -5.442   4.783  -1.073
  336    HZ   PHE  25           HZ       PHE  25  -7.723   5.731  -0.817
  337    HB2  PHE  25           HB2      PHE  25  -7.681  -0.134  -0.684
  338    HB3  PHE  25           HB3      PHE  25  -6.024   0.141  -1.208
  339    H    TYR  26           H        TYR  26  -8.314   1.885  -4.057
  340    HA   TYR  26           HA       TYR  26  -5.852   2.886  -5.250
  341    HD1  TYR  26           HD1      TYR  26  -4.554   2.339  -7.927
  342    HD2  TYR  26           HD2      TYR  26  -8.672   3.532  -8.351
  343    HE1  TYR  26           HE1      TYR  26  -3.949   3.724  -9.909
  344    HE2  TYR  26           HE2      TYR  26  -8.077   4.920 -10.325
  345    HH   TYR  26           HH       TYR  26  -6.405   5.584 -11.752
  346    HB2  TYR  26           HB2      TYR  26  -6.389   1.096  -6.825
  347    HB3  TYR  26           HB3      TYR  26  -8.052   1.641  -6.948
  348    H    THR  27           H        THR  27  -6.038   5.042  -5.933
  349    HA   THR  27           HA       THR  27  -8.564   6.321  -6.353
  350    HB   THR  27           HB       THR  27  -8.748   6.360  -3.980
  351    HG1  THR  27           HG1      THR  27  -9.067   8.561  -3.855
  352   HG21  THR  27          HG21      THR  27  -6.332   6.265  -3.333
  353   HG22  THR  27          HG22      THR  27  -7.216   7.569  -2.528
  354   HG23  THR  27          HG23      THR  27  -6.143   7.946  -3.882
  355    HA   PRO  28           HA       PRO  28  -5.654   8.672  -8.764
  356    HB2  PRO  28           HB2      PRO  28  -7.308  10.414 -10.024
  357    HB3  PRO  28           HB3      PRO  28  -7.312   8.659 -10.367
  358    HG2  PRO  28           HG2      PRO  28  -9.157  10.193  -8.496
  359    HG3  PRO  28           HG3      PRO  28  -9.604   9.030  -9.785
  360    HD2  PRO  28           HD2      PRO  28  -9.391   8.269  -7.181
  361    HD3  PRO  28           HD3      PRO  28  -8.888   7.186  -8.509
  362    H    LYS  29           H        LYS  29  -7.766  10.242  -6.380
  363    HA   LYS  29           HA       LYS  29  -5.769  12.193  -5.651
  364    HB2  LYS  29           HB2      LYS  29  -6.679  13.174  -7.775
  365    HB3  LYS  29           HB3      LYS  29  -8.283  13.239  -7.040
  366    HG2  LYS  29           HG2      LYS  29  -7.490  14.835  -5.358
  367    HG3  LYS  29           HG3      LYS  29  -5.816  14.582  -5.870
  368    HD2  LYS  29           HD2      LYS  29  -6.505  15.513  -8.171
  369    HD3  LYS  29           HD3      LYS  29  -8.054  15.937  -7.419
  370    HE2  LYS  29           HE2      LYS  29  -6.770  17.913  -7.253
  371    HE3  LYS  29           HE3      LYS  29  -6.693  17.199  -5.636
  372    HZ1  LYS  29           HZ1      LYS  29  -4.499  17.888  -6.320
  373    HZ2  LYS  29           HZ2      LYS  29  -4.583  17.065  -7.725
  374    HZ3  LYS  29           HZ3      LYS  29  -4.474  16.248  -6.319
  375    H    THR  30           H        THR  30  -6.139  13.113  -3.671
  376    HA   THR  30           HA       THR  30  -8.760  12.893  -2.316
  377    HB   THR  30           HB       THR  30  -7.702  12.079  -0.223
  378    HG1  THR  30           HG1      THR  30  -5.718  11.208  -0.259
  379   HG21  THR  30          HG21      THR  30  -7.665   9.717  -0.807
  380   HG22  THR  30          HG22      THR  30  -7.459  10.098  -2.523
  381   HG23  THR  30          HG23      THR  30  -8.968  10.532  -1.687
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -2.209   9.481  -0.638
    2    H2   GLY   1           H2       GLY   1  -3.161   8.174  -0.348
    3    H3   GLY   1           H3       GLY   1  -3.767   9.701  -0.218
    4    HA2  GLY   1           HA2      GLY   1  -4.521   8.647  -2.292
    5    HA3  GLY   1           HA3      GLY   1  -3.562  10.114  -2.534
    6    H    ILE   2           H        ILE   2  -3.594   6.602  -2.906
    7    HA   ILE   2           HA       ILE   2  -0.755   6.346  -3.340
    8    HB   ILE   2           HB       ILE   2  -2.257   4.519  -2.577
    9   HG12  ILE   2          HG12      ILE   2  -1.258   2.660  -3.829
   10   HG13  ILE   2          HG13      ILE   2  -0.641   3.779  -5.038
   11   HG21  ILE   2          HG21      ILE   2  -3.110   4.210  -5.487
   12   HG22  ILE   2          HG22      ILE   2  -3.591   3.208  -4.115
   13   HG23  ILE   2          HG23      ILE   2  -4.134   4.885  -4.199
   14   HD11  ILE   2          HD11      ILE   2   0.834   4.819  -3.346
   15   HD12  ILE   2          HD12      ILE   2   0.103   3.811  -2.069
   16   HD13  ILE   2          HD13      ILE   2   1.069   3.068  -3.351
   17    H    VAL   3           H        VAL   3  -3.410   6.891  -5.643
   18    HA   VAL   3           HA       VAL   3  -1.831   6.250  -7.959
   19    HB   VAL   3           HB       VAL   3  -4.325   7.965  -7.768
   20   HG11  VAL   3          HG11      VAL   3  -3.260   8.385  -9.932
   21   HG12  VAL   3          HG12      VAL   3  -3.049   6.637 -10.200
   22   HG13  VAL   3          HG13      VAL   3  -4.673   7.362 -10.169
   23   HG21  VAL   3          HG21      VAL   3  -4.003   5.013  -8.440
   24   HG22  VAL   3          HG22      VAL   3  -4.657   5.634  -6.922
   25   HG23  VAL   3          HG23      VAL   3  -5.534   5.929  -8.417
   26    H    GLU   4           H        GLU   4  -2.438   9.334  -6.257
   27    HA   GLU   4           HA       GLU   4  -0.853  10.911  -8.134
   28    HB2  GLU   4           HB2      GLU   4  -1.814  11.474  -5.302
   29    HB3  GLU   4           HB3      GLU   4  -0.907  12.621  -6.285
   30    HG2  GLU   4           HG2      GLU   4  -3.616  11.442  -7.035
   31    HG3  GLU   4           HG3      GLU   4  -3.344  13.035  -6.326
   32    H    GLN   5           H        GLN   5  -0.164   9.371  -4.916
   33    HA   GLN   5           HA       GLN   5   2.475  10.374  -4.667
   34    HB2  GLN   5           HB2      GLN   5   1.127   9.173  -2.877
   35    HB3  GLN   5           HB3      GLN   5   1.481   7.656  -3.708
   36    HG2  GLN   5           HG2      GLN   5   4.020   8.636  -3.474
   37    HG3  GLN   5           HG3      GLN   5   3.293   9.445  -2.102
   38   HE21  GLN   5          HE21      GLN   5   5.129   6.868  -2.854
   39   HE22  GLN   5          HE22      GLN   5   4.559   5.697  -1.669
   40    H    CYS   6           H        CYS   6   1.439   7.185  -6.036
   41    HA   CYS   6           HA       CYS   6   4.021   6.252  -6.736
   42    HB2  CYS   6           HB2      CYS   6   1.237   5.735  -7.842
   43    HB3  CYS   6           HB3      CYS   6   2.654   4.870  -8.405
   44    H    CYS   7           H        CYS   7   1.998   8.537  -8.426
   45    HA   CYS   7           HA       CYS   7   3.521   8.176 -10.962
   46    HB2  CYS   7           HB2      CYS   7   1.030   8.006 -10.856
   47    HB3  CYS   7           HB3      CYS   7   0.964   9.717 -10.426
   48    H    THR   8           H        THR   8   2.681  10.818  -8.674
   49    HA   THR   8           HA       THR   8   4.343  12.760 -10.166
   50    HB   THR   8           HB       THR   8   3.700  14.382  -8.509
   51    HG1  THR   8           HG1      THR   8   2.283  12.266  -7.243
   52   HG21  THR   8          HG21      THR   8   1.274  12.741  -9.341
   53   HG22  THR   8          HG22      THR   8   2.149  13.890 -10.380
   54   HG23  THR   8          HG23      THR   8   1.313  14.468  -8.923
   55    H    SER   9           H        SER   9   4.693  10.643  -7.429
   56    HA   SER   9           HA       SER   9   7.596  11.283  -7.389
   57    HG   SER   9           HG       SER   9   5.120  10.127  -5.201
   58    HB2  SER   9           HB2      SER   9   7.757  11.058  -5.033
   59    HB3  SER   9           HB3      SER   9   6.526  12.280  -5.363
   60    H    ILE  10           H        ILE  10   7.459   8.939  -5.294
   61    HA   ILE  10           HA       ILE  10   7.172   6.711  -7.247
   62    HB   ILE  10           HB       ILE  10   9.156   5.628  -6.278
   63   HG12  ILE  10          HG12      ILE  10   9.750   8.299  -4.930
   64   HG13  ILE  10          HG13      ILE  10   9.264   6.815  -4.113
   65   HG21  ILE  10          HG21      ILE  10   9.855   8.293  -7.553
   66   HG22  ILE  10          HG22      ILE  10  10.790   6.781  -7.622
   67   HG23  ILE  10          HG23      ILE  10   9.223   6.868  -8.420
   68   HD11  ILE  10          HD11      ILE  10  11.644   7.075  -3.884
   69   HD12  ILE  10          HD12      ILE  10  11.339   5.700  -4.965
   70   HD13  ILE  10          HD13      ILE  10  11.864   7.270  -5.628
   71    H    CYS  11           H        CYS  11   6.865   4.624  -6.245
   72    HA   CYS  11           HA       CYS  11   6.199   4.637  -3.369
   73    HB2  CYS  11           HB2      CYS  11   4.024   3.632  -3.658
   74    HB3  CYS  11           HB3      CYS  11   4.082   5.170  -4.492
   75    H    SER  12           H        SER  12   6.038   2.595  -2.394
   76    HA   SER  12           HA       SER  12   7.942   0.693  -3.637
   77    HG   SER  12           HG       SER  12   7.191   0.748   0.363
   78    HB2  SER  12           HB2      SER  12   8.389  -0.110  -1.452
   79    HB3  SER  12           HB3      SER  12   8.355   1.651  -1.355
   80    H    LEU  13           H        LEU  13   7.673  -1.666  -3.389
   81    HA   LEU  13           HA       LEU  13   5.066  -2.629  -4.147
   82    HG   LEU  13           HG       LEU  13   8.177  -3.092  -5.083
   83    HB2  LEU  13           HB2      LEU  13   7.459  -4.119  -2.981
   84    HB3  LEU  13           HB3      LEU  13   6.070  -4.847  -3.750
   85   HD11  LEU  13          HD11      LEU  13   7.439  -6.019  -5.495
   86   HD12  LEU  13          HD12      LEU  13   8.842  -5.426  -4.590
   87   HD13  LEU  13          HD13      LEU  13   8.736  -5.122  -6.329
   88   HD21  LEU  13          HD21      LEU  13   7.012  -3.619  -7.240
   89   HD22  LEU  13          HD22      LEU  13   6.055  -2.574  -6.188
   90   HD23  LEU  13          HD23      LEU  13   5.659  -4.303  -6.314
   91    H    TYR  14           H        TYR  14   6.656  -2.321  -0.993
   92    HA   TYR  14           HA       TYR  14   4.613  -3.677   0.497
   93    HD1  TYR  14           HD1      TYR  14   5.311  -4.635   2.944
   94    HD2  TYR  14           HD2      TYR  14   5.675  -0.342   3.125
   95    HE1  TYR  14           HE1      TYR  14   4.366  -4.649   5.240
   96    HE2  TYR  14           HE2      TYR  14   4.727  -0.355   5.419
   97    HH   TYR  14           HH       TYR  14   3.898  -1.639   7.143
   98    HB2  TYR  14           HB2      TYR  14   6.869  -3.271   1.381
   99    HB3  TYR  14           HB3      TYR  14   6.632  -1.534   1.288
  100    H    GLN  15           H        GLN  15   4.862  -0.338  -0.671
  101    HA   GLN  15           HA       GLN  15   2.446   0.579   0.736
  102    HB2  GLN  15           HB2      GLN  15   4.092   1.704  -1.549
  103    HB3  GLN  15           HB3      GLN  15   2.603   2.465  -0.988
  104    HG2  GLN  15           HG2      GLN  15   3.477   2.875   1.196
  105    HG3  GLN  15           HG3      GLN  15   4.867   1.833   0.957
  106   HE21  GLN  15          HE21      GLN  15   5.423   4.341   1.878
  107   HE22  GLN  15          HE22      GLN  15   6.126   5.293   0.579
  108    H    LEU  16           H        LEU  16   3.127  -0.765  -2.560
  109    HA   LEU  16           HA       LEU  16   0.390  -0.690  -3.434
  110    HG   LEU  16           HG       LEU  16   3.392  -0.595  -4.876
  111    HB2  LEU  16           HB2      LEU  16   2.559  -2.722  -4.092
  112    HB3  LEU  16           HB3      LEU  16   1.048  -2.529  -4.953
  113   HD11  LEU  16          HD11      LEU  16   3.471  -1.036  -7.268
  114   HD12  LEU  16          HD12      LEU  16   2.040  -2.082  -7.155
  115   HD13  LEU  16          HD13      LEU  16   3.571  -2.551  -6.370
  116   HD21  LEU  16          HD21      LEU  16   1.391   0.819  -4.833
  117   HD22  LEU  16          HD22      LEU  16   0.690  -0.117  -6.177
  118   HD23  LEU  16          HD23      LEU  16   2.143   0.856  -6.423
  119    H    GLU  17           H        GLU  17   2.160  -3.131  -1.512
  120    HA   GLU  17           HA       GLU  17   0.034  -4.956  -1.212
  121    HB2  GLU  17           HB2      GLU  17   2.462  -5.344  -0.696
  122    HB3  GLU  17           HB3      GLU  17   2.236  -4.439   0.812
  123    HG2  GLU  17           HG2      GLU  17   0.521  -6.076   1.533
  124    HG3  GLU  17           HG3      GLU  17   0.700  -6.943   0.005
  125    H    ASN  18           H        ASN  18   0.855  -2.083   0.801
  126    HA   ASN  18           HA       ASN  18  -1.147  -2.425   2.793
  127    HB2  ASN  18           HB2      ASN  18   0.771  -0.882   2.951
  128    HB3  ASN  18           HB3      ASN  18   0.099   0.113   1.665
  129   HD21  ASN  18          HD21      ASN  18  -1.513   1.649   2.176
  130   HD22  ASN  18          HD22      ASN  18  -2.115   1.859   3.805
  131    H    TYR  19           H        TYR  19  -1.402  -1.268  -0.524
  132    HA   TYR  19           HA       TYR  19  -4.191  -0.338  -0.146
  133    HD1  TYR  19           HD2      TYR  19  -1.171   1.648  -0.419
  134    HD2  TYR  19           HD1      TYR  19  -5.164   1.996  -1.972
  135    HE1  TYR  19           HE2      TYR  19  -1.356   3.920   0.587
  136    HE2  TYR  19           HE1      TYR  19  -5.375   4.243  -0.960
  137    HH   TYR  19           HH       TYR  19  -2.693   5.764   0.896
  138    HB2  TYR  19           HB2      TYR  19  -2.065   0.074  -2.227
  139    HB3  TYR  19           HB3      TYR  19  -3.745   0.213  -2.698
  140    H    CYS  20           H        CYS  20  -2.917  -3.348  -0.573
  141    HA   CYS  20           HA       CYS  20  -4.880  -4.427  -2.448
  142    HB2  CYS  20           HB2      CYS  20  -3.358  -5.761  -0.190
  143    HB3  CYS  20           HB3      CYS  20  -4.309  -6.595  -1.421
  144    H    ASN  21           H        ASN  21  -6.708  -5.708  -1.930
  145    HA   ASN  21           HA       ASN  21  -8.408  -4.783   0.261
  146    HB2  ASN  21           HB2      ASN  21  -8.655  -7.049  -1.763
  147    HB3  ASN  21           HB3      ASN  21  -9.909  -6.627  -0.607
  148   HD21  ASN  21          HD21      ASN  21 -10.193  -6.686  -3.442
  149   HD22  ASN  21          HD22      ASN  21 -10.653  -5.039  -3.902
  150    HA   PHE   1           HA       PHE   1  15.538  -0.187  -5.272
  151    HD1  PHE   1           HD2      PHE   1  17.503  -1.758  -6.160
  152    HD2  PHE   1           HD1      PHE   1  18.400  -0.923  -2.014
  153    HE1  PHE   1           HE2      PHE   1  19.909  -1.562  -6.712
  154    HE2  PHE   1           HE1      PHE   1  20.805  -0.729  -2.576
  155    HZ   PHE   1           HZ       PHE   1  21.568  -1.049  -4.925
  156    H1   PHE   1           H1       PHE   1  16.914   1.158  -3.840
  157    H2   PHE   1           H2       PHE   1  15.839   1.016  -2.604
  158    H3   PHE   1           H3       PHE   1  15.415   1.801  -3.974
  159    HB2  PHE   1           HB2      PHE   1  16.188  -1.569  -2.632
  160    HB3  PHE   1           HB3      PHE   1  15.924  -2.371  -4.172
  161    H    VAL   2           H        VAL   2  13.797  -1.960  -5.223
  162    HA   VAL   2           HA       VAL   2  11.697  -2.633  -4.985
  163    HB   VAL   2           HB       VAL   2  11.688  -1.851  -2.050
  164   HG11  VAL   2          HG11      VAL   2  10.570  -4.052  -1.769
  165   HG12  VAL   2          HG12      VAL   2   9.673  -3.078  -2.923
  166   HG13  VAL   2          HG13      VAL   2  10.728  -4.370  -3.507
  167   HG21  VAL   2          HG21      VAL   2  13.274  -4.164  -3.263
  168   HG22  VAL   2          HG22      VAL   2  13.926  -2.801  -2.321
  169   HG23  VAL   2          HG23      VAL   2  12.905  -3.982  -1.532
  170    H    ASN   3           H        ASN   3  11.988   0.004  -5.796
  171    HA   ASN   3           HA       ASN   3   9.307   1.182  -5.286
  172    HB2  ASN   3           HB2      ASN   3  11.995   2.556  -4.815
  173    HB3  ASN   3           HB3      ASN   3  10.564   3.472  -5.252
  174   HD21  ASN   3          HD21      ASN   3  11.872   1.313  -2.678
  175   HD22  ASN   3          HD22      ASN   3  10.822   1.979  -1.445
  176    H    GLN   4           H        GLN   4   8.511   2.489  -6.919
  177    HA   GLN   4           HA       GLN   4  10.073   2.864  -9.426
  178    HB2  GLN   4           HB2      GLN   4   7.474   1.264  -9.197
  179    HB3  GLN   4           HB3      GLN   4   8.124   1.866 -10.719
  180    HG2  GLN   4           HG2      GLN   4  10.197   0.498 -10.344
  181    HG3  GLN   4           HG3      GLN   4   9.436  -0.194  -8.907
  182   HE21  GLN   4          HE21      GLN   4   7.353  -1.447  -9.236
  183   HE22  GLN   4          HE22      GLN   4   7.127  -2.221 -10.796
  184    H    HIS   5           H        HIS   5   9.010   4.286 -10.941
  185    HA   HIS   5           HA       HIS   5   6.811   6.028  -9.947
  186    HD1  HIS   5           HD1      HIS   5   7.452   8.735 -10.030
  187    HD2  HIS   5           HD2      HIS   5  10.589   7.092 -12.288
  188    HE1  HIS   5           HE1      HIS   5   9.381  10.361  -9.827
  189    HB2  HIS   5           HB2      HIS   5   8.323   5.902 -12.594
  190    HB3  HIS   5           HB3      HIS   5   6.946   6.943 -12.284
  191    H    LEU   6           H        LEU   6   4.746   5.471 -10.389
  192    HA   LEU   6           HA       LEU   6   4.056   3.501 -12.511
  193    HG   LEU   6           HG       LEU   6   5.582   2.144 -10.268
  194    HB2  LEU   6           HB2      LEU   6   3.434   3.266  -9.542
  195    HB3  LEU   6           HB3      LEU   6   2.584   2.347 -10.785
  196   HD11  LEU   6          HD11      LEU   6   3.292   0.384  -9.311
  197   HD12  LEU   6          HD12      LEU   6   4.343   1.388  -8.304
  198   HD13  LEU   6          HD13      LEU   6   5.025   0.000  -9.168
  199   HD21  LEU   6          HD21      LEU   6   3.664   0.394 -11.884
  200   HD22  LEU   6          HD22      LEU   6   5.383   0.046 -11.585
  201   HD23  LEU   6          HD23      LEU   6   4.923   1.441 -12.561
  202    H    CYS   7           H        CYS   7   2.349   4.180 -13.619
  203    HA   CYS   7           HA       CYS   7   0.347   6.056 -12.428
  204    HB2  CYS   7           HB2      CYS   7   1.684   6.260 -15.157
  205    HB3  CYS   7           HB3      CYS   7   0.422   7.326 -14.556
  206    H    GLY   8           H        GLY   8  -1.720   5.727 -13.153
  207    HA2  GLY   8           HA2      GLY   8  -3.559   4.832 -14.248
  208    HA3  GLY   8           HA3      GLY   8  -2.512   4.932 -15.660
  209    H    SER   9           H        SER   9  -2.508   3.139 -16.802
  210    HA   SER   9           HA       SER   9  -3.523   0.598 -15.961
  211    HG   SER   9           HG       SER   9  -1.726   1.567 -19.499
  212    HB2  SER   9           HB2      SER   9  -2.531  -0.148 -18.148
  213    HB3  SER   9           HB3      SER   9  -3.644   1.229 -18.252
  214    H    HIS  10           H        HIS  10  -0.168   1.858 -16.145
  215    HA   HIS  10           HA       HIS  10   1.110  -0.665 -15.556
  216    HD1  HIS  10           HD1      HIS  10   2.496   3.597 -17.122
  217    HD2  HIS  10           HD2      HIS  10   2.169  -0.529 -17.873
  218    HE1  HIS  10           HE1      HIS  10   2.663   3.314 -19.649
  219    HB2  HIS  10           HB2      HIS  10   2.107   2.161 -15.005
  220    HB3  HIS  10           HB3      HIS  10   3.090   0.709 -15.170
  221    H    LEU  11           H        LEU  11  -0.093   1.972 -13.462
  222    HA   LEU  11           HA       LEU  11   0.795   0.725 -10.992
  223    HG   LEU  11           HG       LEU  11  -1.709   1.883  -9.310
  224    HB2  LEU  11           HB2      LEU  11   0.340   3.147 -11.172
  225    HB3  LEU  11           HB3      LEU  11  -1.352   2.827 -11.540
  226   HD11  LEU  11          HD11      LEU  11   1.209   2.573  -8.753
  227   HD12  LEU  11          HD12      LEU  11   0.514   0.937  -8.778
  228   HD13  LEU  11          HD13      LEU  11   0.007   2.086  -7.539
  229   HD21  LEU  11          HD21      LEU  11  -2.012   4.294  -9.700
  230   HD22  LEU  11          HD22      LEU  11  -0.325   4.593  -9.246
  231   HD23  LEU  11          HD23      LEU  11  -1.477   3.973  -8.043
  232    H    VAL  12           H        VAL  12  -2.314   0.740 -12.760
  233    HA   VAL  12           HA       VAL  12  -3.770  -0.965 -11.025
  234    HB   VAL  12           HB       VAL  12  -3.918  -0.393 -13.981
  235   HG11  VAL  12          HG11      VAL  12  -6.072  -1.622 -14.144
  236   HG12  VAL  12          HG12      VAL  12  -4.685  -2.693 -13.967
  237   HG13  VAL  12          HG13      VAL  12  -5.744  -2.379 -12.575
  238   HG21  VAL  12          HG21      VAL  12  -4.713   1.297 -12.369
  239   HG22  VAL  12          HG22      VAL  12  -6.042   0.667 -13.348
  240   HG23  VAL  12          HG23      VAL  12  -5.836   0.117 -11.671
  241    H    GLU  13           H        GLU  13  -1.590  -1.899 -13.733
  242    HA   GLU  13           HA       GLU  13  -1.845  -4.729 -13.356
  243    HB2  GLU  13           HB2      GLU  13   0.240  -2.934 -14.634
  244    HB3  GLU  13           HB3      GLU  13   0.444  -4.673 -14.572
  245    HG2  GLU  13           HG2      GLU  13  -1.980  -3.314 -15.829
  246    HG3  GLU  13           HG3      GLU  13  -0.544  -3.790 -16.721
  247    H    ALA  14           H        ALA  14   0.567  -2.375 -12.009
  248    HA   ALA  14           HA       ALA  14   2.132  -4.352 -10.670
  249    HB1  ALA  14           HB1      ALA  14   3.063  -2.438  -9.463
  250    HB2  ALA  14           HB2      ALA  14   2.864  -2.028 -11.176
  251    HB3  ALA  14           HB3      ALA  14   1.704  -1.412  -9.976
  252    H    LEU  15           H        LEU  15  -0.616  -2.382  -9.451
  253    HA   LEU  15           HA       LEU  15  -0.766  -3.512  -6.820
  254    HG   LEU  15           HG       LEU  15  -1.021  -0.811  -7.508
  255    HB2  LEU  15           HB2      LEU  15  -2.828  -2.280  -8.697
  256    HB3  LEU  15           HB3      LEU  15  -3.231  -2.840  -7.074
  257   HD11  LEU  15          HD11      LEU  15  -3.129   0.069  -8.495
  258   HD12  LEU  15          HD12      LEU  15  -2.601   0.971  -7.064
  259   HD13  LEU  15          HD13      LEU  15  -3.938  -0.182  -6.930
  260   HD21  LEU  15          HD21      LEU  15  -1.144  -1.965  -5.281
  261   HD22  LEU  15          HD22      LEU  15  -2.831  -1.458  -5.115
  262   HD23  LEU  15          HD23      LEU  15  -1.544  -0.243  -5.135
  263    H    TYR  16           H        TYR  16  -2.507  -4.534  -9.841
  264    HA   TYR  16           HA       TYR  16  -3.749  -6.803  -8.717
  265    HD1  TYR  16           HD2      TYR  16  -5.832  -7.824 -10.031
  266    HD2  TYR  16           HD1      TYR  16  -2.355  -8.464 -12.504
  267    HE1  TYR  16           HE2      TYR  16  -6.664 -10.102 -10.606
  268    HE2  TYR  16           HE1      TYR  16  -3.180 -10.737 -13.079
  269    HH   TYR  16           HH       TYR  16  -6.264 -12.043 -11.770
  270    HB2  TYR  16           HB2      TYR  16  -4.326  -5.905 -10.913
  271    HB3  TYR  16           HB3      TYR  16  -2.742  -6.321 -11.548
  272    H    LEU  17           H        LEU  17  -0.453  -6.557 -10.074
  273    HA   LEU  17           HA       LEU  17   0.139  -9.371  -9.727
  274    HG   LEU  17           HG       LEU  17   0.433  -7.828 -12.141
  275    HB2  LEU  17           HB2      LEU  17   1.855  -6.904 -10.192
  276    HB3  LEU  17           HB3      LEU  17   2.555  -8.508 -10.050
  277   HD11  LEU  17          HD11      LEU  17   2.314  -7.664 -13.742
  278   HD12  LEU  17          HD12      LEU  17   3.473  -7.863 -12.405
  279   HD13  LEU  17          HD13      LEU  17   2.438  -6.422 -12.484
  280   HD21  LEU  17          HD21      LEU  17   1.300  -9.856 -13.265
  281   HD22  LEU  17          HD22      LEU  17   0.628 -10.239 -11.676
  282   HD23  LEU  17          HD23      LEU  17   2.391 -10.155 -11.895
  283    H    VAL  18           H        VAL  18   0.672  -6.585  -7.611
  284    HA   VAL  18           HA       VAL  18   2.110  -8.163  -5.608
  285    HB   VAL  18           HB       VAL  18   0.799  -5.423  -5.469
  286   HG11  VAL  18          HG11      VAL  18   2.409  -6.844  -3.301
  287   HG12  VAL  18          HG12      VAL  18   2.034  -5.108  -3.319
  288   HG13  VAL  18          HG13      VAL  18   0.730  -6.284  -3.179
  289   HG21  VAL  18          HG21      VAL  18   3.726  -6.328  -5.438
  290   HG22  VAL  18          HG22      VAL  18   2.898  -5.627  -6.837
  291   HG23  VAL  18          HG23      VAL  18   3.158  -4.654  -5.384
  292    H    CYS  19           H        CYS  19  -1.307  -7.237  -6.060
  293    HA   CYS  19           HA       CYS  19  -2.094  -8.389  -3.472
  294    HB2  CYS  19           HB2      CYS  19  -3.773  -7.189  -5.705
  295    HB3  CYS  19           HB3      CYS  19  -4.298  -7.512  -4.052
  296    H    GLY  20           H        GLY  20  -2.109  -9.534  -6.775
  297    HA2  GLY  20           HA2      GLY  20  -2.799 -11.544  -7.708
  298    HA3  GLY  20           HA3      GLY  20  -3.084 -12.168  -6.066
  299    H    GLU  21           H        GLU  21  -5.013 -13.143  -6.535
  300    HA   GLU  21           HA       GLU  21  -7.199 -11.969  -7.951
  301    HB2  GLU  21           HB2      GLU  21  -7.113 -14.291  -5.980
  302    HB3  GLU  21           HB3      GLU  21  -8.502 -13.881  -6.993
  303    HG2  GLU  21           HG2      GLU  21  -7.130 -14.191  -9.040
  304    HG3  GLU  21           HG3      GLU  21  -5.757 -14.679  -8.043
  305    H    ARG  22           H        ARG  22  -6.161 -11.269  -4.737
  306    HA   ARG  22           HA       ARG  22  -8.654 -10.811  -3.426
  307    HE   ARG  22           HE       ARG  22  -6.109  -9.211   0.216
  308    HB2  ARG  22           HB2      ARG  22  -5.975  -9.419  -3.031
  309    HB3  ARG  22           HB3      ARG  22  -7.337  -9.366  -1.916
  310    HG2  ARG  22           HG2      ARG  22  -7.177 -11.834  -1.584
  311    HG3  ARG  22           HG3      ARG  22  -5.784 -11.879  -2.675
  312    HD2  ARG  22           HD2      ARG  22  -4.935 -11.872  -0.433
  313    HD3  ARG  22           HD3      ARG  22  -4.557 -10.320  -1.177
  314   HH11  ARG  22          HH11      ARG  22  -6.239 -12.686   0.984
  315   HH12  ARG  22          HH12      ARG  22  -7.166 -12.387   2.423
  316   HH21  ARG  22          HH21      ARG  22  -7.251  -8.924   1.937
  317   HH22  ARG  22          HH22      ARG  22  -7.737 -10.243   2.997
  318    H    GLY  23           H        GLY  23  -6.802  -8.796  -5.665
  319    HA2  GLY  23           HA2      GLY  23  -7.351  -6.783  -6.736
  320    HA3  GLY  23           HA3      GLY  23  -8.905  -6.761  -5.895
  321    H    PHE  24           H        PHE  24  -8.265  -4.445  -5.866
  322    HA   PHE  24           HA       PHE  24  -6.866  -3.618  -3.398
  323    HD1  PHE  24           HD2      PHE  24  -6.415  -0.722  -6.409
  324    HD2  PHE  24           HD1      PHE  24  -5.421  -4.839  -7.248
  325    HE1  PHE  24           HE2      PHE  24  -6.698  -0.299  -8.834
  326    HE2  PHE  24           HE1      PHE  24  -5.688  -4.397  -9.679
  327    HZ   PHE  24           HZ       PHE  24  -6.331  -2.129 -10.464
  328    HB2  PHE  24           HB2      PHE  24  -5.295  -2.205  -4.708
  329    HB3  PHE  24           HB3      PHE  24  -5.060  -3.904  -5.034
  330    H    PHE  25           H        PHE  25  -6.775  -1.263  -3.214
  331    HA   PHE  25           HA       PHE  25  -9.041   0.160  -4.511
  332    HD1  PHE  25           HD1      PHE  25  -7.892  -1.615  -0.912
  333    HD2  PHE  25           HD2      PHE  25  -8.013   2.693  -1.132
  334    HE1  PHE  25           HE1      PHE  25  -6.524  -1.467   1.145
  335    HE2  PHE  25           HE2      PHE  25  -6.666   2.829   0.953
  336    HZ   PHE  25           HZ       PHE  25  -5.905   0.749   2.084
  337    HB2  PHE  25           HB2      PHE  25  -9.496   1.371  -2.495
  338    HB3  PHE  25           HB3      PHE  25  -9.642  -0.357  -2.239
  339    H    TYR  26           H        TYR  26  -8.729   2.503  -4.644
  340    HA   TYR  26           HA       TYR  26  -5.978   2.980  -5.725
  341    HD1  TYR  26           HD1      TYR  26  -5.097   1.731  -7.996
  342    HD2  TYR  26           HD2      TYR  26  -8.343   4.344  -9.068
  343    HE1  TYR  26           HE1      TYR  26  -3.883   2.382 -10.081
  344    HE2  TYR  26           HE2      TYR  26  -7.125   5.028 -11.127
  345    HH   TYR  26           HH       TYR  26  -5.214   4.787 -12.380
  346    HB2  TYR  26           HB2      TYR  26  -7.470   1.480  -7.098
  347    HB3  TYR  26           HB3      TYR  26  -8.598   2.808  -7.255
  348    H    THR  27           H        THR  27  -6.303   4.623  -3.886
  349    HA   THR  27           HA       THR  27  -8.162   6.751  -4.235
  350    HB   THR  27           HB       THR  27  -6.932   7.889  -2.380
  351    HG1  THR  27           HG1      THR  27  -5.388   6.433  -1.346
  352   HG21  THR  27          HG21      THR  27  -8.769   6.273  -1.950
  353   HG22  THR  27          HG22      THR  27  -7.519   6.206  -0.689
  354   HG23  THR  27          HG23      THR  27  -7.596   4.936  -1.925
  355    HA   PRO  28           HA       PRO  28  -5.659   9.432  -6.924
  356    HB2  PRO  28           HB2      PRO  28  -7.424  11.396  -7.363
  357    HB3  PRO  28           HB3      PRO  28  -7.765   9.734  -7.906
  358    HG2  PRO  28           HG2      PRO  28  -8.736  11.058  -5.340
  359    HG3  PRO  28           HG3      PRO  28  -9.708  10.200  -6.588
  360    HD2  PRO  28           HD2      PRO  28  -8.762   8.974  -4.308
  361    HD3  PRO  28           HD3      PRO  28  -8.973   8.114  -5.870
  362    H    LYS  29           H        LYS  29  -6.741  12.373  -5.939
  363    HA   LYS  29           HA       LYS  29  -4.434  12.889  -4.243
  364    HB2  LYS  29           HB2      LYS  29  -5.525  14.456  -5.933
  365    HB3  LYS  29           HB3      LYS  29  -6.850  14.645  -4.783
  366    HG2  LYS  29           HG2      LYS  29  -5.015  15.361  -3.060
  367    HG3  LYS  29           HG3      LYS  29  -3.912  15.398  -4.424
  368    HD2  LYS  29           HD2      LYS  29  -4.656  17.637  -4.078
  369    HD3  LYS  29           HD3      LYS  29  -5.439  17.058  -5.545
  370    HE2  LYS  29           HE2      LYS  29  -7.074  18.277  -4.293
  371    HE3  LYS  29           HE3      LYS  29  -7.521  16.574  -4.187
  372    HZ1  LYS  29           HZ1      LYS  29  -6.559  16.517  -1.940
  373    HZ2  LYS  29           HZ2      LYS  29  -7.658  17.717  -2.037
  374    HZ3  LYS  29           HZ3      LYS  29  -6.071  18.080  -2.071
  375    H    THR  30           H        THR  30  -4.326  13.052  -2.069
  376    HA   THR  30           HA       THR  30  -6.261  12.000  -0.251
  377    HB   THR  30           HB       THR  30  -4.000  13.945   0.316
  378    HG1  THR  30           HG1      THR  30  -2.731  12.165   0.465
  379   HG21  THR  30          HG21      THR  30  -5.347  11.814   2.048
  380   HG22  THR  30          HG22      THR  30  -5.448  13.579   2.283
  381   HG23  THR  30          HG23      THR  30  -3.907  12.749   2.501
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -4.466  10.970  -2.455
    2    H2   GLY   1           H2       GLY   1  -4.506  10.365  -0.932
    3    H3   GLY   1           H3       GLY   1  -5.910  10.622  -1.763
    4    HA2  GLY   1           HA2      GLY   1  -5.287   8.245  -1.655
    5    HA3  GLY   1           HA3      GLY   1  -5.456   8.890  -3.292
    6    H    ILE   2           H        ILE   2  -4.121   7.000  -3.837
    7    HA   ILE   2           HA       ILE   2  -1.262   7.126  -3.057
    8    HB   ILE   2           HB       ILE   2  -1.019   5.052  -4.340
    9   HG12  ILE   2          HG12      ILE   2  -4.026   5.190  -4.830
   10   HG13  ILE   2          HG13      ILE   2  -2.801   5.465  -6.065
   11   HG21  ILE   2          HG21      ILE   2  -3.357   4.950  -2.386
   12   HG22  ILE   2          HG22      ILE   2  -2.189   3.665  -2.752
   13   HG23  ILE   2          HG23      ILE   2  -1.654   5.132  -1.927
   14   HD11  ILE   2          HD11      ILE   2  -3.359   2.866  -4.596
   15   HD12  ILE   2          HD12      ILE   2  -3.590   3.243  -6.315
   16   HD13  ILE   2          HD13      ILE   2  -1.945   3.131  -5.651
   17    H    VAL   3           H        VAL   3  -3.092   7.916  -5.990
   18    HA   VAL   3           HA       VAL   3  -0.934   7.874  -7.806
   19    HB   VAL   3           HB       VAL   3  -3.430   9.552  -7.748
   20   HG11  VAL   3          HG11      VAL   3  -3.091  10.104 -10.139
   21   HG12  VAL   3          HG12      VAL   3  -1.896  10.889  -9.110
   22   HG13  VAL   3          HG13      VAL   3  -1.445   9.452 -10.057
   23   HG21  VAL   3          HG21      VAL   3  -4.169   8.007  -9.509
   24   HG22  VAL   3          HG22      VAL   3  -2.570   7.248  -9.568
   25   HG23  VAL   3          HG23      VAL   3  -3.597   7.051  -8.135
   26    H    GLU   4           H        GLU   4  -1.830  10.527  -5.571
   27    HA   GLU   4           HA       GLU   4   0.093  12.388  -6.613
   28    HB2  GLU   4           HB2      GLU   4  -0.444  13.751  -4.704
   29    HB3  GLU   4           HB3      GLU   4  -1.921  12.997  -5.294
   30    HG2  GLU   4           HG2      GLU   4  -1.541  11.185  -3.500
   31    HG3  GLU   4           HG3      GLU   4  -0.304  12.244  -2.823
   32    H    GLN   5           H        GLN   5   0.707   9.541  -4.875
   33    HA   GLN   5           HA       GLN   5   3.401  10.531  -4.014
   34    HB2  GLN   5           HB2      GLN   5   2.079   9.382  -2.249
   35    HB3  GLN   5           HB3      GLN   5   1.869   7.984  -3.298
   36    HG2  GLN   5           HG2      GLN   5   3.625   7.560  -1.647
   37    HG3  GLN   5           HG3      GLN   5   4.282   7.537  -3.274
   38   HE21  GLN   5          HE21      GLN   5   6.325   8.483  -3.304
   39   HE22  GLN   5          HE22      GLN   5   6.773   9.875  -2.314
   40    H    CYS   6           H        CYS   6   1.786   7.753  -5.675
   41    HA   CYS   6           HA       CYS   6   4.244   6.659  -6.632
   42    HB2  CYS   6           HB2      CYS   6   1.335   6.295  -7.433
   43    HB3  CYS   6           HB3      CYS   6   2.646   5.332  -8.093
   44    H    CYS   7           H        CYS   7   2.210   9.107  -8.107
   45    HA   CYS   7           HA       CYS   7   3.141   8.438 -10.833
   46    HB2  CYS   7           HB2      CYS   7   0.781   8.993 -10.213
   47    HB3  CYS   7           HB3      CYS   7   1.279  10.654  -9.921
   48    H    THR   8           H        THR   8   3.421  11.250  -8.642
   49    HA   THR   8           HA       THR   8   5.167  12.745 -10.495
   50    HB   THR   8           HB       THR   8   5.050  14.441  -8.606
   51    HG1  THR   8           HG1      THR   8   3.406  14.025  -7.063
   52   HG21  THR   8          HG21      THR   8   2.736  15.104  -9.107
   53   HG22  THR   8          HG22      THR   8   2.386  13.497  -9.771
   54   HG23  THR   8          HG23      THR   8   3.553  14.564 -10.581
   55    H    SER   9           H        SER   9   5.343  11.588  -7.141
   56    HA   SER   9           HA       SER   9   8.325  11.350  -7.282
   57    HG   SER   9           HG       SER   9   8.582  11.367  -3.890
   58    HB2  SER   9           HB2      SER   9   7.170  12.364  -5.281
   59    HB3  SER   9           HB3      SER   9   6.485  10.769  -4.949
   60    H    ILE  10           H        ILE  10   8.465   9.075  -5.603
   61    HA   ILE  10           HA       ILE  10   7.587   6.889  -7.461
   62    HB   ILE  10           HB       ILE  10   9.456   5.554  -6.591
   63   HG12  ILE  10          HG12      ILE  10  11.441   6.685  -5.606
   64   HG13  ILE  10          HG13      ILE  10  10.476   8.118  -5.275
   65   HG21  ILE  10          HG21      ILE  10  10.353   8.159  -7.858
   66   HG22  ILE  10          HG22      ILE  10  11.161   6.583  -7.959
   67   HG23  ILE  10          HG23      ILE  10   9.573   6.817  -8.714
   68   HD11  ILE  10          HD11      ILE  10   9.199   6.943  -3.602
   69   HD12  ILE  10          HD12      ILE  10   9.820   5.362  -4.147
   70   HD13  ILE  10          HD13      ILE  10  10.888   6.521  -3.332
   71    H    CYS  11           H        CYS  11   7.205   4.762  -6.437
   72    HA   CYS  11           HA       CYS  11   6.755   4.770  -3.551
   73    HB2  CYS  11           HB2      CYS  11   4.476   4.040  -3.570
   74    HB3  CYS  11           HB3      CYS  11   4.597   5.552  -4.450
   75    H    SER  12           H        SER  12   6.345   2.613  -2.673
   76    HA   SER  12           HA       SER  12   8.075   0.645  -4.111
   77    HG   SER  12           HG       SER  12   9.497   1.784  -0.960
   78    HB2  SER  12           HB2      SER  12   7.434   0.787  -1.157
   79    HB3  SER  12           HB3      SER  12   8.697  -0.163  -1.950
   80    H    LEU  13           H        LEU  13   7.612  -1.658  -3.965
   81    HA   LEU  13           HA       LEU  13   4.861  -2.341  -4.363
   82    HG   LEU  13           HG       LEU  13   7.895  -3.082  -5.663
   83    HB2  LEU  13           HB2      LEU  13   7.204  -4.151  -3.635
   84    HB3  LEU  13           HB3      LEU  13   5.673  -4.649  -4.310
   85   HD11  LEU  13          HD11      LEU  13   8.095  -5.558  -5.551
   86   HD12  LEU  13          HD12      LEU  13   7.903  -4.988  -7.218
   87   HD13  LEU  13          HD13      LEU  13   6.525  -5.719  -6.365
   88   HD21  LEU  13          HD21      LEU  13   6.532  -2.999  -7.726
   89   HD22  LEU  13          HD22      LEU  13   5.827  -2.014  -6.444
   90   HD23  LEU  13          HD23      LEU  13   5.124  -3.603  -6.835
   91    H    TYR  14           H        TYR  14   6.898  -2.500  -1.464
   92    HA   TYR  14           HA       TYR  14   5.083  -3.778   0.279
   93    HD1  TYR  14           HD1      TYR  14   6.693  -5.226   1.512
   94    HD2  TYR  14           HD2      TYR  14   9.249  -1.980   0.266
   95    HE1  TYR  14           HE1      TYR  14   8.609  -6.797   1.356
   96    HE2  TYR  14           HE2      TYR  14  11.178  -3.546   0.129
   97    HH   TYR  14           HH       TYR  14  10.861  -7.037   0.926
   98    HB2  TYR  14           HB2      TYR  14   7.043  -1.515   0.865
   99    HB3  TYR  14           HB3      TYR  14   6.330  -2.578   2.058
  100    H    GLN  15           H        GLN  15   5.112  -0.465  -0.891
  101    HA   GLN  15           HA       GLN  15   3.045   0.480   1.012
  102    HB2  GLN  15           HB2      GLN  15   4.330   1.867  -1.380
  103    HB3  GLN  15           HB3      GLN  15   3.201   2.598  -0.263
  104    HG2  GLN  15           HG2      GLN  15   5.970   1.547   0.472
  105    HG3  GLN  15           HG3      GLN  15   5.528   3.234   0.248
  106   HE21  GLN  15          HE21      GLN  15   3.846   4.152   1.824
  107   HE22  GLN  15          HE22      GLN  15   3.800   3.440   3.432
  108    H    LEU  16           H        LEU  16   3.262  -0.615  -2.407
  109    HA   LEU  16           HA       LEU  16   0.467  -0.179  -2.991
  110    HG   LEU  16           HG       LEU  16   3.270  -0.089  -4.689
  111    HB2  LEU  16           HB2      LEU  16   2.391  -2.285  -4.063
  112    HB3  LEU  16           HB3      LEU  16   0.825  -1.896  -4.742
  113   HD11  LEU  16          HD11      LEU  16   3.273  -1.932  -6.341
  114   HD12  LEU  16          HD12      LEU  16   3.160  -0.341  -7.110
  115   HD13  LEU  16          HD13      LEU  16   1.715  -1.361  -6.978
  116   HD21  LEU  16          HD21      LEU  16   0.478   0.528  -5.738
  117   HD22  LEU  16          HD22      LEU  16   1.935   1.497  -6.048
  118   HD23  LEU  16          HD23      LEU  16   1.311   1.355  -4.401
  119    H    GLU  17           H        GLU  17   2.177  -2.925  -1.456
  120    HA   GLU  17           HA       GLU  17  -0.035  -4.638  -1.304
  121    HB2  GLU  17           HB2      GLU  17   2.318  -5.285  -0.918
  122    HB3  GLU  17           HB3      GLU  17   2.268  -4.500   0.670
  123    HG2  GLU  17           HG2      GLU  17   0.634  -6.060   1.491
  124    HG3  GLU  17           HG3      GLU  17   0.274  -6.644  -0.138
  125    H    ASN  18           H        ASN  18   0.669  -1.855   0.745
  126    HA   ASN  18           HA       ASN  18  -1.089  -2.384   2.923
  127    HB2  ASN  18           HB2      ASN  18   0.606  -0.559   2.825
  128    HB3  ASN  18           HB3      ASN  18  -0.365   0.262   1.595
  129   HD21  ASN  18          HD21      ASN  18  -2.012   1.643   2.263
  130   HD22  ASN  18          HD22      ASN  18  -2.498   1.805   3.942
  131    H    TYR  19           H        TYR  19  -1.816  -1.558  -0.413
  132    HA   TYR  19           HA       TYR  19  -4.653  -0.906   0.190
  133    HD1  TYR  19           HD1      TYR  19  -1.363   1.030  -0.770
  134    HD2  TYR  19           HD2      TYR  19  -5.612   1.687  -0.910
  135    HE1  TYR  19           HE1      TYR  19  -1.054   3.197   0.424
  136    HE2  TYR  19           HE2      TYR  19  -5.315   3.872   0.244
  137    HH   TYR  19           HH       TYR  19  -3.836   5.323   1.237
  138    HB2  TYR  19           HB2      TYR  19  -2.829  -0.385  -2.186
  139    HB3  TYR  19           HB3      TYR  19  -4.557  -0.116  -2.206
  140    H    CYS  20           H        CYS  20  -3.078  -3.706  -0.273
  141    HA   CYS  20           HA       CYS  20  -4.889  -5.017  -2.155
  142    HB2  CYS  20           HB2      CYS  20  -3.341  -6.205   0.166
  143    HB3  CYS  20           HB3      CYS  20  -4.171  -7.101  -1.107
  144    H    ASN  21           H        ASN  21  -6.695  -6.220  -1.736
  145    HA   ASN  21           HA       ASN  21  -8.474  -5.325   0.411
  146    HB2  ASN  21           HB2      ASN  21  -9.452  -5.529  -1.739
  147    HB3  ASN  21           HB3      ASN  21  -8.717  -7.094  -2.027
  148   HD21  ASN  21          HD21      ASN  21  -9.729  -8.955  -1.394
  149   HD22  ASN  21          HD22      ASN  21 -11.313  -8.954  -0.607
  150    HA   PHE   1           HA       PHE   1  12.106  -4.134  -2.034
  151    HD1  PHE   1           HD1      PHE   1  14.223  -3.220  -1.399
  152    HD2  PHE   1           HD2      PHE   1  15.020  -4.564  -5.431
  153    HE1  PHE   1           HE1      PHE   1  15.665  -1.232  -1.783
  154    HE2  PHE   1           HE2      PHE   1  16.460  -2.574  -5.803
  155    HZ   PHE   1           HZ       PHE   1  16.781  -0.910  -3.986
  156    H1   PHE   1           H1       PHE   1  11.320  -6.705  -3.229
  157    H2   PHE   1           H2       PHE   1  10.384  -5.779  -2.255
  158    H3   PHE   1           H3       PHE   1  11.755  -6.450  -1.666
  159    HB2  PHE   1           HB2      PHE   1  13.956  -5.791  -2.361
  160    HB3  PHE   1           HB3      PHE   1  13.579  -5.832  -4.080
  161    H    VAL   2           H        VAL   2  12.943  -2.878  -4.405
  162    HA   VAL   2           HA       VAL   2  12.475  -1.972  -6.352
  163    HB   VAL   2           HB       VAL   2   9.939  -3.625  -6.629
  164   HG11  VAL   2          HG11      VAL   2  11.434  -1.880  -8.617
  165   HG12  VAL   2          HG12      VAL   2  10.110  -2.994  -9.023
  166   HG13  VAL   2          HG13      VAL   2   9.790  -1.610  -7.989
  167   HG21  VAL   2          HG21      VAL   2  12.728  -3.990  -7.821
  168   HG22  VAL   2          HG22      VAL   2  11.965  -5.060  -6.624
  169   HG23  VAL   2          HG23      VAL   2  11.285  -4.941  -8.247
  170    H    ASN   3           H        ASN   3  11.947   0.009  -6.576
  171    HA   ASN   3           HA       ASN   3   9.302   0.990  -5.872
  172    HB2  ASN   3           HB2      ASN   3  10.014   2.894  -4.615
  173    HB3  ASN   3           HB3      ASN   3  10.688   1.460  -3.853
  174   HD21  ASN   3          HD21      ASN   3  13.044   1.044  -4.114
  175   HD22  ASN   3          HD22      ASN   3  14.098   2.375  -4.536
  176    H    GLN   4           H        GLN   4   8.575   2.624  -7.176
  177    HA   GLN   4           HA       GLN   4  10.237   3.477  -9.498
  178    HB2  GLN   4           HB2      GLN   4   7.918   1.472  -9.579
  179    HB3  GLN   4           HB3      GLN   4   8.504   2.311 -11.003
  180    HG2  GLN   4           HG2      GLN   4  10.167   0.363  -9.342
  181    HG3  GLN   4           HG3      GLN   4   9.366   0.020 -10.859
  182   HE21  GLN   4          HE21      GLN   4  12.066  -0.483 -10.770
  183   HE22  GLN   4          HE22      GLN   4  12.912   0.742 -11.701
  184    H    HIS   5           H        HIS   5   8.982   4.749 -11.081
  185    HA   HIS   5           HA       HIS   5   6.763   6.350  -9.927
  186    HD1  HIS   5           HD1      HIS   5   7.659   9.093  -9.901
  187    HD2  HIS   5           HD2      HIS   5  10.472   7.255 -12.436
  188    HE1  HIS   5           HE1      HIS   5   9.808  10.442  -9.676
  189    HB2  HIS   5           HB2      HIS   5   8.055   6.379 -12.684
  190    HB3  HIS   5           HB3      HIS   5   6.791   7.465 -12.127
  191    H    LEU   6           H        LEU   6   4.692   5.824 -10.278
  192    HA   LEU   6           HA       LEU   6   3.846   3.910 -12.386
  193    HG   LEU   6           HG       LEU   6   5.562   2.447 -10.367
  194    HB2  LEU   6           HB2      LEU   6   3.536   3.590  -9.369
  195    HB3  LEU   6           HB3      LEU   6   2.527   2.714 -10.521
  196   HD11  LEU   6          HD11      LEU   6   5.091   0.286  -9.265
  197   HD12  LEU   6          HD12      LEU   6   3.361   0.691  -9.234
  198   HD13  LEU   6          HD13      LEU   6   4.524   1.662  -8.304
  199   HD21  LEU   6          HD21      LEU   6   3.438   0.800 -11.830
  200   HD22  LEU   6          HD22      LEU   6   5.158   0.391 -11.719
  201   HD23  LEU   6          HD23      LEU   6   4.656   1.843 -12.593
  202    H    CYS   7           H        CYS   7   1.884   4.473 -13.229
  203    HA   CYS   7           HA       CYS   7   0.020   6.151 -11.692
  204    HB2  CYS   7           HB2      CYS   7   1.904   7.549 -12.823
  205    HB3  CYS   7           HB3      CYS   7   1.040   7.246 -14.322
  206    H    GLY   8           H        GLY   8  -1.979   6.416 -12.667
  207    HA2  GLY   8           HA2      GLY   8  -3.919   5.539 -13.641
  208    HA3  GLY   8           HA3      GLY   8  -2.950   5.623 -15.108
  209    H    SER   9           H        SER   9  -3.203   3.845 -16.241
  210    HA   SER   9           HA       SER   9  -4.110   1.325 -15.341
  211    HG   SER   9           HG       SER   9  -5.304   1.996 -17.639
  212    HB2  SER   9           HB2      SER   9  -2.450   1.922 -17.816
  213    HB3  SER   9           HB3      SER   9  -3.561   0.566 -17.590
  214    H    HIS  10           H        HIS  10  -0.773   2.577 -15.570
  215    HA   HIS  10           HA       HIS  10   0.478  -0.051 -15.286
  216    HD1  HIS  10           HD1      HIS  10   2.448  -0.067 -17.451
  217    HD2  HIS  10           HD2      HIS  10   1.019   3.884 -17.258
  218    HE1  HIS  10           HE1      HIS  10   2.304   0.756 -19.857
  219    HB2  HIS  10           HB2      HIS  10   1.567   2.774 -14.944
  220    HB3  HIS  10           HB3      HIS  10   2.537   1.308 -14.968
  221    H    LEU  11           H        LEU  11  -0.495   2.565 -13.044
  222    HA   LEU  11           HA       LEU  11   0.604   1.277 -10.686
  223    HG   LEU  11           HG       LEU  11  -1.782   2.548  -8.772
  224    HB2  LEU  11           HB2      LEU  11   0.167   3.673 -10.807
  225    HB3  LEU  11           HB3      LEU  11  -1.552   3.402 -11.050
  226   HD11  LEU  11          HD11      LEU  11   0.089   2.625  -7.164
  227   HD12  LEU  11          HD12      LEU  11   1.218   3.026  -8.470
  228   HD13  LEU  11          HD13      LEU  11   0.407   1.443  -8.434
  229   HD21  LEU  11          HD21      LEU  11  -0.192   5.152  -8.942
  230   HD22  LEU  11          HD22      LEU  11  -1.169   4.651  -7.551
  231   HD23  LEU  11          HD23      LEU  11  -1.950   4.972  -9.103
  232    H    VAL  12           H        VAL  12  -2.642   1.323 -12.214
  233    HA   VAL  12           HA       VAL  12  -3.919  -0.497 -10.438
  234    HB   VAL  12           HB       VAL  12  -4.356   0.083 -13.382
  235   HG11  VAL  12          HG11      VAL  12  -5.263  -2.183 -13.046
  236   HG12  VAL  12          HG12      VAL  12  -6.134  -1.633 -11.596
  237   HG13  VAL  12          HG13      VAL  12  -6.573  -1.012 -13.196
  238   HG21  VAL  12          HG21      VAL  12  -6.328   1.306 -12.561
  239   HG22  VAL  12          HG22      VAL  12  -5.967   0.815 -10.892
  240   HG23  VAL  12          HG23      VAL  12  -4.873   1.910 -11.760
  241    H    GLU  13           H        GLU  13  -1.937  -1.207 -13.345
  242    HA   GLU  13           HA       GLU  13  -2.145  -4.057 -13.188
  243    HB2  GLU  13           HB2      GLU  13  -1.379  -2.747 -15.149
  244    HB3  GLU  13           HB3      GLU  13   0.117  -2.343 -14.309
  245    HG2  GLU  13           HG2      GLU  13   0.752  -4.715 -14.236
  246    HG3  GLU  13           HG3      GLU  13  -0.806  -5.185 -14.929
  247    H    ALA  14           H        ALA  14   0.334  -1.817 -11.822
  248    HA   ALA  14           HA       ALA  14   1.954  -3.834 -10.620
  249    HB1  ALA  14           HB1      ALA  14   1.489  -0.948  -9.747
  250    HB2  ALA  14           HB2      ALA  14   2.866  -1.972  -9.292
  251    HB3  ALA  14           HB3      ALA  14   2.645  -1.482 -10.983
  252    H    LEU  15           H        LEU  15  -0.815  -2.014  -9.217
  253    HA   LEU  15           HA       LEU  15  -0.907  -3.284  -6.662
  254    HG   LEU  15           HG       LEU  15  -1.269  -0.598  -7.241
  255    HB2  LEU  15           HB2      LEU  15  -3.037  -2.104  -8.489
  256    HB3  LEU  15           HB3      LEU  15  -3.405  -2.720  -6.884
  257   HD11  LEU  15          HD11      LEU  15  -3.300   0.260  -8.348
  258   HD12  LEU  15          HD12      LEU  15  -3.017   1.090  -6.817
  259   HD13  LEU  15          HD13      LEU  15  -4.272  -0.166  -6.935
  260   HD21  LEU  15          HD21      LEU  15  -3.154  -1.265  -4.927
  261   HD22  LEU  15          HD22      LEU  15  -1.853  -0.060  -4.920
  262   HD23  LEU  15          HD23      LEU  15  -1.465  -1.787  -5.038
  263    H    TYR  16           H        TYR  16  -2.612  -4.239  -9.710
  264    HA   TYR  16           HA       TYR  16  -3.743  -6.630  -8.726
  265    HD1  TYR  16           HD1      TYR  16  -5.564  -7.952 -10.045
  266    HD2  TYR  16           HD2      TYR  16  -2.258  -7.717 -12.800
  267    HE1  TYR  16           HE1      TYR  16  -6.109 -10.228 -10.890
  268    HE2  TYR  16           HE2      TYR  16  -2.796  -9.996 -13.649
  269    HH   TYR  16           HH       TYR  16  -5.555 -11.901 -12.363
  270    HB2  TYR  16           HB2      TYR  16  -4.413  -5.673 -10.848
  271    HB3  TYR  16           HB3      TYR  16  -2.799  -5.839 -11.498
  272    H    LEU  17           H        LEU  17  -0.485  -6.153 -10.103
  273    HA   LEU  17           HA       LEU  17   0.199  -8.974  -9.891
  274    HG   LEU  17           HG       LEU  17   0.286  -7.201 -12.284
  275    HB2  LEU  17           HB2      LEU  17   1.844  -6.461 -10.412
  276    HB3  LEU  17           HB3      LEU  17   2.530  -8.085 -10.417
  277   HD11  LEU  17          HD11      LEU  17   2.381  -5.947 -12.709
  278   HD12  LEU  17          HD12      LEU  17   2.042  -7.096 -14.012
  279   HD13  LEU  17          HD13      LEU  17   3.281  -7.478 -12.801
  280   HD21  LEU  17          HD21      LEU  17   0.914  -9.229 -13.571
  281   HD22  LEU  17          HD22      LEU  17   0.279  -9.628 -11.979
  282   HD23  LEU  17          HD23      LEU  17   2.034  -9.698 -12.278
  283    H    VAL  18           H        VAL  18   0.771  -6.222  -7.754
  284    HA   VAL  18           HA       VAL  18   2.426  -7.698  -5.864
  285    HB   VAL  18           HB       VAL  18   0.828  -5.126  -5.645
  286   HG11  VAL  18          HG11      VAL  18   2.502  -6.415  -3.445
  287   HG12  VAL  18          HG12      VAL  18   1.945  -4.725  -3.448
  288   HG13  VAL  18          HG13      VAL  18   0.766  -6.028  -3.374
  289   HG21  VAL  18          HG21      VAL  18   3.823  -5.723  -5.521
  290   HG22  VAL  18          HG22      VAL  18   2.975  -5.117  -6.954
  291   HG23  VAL  18          HG23      VAL  18   3.069  -4.119  -5.496
  292    H    CYS  19           H        CYS  19  -1.090  -7.019  -6.058
  293    HA   CYS  19           HA       CYS  19  -1.566  -8.406  -3.527
  294    HB2  CYS  19           HB2      CYS  19  -3.484  -7.178  -5.534
  295    HB3  CYS  19           HB3      CYS  19  -3.910  -7.787  -3.932
  296    H    GLY  20           H        GLY  20  -1.987  -9.241  -6.949
  297    HA2  GLY  20           HA2      GLY  20  -2.491 -11.260  -7.976
  298    HA3  GLY  20           HA3      GLY  20  -2.158 -12.061  -6.430
  299    H    GLU  21           H        GLU  21  -3.827 -13.402  -6.199
  300    HA   GLU  21           HA       GLU  21  -6.513 -12.966  -7.017
  301    HB2  GLU  21           HB2      GLU  21  -5.297 -15.132  -6.659
  302    HB3  GLU  21           HB3      GLU  21  -5.491 -14.915  -4.914
  303    HG2  GLU  21           HG2      GLU  21  -7.934 -15.051  -5.151
  304    HG3  GLU  21           HG3      GLU  21  -7.795 -15.031  -6.915
  305    H    ARG  22           H        ARG  22  -4.897 -11.755  -4.183
  306    HA   ARG  22           HA       ARG  22  -7.015 -11.703  -2.291
  307    HE   ARG  22           HE       ARG  22  -2.235 -10.629  -2.306
  308    HB2  ARG  22           HB2      ARG  22  -4.667  -9.797  -2.666
  309    HB3  ARG  22           HB3      ARG  22  -5.729  -9.817  -1.267
  310    HG2  ARG  22           HG2      ARG  22  -5.107 -12.134  -0.756
  311    HG3  ARG  22           HG3      ARG  22  -4.018 -12.193  -2.144
  312    HD2  ARG  22           HD2      ARG  22  -3.729 -10.152   0.100
  313    HD3  ARG  22           HD3      ARG  22  -2.986 -11.757   0.155
  314   HH11  ARG  22          HH21      ARG  22  -1.591  -9.955   1.146
  315   HH12  ARG  22          HH22      ARG  22   0.021  -9.367   0.760
  316   HH21  ARG  22          HH11      ARG  22  -0.050  -9.811  -2.579
  317   HH22  ARG  22          HH12      ARG  22   0.786  -9.269  -1.136
  318    H    GLY  23           H        GLY  23  -6.400  -9.567  -5.033
  319    HA2  GLY  23           HA2      GLY  23  -7.809  -7.901  -5.967
  320    HA3  GLY  23           HA3      GLY  23  -8.864  -7.964  -4.543
  321    H    PHE  24           H        PHE  24  -8.349  -5.509  -5.382
  322    HA   PHE  24           HA       PHE  24  -6.546  -4.276  -3.422
  323    HD1  PHE  24           HD2      PHE  24  -6.017  -6.117  -7.235
  324    HD2  PHE  24           HD1      PHE  24  -6.014  -1.826  -6.792
  325    HE1  PHE  24           HE2      PHE  24  -6.634  -5.863  -9.629
  326    HE2  PHE  24           HE1      PHE  24  -6.587  -1.578  -9.192
  327    HZ   PHE  24           HZ       PHE  24  -6.910  -3.600 -10.610
  328    HB2  PHE  24           HB2      PHE  24  -5.056  -3.286  -5.051
  329    HB3  PHE  24           HB3      PHE  24  -5.026  -5.023  -5.244
  330    H    PHE  25           H        PHE  25  -6.392  -1.984  -3.592
  331    HA   PHE  25           HA       PHE  25  -8.842  -0.613  -4.612
  332    HD1  PHE  25           HD1      PHE  25 -10.654  -1.166  -3.145
  333    HD2  PHE  25           HD2      PHE  25  -7.458  -1.391  -0.257
  334    HE1  PHE  25           HE1      PHE  25 -11.967  -2.803  -1.821
  335    HE2  PHE  25           HE2      PHE  25  -8.779  -3.014   1.073
  336    HZ   PHE  25           HZ       PHE  25 -11.035  -3.733   0.289
  337    HB2  PHE  25           HB2      PHE  25  -7.163  -0.057  -2.140
  338    HB3  PHE  25           HB3      PHE  25  -8.637   0.788  -2.603
  339    H    TYR  26           H        TYR  26  -8.573   1.569  -5.259
  340    HA   TYR  26           HA       TYR  26  -5.838   2.599  -5.800
  341    HD1  TYR  26           HD1      TYR  26  -8.351   4.298  -8.651
  342    HD2  TYR  26           HD2      TYR  26  -4.451   2.444  -8.695
  343    HE1  TYR  26           HE1      TYR  26  -7.558   6.020 -10.251
  344    HE2  TYR  26           HE2      TYR  26  -3.677   4.133 -10.346
  345    HH   TYR  26           HH       TYR  26  -5.821   6.731 -11.575
  346    HB2  TYR  26           HB2      TYR  26  -6.389   1.278  -7.760
  347    HB3  TYR  26           HB3      TYR  26  -7.995   1.971  -7.853
  348    H    THR  27           H        THR  27  -5.707   4.819  -5.694
  349    HA   THR  27           HA       THR  27  -8.181   6.455  -5.678
  350    HB   THR  27           HB       THR  27  -7.241   7.714  -3.717
  351    HG1  THR  27           HG1      THR  27  -6.007   5.345  -2.939
  352   HG21  THR  27          HG21      THR  27  -8.209   6.248  -2.053
  353   HG22  THR  27          HG22      THR  27  -8.139   4.860  -3.155
  354   HG23  THR  27          HG23      THR  27  -9.212   6.236  -3.509
  355    HA   PRO  28           HA       PRO  28  -5.561   9.248  -8.122
  356    HB2  PRO  28           HB2      PRO  28  -7.940  10.985  -7.498
  357    HB3  PRO  28           HB3      PRO  28  -7.045  10.803  -9.042
  358    HG2  PRO  28           HG2      PRO  28  -9.400   9.543  -8.699
  359    HG3  PRO  28           HG3      PRO  28  -8.021   8.648  -9.426
  360    HD2  PRO  28           HD2      PRO  28  -8.995   8.600  -6.547
  361    HD3  PRO  28           HD3      PRO  28  -8.549   7.238  -7.616
  362    H    LYS  29           H        LYS  29  -5.559  11.986  -7.704
  363    HA   LYS  29           HA       LYS  29  -4.177  12.423  -5.192
  364    HB2  LYS  29           HB2      LYS  29  -3.874  14.682  -6.022
  365    HB3  LYS  29           HB3      LYS  29  -3.511  13.509  -7.286
  366    HG2  LYS  29           HG2      LYS  29  -5.726  13.931  -8.335
  367    HG3  LYS  29           HG3      LYS  29  -6.111  15.097  -7.053
  368    HD2  LYS  29           HD2      LYS  29  -4.177  16.487  -7.735
  369    HD3  LYS  29           HD3      LYS  29  -3.784  15.314  -9.017
  370    HE2  LYS  29           HE2      LYS  29  -6.020  15.715 -10.046
  371    HE3  LYS  29           HE3      LYS  29  -6.405  16.875  -8.772
  372    HZ1  LYS  29           HZ1      LYS  29  -4.202  17.162 -10.734
  373    HZ2  LYS  29           HZ2      LYS  29  -4.544  18.246  -9.552
  374    HZ3  LYS  29           HZ3      LYS  29  -5.610  17.989 -10.764
  375    H    THR  30           H        THR  30  -7.190  11.731  -5.264
  376    HA   THR  30           HA       THR  30  -8.574  13.973  -3.990
  377    HB   THR  30           HB       THR  30 -10.376  12.164  -3.721
  378    HG1  THR  30           HG1      THR  30 -10.097  10.348  -4.975
  379   HG21  THR  30          HG21      THR  30 -10.412  13.857  -5.519
  380   HG22  THR  30          HG22      THR  30 -11.004  12.292  -6.105
  381   HG23  THR  30          HG23      THR  30  -9.366  12.834  -6.523
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -4.586   9.917  -2.075
    2    H2   GLY   1           H2       GLY   1  -6.133   9.405  -1.794
    3    H3   GLY   1           H3       GLY   1  -5.502   9.357  -3.314
    4    HA2  GLY   1           HA2      GLY   1  -4.632   7.715  -1.027
    5    HA3  GLY   1           HA3      GLY   1  -5.534   7.143  -2.448
    6    H    ILE   2           H        ILE   2  -3.547   5.650  -2.401
    7    HA   ILE   2           HA       ILE   2  -0.959   6.571  -2.348
    8    HB   ILE   2           HB       ILE   2  -1.824   4.234  -1.990
    9   HG12  ILE   2          HG12      ILE   2   0.729   4.448  -3.595
   10   HG13  ILE   2          HG13      ILE   2   0.557   4.898  -1.904
   11   HG21  ILE   2          HG21      ILE   2  -1.322   3.852  -4.981
   12   HG22  ILE   2          HG22      ILE   2  -1.915   2.652  -3.817
   13   HG23  ILE   2          HG23      ILE   2  -2.939   4.008  -4.263
   14   HD11  ILE   2          HD11      ILE   2  -0.002   2.593  -1.296
   15   HD12  ILE   2          HD12      ILE   2   0.117   2.082  -2.995
   16   HD13  ILE   2          HD13      ILE   2   1.553   2.673  -2.147
   17    H    VAL   3           H        VAL   3  -2.843   6.616  -5.228
   18    HA   VAL   3           HA       VAL   3  -0.896   6.782  -7.252
   19    HB   VAL   3           HB       VAL   3  -3.280   8.661  -7.154
   20   HG11  VAL   3          HG11      VAL   3  -3.298   8.267  -9.615
   21   HG12  VAL   3          HG12      VAL   3  -1.783   8.997  -9.067
   22   HG13  VAL   3          HG13      VAL   3  -1.834   7.269  -9.458
   23   HG21  VAL   3          HG21      VAL   3  -4.623   6.846  -8.235
   24   HG22  VAL   3          HG22      VAL   3  -3.332   5.699  -7.828
   25   HG23  VAL   3          HG23      VAL   3  -4.232   6.526  -6.547
   26    H    GLU   4           H        GLU   4  -1.806   9.257  -4.840
   27    HA   GLU   4           HA       GLU   4  -0.272  11.368  -6.101
   28    HB2  GLU   4           HB2      GLU   4  -0.986  12.754  -4.373
   29    HB3  GLU   4           HB3      GLU   4  -2.319  11.637  -4.637
   30    HG2  GLU   4           HG2      GLU   4  -1.335  10.296  -2.635
   31    HG3  GLU   4           HG3      GLU   4  -0.333  11.704  -2.330
   32    H    GLN   5           H        GLN   5   0.743   8.696  -4.252
   33    HA   GLN   5           HA       GLN   5   3.373  10.002  -3.684
   34    HB2  GLN   5           HB2      GLN   5   2.375   8.737  -1.788
   35    HB3  GLN   5           HB3      GLN   5   2.250   7.300  -2.797
   36    HG2  GLN   5           HG2      GLN   5   4.190   7.102  -1.348
   37    HG3  GLN   5           HG3      GLN   5   4.714   7.207  -3.019
   38   HE21  GLN   5          HE22      GLN   5   6.847   8.002  -2.541
   39   HE22  GLN   5          HE21      GLN   5   7.075   9.588  -1.807
   40    H    CYS   6           H        CYS   6   1.916   7.048  -5.191
   41    HA   CYS   6           HA       CYS   6   4.317   6.064  -6.283
   42    HB2  CYS   6           HB2      CYS   6   1.390   5.718  -6.999
   43    HB3  CYS   6           HB3      CYS   6   2.659   4.887  -7.877
   44    H    CYS   7           H        CYS   7   2.138   8.423  -7.725
   45    HA   CYS   7           HA       CYS   7   3.587   8.158 -10.316
   46    HB2  CYS   7           HB2      CYS   7   1.106   8.246 -10.174
   47    HB3  CYS   7           HB3      CYS   7   1.223   9.918  -9.612
   48    H    THR   8           H        THR   8   3.023  10.631  -7.819
   49    HA   THR   8           HA       THR   8   4.585  12.733  -8.947
   50    HB   THR   8           HB       THR   8   3.916  12.216  -6.020
   51    HG1  THR   8           HG1      THR   8   1.979  13.165  -6.464
   52   HG21  THR   8          HG21      THR   8   4.345  14.795  -7.615
   53   HG22  THR   8          HG22      THR   8   5.405  14.155  -6.338
   54   HG23  THR   8          HG23      THR   8   3.777  14.712  -5.928
   55    H    SER   9           H        SER   9   5.458  10.046  -6.779
   56    HA   SER   9           HA       SER   9   8.339  10.670  -7.097
   57    HG   SER   9           HG       SER   9   9.150  11.113  -3.750
   58    HB2  SER   9           HB2      SER   9   7.461  11.839  -5.069
   59    HB3  SER   9           HB3      SER   9   7.025  10.255  -4.400
   60    H    ILE  10           H        ILE  10   9.186   8.703  -5.254
   61    HA   ILE  10           HA       ILE  10   8.482   6.171  -6.652
   62    HB   ILE  10           HB       ILE  10  10.557   6.859  -4.537
   63   HG12  ILE  10          HG12      ILE  10  10.801   6.022  -7.472
   64   HG13  ILE  10          HG13      ILE  10  10.994   7.663  -6.857
   65   HG21  ILE  10          HG21      ILE  10   9.769   4.554  -4.128
   66   HG22  ILE  10          HG22      ILE  10  10.007   4.155  -5.836
   67   HG23  ILE  10          HG23      ILE  10  11.389   4.528  -4.785
   68   HD11  ILE  10          HD11      ILE  10  12.838   5.313  -6.307
   69   HD12  ILE  10          HD12      ILE  10  13.180   6.788  -7.221
   70   HD13  ILE  10          HD13      ILE  10  12.937   6.875  -5.459
   71    H    CYS  11           H        CYS  11   7.187   4.619  -5.873
   72    HA   CYS  11           HA       CYS  11   6.604   4.614  -2.946
   73    HB2  CYS  11           HB2      CYS  11   4.412   3.741  -3.272
   74    HB3  CYS  11           HB3      CYS  11   4.549   5.228  -4.177
   75    H    SER  12           H        SER  12   6.313   2.549  -2.030
   76    HA   SER  12           HA       SER  12   8.172   0.581  -3.273
   77    HG   SER  12           HG       SER  12   9.475   1.655  -0.163
   78    HB2  SER  12           HB2      SER  12   7.295   0.934  -0.390
   79    HB3  SER  12           HB3      SER  12   8.459  -0.270  -0.978
   80    H    LEU  13           H        LEU  13   7.828  -1.703  -3.143
   81    HA   LEU  13           HA       LEU  13   5.210  -2.552  -3.905
   82    HG   LEU  13           HG       LEU  13   8.369  -3.021  -4.799
   83    HB2  LEU  13           HB2      LEU  13   7.556  -4.180  -2.816
   84    HB3  LEU  13           HB3      LEU  13   6.168  -4.817  -3.687
   85   HD11  LEU  13          HD11      LEU  13   8.968  -5.392  -4.511
   86   HD12  LEU  13          HD12      LEU  13   8.843  -4.976  -6.227
   87   HD13  LEU  13          HD13      LEU  13   7.530  -5.882  -5.445
   88   HD21  LEU  13          HD21      LEU  13   5.855  -4.006  -6.209
   89   HD22  LEU  13          HD22      LEU  13   7.269  -3.315  -7.025
   90   HD23  LEU  13          HD23      LEU  13   6.328  -2.318  -5.918
   91    H    TYR  14           H        TYR  14   6.811  -2.559  -0.744
   92    HA   TYR  14           HA       TYR  14   4.745  -3.929   0.664
   93    HD1  TYR  14           HD1      TYR  14   6.036  -5.426   2.426
   94    HD2  TYR  14           HD2      TYR  14   8.884  -2.602   0.829
   95    HE1  TYR  14           HE1      TYR  14   7.758  -7.213   2.337
   96    HE2  TYR  14           HE2      TYR  14  10.600  -4.392   0.710
   97    HH   TYR  14           HH       TYR  14  11.085  -6.603   1.109
   98    HB2  TYR  14           HB2      TYR  14   6.760  -1.834   1.572
   99    HB3  TYR  14           HB3      TYR  14   5.800  -2.819   2.660
  100    H    GLN  15           H        GLN  15   4.952  -0.601  -0.396
  101    HA   GLN  15           HA       GLN  15   2.679   0.340   1.249
  102    HB2  GLN  15           HB2      GLN  15   4.079   1.631  -1.133
  103    HB3  GLN  15           HB3      GLN  15   2.822   2.374  -0.150
  104    HG2  GLN  15           HG2      GLN  15   4.227   2.323   1.840
  105    HG3  GLN  15           HG3      GLN  15   5.517   1.497   0.970
  106   HE21  GLN  15          HE21      GLN  15   5.031   4.422   2.223
  107   HE22  GLN  15          HE22      GLN  15   5.736   5.417   0.954
  108    H    LEU  16           H        LEU  16   3.260  -0.710  -2.158
  109    HA   LEU  16           HA       LEU  16   0.524  -0.560  -3.020
  110    HG   LEU  16           HG       LEU  16   3.427  -0.273  -4.392
  111    HB2  LEU  16           HB2      LEU  16   2.690  -2.566  -3.797
  112    HB3  LEU  16           HB3      LEU  16   1.184  -2.331  -4.655
  113   HD11  LEU  16          HD11      LEU  16   3.957  -2.224  -5.823
  114   HD12  LEU  16          HD12      LEU  16   3.815  -0.739  -6.764
  115   HD13  LEU  16          HD13      LEU  16   2.492  -1.929  -6.774
  116   HD21  LEU  16          HD21      LEU  16   2.199   0.983  -6.133
  117   HD22  LEU  16          HD22      LEU  16   1.275   0.887  -4.629
  118   HD23  LEU  16          HD23      LEU  16   0.852  -0.154  -6.010
  119    H    GLU  17           H        GLU  17   2.265  -3.175  -1.311
  120    HA   GLU  17           HA       GLU  17   0.104  -4.990  -1.148
  121    HB2  GLU  17           HB2      GLU  17   2.510  -5.506  -0.730
  122    HB3  GLU  17           HB3      GLU  17   2.385  -4.671   0.825
  123    HG2  GLU  17           HG2      GLU  17   0.653  -6.301   1.549
  124    HG3  GLU  17           HG3      GLU  17   0.748  -7.104  -0.020
  125    H    ASN  18           H        ASN  18   1.051  -2.362   1.128
  126    HA   ASN  18           HA       ASN  18  -1.014  -2.834   3.054
  127    HB2  ASN  18           HB2      ASN  18   1.023  -1.469   3.431
  128    HB3  ASN  18           HB3      ASN  18   0.440  -0.269   2.285
  129   HD21  ASN  18          HD21      ASN  18  -0.810   1.401   3.116
  130   HD22  ASN  18          HD22      ASN  18  -1.535   1.367   4.710
  131    H    TYR  19           H        TYR  19  -1.115  -1.367  -0.123
  132    HA   TYR  19           HA       TYR  19  -3.799  -0.223   0.276
  133    HD1  TYR  19           HD1      TYR  19  -2.030   2.040   0.565
  134    HD2  TYR  19           HD2      TYR  19  -4.593   1.572  -2.855
  135    HE1  TYR  19           HE1      TYR  19  -3.135   4.208   1.108
  136    HE2  TYR  19           HE2      TYR  19  -5.734   3.713  -2.306
  137    HH   TYR  19           HH       TYR  19  -5.941   5.420  -0.773
  138    HB2  TYR  19           HB2      TYR  19  -1.551   0.390  -1.404
  139    HB3  TYR  19           HB3      TYR  19  -2.886  -0.031  -2.449
  140    H    CYS  20           H        CYS  20  -2.845  -3.322  -0.244
  141    HA   CYS  20           HA       CYS  20  -4.850  -4.135  -2.183
  142    HB2  CYS  20           HB2      CYS  20  -3.442  -5.693   0.000
  143    HB3  CYS  20           HB3      CYS  20  -4.431  -6.398  -1.285
  144    H    ASN  21           H        ASN  21  -6.759  -5.194  -1.831
  145    HA   ASN  21           HA       ASN  21  -8.170  -4.903   0.792
  146    HB2  ASN  21           HB2      ASN  21  -9.189  -3.553  -1.014
  147    HB3  ASN  21           HB3      ASN  21  -9.301  -4.971  -2.040
  148   HD21  ASN  21          HD21      ASN  21 -10.499  -6.877  -0.904
  149   HD22  ASN  21          HD22      ASN  21 -12.054  -6.408  -0.191
  150    HA   PHE   1           HA       PHE   1  15.089  -4.273  -9.036
  151    HD1  PHE   1           HD2      PHE   1  17.189  -4.493  -7.531
  152    HD2  PHE   1           HD1      PHE   1  15.576  -0.548  -6.832
  153    HE1  PHE   1           HE2      PHE   1  17.612  -4.742  -5.090
  154    HE2  PHE   1           HE1      PHE   1  16.019  -0.797  -4.408
  155    HZ   PHE   1           HZ       PHE   1  17.028  -2.899  -3.528
  156    H1   PHE   1           H1       PHE   1  15.626  -3.503 -11.228
  157    H2   PHE   1           H2       PHE   1  14.557  -2.264 -11.115
  158    H3   PHE   1           H3       PHE   1  14.013  -3.810 -11.116
  159    HB2  PHE   1           HB2      PHE   1  16.946  -2.647  -9.382
  160    HB3  PHE   1           HB3      PHE   1  15.835  -1.318  -9.065
  161    H    VAL   2           H        VAL   2  14.082  -3.717  -6.910
  162    HA   VAL   2           HA       VAL   2  11.245  -3.253  -7.289
  163    HB   VAL   2           HB       VAL   2  10.991  -3.641  -4.903
  164   HG11  VAL   2          HG11      VAL   2  11.693  -5.964  -4.859
  165   HG12  VAL   2          HG12      VAL   2  11.162  -5.555  -6.499
  166   HG13  VAL   2          HG13      VAL   2  12.892  -5.678  -6.131
  167   HG21  VAL   2          HG21      VAL   2  13.070  -2.589  -4.023
  168   HG22  VAL   2          HG22      VAL   2  12.863  -4.242  -3.438
  169   HG23  VAL   2          HG23      VAL   2  14.032  -3.902  -4.729
  170    H    ASN   3           H        ASN   3   9.913  -1.744  -6.238
  171    HA   ASN   3           HA       ASN   3   9.115   0.179  -5.572
  172    HB2  ASN   3           HB2      ASN   3  11.823   1.023  -4.532
  173    HB3  ASN   3           HB3      ASN   3  10.219   1.522  -4.022
  174   HD21  ASN   3          HD21      ASN   3  12.552   0.151  -2.543
  175   HD22  ASN   3          HD22      ASN   3  11.758  -1.203  -1.759
  176    H    GLN   4           H        GLN   4   8.497   1.969  -6.715
  177    HA   GLN   4           HA       GLN   4  10.284   3.024  -8.852
  178    HB2  GLN   4           HB2      GLN   4   7.910   1.139  -9.250
  179    HB3  GLN   4           HB3      GLN   4   8.520   2.155 -10.544
  180    HG2  GLN   4           HG2      GLN   4  10.070  -0.072  -9.162
  181    HG3  GLN   4           HG3      GLN   4   9.363  -0.114 -10.765
  182   HE21  GLN   4          HE21      GLN   4  12.211  -0.521 -10.087
  183   HE22  GLN   4          HE22      GLN   4  13.062   0.767 -10.943
  184    H    HIS   5           H        HIS   5   9.147   4.462 -10.357
  185    HA   HIS   5           HA       HIS   5   6.851   5.990  -9.255
  186    HD1  HIS   5           HD1      HIS   5   6.877   9.365 -10.526
  187    HD2  HIS   5           HD2      HIS   5  10.429   7.236  -9.748
  188    HE1  HIS   5           HE1      HIS   5   8.489  11.021  -9.469
  189    HB2  HIS   5           HB2      HIS   5   8.618   6.285 -11.719
  190    HB3  HIS   5           HB3      HIS   5   7.035   7.029 -11.638
  191    H    LEU   6           H        LEU   6   4.824   5.536  -9.889
  192    HA   LEU   6           HA       LEU   6   4.176   3.736 -12.163
  193    HG   LEU   6           HG       LEU   6   5.651   2.185 -10.054
  194    HB2  LEU   6           HB2      LEU   6   3.532   3.328  -9.211
  195    HB3  LEU   6           HB3      LEU   6   2.654   2.510 -10.494
  196   HD11  LEU   6          HD11      LEU   6   4.481   1.416  -8.080
  197   HD12  LEU   6          HD12      LEU   6   5.028   0.017  -9.008
  198   HD13  LEU   6          HD13      LEU   6   3.319   0.508  -9.065
  199   HD21  LEU   6          HD21      LEU   6   5.334   0.149 -11.444
  200   HD22  LEU   6          HD22      LEU   6   4.912   1.603 -12.351
  201   HD23  LEU   6          HD23      LEU   6   3.631   0.568 -11.685
  202    H    CYS   7           H        CYS   7   2.425   4.531 -13.224
  203    HA   CYS   7           HA       CYS   7   0.544   6.395 -11.843
  204    HB2  CYS   7           HB2      CYS   7   1.817   6.734 -14.578
  205    HB3  CYS   7           HB3      CYS   7   0.576   7.781 -13.915
  206    H    GLY   8           H        GLY   8  -1.540   6.305 -12.559
  207    HA2  GLY   8           HA2      GLY   8  -3.474   5.589 -13.626
  208    HA3  GLY   8           HA3      GLY   8  -2.452   5.624 -15.057
  209    H    SER   9           H        SER   9  -2.880   3.908 -16.218
  210    HA   SER   9           HA       SER   9  -3.934   1.436 -15.367
  211    HG   SER   9           HG       SER   9  -5.044   2.253 -17.647
  212    HB2  SER   9           HB2      SER   9  -2.204   1.932 -17.817
  213    HB3  SER   9           HB3      SER   9  -3.419   0.667 -17.605
  214    H    HIS  10           H        HIS  10  -0.491   2.428 -15.615
  215    HA   HIS  10           HA       HIS  10   0.473  -0.306 -15.168
  216    HD1  HIS  10           HD1      HIS  10   1.877  -1.139 -17.016
  217    HD2  HIS  10           HD2      HIS  10   2.074   3.004 -17.813
  218    HE1  HIS  10           HE1      HIS  10   2.087  -0.900 -19.537
  219    HB2  HIS  10           HB2      HIS  10   1.822   2.403 -15.293
  220    HB3  HIS  10           HB3      HIS  10   2.682   0.895 -14.936
  221    H    LEU  11           H        LEU  11  -0.334   2.447 -13.074
  222    HA   LEU  11           HA       LEU  11   0.737   1.141 -10.675
  223    HG   LEU  11           HG       LEU  11  -1.658   2.445  -8.829
  224    HB2  LEU  11           HB2      LEU  11   0.418   3.565 -10.753
  225    HB3  LEU  11           HB3      LEU  11  -1.305   3.383 -11.050
  226   HD11  LEU  11          HD11      LEU  11   0.138   2.380  -7.128
  227   HD12  LEU  11          HD12      LEU  11   1.343   2.766  -8.375
  228   HD13  LEU  11          HD13      LEU  11   0.460   1.227  -8.421
  229   HD21  LEU  11          HD21      LEU  11  -1.640   4.907  -9.164
  230   HD22  LEU  11          HD22      LEU  11   0.073   4.953  -8.742
  231   HD23  LEU  11          HD23      LEU  11  -1.124   4.455  -7.524
  232    H    VAL  12           H        VAL  12  -2.494   1.367 -12.210
  233    HA   VAL  12           HA       VAL  12  -3.859  -0.375 -10.422
  234    HB   VAL  12           HB       VAL  12  -4.264   0.221 -13.365
  235   HG11  VAL  12          HG11      VAL  12  -6.101  -1.459 -11.613
  236   HG12  VAL  12          HG12      VAL  12  -6.524  -0.797 -13.200
  237   HG13  VAL  12          HG13      VAL  12  -5.248  -2.006 -13.076
  238   HG21  VAL  12          HG21      VAL  12  -4.718   2.048 -11.750
  239   HG22  VAL  12          HG22      VAL  12  -6.206   1.499 -12.527
  240   HG23  VAL  12          HG23      VAL  12  -5.836   0.998 -10.867
  241    H    GLU  13           H        GLU  13  -1.934  -1.201 -13.315
  242    HA   GLU  13           HA       GLU  13  -2.150  -4.037 -13.205
  243    HB2  GLU  13           HB2      GLU  13  -1.318  -2.740 -15.107
  244    HB3  GLU  13           HB3      GLU  13   0.056  -2.184 -14.155
  245    HG2  GLU  13           HG2      GLU  13   0.986  -4.439 -14.093
  246    HG3  GLU  13           HG3      GLU  13  -0.446  -5.071 -14.919
  247    H    ALA  14           H        ALA  14   0.358  -1.872 -11.764
  248    HA   ALA  14           HA       ALA  14   1.878  -3.959 -10.561
  249    HB1  ALA  14           HB1      ALA  14   1.615  -1.027  -9.763
  250    HB2  ALA  14           HB2      ALA  14   2.918  -2.129  -9.271
  251    HB3  ALA  14           HB3      ALA  14   2.735  -1.688 -10.976
  252    H    LEU  15           H        LEU  15  -0.727  -1.938  -9.148
  253    HA   LEU  15           HA       LEU  15  -0.828  -3.119  -6.545
  254    HG   LEU  15           HG       LEU  15  -1.141  -0.362  -7.227
  255    HB2  LEU  15           HB2      LEU  15  -2.919  -1.850  -8.359
  256    HB3  LEU  15           HB3      LEU  15  -3.312  -2.430  -6.745
  257   HD11  LEU  15          HD11      LEU  15  -2.786   1.347  -6.579
  258   HD12  LEU  15          HD12      LEU  15  -4.060   0.110  -6.488
  259   HD13  LEU  15          HD13      LEU  15  -3.307   0.508  -8.048
  260   HD21  LEU  15          HD21      LEU  15  -2.724  -1.129  -4.721
  261   HD22  LEU  15          HD22      LEU  15  -1.496   0.145  -4.829
  262   HD23  LEU  15          HD23      LEU  15  -1.032  -1.542  -5.032
  263    H    TYR  16           H        TYR  16  -2.759  -4.026  -9.466
  264    HA   TYR  16           HA       TYR  16  -3.984  -6.300  -8.389
  265    HD1  TYR  16           HD1      TYR  16  -5.981  -7.466  -9.645
  266    HD2  TYR  16           HD2      TYR  16  -2.719  -7.635 -12.460
  267    HE1  TYR  16           HE1      TYR  16  -6.763  -9.699 -10.400
  268    HE2  TYR  16           HE2      TYR  16  -3.493  -9.866 -13.230
  269    HH   TYR  16           HH       TYR  16  -5.074 -11.545 -12.981
  270    HB2  TYR  16           HB2      TYR  16  -4.634  -5.341 -10.524
  271    HB3  TYR  16           HB3      TYR  16  -3.060  -5.680 -11.219
  272    H    LEU  17           H        LEU  17  -0.766  -6.108  -9.944
  273    HA   LEU  17           HA       LEU  17  -0.235  -8.947  -9.708
  274    HG   LEU  17           HG       LEU  17  -0.080  -7.231 -12.114
  275    HB2  LEU  17           HB2      LEU  17   1.534  -6.534 -10.268
  276    HB3  LEU  17           HB3      LEU  17   2.147  -8.187 -10.263
  277   HD11  LEU  17          HD11      LEU  17   1.647  -7.208 -13.865
  278   HD12  LEU  17          HD12      LEU  17   2.889  -7.655 -12.681
  279   HD13  LEU  17          HD13      LEU  17   2.068  -6.082 -12.570
  280   HD21  LEU  17          HD21      LEU  17  -0.186  -9.650 -11.763
  281   HD22  LEU  17          HD22      LEU  17   1.558  -9.798 -12.086
  282   HD23  LEU  17          HD23      LEU  17   0.448  -9.306 -13.376
  283    H    VAL  18           H        VAL  18   0.568  -6.232  -7.576
  284    HA   VAL  18           HA       VAL  18   2.143  -7.893  -5.750
  285    HB   VAL  18           HB       VAL  18   0.854  -5.170  -5.410
  286   HG11  VAL  18          HG11      VAL  18   2.565  -6.678  -3.381
  287   HG12  VAL  18          HG12      VAL  18   2.190  -4.944  -3.314
  288   HG13  VAL  18          HG13      VAL  18   0.889  -6.122  -3.157
  289   HG21  VAL  18          HG21      VAL  18   3.775  -6.089  -5.553
  290   HG22  VAL  18          HG22      VAL  18   2.890  -5.333  -6.887
  291   HG23  VAL  18          HG23      VAL  18   3.219  -4.414  -5.414
  292    H    CYS  19           H        CYS  19  -1.281  -6.899  -5.887
  293    HA   CYS  19           HA       CYS  19  -1.980  -8.166  -3.368
  294    HB2  CYS  19           HB2      CYS  19  -3.701  -7.051  -5.606
  295    HB3  CYS  19           HB3      CYS  19  -4.256  -7.458  -3.986
  296    H    GLY  20           H        GLY  20  -2.099  -9.275  -6.726
  297    HA2  GLY  20           HA2      GLY  20  -2.393 -11.414  -7.585
  298    HA3  GLY  20           HA3      GLY  20  -2.219 -12.030  -5.931
  299    H    GLU  21           H        GLU  21  -3.930 -12.973  -5.063
  300    HA   GLU  21           HA       GLU  21  -6.518 -13.072  -6.380
  301    HB2  GLU  21           HB2      GLU  21  -7.149 -14.577  -4.598
  302    HB3  GLU  21           HB3      GLU  21  -5.569 -15.015  -5.245
  303    HG2  GLU  21           HG2      GLU  21  -4.487 -13.888  -3.272
  304    HG3  GLU  21           HG3      GLU  21  -6.089 -13.541  -2.621
  305    H    ARG  22           H        ARG  22  -5.154 -10.998  -3.948
  306    HA   ARG  22           HA       ARG  22  -7.706 -10.091  -2.798
  307    HE   ARG  22           HE       ARG  22  -6.155  -8.447   0.618
  308    HB2  ARG  22           HB2      ARG  22  -4.880  -8.988  -2.565
  309    HB3  ARG  22           HB3      ARG  22  -6.281  -8.385  -1.698
  310    HG2  ARG  22           HG2      ARG  22  -6.543 -10.570  -0.557
  311    HG3  ARG  22           HG3      ARG  22  -5.171 -11.224  -1.475
  312    HD2  ARG  22           HD2      ARG  22  -4.408 -10.609   0.731
  313    HD3  ARG  22           HD3      ARG  22  -3.681  -9.525  -0.468
  314   HH11  ARG  22          HH11      ARG  22  -2.716  -8.718   1.471
  315   HH12  ARG  22          HH12      ARG  22  -2.808  -7.326   2.510
  316   HH21  ARG  22          HH21      ARG  22  -6.209  -6.796   1.884
  317   HH22  ARG  22          HH22      ARG  22  -4.797  -6.217   2.768
  318    H    GLY  23           H        GLY  23  -8.423  -7.875  -2.945
  319    HA2  GLY  23           HA2      GLY  23  -8.231  -6.664  -5.673
  320    HA3  GLY  23           HA3      GLY  23  -9.304  -6.168  -4.345
  321    H    PHE  24           H        PHE  24  -8.419  -4.047  -5.220
  322    HA   PHE  24           HA       PHE  24  -6.452  -3.026  -3.294
  323    HD1  PHE  24           HD2      PHE  24  -6.306  -0.800  -6.937
  324    HD2  PHE  24           HD1      PHE  24  -5.869  -5.091  -6.872
  325    HE1  PHE  24           HE2      PHE  24  -7.028  -0.911  -9.315
  326    HE2  PHE  24           HE1      PHE  24  -6.628  -5.202  -9.236
  327    HZ   PHE  24           HZ       PHE  24  -7.215  -3.116 -10.451
  328    HB2  PHE  24           HB2      PHE  24  -5.102  -1.955  -5.086
  329    HB3  PHE  24           HB3      PHE  24  -4.973  -3.701  -5.066
  330    H    PHE  25           H        PHE  25  -6.463  -0.807  -3.019
  331    HA   PHE  25           HA       PHE  25  -9.118   0.341  -3.523
  332    HD1  PHE  25           HD1      PHE  25 -10.447   0.352  -1.494
  333    HD2  PHE  25           HD2      PHE  25  -6.457  -0.311   0.013
  334    HE1  PHE  25           HE1      PHE  25 -11.354  -1.137   0.273
  335    HE2  PHE  25           HE2      PHE  25  -7.376  -1.785   1.786
  336    HZ   PHE  25           HZ       PHE  25  -9.824  -2.204   1.918
  337    HB2  PHE  25           HB2      PHE  25  -6.761   1.150  -1.793
  338    HB3  PHE  25           HB3      PHE  25  -8.293   2.012  -1.817
  339    H    TYR  26           H        TYR  26  -5.846   1.039  -4.667
  340    HA   TYR  26           HA       TYR  26  -4.964   2.656  -6.014
  341    HD1  TYR  26           HD1      TYR  26  -4.148   2.829  -8.359
  342    HD2  TYR  26           HD2      TYR  26  -8.274   3.990  -8.849
  343    HE1  TYR  26           HE1      TYR  26  -3.521   4.267 -10.288
  344    HE2  TYR  26           HE2      TYR  26  -7.637   5.442 -10.763
  345    HH   TYR  26           HH       TYR  26  -5.925   6.219 -12.077
  346    HB2  TYR  26           HB2      TYR  26  -6.344   1.416  -7.557
  347    HB3  TYR  26           HB3      TYR  26  -7.735   2.412  -7.218
  348    H    THR  27           H        THR  27  -7.978   4.352  -6.443
  349    HA   THR  27           HA       THR  27  -8.804   6.391  -5.872
  350    HB   THR  27           HB       THR  27  -7.403   5.837  -3.248
  351    HG1  THR  27           HG1      THR  27  -8.913   4.244  -4.049
  352   HG21  THR  27          HG21      THR  27  -9.264   7.221  -2.321
  353   HG22  THR  27          HG22      THR  27  -9.761   7.657  -3.968
  354   HG23  THR  27          HG23      THR  27  -8.193   8.191  -3.334
  355    HA   PRO  28           HA       PRO  28  -5.393   9.343  -6.692
  356    HB2  PRO  28           HB2      PRO  28  -6.513  10.578  -8.845
  357    HB3  PRO  28           HB3      PRO  28  -5.633   9.035  -9.004
  358    HG2  PRO  28           HG2      PRO  28  -8.627   9.450  -8.756
  359    HG3  PRO  28           HG3      PRO  28  -7.747   8.468  -9.966
  360    HD2  PRO  28           HD2      PRO  28  -8.857   7.414  -7.699
  361    HD3  PRO  28           HD3      PRO  28  -7.352   6.756  -8.394
  362    H    LYS  29           H        LYS  29  -5.914  11.862  -6.981
  363    HA   LYS  29           HA       LYS  29  -7.455  12.537  -4.612
  364    HB2  LYS  29           HB2      LYS  29  -5.910  14.294  -6.572
  365    HB3  LYS  29           HB3      LYS  29  -6.537  14.786  -4.997
  366    HG2  LYS  29           HG2      LYS  29  -5.093  12.969  -3.943
  367    HG3  LYS  29           HG3      LYS  29  -4.372  12.716  -5.532
  368    HD2  LYS  29           HD2      LYS  29  -2.890  14.171  -4.349
  369    HD3  LYS  29           HD3      LYS  29  -3.683  15.125  -5.591
  370    HE2  LYS  29           HE2      LYS  29  -3.522  16.413  -3.554
  371    HE3  LYS  29           HE3      LYS  29  -5.220  16.073  -3.880
  372    HZ1  LYS  29           HZ1      LYS  29  -3.550  14.495  -1.986
  373    HZ2  LYS  29           HZ2      LYS  29  -5.165  14.364  -2.179
  374    HZ3  LYS  29           HZ3      LYS  29  -4.541  15.727  -1.529
  375    H    THR  30           H        THR  30  -8.576  12.180  -7.734
  376    HA   THR  30           HA       THR  30 -10.154  14.546  -8.153
  377    HB   THR  30           HB       THR  30 -11.387  13.137  -9.823
  378    HG1  THR  30           HG1      THR  30 -10.962  11.159  -8.648
  379   HG21  THR  30          HG21      THR  30  -8.343  13.042 -10.013
  380   HG22  THR  30          HG22      THR  30  -9.379  14.413 -10.460
  381   HG23  THR  30          HG23      THR  30  -9.495  12.891 -11.358
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -2.531  10.465  -2.039
    2    H2   GLY   1           H2       GLY   1  -1.830   9.586  -0.845
    3    H3   GLY   1           H3       GLY   1  -3.344  10.183  -0.645
    4    HA2  GLY   1           HA2      GLY   1  -3.470   7.828  -1.111
    5    HA3  GLY   1           HA3      GLY   1  -4.192   8.777  -2.423
    6    H    ILE   2           H        ILE   2  -3.222   6.133  -2.728
    7    HA   ILE   2           HA       ILE   2  -0.493   5.929  -3.330
    8    HB   ILE   2           HB       ILE   2  -1.998   4.079  -2.749
    9   HG12  ILE   2          HG12      ILE   2  -1.019   2.314  -4.108
   10   HG13  ILE   2          HG13      ILE   2  -0.431   3.495  -5.274
   11   HG21  ILE   2          HG21      ILE   2  -2.908   4.068  -5.650
   12   HG22  ILE   2          HG22      ILE   2  -3.358   2.915  -4.380
   13   HG23  ILE   2          HG23      ILE   2  -3.908   4.583  -4.270
   14   HD11  ILE   2          HD11      ILE   2   0.376   3.412  -2.328
   15   HD12  ILE   2          HD12      ILE   2   1.305   2.681  -3.645
   16   HD13  ILE   2          HD13      ILE   2   1.100   4.433  -3.595
   17    H    VAL   3           H        VAL   3  -3.063   6.751  -5.638
   18    HA   VAL   3           HA       VAL   3  -1.335   6.440  -7.943
   19    HB   VAL   3           HB       VAL   3  -3.838   8.132  -7.719
   20   HG11  VAL   3          HG11      VAL   3  -2.369   7.121 -10.190
   21   HG12  VAL   3          HG12      VAL   3  -3.998   7.831 -10.191
   22   HG13  VAL   3          HG13      VAL   3  -2.620   8.821  -9.710
   23   HG21  VAL   3          HG21      VAL   3  -5.028   6.247  -8.676
   24   HG22  VAL   3          HG22      VAL   3  -3.525   5.299  -8.765
   25   HG23  VAL   3          HG23      VAL   3  -4.221   5.710  -7.203
   26    H    GLU   4           H        GLU   4  -1.861   9.186  -5.744
   27    HA   GLU   4           HA       GLU   4  -0.311  11.062  -7.367
   28    HB2  GLU   4           HB2      GLU   4  -2.074  11.795  -5.785
   29    HB3  GLU   4           HB3      GLU   4  -1.131  11.156  -4.433
   30    HG2  GLU   4           HG2      GLU   4   0.700  12.753  -4.970
   31    HG3  GLU   4           HG3      GLU   4  -0.227  13.348  -6.351
   32    H    GLN   5           H        GLN   5   0.285   8.994  -4.468
   33    HA   GLN   5           HA       GLN   5   2.994   9.741  -4.075
   34    HB2  GLN   5           HB2      GLN   5   1.572   8.486  -2.446
   35    HB3  GLN   5           HB3      GLN   5   1.606   7.078  -3.507
   36    HG2  GLN   5           HG2      GLN   5   3.187   6.794  -1.668
   37    HG3  GLN   5           HG3      GLN   5   4.050   6.876  -3.187
   38   HE21  GLN   5          HE21      GLN   5   5.918   8.148  -3.073
   39   HE22  GLN   5          HE22      GLN   5   6.086   9.524  -1.984
   40    H    CYS   6           H        CYS   6   1.683   6.984  -6.024
   41    HA   CYS   6           HA       CYS   6   4.279   6.079  -6.854
   42    HB2  CYS   6           HB2      CYS   6   1.463   5.640  -7.911
   43    HB3  CYS   6           HB3      CYS   6   2.876   4.832  -8.551
   44    H    CYS   7           H        CYS   7   2.131   8.464  -8.283
   45    HA   CYS   7           HA       CYS   7   3.655   8.324 -10.843
   46    HB2  CYS   7           HB2      CYS   7   1.173   8.047 -10.776
   47    HB3  CYS   7           HB3      CYS   7   1.036   9.727 -10.264
   48    H    THR   8           H        THR   8   2.692  10.808  -8.417
   49    HA   THR   8           HA       THR   8   4.196  12.923  -9.812
   50    HB   THR   8           HB       THR   8   2.873  12.962  -7.070
   51    HG1  THR   8           HG1      THR   8   1.181  13.961  -8.294
   52   HG21  THR   8          HG21      THR   8   4.450  14.830  -7.381
   53   HG22  THR   8          HG22      THR   8   2.788  15.415  -7.485
   54   HG23  THR   8          HG23      THR   8   3.745  15.196  -8.970
   55    H    SER   9           H        SER   9   4.597  10.828  -6.996
   56    HA   SER   9           HA       SER   9   7.533  11.467  -6.943
   57    HG   SER   9           HG       SER   9   7.827  11.260  -3.522
   58    HB2  SER   9           HB2      SER   9   6.270  12.121  -4.864
   59    HB3  SER   9           HB3      SER   9   5.872  10.415  -4.632
   60    H    ILE  10           H        ILE  10   7.960   9.100  -5.319
   61    HA   ILE  10           HA       ILE  10   7.454   6.897  -7.300
   62    HB   ILE  10           HB       ILE  10   9.427   5.783  -6.386
   63   HG12  ILE  10          HG12      ILE  10  10.124   8.375  -4.936
   64   HG13  ILE  10          HG13      ILE  10   9.507   6.917  -4.150
   65   HG21  ILE  10          HG21      ILE  10  10.137   8.510  -7.498
   66   HG22  ILE  10          HG22      ILE  10  11.083   7.014  -7.643
   67   HG23  ILE  10          HG23      ILE  10   9.525   7.140  -8.447
   68   HD11  ILE  10          HD11      ILE  10  11.897   6.982  -3.888
   69   HD12  ILE  10          HD12      ILE  10  11.482   5.634  -4.965
   70   HD13  ILE  10          HD13      ILE  10  12.148   7.147  -5.629
   71    H    CYS  11           H        CYS  11   7.052   4.786  -6.416
   72    HA   CYS  11           HA       CYS  11   6.454   4.663  -3.514
   73    HB2  CYS  11           HB2      CYS  11   4.321   3.603  -3.818
   74    HB3  CYS  11           HB3      CYS  11   4.318   5.138  -4.661
   75    H    SER  12           H        SER  12   6.402   2.561  -2.624
   76    HA   SER  12           HA       SER  12   8.053   0.559  -4.091
   77    HG   SER  12           HG       SER  12   7.473   0.511  -0.060
   78    HB2  SER  12           HB2      SER  12   8.487  -0.442  -1.966
   79    HB3  SER  12           HB3      SER  12   8.686   1.305  -1.777
   80    H    LEU  13           H        LEU  13   7.514  -1.763  -3.840
   81    HA   LEU  13           HA       LEU  13   4.796  -2.418  -4.572
   82    HG   LEU  13           HG       LEU  13   7.857  -3.120  -5.526
   83    HB2  LEU  13           HB2      LEU  13   7.044  -4.177  -3.478
   84    HB3  LEU  13           HB3      LEU  13   5.590  -4.736  -4.284
   85   HD11  LEU  13          HD11      LEU  13   6.897  -5.972  -6.050
   86   HD12  LEU  13          HD12      LEU  13   8.346  -5.516  -5.120
   87   HD13  LEU  13          HD13      LEU  13   8.258  -5.156  -6.856
   88   HD21  LEU  13          HD21      LEU  13   6.714  -3.456  -7.708
   89   HD22  LEU  13          HD22      LEU  13   5.804  -2.401  -6.621
   90   HD23  LEU  13          HD23      LEU  13   5.293  -4.092  -6.853
   91    H    TYR  14           H        TYR  14   6.521  -2.384  -1.469
   92    HA   TYR  14           HA       TYR  14   4.402  -3.546   0.081
   93    HD1  TYR  14           HD1      TYR  14   5.062  -4.608   2.500
   94    HD2  TYR  14           HD2      TYR  14   5.793  -0.361   2.685
   95    HE1  TYR  14           HE1      TYR  14   4.169  -4.556   4.827
   96    HE2  TYR  14           HE2      TYR  14   4.891  -0.303   5.000
   97    HH   TYR  14           HH       TYR  14   3.701  -3.250   6.661
   98    HB2  TYR  14           HB2      TYR  14   6.677  -3.392   0.912
   99    HB3  TYR  14           HB3      TYR  14   6.632  -1.633   0.847
  100    H    GLN  15           H        GLN  15   4.988  -0.215  -1.003
  101    HA   GLN  15           HA       GLN  15   2.715   0.906   0.463
  102    HB2  GLN  15           HB2      GLN  15   4.474   1.936  -1.786
  103    HB3  GLN  15           HB3      GLN  15   3.094   2.849  -1.170
  104    HG2  GLN  15           HG2      GLN  15   4.004   2.973   1.049
  105    HG3  GLN  15           HG3      GLN  15   5.330   1.881   0.663
  106   HE21  GLN  15          HE22      GLN  15   5.375   4.785   1.622
  107   HE22  GLN  15          HE21      GLN  15   6.357   5.583   0.403
  108    H    LEU  16           H        LEU  16   3.123  -0.446  -2.853
  109    HA   LEU  16           HA       LEU  16   0.403   0.024  -3.667
  110    HG   LEU  16           HG       LEU  16   3.134  -0.168  -5.238
  111    HB2  LEU  16           HB2      LEU  16   2.267  -2.305  -4.307
  112    HB3  LEU  16           HB3      LEU  16   0.730  -2.033  -5.082
  113   HD11  LEU  16          HD11      LEU  16   3.415  -2.322  -6.439
  114   HD12  LEU  16          HD12      LEU  16   3.305  -0.947  -7.550
  115   HD13  LEU  16          HD13      LEU  16   1.910  -2.030  -7.318
  116   HD21  LEU  16          HD21      LEU  16   1.895   0.988  -7.011
  117   HD22  LEU  16          HD22      LEU  16   1.025   1.109  -5.482
  118   HD23  LEU  16          HD23      LEU  16   0.472  -0.036  -6.723
  119    H    GLU  17           H        GLU  17   1.832  -2.718  -1.840
  120    HA   GLU  17           HA       GLU  17  -0.612  -4.096  -1.434
  121    HB2  GLU  17           HB2      GLU  17   1.836  -4.872  -1.085
  122    HB3  GLU  17           HB3      GLU  17   1.681  -4.183   0.540
  123    HG2  GLU  17           HG2      GLU  17  -0.387  -5.624   0.853
  124    HG3  GLU  17           HG3      GLU  17  -0.046  -6.364  -0.711
  125    H    ASN  18           H        ASN  18   0.769  -1.406   0.459
  126    HA   ASN  18           HA       ASN  18  -0.826  -1.605   2.776
  127    HB2  ASN  18           HB2      ASN  18   1.158  -0.150   2.495
  128    HB3  ASN  18           HB3      ASN  18   0.261   0.874   1.377
  129   HD21  ASN  18          HD21      ASN  18  -1.126   2.498   2.222
  130   HD22  ASN  18          HD22      ASN  18  -1.335   2.725   3.946
  131    H    TYR  19           H        TYR  19  -1.737  -0.442  -0.422
  132    HA   TYR  19           HA       TYR  19  -4.365   0.572   0.512
  133    HD1  TYR  19           HD2      TYR  19  -1.210   2.054  -0.379
  134    HD2  TYR  19           HD1      TYR  19  -5.227   3.292  -1.295
  135    HE1  TYR  19           HE2      TYR  19  -0.673   4.337   0.426
  136    HE2  TYR  19           HE1      TYR  19  -4.706   5.584  -0.490
  137    HH   TYR  19           HH       TYR  19  -1.470   6.475   0.776
  138    HB2  TYR  19           HB2      TYR  19  -2.776   0.783  -2.061
  139    HB3  TYR  19           HB3      TYR  19  -4.483   1.172  -1.996
  140    H    CYS  20           H        CYS  20  -3.282  -2.424   0.026
  141    HA   CYS  20           HA       CYS  20  -5.753  -3.427  -1.344
  142    HB2  CYS  20           HB2      CYS  20  -3.139  -4.853  -0.749
  143    HB3  CYS  20           HB3      CYS  20  -4.485  -5.482  -1.700
  144    H    ASN  21           H        ASN  21  -6.355  -5.693  -0.498
  145    HA   ASN  21           HA       ASN  21  -7.075  -5.533   2.325
  146    HB2  ASN  21           HB2      ASN  21  -8.416  -6.565   0.348
  147    HB3  ASN  21           HB3      ASN  21  -7.347  -7.950   0.515
  148   HD21  ASN  21          HD21      ASN  21  -7.281  -7.812   3.493
  149   HD22  ASN  21          HD22      ASN  21  -8.888  -8.378   3.981
  150    HA   PHE   1           HA       PHE   1  12.776  -3.585  -1.753
  151    HD1  PHE   1           HD1      PHE   1  15.274  -3.571  -1.791
  152    HD2  PHE   1           HD2      PHE   1  14.183  -5.711  -5.377
  153    HE1  PHE   1           HE1      PHE   1  17.093  -2.428  -3.030
  154    HE2  PHE   1           HE2      PHE   1  16.009  -4.564  -6.609
  155    HZ   PHE   1           HZ       PHE   1  17.454  -2.911  -5.446
  156    H1   PHE   1           H1       PHE   1  10.667  -4.439  -1.060
  157    H2   PHE   1           H2       PHE   1  11.852  -5.471  -0.597
  158    H3   PHE   1           H3       PHE   1  10.897  -5.838  -1.877
  159    HB2  PHE   1           HB2      PHE   1  13.857  -5.847  -1.864
  160    HB3  PHE   1           HB3      PHE   1  13.004  -6.151  -3.375
  161    H    VAL   2           H        VAL   2  13.209  -2.754  -4.070
  162    HA   VAL   2           HA       VAL   2  12.650  -1.834  -6.001
  163    HB   VAL   2           HB       VAL   2  10.074  -3.447  -6.109
  164   HG11  VAL   2          HG11      VAL   2  10.207  -2.969  -8.550
  165   HG12  VAL   2          HG12      VAL   2   9.953  -1.514  -7.585
  166   HG13  VAL   2          HG13      VAL   2  11.570  -1.876  -8.241
  167   HG21  VAL   2          HG21      VAL   2  12.813  -4.002  -7.336
  168   HG22  VAL   2          HG22      VAL   2  12.011  -4.971  -6.076
  169   HG23  VAL   2          HG23      VAL   2  11.323  -4.904  -7.693
  170    H    ASN   3           H        ASN   3  12.105   0.164  -6.265
  171    HA   ASN   3           HA       ASN   3   9.465   1.150  -5.602
  172    HB2  ASN   3           HB2      ASN   3  10.404   3.211  -4.421
  173    HB3  ASN   3           HB3      ASN   3  10.309   1.705  -3.517
  174   HD21  ASN   3          HD21      ASN   3  12.849   3.116  -5.750
  175   HD22  ASN   3          HD22      ASN   3  14.125   2.917  -4.565
  176    H    GLN   4           H        GLN   4   8.717   2.599  -7.009
  177    HA   GLN   4           HA       GLN   4  10.502   3.489  -9.245
  178    HB2  GLN   4           HB2      GLN   4   8.214   1.465  -9.267
  179    HB3  GLN   4           HB3      GLN   4   8.728   2.283 -10.731
  180    HG2  GLN   4           HG2      GLN   4  10.565   0.523  -9.036
  181    HG3  GLN   4           HG3      GLN   4   9.675  -0.009 -10.447
  182   HE21  GLN   4          HE21      GLN   4  10.105   1.312 -12.567
  183   HE22  GLN   4          HE22      GLN   4  11.771   1.832 -12.785
  184    H    HIS   5           H        HIS   5   9.322   4.753 -10.887
  185    HA   HIS   5           HA       HIS   5   6.955   6.257  -9.919
  186    HD1  HIS   5           HD1      HIS   5   7.498   8.950  -9.742
  187    HD2  HIS   5           HD2      HIS   5  10.692   7.708 -12.184
  188    HE1  HIS   5           HE1      HIS   5   9.372  10.629  -9.369
  189    HB2  HIS   5           HB2      HIS   5   8.511   6.392 -12.534
  190    HB3  HIS   5           HB3      HIS   5   7.072   7.325 -12.159
  191    H    LEU   6           H        LEU   6   4.959   5.630 -10.483
  192    HA   LEU   6           HA       LEU   6   4.423   3.758 -12.718
  193    HG   LEU   6           HG       LEU   6   5.900   2.224 -10.575
  194    HB2  LEU   6           HB2      LEU   6   3.774   3.316  -9.779
  195    HB3  LEU   6           HB3      LEU   6   2.906   2.480 -11.062
  196   HD11  LEU   6          HD11      LEU   6   5.311   0.017  -9.605
  197   HD12  LEU   6          HD12      LEU   6   3.590   0.436  -9.738
  198   HD13  LEU   6          HD13      LEU   6   4.653   1.370  -8.665
  199   HD21  LEU   6          HD21      LEU   6   5.669   0.213 -12.025
  200   HD22  LEU   6          HD22      LEU   6   5.247   1.681 -12.912
  201   HD23  LEU   6          HD23      LEU   6   3.967   0.609 -12.314
  202    H    CYS   7           H        CYS   7   2.657   4.381 -13.806
  203    HA   CYS   7           HA       CYS   7   0.624   6.170 -12.552
  204    HB2  CYS   7           HB2      CYS   7   2.037   6.605 -15.209
  205    HB3  CYS   7           HB3      CYS   7   0.705   7.571 -14.609
  206    H    GLY   8           H        GLY   8  -1.410   5.951 -13.407
  207    HA2  GLY   8           HA2      GLY   8  -3.211   5.149 -14.627
  208    HA3  GLY   8           HA3      GLY   8  -2.092   5.246 -15.982
  209    H    SER   9           H        SER   9  -2.247   3.483 -17.172
  210    HA   SER   9           HA       SER   9  -3.351   0.979 -16.401
  211    HG   SER   9           HG       SER   9  -1.394   1.881 -19.879
  212    HB2  SER   9           HB2      SER   9  -2.352   0.214 -18.575
  213    HB3  SER   9           HB3      SER   9  -3.373   1.658 -18.691
  214    H    HIS  10           H        HIS  10   0.114   1.964 -16.651
  215    HA   HIS  10           HA       HIS  10   1.083  -0.650 -15.852
  216    HD1  HIS  10           HD1      HIS  10   2.555  -1.503 -17.587
  217    HD2  HIS  10           HD2      HIS  10   3.011   2.603 -18.444
  218    HE1  HIS  10           HE1      HIS  10   3.095  -1.339 -20.065
  219    HB2  HIS  10           HB2      HIS  10   2.399   2.081 -15.970
  220    HB3  HIS  10           HB3      HIS  10   3.247   0.610 -15.488
  221    H    LEU  11           H        LEU  11   0.110   2.200 -13.943
  222    HA   LEU  11           HA       LEU  11   1.048   1.072 -11.432
  223    HG   LEU  11           HG       LEU  11  -1.499   2.238  -9.787
  224    HB2  LEU  11           HB2      LEU  11   0.586   3.454 -11.643
  225    HB3  LEU  11           HB3      LEU  11  -1.106   3.141 -12.035
  226   HD11  LEU  11          HD11      LEU  11   0.726   1.313  -9.216
  227   HD12  LEU  11          HD12      LEU  11   0.186   2.474  -8.003
  228   HD13  LEU  11          HD13      LEU  11   1.406   2.952  -9.205
  229   HD21  LEU  11          HD21      LEU  11  -1.303   4.336  -8.567
  230   HD22  LEU  11          HD22      LEU  11  -1.753   4.674 -10.250
  231   HD23  LEU  11          HD23      LEU  11  -0.081   4.933  -9.715
  232    H    VAL  12           H        VAL  12  -2.137   1.023 -13.094
  233    HA   VAL  12           HA       VAL  12  -3.425  -0.682 -11.202
  234    HB   VAL  12           HB       VAL  12  -3.933  -0.330 -14.181
  235   HG11  VAL  12          HG11      VAL  12  -6.196  -1.309 -13.754
  236   HG12  VAL  12          HG12      VAL  12  -4.907  -2.498 -13.582
  237   HG13  VAL  12          HG13      VAL  12  -5.660  -1.798 -12.131
  238   HG21  VAL  12          HG21      VAL  12  -5.420   0.727 -11.731
  239   HG22  VAL  12          HG22      VAL  12  -4.337   1.681 -12.758
  240   HG23  VAL  12          HG23      VAL  12  -5.839   1.040 -13.429
  241    H    GLU  13           H        GLU  13  -1.449  -1.531 -14.054
  242    HA   GLU  13           HA       GLU  13  -1.645  -4.357 -13.925
  243    HB2  GLU  13           HB2      GLU  13  -0.760  -3.053 -15.810
  244    HB3  GLU  13           HB3      GLU  13   0.599  -2.515 -14.820
  245    HG2  GLU  13           HG2      GLU  13   1.497  -4.786 -14.720
  246    HG3  GLU  13           HG3      GLU  13   0.085  -5.395 -15.597
  247    H    ALA  14           H        ALA  14   0.826  -2.163 -12.445
  248    HA   ALA  14           HA       ALA  14   2.285  -4.252 -11.120
  249    HB1  ALA  14           HB1      ALA  14   3.196  -2.003 -11.576
  250    HB2  ALA  14           HB2      ALA  14   2.037  -1.288 -10.434
  251    HB3  ALA  14           HB3      ALA  14   3.297  -2.386  -9.849
  252    H    LEU  15           H        LEU  15  -0.331  -2.123  -9.917
  253    HA   LEU  15           HA       LEU  15  -0.459  -3.117  -7.264
  254    HG   LEU  15           HG       LEU  15  -3.580  -2.670  -6.918
  255    HB2  LEU  15           HB2      LEU  15  -1.400  -0.993  -8.202
  256    HB3  LEU  15           HB3      LEU  15  -2.621  -1.930  -9.061
  257   HD11  LEU  15          HD11      LEU  15  -1.466  -0.881  -5.631
  258   HD12  LEU  15          HD12      LEU  15  -1.640  -2.643  -5.425
  259   HD13  LEU  15          HD13      LEU  15  -2.876  -1.555  -4.790
  260   HD21  LEU  15          HD21      LEU  15  -4.369  -0.587  -8.022
  261   HD22  LEU  15          HD22      LEU  15  -3.170   0.356  -7.104
  262   HD23  LEU  15          HD23      LEU  15  -4.495  -0.465  -6.261
  263    H    TYR  16           H        TYR  16  -2.256  -4.169 -10.201
  264    HA   TYR  16           HA       TYR  16  -3.616  -6.378  -8.996
  265    HD1  TYR  16           HD2      TYR  16  -5.636  -7.659 -10.369
  266    HD2  TYR  16           HD1      TYR  16  -2.162  -7.814 -12.923
  267    HE1  TYR  16           HE2      TYR  16  -6.278  -9.951 -11.109
  268    HE2  TYR  16           HE1      TYR  16  -2.801 -10.098 -13.662
  269    HH   TYR  16           HH       TYR  16  -4.320 -11.819 -13.459
  270    HB2  TYR  16           HB2      TYR  16  -4.305  -5.537 -11.149
  271    HB3  TYR  16           HB3      TYR  16  -2.711  -5.801 -11.832
  272    H    LEU  17           H        LEU  17  -0.325  -6.204 -10.424
  273    HA   LEU  17           HA       LEU  17   0.162  -9.039 -10.086
  274    HG   LEU  17           HG       LEU  17   0.551  -7.554 -12.492
  275    HB2  LEU  17           HB2      LEU  17   1.989  -6.647 -10.534
  276    HB3  LEU  17           HB3      LEU  17   2.618  -8.279 -10.374
  277   HD11  LEU  17          HD11      LEU  17   2.449  -7.455 -14.074
  278   HD12  LEU  17          HD12      LEU  17   3.586  -7.680 -12.727
  279   HD13  LEU  17          HD13      LEU  17   2.599  -6.208 -12.825
  280   HD21  LEU  17          HD21      LEU  17   2.428  -9.934 -12.182
  281   HD22  LEU  17          HD22      LEU  17   1.381  -9.619 -13.583
  282   HD23  LEU  17          HD23      LEU  17   0.663  -9.961 -12.006
  283    H    VAL  18           H        VAL  18   0.582  -6.342  -7.887
  284    HA   VAL  18           HA       VAL  18   1.922  -8.000  -5.854
  285    HB   VAL  18           HB       VAL  18   0.658  -5.242  -5.656
  286   HG11  VAL  18          HG11      VAL  18   0.676  -6.282  -3.393
  287   HG12  VAL  18          HG12      VAL  18   2.388  -6.694  -3.598
  288   HG13  VAL  18          HG13      VAL  18   1.865  -4.997  -3.517
  289   HG21  VAL  18          HG21      VAL  18   2.734  -5.353  -7.055
  290   HG22  VAL  18          HG22      VAL  18   3.017  -4.473  -5.542
  291   HG23  VAL  18          HG23      VAL  18   3.587  -6.143  -5.728
  292    H    CYS  19           H        CYS  19  -1.427  -6.922  -6.467
  293    HA   CYS  19           HA       CYS  19  -2.324  -8.295  -3.953
  294    HB2  CYS  19           HB2      CYS  19  -3.428  -5.865  -5.399
  295    HB3  CYS  19           HB3      CYS  19  -4.026  -6.523  -3.879
  296    H    GLY  20           H        GLY  20  -2.699  -8.836  -7.247
  297    HA2  GLY  20           HA2      GLY  20  -5.435  -8.738  -7.703
  298    HA3  GLY  20           HA3      GLY  20  -4.311  -9.768  -8.595
  299    H    GLU  21           H        GLU  21  -3.810 -11.349  -6.010
  300    HA   GLU  21           HA       GLU  21  -5.999 -13.266  -6.228
  301    HB2  GLU  21           HB2      GLU  21  -3.669 -13.032  -4.286
  302    HB3  GLU  21           HB3      GLU  21  -4.787 -14.395  -4.329
  303    HG2  GLU  21           HG2      GLU  21  -2.952 -13.558  -6.615
  304    HG3  GLU  21           HG3      GLU  21  -2.667 -14.877  -5.490
  305    H    ARG  22           H        ARG  22  -5.377 -10.480  -4.195
  306    HA   ARG  22           HA       ARG  22  -7.393 -11.260  -2.148
  307    HE   ARG  22           HE       ARG  22  -2.301 -11.130  -0.380
  308    HB2  ARG  22           HB2      ARG  22  -5.549  -8.850  -2.180
  309    HB3  ARG  22           HB3      ARG  22  -6.475  -9.512  -0.835
  310    HG2  ARG  22           HG2      ARG  22  -4.983 -11.548  -0.871
  311    HG3  ARG  22           HG3      ARG  22  -4.022 -10.749  -2.147
  312    HD2  ARG  22           HD2      ARG  22  -3.885  -8.734  -0.564
  313    HD3  ARG  22           HD3      ARG  22  -4.504  -9.806   0.708
  314   HH11  ARG  22          HH11      ARG  22  -2.839  -8.017   1.265
  315   HH12  ARG  22          HH12      ARG  22  -1.119  -7.884   1.654
  316   HH21  ARG  22          HH21      ARG  22  -0.105 -10.833   0.297
  317   HH22  ARG  22          HH22      ARG  22   0.293  -9.352   1.164
  318    H    GLY  23           H        GLY  23  -6.636  -8.720  -4.512
  319    HA2  GLY  23           HA2      GLY  23  -8.247  -7.257  -5.571
  320    HA3  GLY  23           HA3      GLY  23  -9.300  -7.360  -4.150
  321    H    PHE  24           H        PHE  24  -8.175  -5.041  -5.531
  322    HA   PHE  24           HA       PHE  24  -6.685  -3.688  -3.317
  323    HD1  PHE  24           HD1      PHE  24  -6.717  -1.450  -6.838
  324    HD2  PHE  24           HD2      PHE  24  -5.627  -5.625  -7.048
  325    HE1  PHE  24           HE1      PHE  24  -7.181  -1.447  -9.272
  326    HE2  PHE  24           HE2      PHE  24  -6.120  -5.614  -9.477
  327    HZ   PHE  24           HZ       PHE  24  -6.877  -3.531 -10.602
  328    HB2  PHE  24           HB2      PHE  24  -5.302  -2.620  -5.034
  329    HB3  PHE  24           HB3      PHE  24  -5.139  -4.355  -5.075
  330    H    PHE  25           H        PHE  25  -6.631  -1.351  -3.511
  331    HA   PHE  25           HA       PHE  25  -9.058  -0.125  -4.737
  332    HD1  PHE  25           HD2      PHE  25 -11.342   0.343  -3.173
  333    HD2  PHE  25           HD1      PHE  25  -8.263  -1.612  -0.872
  334    HE1  PHE  25           HE2      PHE  25 -13.037  -1.195  -2.198
  335    HE2  PHE  25           HE1      PHE  25  -9.962  -3.147   0.093
  336    HZ   PHE  25           HZ       PHE  25 -12.347  -2.941  -0.564
  337    HB2  PHE  25           HB2      PHE  25  -7.776   0.437  -2.044
  338    HB3  PHE  25           HB3      PHE  25  -9.065   1.399  -2.761
  339    H    TYR  26           H        TYR  26  -8.788   1.888  -5.641
  340    HA   TYR  26           HA       TYR  26  -5.984   2.822  -6.132
  341    HD1  TYR  26           HD2      TYR  26  -8.054   4.424  -9.299
  342    HD2  TYR  26           HD1      TYR  26  -4.655   1.810  -8.834
  343    HE1  TYR  26           HE2      TYR  26  -6.899   5.596 -11.160
  344    HE2  TYR  26           HE1      TYR  26  -3.501   2.985 -10.699
  345    HH   TYR  26           HH       TYR  26  -4.994   5.729 -12.450
  346    HB2  TYR  26           HB2      TYR  26  -6.803   1.245  -7.849
  347    HB3  TYR  26           HB3      TYR  26  -8.225   2.234  -8.110
  348    H    THR  27           H        THR  27  -5.761   4.960  -5.761
  349    HA   THR  27           HA       THR  27  -7.703   6.977  -6.483
  350    HB   THR  27           HB       THR  27  -8.846   6.160  -4.506
  351    HG1  THR  27           HG1      THR  27  -9.031   8.145  -3.560
  352   HG21  THR  27          HG21      THR  27  -6.362   6.920  -2.902
  353   HG22  THR  27          HG22      THR  27  -6.912   5.258  -3.198
  354   HG23  THR  27          HG23      THR  27  -7.918   6.363  -2.262
  355    HA   PRO  28           HA       PRO  28  -3.878   9.366  -5.875
  356    HB2  PRO  28           HB2      PRO  28  -4.711  11.842  -6.583
  357    HB3  PRO  28           HB3      PRO  28  -4.501  10.539  -7.787
  358    HG2  PRO  28           HG2      PRO  28  -7.071  11.449  -6.450
  359    HG3  PRO  28           HG3      PRO  28  -6.773  11.144  -8.193
  360    HD2  PRO  28           HD2      PRO  28  -7.914   9.288  -6.518
  361    HD3  PRO  28           HD3      PRO  28  -6.887   8.821  -7.902
  362    H    LYS  29           H        LYS  29  -6.982  10.083  -4.415
  363    HA   LYS  29           HA       LYS  29  -6.454  10.516  -1.794
  364    HB2  LYS  29           HB2      LYS  29  -6.404  12.976  -1.468
  365    HB3  LYS  29           HB3      LYS  29  -4.942  12.338  -2.170
  366    HG2  LYS  29           HG2      LYS  29  -5.960  13.050  -4.485
  367    HG3  LYS  29           HG3      LYS  29  -7.119  13.975  -3.524
  368    HD2  LYS  29           HD2      LYS  29  -5.231  15.201  -2.454
  369    HD3  LYS  29           HD3      LYS  29  -4.079  14.190  -3.348
  370    HE2  LYS  29           HE2      LYS  29  -5.169  15.032  -5.499
  371    HE3  LYS  29           HE3      LYS  29  -6.054  16.202  -4.507
  372    HZ1  LYS  29           HZ1      LYS  29  -3.875  17.057  -3.767
  373    HZ2  LYS  29           HZ2      LYS  29  -3.986  17.132  -5.399
  374    HZ3  LYS  29           HZ3      LYS  29  -3.095  15.949  -4.699
  375    H    THR  30           H        THR  30  -8.262  11.206  -0.604
  376    HA   THR  30           HA       THR  30 -10.830  10.885  -1.952
  377    HB   THR  30           HB       THR  30 -11.703  11.158   0.421
  378    HG1  THR  30           HG1      THR  30 -10.156  10.994   2.041
  379   HG21  THR  30          HG21      THR  30 -11.343   8.956  -0.641
  380   HG22  THR  30          HG22      THR  30 -10.958   8.910   1.089
  381   HG23  THR  30          HG23      THR  30  -9.645   8.967  -0.107
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -5.361   8.607  -2.524
    2    H2   GLY   1           H2       GLY   1  -6.244   7.353  -3.146
    3    H3   GLY   1           H3       GLY   1  -5.147   8.141  -4.070
    4    HA2  GLY   1           HA2      GLY   1  -3.338   7.391  -2.668
    5    HA3  GLY   1           HA3      GLY   1  -4.522   6.461  -1.732
    6    H    ILE   2           H        ILE   2  -3.082   4.542  -4.836
    7    HA   ILE   2           HA       ILE   2  -1.635   6.415  -3.019
    8    HB   ILE   2           HB       ILE   2  -1.296   3.911  -3.097
    9   HG12  ILE   2          HG12      ILE   2   1.246   5.493  -3.619
   10   HG13  ILE   2          HG13      ILE   2   0.348   5.500  -2.098
   11   HG21  ILE   2          HG21      ILE   2  -1.405   3.690  -5.599
   12   HG22  ILE   2          HG22      ILE   2   0.216   4.428  -5.679
   13   HG23  ILE   2          HG23      ILE   2  -0.032   2.879  -4.854
   14   HD11  ILE   2          HD11      ILE   2   1.718   3.099  -3.390
   15   HD12  ILE   2          HD12      ILE   2   2.228   3.979  -1.947
   16   HD13  ILE   2          HD13      ILE   2   0.731   3.025  -1.918
   17    H    VAL   3           H        VAL   3  -2.843   6.837  -5.990
   18    HA   VAL   3           HA       VAL   3  -0.811   7.329  -7.822
   19    HB   VAL   3           HB       VAL   3  -3.318   9.039  -7.549
   20   HG11  VAL   3          HG11      VAL   3  -1.749   9.943  -9.223
   21   HG12  VAL   3          HG12      VAL   3  -1.613   8.343  -9.981
   22   HG13  VAL   3          HG13      VAL   3  -3.149   9.232 -10.028
   23   HG21  VAL   3          HG21      VAL   3  -4.427   7.432  -9.066
   24   HG22  VAL   3          HG22      VAL   3  -2.993   6.396  -9.024
   25   HG23  VAL   3          HG23      VAL   3  -3.956   6.643  -7.559
   26    H    GLU   4           H        GLU   4  -2.034   9.609  -5.353
   27    HA   GLU   4           HA       GLU   4  -0.451  11.835  -6.287
   28    HB2  GLU   4           HB2      GLU   4  -1.362  13.017  -4.384
   29    HB3  GLU   4           HB3      GLU   4  -2.646  12.140  -5.189
   30    HG2  GLU   4           HG2      GLU   4  -1.285  10.980  -2.725
   31    HG3  GLU   4           HG3      GLU   4  -2.519  12.219  -2.591
   32    H    GLN   5           H        GLN   5   0.525   9.104  -4.626
   33    HA   GLN   5           HA       GLN   5   2.963  10.509  -3.596
   34    HB2  GLN   5           HB2      GLN   5   1.881   9.117  -1.895
   35    HB3  GLN   5           HB3      GLN   5   1.775   7.759  -3.006
   36    HG2  GLN   5           HG2      GLN   5   3.579   7.391  -1.414
   37    HG3  GLN   5           HG3      GLN   5   4.202   7.505  -3.046
   38   HE21  GLN   5          HE21      GLN   5   6.329   8.204  -2.539
   39   HE22  GLN   5          HE22      GLN   5   6.638   9.717  -1.683
   40    H    CYS   6           H        CYS   6   1.878   7.606  -5.468
   41    HA   CYS   6           HA       CYS   6   4.619   7.062  -6.190
   42    HB2  CYS   6           HB2      CYS   6   2.532   5.519  -5.735
   43    HB3  CYS   6           HB3      CYS   6   2.266   5.690  -7.466
   44    H    CYS   7           H        CYS   7   2.223   8.957  -7.788
   45    HA   CYS   7           HA       CYS   7   3.404   8.572 -10.484
   46    HB2  CYS   7           HB2      CYS   7   0.931   8.820 -10.040
   47    HB3  CYS   7           HB3      CYS   7   1.229  10.491  -9.565
   48    H    THR   8           H        THR   8   3.310  11.034  -7.932
   49    HA   THR   8           HA       THR   8   4.893  13.031  -9.429
   50    HB   THR   8           HB       THR   8   4.576  14.287  -7.215
   51    HG1  THR   8           HG1      THR   8   2.942  13.373  -5.871
   52   HG21  THR   8          HG21      THR   8   2.219  14.805  -7.644
   53   HG22  THR   8          HG22      THR   8   2.043  13.336  -8.636
   54   HG23  THR   8          HG23      THR   8   3.100  14.657  -9.170
   55    H    SER   9           H        SER   9   5.189  11.203  -6.389
   56    HA   SER   9           HA       SER   9   8.190  11.302  -6.568
   57    HG   SER   9           HG       SER   9   8.560  11.275  -3.160
   58    HB2  SER   9           HB2      SER   9   7.114  12.258  -4.521
   59    HB3  SER   9           HB3      SER   9   6.447  10.658  -4.169
   60    H    ILE  10           H        ILE  10   8.245   8.952  -4.764
   61    HA   ILE  10           HA       ILE  10   7.593   6.789  -6.750
   62    HB   ILE  10           HB       ILE  10   9.481   5.543  -5.827
   63   HG12  ILE  10          HG12      ILE  10  10.202   8.051  -4.246
   64   HG13  ILE  10          HG13      ILE  10   9.539   6.568  -3.553
   65   HG21  ILE  10          HG21      ILE  10  10.384   8.275  -6.792
   66   HG22  ILE  10          HG22      ILE  10  11.228   6.727  -6.980
   67   HG23  ILE  10          HG23      ILE  10   9.709   6.996  -7.831
   68   HD11  ILE  10          HD11      ILE  10  11.540   5.314  -4.389
   69   HD12  ILE  10          HD12      ILE  10  12.249   6.863  -4.910
   70   HD13  ILE  10          HD13      ILE  10  11.911   6.573  -3.198
   71    H    CYS  11           H        CYS  11   7.091   4.692  -5.923
   72    HA   CYS  11           HA       CYS  11   6.652   4.455  -3.025
   73    HB2  CYS  11           HB2      CYS  11   4.499   3.524  -3.098
   74    HB3  CYS  11           HB3      CYS  11   4.416   5.059  -3.951
   75    H    SER  12           H        SER  12   6.370   2.205  -2.320
   76    HA   SER  12           HA       SER  12   8.038   0.361  -4.002
   77    HG   SER  12           HG       SER  12   9.744  -0.872  -1.350
   78    HB2  SER  12           HB2      SER  12   8.880   1.161  -1.720
   79    HB3  SER  12           HB3      SER  12   7.590   0.157  -1.026
   80    H    LEU  13           H        LEU  13   7.670  -1.933  -3.735
   81    HA   LEU  13           HA       LEU  13   4.946  -2.717  -4.286
   82    HG   LEU  13           HG       LEU  13   6.039  -3.653  -6.249
   83    HB2  LEU  13           HB2      LEU  13   7.466  -4.327  -3.632
   84    HB3  LEU  13           HB3      LEU  13   5.916  -5.015  -4.082
   85   HD11  LEU  13          HD11      LEU  13   7.862  -2.079  -5.833
   86   HD12  LEU  13          HD12      LEU  13   8.373  -3.198  -7.081
   87   HD13  LEU  13          HD13      LEU  13   8.966  -3.407  -5.417
   88   HD21  LEU  13          HD21      LEU  13   6.369  -6.098  -6.112
   89   HD22  LEU  13          HD22      LEU  13   8.085  -5.855  -5.741
   90   HD23  LEU  13          HD23      LEU  13   7.438  -5.384  -7.327
   91    H    TYR  14           H        TYR  14   6.938  -2.704  -1.337
   92    HA   TYR  14           HA       TYR  14   5.114  -4.141   0.329
   93    HD1  TYR  14           HD2      TYR  14   6.562  -5.479   2.181
   94    HD2  TYR  14           HD1      TYR  14   9.139  -2.919  -0.143
   95    HE1  TYR  14           HE2      TYR  14   8.204  -7.325   1.984
   96    HE2  TYR  14           HE1      TYR  14  10.791  -4.768  -0.349
   97    HH   TYR  14           HH       TYR  14  10.230  -8.004   1.121
   98    HB2  TYR  14           HB2      TYR  14   7.193  -1.994   0.929
   99    HB3  TYR  14           HB3      TYR  14   6.349  -2.907   2.155
  100    H    GLN  15           H        GLN  15   5.019  -0.852  -0.844
  101    HA   GLN  15           HA       GLN  15   2.890   0.015   1.036
  102    HB2  GLN  15           HB2      GLN  15   4.124   1.394  -1.383
  103    HB3  GLN  15           HB3      GLN  15   2.895   2.081  -0.347
  104    HG2  GLN  15           HG2      GLN  15   4.396   2.004   1.596
  105    HG3  GLN  15           HG3      GLN  15   5.650   1.211   0.636
  106   HE21  GLN  15          HE21      GLN  15   4.408   4.318   1.580
  107   HE22  GLN  15          HE22      GLN  15   5.388   5.241   0.449
  108    H    LEU  16           H        LEU  16   3.207  -0.968  -2.434
  109    HA   LEU  16           HA       LEU  16   0.395  -0.817  -3.023
  110    HG   LEU  16           HG       LEU  16   3.179  -0.410  -4.585
  111    HB2  LEU  16           HB2      LEU  16   2.504  -2.729  -4.105
  112    HB3  LEU  16           HB3      LEU  16   0.923  -2.440  -4.817
  113   HD11  LEU  16          HD11      LEU  16   3.286  -0.588  -7.036
  114   HD12  LEU  16          HD12      LEU  16   2.005  -1.820  -7.012
  115   HD13  LEU  16          HD13      LEU  16   3.584  -2.159  -6.275
  116   HD21  LEU  16          HD21      LEU  16   1.783   1.056  -5.995
  117   HD22  LEU  16          HD22      LEU  16   1.023   0.758  -4.434
  118   HD23  LEU  16          HD23      LEU  16   0.443  -0.101  -5.878
  119    H    GLU  17           H        GLU  17   2.306  -3.419  -1.513
  120    HA   GLU  17           HA       GLU  17   0.173  -5.261  -1.125
  121    HB2  GLU  17           HB2      GLU  17   2.681  -5.613  -0.930
  122    HB3  GLU  17           HB3      GLU  17   2.606  -4.860   0.664
  123    HG2  GLU  17           HG2      GLU  17   1.058  -6.649   1.422
  124    HG3  GLU  17           HG3      GLU  17   1.058  -7.342  -0.206
  125    H    ASN  18           H        ASN  18   0.812  -2.238   0.562
  126    HA   ASN  18           HA       ASN  18  -0.941  -2.897   2.843
  127    HB2  ASN  18           HB2      ASN  18   1.050  -1.468   3.133
  128    HB3  ASN  18           HB3      ASN  18   0.372  -0.276   2.025
  129   HD21  ASN  18          HD21      ASN  18  -1.101   1.260   2.837
  130   HD22  ASN  18          HD22      ASN  18  -1.674   1.210   4.495
  131    H    TYR  19           H        TYR  19  -1.206  -1.281  -0.318
  132    HA   TYR  19           HA       TYR  19  -3.955  -0.354   0.160
  133    HD1  TYR  19           HD2      TYR  19  -0.844   1.400  -0.646
  134    HD2  TYR  19           HD1      TYR  19  -4.951   1.868  -1.835
  135    HE1  TYR  19           HE2      TYR  19  -0.759   3.778   0.048
  136    HE2  TYR  19           HE1      TYR  19  -4.883   4.244  -1.134
  137    HH   TYR  19           HH       TYR  19  -1.924   5.763   0.224
  138    HB2  TYR  19           HB2      TYR  19  -2.023  -0.302  -2.150
  139    HB3  TYR  19           HB3      TYR  19  -3.739  -0.095  -2.457
  140    H    CYS  20           H        CYS  20  -2.481  -3.294  -1.022
  141    HA   CYS  20           HA       CYS  20  -4.883  -4.671  -1.880
  142    HB2  CYS  20           HB2      CYS  20  -2.415  -5.373  -2.124
  143    HB3  CYS  20           HB3      CYS  20  -2.493  -5.784  -0.405
  144    H    ASN  21           H        ASN  21  -6.353  -5.930  -0.647
  145    HA   ASN  21           HA       ASN  21  -6.350  -5.431   2.291
  146    HB2  ASN  21           HB2      ASN  21  -8.664  -6.201   2.291
  147    HB3  ASN  21           HB3      ASN  21  -8.408  -4.794   1.264
  148   HD21  ASN  21          HD21      ASN  21  -7.799  -8.185   0.331
  149   HD22  ASN  21          HD22      ASN  21  -9.063  -8.215  -0.906
  150    HA   PHE   1           HA       PHE   1  12.248  -5.347  -8.554
  151    HD1  PHE   1           HD2      PHE   1   9.934  -5.885  -9.839
  152    HD2  PHE   1           HD1      PHE   1  10.050  -8.419  -6.335
  153    HE1  PHE   1           HE2      PHE   1   8.977  -7.756 -11.154
  154    HE2  PHE   1           HE1      PHE   1   9.064 -10.272  -7.662
  155    HZ   PHE   1           HZ       PHE   1   8.540  -9.951 -10.069
  156    H1   PHE   1           H1       PHE   1  13.956  -6.621  -7.499
  157    H2   PHE   1           H2       PHE   1  12.664  -7.586  -7.785
  158    H3   PHE   1           H3       PHE   1  12.969  -7.044  -6.265
  159    HB2  PHE   1           HB2      PHE   1  10.556  -6.081  -6.134
  160    HB3  PHE   1           HB3      PHE   1  10.094  -4.979  -7.416
  161    H    VAL   2           H        VAL   2  11.580  -3.097  -7.815
  162    HA   VAL   2           HA       VAL   2  12.850  -2.125  -5.328
  163    HB   VAL   2           HB       VAL   2  13.999  -0.275  -6.510
  164   HG11  VAL   2          HG11      VAL   2  15.057  -2.973  -7.423
  165   HG12  VAL   2          HG12      VAL   2  15.973  -1.471  -7.209
  166   HG13  VAL   2          HG13      VAL   2  15.272  -2.274  -5.798
  167   HG21  VAL   2          HG21      VAL   2  14.503  -0.394  -8.912
  168   HG22  VAL   2          HG22      VAL   2  13.457  -1.820  -9.088
  169   HG23  VAL   2          HG23      VAL   2  12.765  -0.247  -8.647
  170    H    ASN   3           H        ASN   3  12.355   0.166  -4.925
  171    HA   ASN   3           HA       ASN   3   9.609   0.897  -5.452
  172    HB2  ASN   3           HB2      ASN   3  10.281   3.051  -4.301
  173    HB3  ASN   3           HB3      ASN   3  10.429   1.565  -3.372
  174   HD21  ASN   3          HD21      ASN   3  12.851   2.923  -5.766
  175   HD22  ASN   3          HD22      ASN   3  14.089   3.085  -4.531
  176    H    GLN   4           H        GLN   4   8.768   2.541  -6.719
  177    HA   GLN   4           HA       GLN   4  10.469   3.470  -8.999
  178    HB2  GLN   4           HB2      GLN   4   8.131   1.520  -9.016
  179    HB3  GLN   4           HB3      GLN   4   8.563   2.438 -10.460
  180    HG2  GLN   4           HG2      GLN   4  10.751   1.416 -10.591
  181    HG3  GLN   4           HG3      GLN   4  10.561   0.654  -9.022
  182   HE21  GLN   4          HE21      GLN   4   9.235  -1.224  -8.781
  183   HE22  GLN   4          HE22      GLN   4   8.625  -2.078 -10.204
  184    H    HIS   5           H        HIS   5   9.328   4.894 -10.481
  185    HA   HIS   5           HA       HIS   5   7.028   6.428  -9.380
  186    HD1  HIS   5           HD1      HIS   5   7.903   9.176  -9.099
  187    HD2  HIS   5           HD2      HIS   5  10.888   7.565 -11.584
  188    HE1  HIS   5           HE1      HIS   5  10.011  10.526  -8.638
  189    HB2  HIS   5           HB2      HIS   5   8.508   6.684 -12.032
  190    HB3  HIS   5           HB3      HIS   5   7.202   7.713 -11.478
  191    H    LEU   6           H        LEU   6   4.983   5.882  -9.998
  192    HA   LEU   6           HA       LEU   6   4.443   4.179 -12.356
  193    HG   LEU   6           HG       LEU   6   5.989   2.543 -10.234
  194    HB2  LEU   6           HB2      LEU   6   3.760   3.463  -9.482
  195    HB3  LEU   6           HB3      LEU   6   3.013   2.696 -10.867
  196   HD11  LEU   6          HD11      LEU   6   4.699   1.507  -8.445
  197   HD12  LEU   6          HD12      LEU   6   5.478   0.254  -9.427
  198   HD13  LEU   6          HD13      LEU   6   3.740   0.588  -9.622
  199   HD21  LEU   6          HD21      LEU   6   5.426   2.133 -12.636
  200   HD22  LEU   6          HD22      LEU   6   4.218   0.927 -12.144
  201   HD23  LEU   6          HD23      LEU   6   5.946   0.647 -11.831
  202    H    CYS   7           H        CYS   7   2.432   4.660 -13.235
  203    HA   CYS   7           HA       CYS   7   0.489   6.191 -11.645
  204    HB2  CYS   7           HB2      CYS   7   2.300   7.718 -12.704
  205    HB3  CYS   7           HB3      CYS   7   1.479   7.419 -14.227
  206    H    GLY   8           H        GLY   8  -1.515   6.446 -12.629
  207    HA2  GLY   8           HA2      GLY   8  -3.431   5.683 -13.706
  208    HA3  GLY   8           HA3      GLY   8  -2.395   5.731 -15.135
  209    H    SER   9           H        SER   9  -2.751   3.961 -16.281
  210    HA   SER   9           HA       SER   9  -3.812   1.497 -15.360
  211    HG   SER   9           HG       SER   9  -2.211   2.288 -19.037
  212    HB2  SER   9           HB2      SER   9  -3.101   0.682 -17.618
  213    HB3  SER   9           HB3      SER   9  -4.064   2.171 -17.645
  214    H    HIS  10           H        HIS  10  -0.365   2.428 -15.908
  215    HA   HIS  10           HA       HIS  10   0.607  -0.240 -15.323
  216    HD1  HIS  10           HD1      HIS  10   1.920  -1.056 -17.202
  217    HD2  HIS  10           HD2      HIS  10   2.312   3.077 -17.976
  218    HE1  HIS  10           HE1      HIS  10   2.197  -0.816 -19.720
  219    HB2  HIS  10           HB2      HIS  10   1.965   2.472 -15.462
  220    HB3  HIS  10           HB3      HIS  10   2.828   0.973 -15.120
  221    H    LEU  11           H        LEU  11  -0.118   2.533 -13.221
  222    HA   LEU  11           HA       LEU  11   1.056   1.298 -10.853
  223    HG   LEU  11           HG       LEU  11  -1.279   2.628  -8.933
  224    HB2  LEU  11           HB2      LEU  11   0.694   3.693 -10.973
  225    HB3  LEU  11           HB3      LEU  11  -1.042   3.485 -11.205
  226   HD11  LEU  11          HD11      LEU  11   1.705   3.124  -8.591
  227   HD12  LEU  11          HD12      LEU  11   0.932   1.523  -8.608
  228   HD13  LEU  11          HD13      LEU  11   0.568   2.665  -7.319
  229   HD21  LEU  11          HD21      LEU  11   0.392   5.177  -8.946
  230   HD22  LEU  11          HD22      LEU  11  -0.889   4.733  -7.793
  231   HD23  LEU  11          HD23      LEU  11  -1.290   5.094  -9.476
  232    H    VAL  12           H        VAL  12  -2.266   1.420 -12.209
  233    HA   VAL  12           HA       VAL  12  -3.433  -0.307 -10.230
  234    HB   VAL  12           HB       VAL  12  -4.229   0.207 -13.119
  235   HG11  VAL  12          HG11      VAL  12  -6.474  -0.685 -12.532
  236   HG12  VAL  12          HG12      VAL  12  -5.248  -1.948 -12.500
  237   HG13  VAL  12          HG13      VAL  12  -5.833  -1.243 -10.970
  238   HG21  VAL  12          HG21      VAL  12  -4.361   2.155 -11.573
  239   HG22  VAL  12          HG22      VAL  12  -5.958   1.649 -12.114
  240   HG23  VAL  12          HG23      VAL  12  -5.403   1.216 -10.483
  241    H    GLU  13           H        GLU  13  -1.776  -1.098 -13.291
  242    HA   GLU  13           HA       GLU  13  -2.066  -3.924 -13.265
  243    HB2  GLU  13           HB2      GLU  13  -1.321  -2.608 -15.172
  244    HB3  GLU  13           HB3      GLU  13   0.117  -2.088 -14.303
  245    HG2  GLU  13           HG2      GLU  13   1.025  -4.357 -14.342
  246    HG3  GLU  13           HG3      GLU  13  -0.465  -4.953 -15.097
  247    H    ALA  14           H        ALA  14   0.621  -1.873 -11.956
  248    HA   ALA  14           HA       ALA  14   2.122  -4.041 -10.857
  249    HB1  ALA  14           HB1      ALA  14   3.278  -2.261  -9.581
  250    HB2  ALA  14           HB2      ALA  14   3.040  -1.791 -11.278
  251    HB3  ALA  14           HB3      ALA  14   1.993  -1.113 -10.007
  252    H    LEU  15           H        LEU  15  -0.326  -1.924  -9.328
  253    HA   LEU  15           HA       LEU  15  -0.287  -3.057  -6.723
  254    HG   LEU  15           HG       LEU  15  -3.538  -2.628  -6.348
  255    HB2  LEU  15           HB2      LEU  15  -1.269  -0.892  -7.380
  256    HB3  LEU  15           HB3      LEU  15  -2.501  -1.706  -8.326
  257   HD11  LEU  15          HD11      LEU  15  -2.810  -2.016  -4.061
  258   HD12  LEU  15          HD12      LEU  15  -1.335  -1.290  -4.730
  259   HD13  LEU  15          HD13      LEU  15  -1.624  -3.045  -4.871
  260   HD21  LEU  15          HD21      LEU  15  -4.128  -0.324  -7.063
  261   HD22  LEU  15          HD22      LEU  15  -2.866   0.339  -5.999
  262   HD23  LEU  15          HD23      LEU  15  -4.268  -0.499  -5.302
  263    H    TYR  16           H        TYR  16  -2.382  -3.898  -9.524
  264    HA   TYR  16           HA       TYR  16  -3.696  -6.125  -8.347
  265    HD1  TYR  16           HD1      TYR  16  -5.666  -7.418  -9.462
  266    HD2  TYR  16           HD2      TYR  16  -2.668  -7.358 -12.564
  267    HE1  TYR  16           HE1      TYR  16  -6.400  -9.668 -10.212
  268    HE2  TYR  16           HE2      TYR  16  -3.404  -9.603 -13.322
  269    HH   TYR  16           HH       TYR  16  -4.864 -11.357 -12.976
  270    HB2  TYR  16           HB2      TYR  16  -4.492  -5.195 -10.421
  271    HB3  TYR  16           HB3      TYR  16  -2.952  -5.469 -11.210
  272    H    LEU  17           H        LEU  17  -0.582  -6.046 -10.123
  273    HA   LEU  17           HA       LEU  17  -0.167  -8.902  -9.935
  274    HG   LEU  17           HG       LEU  17  -0.045  -7.229 -12.304
  275    HB2  LEU  17           HB2      LEU  17   1.688  -6.569 -10.538
  276    HB3  LEU  17           HB3      LEU  17   2.241  -8.239 -10.560
  277   HD11  LEU  17          HD11      LEU  17   2.070  -6.069 -12.844
  278   HD12  LEU  17          HD12      LEU  17   1.610  -7.189 -14.136
  279   HD13  LEU  17          HD13      LEU  17   2.901  -7.628 -12.995
  280   HD21  LEU  17          HD21      LEU  17   0.420  -9.282 -13.621
  281   HD22  LEU  17          HD22      LEU  17  -0.138  -9.660 -11.991
  282   HD23  LEU  17          HD23      LEU  17   1.591  -9.800 -12.389
  283    H    VAL  18           H        VAL  18   0.854  -6.274  -7.820
  284    HA   VAL  18           HA       VAL  18   2.369  -7.981  -6.002
  285    HB   VAL  18           HB       VAL  18   1.126  -5.229  -5.686
  286   HG11  VAL  18          HG11      VAL  18   2.737  -6.766  -3.590
  287   HG12  VAL  18          HG12      VAL  18   2.401  -5.026  -3.552
  288   HG13  VAL  18          HG13      VAL  18   1.067  -6.166  -3.427
  289   HG21  VAL  18          HG21      VAL  18   3.485  -4.506  -5.633
  290   HG22  VAL  18          HG22      VAL  18   4.017  -6.197  -5.741
  291   HG23  VAL  18          HG23      VAL  18   3.185  -5.446  -7.106
  292    H    CYS  19           H        CYS  19  -1.028  -6.854  -6.063
  293    HA   CYS  19           HA       CYS  19  -1.672  -8.062  -3.511
  294    HB2  CYS  19           HB2      CYS  19  -2.603  -5.956  -4.452
  295    HB3  CYS  19           HB3      CYS  19  -3.419  -6.880  -5.713
  296    H    GLY  20           H        GLY  20  -2.042  -9.131  -6.847
  297    HA2  GLY  20           HA2      GLY  20  -2.767 -11.136  -7.768
  298    HA3  GLY  20           HA3      GLY  20  -2.819 -11.840  -6.141
  299    H    GLU  21           H        GLU  21  -4.753 -12.877  -6.457
  300    HA   GLU  21           HA       GLU  21  -7.129 -11.692  -7.513
  301    HB2  GLU  21           HB2      GLU  21  -6.437 -14.124  -7.454
  302    HB3  GLU  21           HB3      GLU  21  -6.862 -14.157  -5.739
  303    HG2  GLU  21           HG2      GLU  21  -9.207 -13.689  -6.289
  304    HG3  GLU  21           HG3      GLU  21  -8.787 -13.437  -7.990
  305    H    ARG  22           H        ARG  22  -5.740 -11.297  -4.386
  306    HA   ARG  22           HA       ARG  22  -7.926 -11.383  -2.634
  307    HE   ARG  22           HE       ARG  22  -5.146  -9.767   0.500
  308    HB2  ARG  22           HB2      ARG  22  -5.431  -9.639  -2.569
  309    HB3  ARG  22           HB3      ARG  22  -6.549  -9.828  -1.220
  310    HG2  ARG  22           HG2      ARG  22  -6.056 -12.247  -1.121
  311    HG3  ARG  22           HG3      ARG  22  -4.983 -12.104  -2.517
  312    HD2  ARG  22           HD2      ARG  22  -3.610 -12.139  -0.561
  313    HD3  ARG  22           HD3      ARG  22  -3.540 -10.520  -1.240
  314   HH11  ARG  22          HH12      ARG  22  -3.481 -12.809   1.263
  315   HH12  ARG  22          HH11      ARG  22  -3.729 -12.583   2.964
  316   HH21  ARG  22          HH21      ARG  22  -5.385  -9.522   2.608
  317   HH22  ARG  22          HH22      ARG  22  -4.821 -10.733   3.737
  318    H    GLY  23           H        GLY  23  -6.917  -8.660  -4.691
  319    HA2  GLY  23           HA2      GLY  23  -8.266  -6.864  -5.419
  320    HA3  GLY  23           HA3      GLY  23  -9.447  -7.193  -4.143
  321    H    PHE  24           H        PHE  24  -8.269  -4.683  -4.965
  322    HA   PHE  24           HA       PHE  24  -6.914  -3.759  -2.469
  323    HD1  PHE  24           HD2      PHE  24  -6.639  -1.169  -5.842
  324    HD2  PHE  24           HD1      PHE  24  -5.628  -5.352  -6.154
  325    HE1  PHE  24           HE2      PHE  24  -6.968  -1.067  -8.297
  326    HE2  PHE  24           HE1      PHE  24  -6.007  -5.251  -8.601
  327    HZ   PHE  24           HZ       PHE  24  -6.648  -3.110  -9.685
  328    HB2  PHE  24           HB2      PHE  24  -5.435  -2.409  -3.975
  329    HB3  PHE  24           HB3      PHE  24  -5.186  -4.136  -4.105
  330    H    PHE  25           H        PHE  25  -6.942  -1.498  -2.111
  331    HA   PHE  25           HA       PHE  25  -9.270  -0.006  -3.185
  332    HD1  PHE  25           HD2      PHE  25 -10.950   1.233  -1.164
  333    HD2  PHE  25           HD1      PHE  25  -7.051   3.042  -1.475
  334    HE1  PHE  25           HE2      PHE  25 -11.989   3.495  -1.107
  335    HE2  PHE  25           HE1      PHE  25  -8.090   5.297  -1.409
  336    HZ   PHE  25           HZ       PHE  25 -10.554   5.527  -1.224
  337    HB2  PHE  25           HB2      PHE  25  -8.880  -0.062  -0.732
  338    HB3  PHE  25           HB3      PHE  25  -7.291   0.653  -0.969
  339    H    TYR  26           H        TYR  26  -8.997   1.886  -4.347
  340    HA   TYR  26           HA       TYR  26  -6.391   3.049  -4.943
  341    HD1  TYR  26           HD2      TYR  26  -4.347   2.517  -7.088
  342    HD2  TYR  26           HD1      TYR  26  -8.278   3.235  -8.713
  343    HE1  TYR  26           HE2      TYR  26  -3.347   3.869  -8.923
  344    HE2  TYR  26           HE1      TYR  26  -7.280   4.613 -10.531
  345    HH   TYR  26           HH       TYR  26  -3.745   5.100 -10.819
  346    HB2  TYR  26           HB2      TYR  26  -6.305   1.129  -6.444
  347    HB3  TYR  26           HB3      TYR  26  -7.904   1.482  -7.066
  348    H    THR  27           H        THR  27  -6.704   5.179  -5.117
  349    HA   THR  27           HA       THR  27  -8.912   6.261  -6.733
  350    HB   THR  27           HB       THR  27  -9.201   8.115  -5.054
  351    HG1  THR  27           HG1      THR  27  -8.668   7.537  -2.889
  352   HG21  THR  27          HG21      THR  27 -10.881   6.289  -5.302
  353   HG22  THR  27          HG22      THR  27 -10.797   6.943  -3.660
  354   HG23  THR  27          HG23      THR  27 -10.041   5.382  -4.017
  355    HA   PRO  28           HA       PRO  28  -5.550   9.116  -7.851
  356    HB2  PRO  28           HB2      PRO  28  -6.858  10.807  -9.489
  357    HB3  PRO  28           HB3      PRO  28  -6.625   9.094  -9.946
  358    HG2  PRO  28           HG2      PRO  28  -9.081  10.346  -8.664
  359    HG3  PRO  28           HG3      PRO  28  -9.004   9.309 -10.127
  360    HD2  PRO  28           HD2      PRO  28  -9.552   8.328  -7.609
  361    HD3  PRO  28           HD3      PRO  28  -8.673   7.372  -8.844
  362    H    LYS  29           H        LYS  29  -5.364  11.660  -7.830
  363    HA   LYS  29           HA       LYS  29  -6.071  12.685  -5.240
  364    HB2  LYS  29           HB2      LYS  29  -4.076  13.443  -6.449
  365    HB3  LYS  29           HB3      LYS  29  -5.062  14.034  -7.778
  366    HG2  LYS  29           HG2      LYS  29  -4.299  15.892  -6.439
  367    HG3  LYS  29           HG3      LYS  29  -6.044  15.765  -6.355
  368    HD2  LYS  29           HD2      LYS  29  -5.726  14.584  -4.067
  369    HD3  LYS  29           HD3      LYS  29  -4.009  14.947  -4.237
  370    HE2  LYS  29           HE2      LYS  29  -4.893  16.689  -2.892
  371    HE3  LYS  29           HE3      LYS  29  -4.651  17.397  -4.495
  372    HZ1  LYS  29           HZ1      LYS  29  -7.079  17.043  -4.898
  373    HZ2  LYS  29           HZ2      LYS  29  -6.818  18.007  -3.596
  374    HZ3  LYS  29           HZ3      LYS  29  -7.261  16.444  -3.404
  375    H    THR  30           H        THR  30  -7.721  13.898  -4.528
  376    HA   THR  30           HA       THR  30 -10.230  14.080  -5.891
  377    HB   THR  30           HB       THR  30 -10.802  15.605  -3.919
  378    HG1  THR  30           HG1      THR  30  -9.287  15.514  -2.231
  379   HG21  THR  30          HG21      THR  30  -9.648  12.839  -3.319
  380   HG22  THR  30          HG22      THR  30 -11.278  13.164  -3.958
  381   HG23  THR  30          HG23      THR  30 -10.832  13.730  -2.337
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -3.319  11.073  -2.203
    2    H2   GLY   1           H2       GLY   1  -2.806  10.167  -0.929
    3    H3   GLY   1           H3       GLY   1  -4.380  10.627  -1.050
    4    HA2  GLY   1           HA2      GLY   1  -4.320   8.362  -1.663
    5    HA3  GLY   1           HA3      GLY   1  -4.606   9.332  -3.117
    6    H    ILE   2           H        ILE   2  -3.570   6.697  -3.104
    7    HA   ILE   2           HA       ILE   2  -0.701   6.627  -3.053
    8    HB   ILE   2           HB       ILE   2  -2.097   4.685  -2.600
    9   HG12  ILE   2          HG12      ILE   2  -0.844   2.954  -3.771
   10   HG13  ILE   2          HG13      ILE   2  -0.254   4.121  -4.942
   11   HG21  ILE   2          HG21      ILE   2  -3.858   4.969  -4.326
   12   HG22  ILE   2          HG22      ILE   2  -2.684   4.532  -5.587
   13   HG23  ILE   2          HG23      ILE   2  -3.151   3.357  -4.347
   14   HD11  ILE   2          HD11      ILE   2   1.075   5.247  -3.215
   15   HD12  ILE   2          HD12      ILE   2   0.341   4.221  -1.954
   16   HD13  ILE   2          HD13      ILE   2   1.406   3.511  -3.189
   17    H    VAL   3           H        VAL   3  -2.897   7.061  -5.857
   18    HA   VAL   3           HA       VAL   3  -0.678   7.055  -7.736
   19    HB   VAL   3           HB       VAL   3  -3.440   8.231  -8.008
   20   HG11  VAL   3          HG11      VAL   3  -1.944   9.362  -9.624
   21   HG12  VAL   3          HG12      VAL   3  -1.311   7.792 -10.151
   22   HG13  VAL   3          HG13      VAL   3  -3.007   8.233 -10.466
   23   HG21  VAL   3          HG21      VAL   3  -3.387   5.755  -7.794
   24   HG22  VAL   3          HG22      VAL   3  -3.847   6.253  -9.428
   25   HG23  VAL   3          HG23      VAL   3  -2.205   5.669  -9.119
   26    H    GLU   4           H        GLU   4  -2.219   9.715  -5.831
   27    HA   GLU   4           HA       GLU   4  -0.789  11.877  -7.063
   28    HB2  GLU   4           HB2      GLU   4  -1.603  11.571  -4.140
   29    HB3  GLU   4           HB3      GLU   4  -1.087  13.063  -4.913
   30    HG2  GLU   4           HG2      GLU   4  -3.056  13.050  -6.371
   31    HG3  GLU   4           HG3      GLU   4  -3.578  11.499  -5.688
   32    H    GLN   5           H        GLN   5   0.045   9.760  -4.292
   33    HA   GLN   5           HA       GLN   5   2.611  10.900  -3.757
   34    HB2  GLN   5           HB2      GLN   5   1.235   9.459  -2.203
   35    HB3  GLN   5           HB3      GLN   5   1.566   8.068  -3.229
   36    HG2  GLN   5           HG2      GLN   5   3.056   7.955  -1.368
   37    HG3  GLN   5           HG3      GLN   5   4.034   8.360  -2.770
   38   HE21  GLN   5          HE21      GLN   5   2.364   9.878   0.079
   39   HE22  GLN   5          HE22      GLN   5   3.527  11.186   0.208
   40    H    CYS   6           H        CYS   6   1.790   7.872  -5.571
   41    HA   CYS   6           HA       CYS   6   4.581   7.423  -6.155
   42    HB2  CYS   6           HB2      CYS   6   2.613   5.800  -5.731
   43    HB3  CYS   6           HB3      CYS   6   2.245   6.004  -7.440
   44    H    CYS   7           H        CYS   7   2.196   9.197  -7.882
   45    HA   CYS   7           HA       CYS   7   3.610   8.957 -10.479
   46    HB2  CYS   7           HB2      CYS   7   1.122   8.935 -10.207
   47    HB3  CYS   7           HB3      CYS   7   1.187  10.640  -9.761
   48    H    THR   8           H        THR   8   3.285  11.341  -7.850
   49    HA   THR   8           HA       THR   8   4.959  13.318  -9.342
   50    HB   THR   8           HB       THR   8   4.517  14.869  -7.571
   51    HG1  THR   8           HG1      THR   8   2.788  12.977  -6.356
   52   HG21  THR   8          HG21      THR   8   2.860  14.673  -9.402
   53   HG22  THR   8          HG22      THR   8   2.133  15.212  -7.879
   54   HG23  THR   8          HG23      THR   8   1.915  13.535  -8.421
   55    H    SER   9           H        SER   9   5.049  11.384  -6.360
   56    HA   SER   9           HA       SER   9   8.043  11.568  -6.333
   57    HG   SER   9           HG       SER   9   6.299  13.220  -4.597
   58    HB2  SER   9           HB2      SER   9   6.127  10.983  -4.038
   59    HB3  SER   9           HB3      SER   9   7.902  10.948  -3.963
   60    H    ILE  10           H        ILE  10   7.626   9.067  -4.448
   61    HA   ILE  10           HA       ILE  10   7.323   7.042  -6.630
   62    HB   ILE  10           HB       ILE  10   9.273   5.834  -5.631
   63   HG12  ILE  10          HG12      ILE  10   9.946   8.439  -4.194
   64   HG13  ILE  10          HG13      ILE  10   9.192   7.064  -3.386
   65   HG21  ILE  10          HG21      ILE  10  10.956   7.111  -6.809
   66   HG22  ILE  10          HG22      ILE  10   9.429   7.217  -7.686
   67   HG23  ILE  10          HG23      ILE  10   9.982   8.593  -6.702
   68   HD11  ILE  10          HD11      ILE  10  11.113   5.643  -3.933
   69   HD12  ILE  10          HD12      ILE  10  11.927   7.016  -4.725
   70   HD13  ILE  10          HD13      ILE  10  11.584   7.067  -2.988
   71    H    CYS  11           H        CYS  11   7.031   4.866  -5.925
   72    HA   CYS  11           HA       CYS  11   6.476   4.338  -3.097
   73    HB2  CYS  11           HB2      CYS  11   4.334   3.359  -3.365
   74    HB3  CYS  11           HB3      CYS  11   4.241   4.987  -3.990
   75    H    SER  12           H        SER  12   6.197   1.944  -2.717
   76    HA   SER  12           HA       SER  12   7.874   0.349  -4.613
   77    HG   SER  12           HG       SER  12   7.929  -0.009  -0.552
   78    HB2  SER  12           HB2      SER  12   8.592  -0.919  -2.660
   79    HB3  SER  12           HB3      SER  12   8.898   0.804  -2.392
   80    H    LEU  13           H        LEU  13   7.441  -1.964  -4.659
   81    HA   LEU  13           HA       LEU  13   4.686  -2.728  -4.991
   82    HG   LEU  13           HG       LEU  13   7.630  -3.145  -6.452
   83    HB2  LEU  13           HB2      LEU  13   7.153  -4.438  -4.437
   84    HB3  LEU  13           HB3      LEU  13   5.623  -4.992  -5.086
   85   HD11  LEU  13          HD11      LEU  13   8.263  -5.531  -6.375
   86   HD12  LEU  13          HD12      LEU  13   7.907  -5.011  -8.031
   87   HD13  LEU  13          HD13      LEU  13   6.711  -5.975  -7.127
   88   HD21  LEU  13          HD21      LEU  13   4.950  -4.115  -7.528
   89   HD22  LEU  13          HD22      LEU  13   6.205  -3.284  -8.470
   90   HD23  LEU  13          HD23      LEU  13   5.385  -2.431  -7.161
   91    H    TYR  14           H        TYR  14   6.866  -2.813  -2.235
   92    HA   TYR  14           HA       TYR  14   5.183  -4.332  -0.467
   93    HD1  TYR  14           HD2      TYR  14   8.608  -3.698  -1.958
   94    HD2  TYR  14           HD1      TYR  14   7.350  -5.610   1.689
   95    HE1  TYR  14           HE2      TYR  14  10.011  -5.677  -2.518
   96    HE2  TYR  14           HE1      TYR  14   8.807  -7.556   1.174
   97    HH   TYR  14           HH       TYR  14  10.291  -8.499  -0.338
   98    HB2  TYR  14           HB2      TYR  14   7.497  -2.419   0.011
   99    HB3  TYR  14           HB3      TYR  14   6.724  -3.356   1.275
  100    H    GLN  15           H        GLN  15   5.306  -0.897  -1.277
  101    HA   GLN  15           HA       GLN  15   3.319  -0.153   0.779
  102    HB2  GLN  15           HB2      GLN  15   4.462   1.305  -1.643
  103    HB3  GLN  15           HB3      GLN  15   3.150   1.959  -0.673
  104    HG2  GLN  15           HG2      GLN  15   5.865   1.187   0.486
  105    HG3  GLN  15           HG3      GLN  15   5.429   2.815  -0.044
  106   HE21  GLN  15          HE21      GLN  15   3.649   3.953   1.166
  107   HE22  GLN  15          HE22      GLN  15   3.310   3.438   2.809
  108    H    LEU  16           H        LEU  16   3.217  -0.973  -2.751
  109    HA   LEU  16           HA       LEU  16   0.353  -0.698  -2.958
  110    HG   LEU  16           HG       LEU  16   2.801  -0.118  -4.903
  111    HB2  LEU  16           HB2      LEU  16   2.286  -2.502  -4.467
  112    HB3  LEU  16           HB3      LEU  16   0.609  -2.242  -4.913
  113   HD11  LEU  16          HD11      LEU  16   2.987  -1.795  -6.709
  114   HD12  LEU  16          HD12      LEU  16   2.559  -0.198  -7.338
  115   HD13  LEU  16          HD13      LEU  16   1.315  -1.454  -7.198
  116   HD21  LEU  16          HD21      LEU  16  -0.117   0.129  -5.747
  117   HD22  LEU  16          HD22      LEU  16   1.146   1.347  -6.025
  118   HD23  LEU  16          HD23      LEU  16   0.658   0.959  -4.376
  119    H    GLU  17           H        GLU  17   2.343  -3.433  -1.840
  120    HA   GLU  17           HA       GLU  17   0.283  -5.311  -1.473
  121    HB2  GLU  17           HB2      GLU  17   2.761  -5.681  -1.301
  122    HB3  GLU  17           HB3      GLU  17   2.717  -4.950   0.308
  123    HG2  GLU  17           HG2      GLU  17   1.162  -6.727   1.064
  124    HG3  GLU  17           HG3      GLU  17   1.145  -7.412  -0.566
  125    H    ASN  18           H        ASN  18   1.062  -2.474   0.526
  126    HA   ASN  18           HA       ASN  18  -0.598  -3.255   2.779
  127    HB2  ASN  18           HB2      ASN  18   1.373  -1.685   2.882
  128    HB3  ASN  18           HB3      ASN  18   0.416  -0.492   1.998
  129   HD21  ASN  18          HD21      ASN  18   0.361  -2.512   5.003
  130   HD22  ASN  18          HD22      ASN  18  -0.552  -1.339   5.929
  131    H    TYR  19           H        TYR  19  -1.255  -1.797  -0.338
  132    HA   TYR  19           HA       TYR  19  -3.958  -0.855   0.431
  133    HD1  TYR  19           HD2      TYR  19  -0.948   0.945  -0.517
  134    HD2  TYR  19           HD1      TYR  19  -5.099   1.499  -1.483
  135    HE1  TYR  19           HE2      TYR  19  -0.800   3.317   0.243
  136    HE2  TYR  19           HE1      TYR  19  -4.972   3.863  -0.734
  137    HH   TYR  19           HH       TYR  19  -3.639   5.518   0.156
  138    HB2  TYR  19           HB2      TYR  19  -2.233  -0.663  -2.039
  139    HB3  TYR  19           HB3      TYR  19  -3.970  -0.478  -2.171
  140    H    CYS  20           H        CYS  20  -2.615  -3.880  -0.484
  141    HA   CYS  20           HA       CYS  20  -4.895  -4.959  -1.884
  142    HB2  CYS  20           HB2      CYS  20  -2.886  -6.394  -0.137
  143    HB3  CYS  20           HB3      CYS  20  -3.985  -7.145  -1.287
  144    H    ASN  21           H        ASN  21  -6.556  -6.285  -1.153
  145    HA   ASN  21           HA       ASN  21  -7.840  -5.532   1.329
  146    HB2  ASN  21           HB2      ASN  21  -8.901  -6.054  -0.961
  147    HB3  ASN  21           HB3      ASN  21  -8.624  -7.755  -0.594
  148   HD21  ASN  21          HD21      ASN  21  -9.341  -7.295   2.347
  149   HD22  ASN  21          HD22      ASN  21 -11.108  -7.142   2.288
  150    HA   PHE   1           HA       PHE   1  12.004  -4.743  -2.277
  151    HD1  PHE   1           HD1      PHE   1  10.952  -3.726   0.130
  152    HD2  PHE   1           HD2      PHE   1  15.170  -4.549   0.567
  153    HE1  PHE   1           HE1      PHE   1  10.527  -4.767   2.338
  154    HE2  PHE   1           HE2      PHE   1  14.735  -5.584   2.778
  155    HZ   PHE   1           HZ       PHE   1  12.414  -5.701   3.664
  156    H1   PHE   1           H1       PHE   1  13.652  -6.272  -3.077
  157    H2   PHE   1           H2       PHE   1  13.781  -6.127  -1.451
  158    H3   PHE   1           H3       PHE   1  14.868  -5.389  -2.429
  159    HB2  PHE   1           HB2      PHE   1  14.385  -3.138  -1.252
  160    HB3  PHE   1           HB3      PHE   1  12.718  -2.583  -1.290
  161    H    VAL   2           H        VAL   2  11.348  -2.849  -3.559
  162    HA   VAL   2           HA       VAL   2  13.168  -1.590  -5.393
  163    HB   VAL   2           HB       VAL   2  12.851  -3.723  -6.610
  164   HG11  VAL   2          HG11      VAL   2  10.521  -4.251  -5.882
  165   HG12  VAL   2          HG12      VAL   2   9.931  -2.942  -6.925
  166   HG13  VAL   2          HG13      VAL   2  10.748  -4.344  -7.635
  167   HG21  VAL   2          HG21      VAL   2  13.305  -1.606  -7.833
  168   HG22  VAL   2          HG22      VAL   2  12.383  -2.791  -8.782
  169   HG23  VAL   2          HG23      VAL   2  11.558  -1.396  -8.077
  170    H    ASN   3           H        ASN   3  12.354   0.284  -6.237
  171    HA   ASN   3           HA       ASN   3   9.548   1.048  -5.699
  172    HB2  ASN   3           HB2      ASN   3  10.206   3.141  -4.655
  173    HB3  ASN   3           HB3      ASN   3  10.889   1.796  -3.746
  174   HD21  ASN   3          HD21      ASN   3  13.210   1.554  -3.680
  175   HD22  ASN   3          HD22      ASN   3  14.269   2.775  -4.367
  176    H    GLN   4           H        GLN   4   8.771   2.818  -6.887
  177    HA   GLN   4           HA       GLN   4  10.182   3.445  -9.441
  178    HB2  GLN   4           HB2      GLN   4   7.547   1.920  -9.162
  179    HB3  GLN   4           HB3      GLN   4   8.235   2.503 -10.676
  180    HG2  GLN   4           HG2      GLN   4  10.200   0.970 -10.328
  181    HG3  GLN   4           HG3      GLN   4   9.403   0.324  -8.894
  182   HE21  GLN   4          HE21      GLN   4   8.897   0.759 -12.462
  183   HE22  GLN   4          HE22      GLN   4   7.882  -0.667 -12.595
  184    H    HIS   5           H        HIS   5   8.894   4.893 -10.805
  185    HA   HIS   5           HA       HIS   5   6.780   6.494  -9.448
  186    HD1  HIS   5           HD1      HIS   5   7.688   9.150  -9.140
  187    HD2  HIS   5           HD2      HIS   5  10.392   7.726 -12.028
  188    HE1  HIS   5           HE1      HIS   5   9.792  10.541  -8.874
  189    HB2  HIS   5           HB2      HIS   5   8.016   6.770 -12.226
  190    HB3  HIS   5           HB3      HIS   5   6.767   7.799 -11.548
  191    H    LEU   6           H        LEU   6   4.666   6.016  -9.933
  192    HA   LEU   6           HA       LEU   6   3.923   4.323 -12.236
  193    HG   LEU   6           HG       LEU   6   5.531   2.650 -10.176
  194    HB2  LEU   6           HB2      LEU   6   3.350   3.611  -9.334
  195    HB3  LEU   6           HB3      LEU   6   2.539   2.884 -10.692
  196   HD11  LEU   6          HD11      LEU   6   3.285   0.691  -9.538
  197   HD12  LEU   6          HD12      LEU   6   4.253   1.605  -8.358
  198   HD13  LEU   6          HD13      LEU   6   5.029   0.374  -9.365
  199   HD21  LEU   6          HD21      LEU   6   5.392   0.766 -11.783
  200   HD22  LEU   6          HD22      LEU   6   4.881   2.272 -12.558
  201   HD23  LEU   6          HD23      LEU   6   3.666   1.087 -12.028
  202    H    CYS   7           H        CYS   7   1.799   4.734 -12.900
  203    HA   CYS   7           HA       CYS   7   0.192   6.649 -11.325
  204    HB2  CYS   7           HB2      CYS   7   2.000   7.721 -12.897
  205    HB3  CYS   7           HB3      CYS   7   0.872   7.321 -14.187
  206    H    GLY   8           H        GLY   8  -1.868   6.889 -11.959
  207    HA2  GLY   8           HA2      GLY   8  -4.003   6.083 -12.523
  208    HA3  GLY   8           HA3      GLY   8  -3.318   6.257 -14.130
  209    H    SER   9           H        SER   9  -3.883   4.602 -15.328
  210    HA   SER   9           HA       SER   9  -4.811   2.082 -14.465
  211    HG   SER   9           HG       SER   9  -5.758   3.327 -17.714
  212    HB2  SER   9           HB2      SER   9  -3.580   2.790 -17.156
  213    HB3  SER   9           HB3      SER   9  -4.701   1.456 -16.811
  214    H    HIS  10           H        HIS  10  -1.451   3.080 -15.167
  215    HA   HIS  10           HA       HIS  10  -0.483   0.297 -15.150
  216    HD1  HIS  10           HD1      HIS  10   0.603  -0.397 -17.262
  217    HD2  HIS  10           HD2      HIS  10   0.720   3.794 -17.744
  218    HE1  HIS  10           HE1      HIS  10   0.419   0.045 -19.754
  219    HB2  HIS  10           HB2      HIS  10   0.884   2.999 -15.279
  220    HB3  HIS  10           HB3      HIS  10   1.763   1.464 -15.178
  221    H    LEU  11           H        LEU  11  -0.852   2.893 -12.724
  222    HA   LEU  11           HA       LEU  11   0.512   1.342 -10.658
  223    HG   LEU  11           HG       LEU  11   0.221   1.946  -8.498
  224    HB2  LEU  11           HB2      LEU  11   0.118   3.795 -10.486
  225    HB3  LEU  11           HB3      LEU  11  -1.608   3.521 -10.293
  226   HD11  LEU  11          HD11      LEU  11   1.276   4.192  -8.538
  227   HD12  LEU  11          HD12      LEU  11   0.641   3.757  -6.957
  228   HD13  LEU  11          HD13      LEU  11  -0.257   4.901  -7.984
  229   HD21  LEU  11          HD21      LEU  11  -1.467   2.395  -6.786
  230   HD22  LEU  11          HD22      LEU  11  -2.257   1.765  -8.233
  231   HD23  LEU  11          HD23      LEU  11  -2.327   3.498  -7.871
  232    H    VAL  12           H        VAL  12  -2.907   1.711 -11.643
  233    HA   VAL  12           HA       VAL  12  -4.006  -0.212  -9.884
  234    HB   VAL  12           HB       VAL  12  -4.888   0.552 -12.690
  235   HG11  VAL  12          HG11      VAL  12  -5.880  -1.655 -12.270
  236   HG12  VAL  12          HG12      VAL  12  -6.393  -1.140 -10.645
  237   HG13  VAL  12          HG13      VAL  12  -7.117  -0.412 -12.089
  238   HG21  VAL  12          HG21      VAL  12  -5.994   1.295  -9.949
  239   HG22  VAL  12          HG22      VAL  12  -5.004   2.351 -10.976
  240   HG23  VAL  12          HG23      VAL  12  -6.607   1.855 -11.520
  241    H    GLU  13           H        GLU  13  -2.550  -0.776 -13.106
  242    HA   GLU  13           HA       GLU  13  -2.850  -3.586 -13.255
  243    HB2  GLU  13           HB2      GLU  13  -2.210  -2.132 -15.109
  244    HB3  GLU  13           HB3      GLU  13  -0.710  -1.700 -14.288
  245    HG2  GLU  13           HG2      GLU  13   0.158  -3.960 -14.553
  246    HG3  GLU  13           HG3      GLU  13  -1.382  -4.499 -15.241
  247    H    ALA  14           H        ALA  14  -0.075  -1.660 -11.970
  248    HA   ALA  14           HA       ALA  14   1.496  -3.907 -11.133
  249    HB1  ALA  14           HB1      ALA  14   1.430  -1.036 -10.083
  250    HB2  ALA  14           HB2      ALA  14   2.730  -2.215  -9.803
  251    HB3  ALA  14           HB3      ALA  14   2.411  -1.632 -11.444
  252    H    LEU  15           H        LEU  15  -0.825  -1.904  -9.302
  253    HA   LEU  15           HA       LEU  15  -0.639  -3.152  -6.780
  254    HG   LEU  15           HG       LEU  15  -3.886  -2.774  -6.279
  255    HB2  LEU  15           HB2      LEU  15  -1.650  -0.967  -7.247
  256    HB3  LEU  15           HB3      LEU  15  -2.903  -1.719  -8.229
  257   HD11  LEU  15          HD11      LEU  15  -3.147  -2.218  -3.991
  258   HD12  LEU  15          HD12      LEU  15  -1.733  -1.362  -4.636
  259   HD13  LEU  15          HD13      LEU  15  -1.894  -3.124  -4.850
  260   HD21  LEU  15          HD21      LEU  15  -4.549  -0.486  -6.962
  261   HD22  LEU  15          HD22      LEU  15  -3.312   0.207  -5.889
  262   HD23  LEU  15          HD23      LEU  15  -4.675  -0.697  -5.210
  263    H    TYR  16           H        TYR  16  -3.032  -3.819  -9.413
  264    HA   TYR  16           HA       TYR  16  -4.271  -6.077  -8.254
  265    HD1  TYR  16           HD1      TYR  16  -6.312  -7.272  -9.276
  266    HD2  TYR  16           HD2      TYR  16  -3.577  -7.139 -12.609
  267    HE1  TYR  16           HE1      TYR  16  -7.179  -9.461 -10.070
  268    HE2  TYR  16           HE2      TYR  16  -4.448  -9.312 -13.417
  269    HH   TYR  16           HH       TYR  16  -5.926 -11.037 -13.049
  270    HB2  TYR  16           HB2      TYR  16  -5.143  -5.022 -10.255
  271    HB3  TYR  16           HB3      TYR  16  -3.657  -5.326 -11.134
  272    H    LEU  17           H        LEU  17  -1.292  -5.971 -10.249
  273    HA   LEU  17           HA       LEU  17  -0.872  -8.836 -10.209
  274    HG   LEU  17           HG       LEU  17  -0.953  -7.031 -12.507
  275    HB2  LEU  17           HB2      LEU  17   0.938  -6.481 -10.866
  276    HB3  LEU  17           HB3      LEU  17   1.467  -8.151 -11.019
  277   HD11  LEU  17          HD11      LEU  17   1.138  -5.875 -13.170
  278   HD12  LEU  17          HD12      LEU  17   0.523  -6.914 -14.468
  279   HD13  LEU  17          HD13      LEU  17   1.906  -7.443 -13.483
  280   HD21  LEU  17          HD21      LEU  17  -0.634  -9.029 -13.950
  281   HD22  LEU  17          HD22      LEU  17  -1.050  -9.469 -12.289
  282   HD23  LEU  17          HD23      LEU  17   0.631  -9.613 -12.849
  283    H    VAL  18           H        VAL  18   0.333  -6.269  -8.101
  284    HA   VAL  18           HA       VAL  18   2.002  -7.959  -6.453
  285    HB   VAL  18           HB       VAL  18   0.613  -5.310  -5.941
  286   HG11  VAL  18          HG11      VAL  18   0.706  -6.349  -3.727
  287   HG12  VAL  18          HG12      VAL  18   2.410  -6.800  -3.981
  288   HG13  VAL  18          HG13      VAL  18   1.932  -5.093  -3.861
  289   HG21  VAL  18          HG21      VAL  18   2.648  -5.394  -7.443
  290   HG22  VAL  18          HG22      VAL  18   2.892  -4.424  -5.981
  291   HG23  VAL  18          HG23      VAL  18   3.575  -6.062  -6.097
  292    H    CYS  19           H        CYS  19  -1.455  -7.011  -6.200
  293    HA   CYS  19           HA       CYS  19  -1.867  -8.532  -3.775
  294    HB2  CYS  19           HB2      CYS  19  -3.905  -7.433  -5.746
  295    HB3  CYS  19           HB3      CYS  19  -4.225  -7.966  -4.099
  296    H    GLY  20           H        GLY  20  -2.238  -9.388  -7.183
  297    HA2  GLY  20           HA2      GLY  20  -2.409 -11.483  -8.174
  298    HA3  GLY  20           HA3      GLY  20  -2.178 -12.219  -6.580
  299    H    GLU  21           H        GLU  21  -3.804 -13.390  -5.877
  300    HA   GLU  21           HA       GLU  21  -6.475 -13.297  -7.052
  301    HB2  GLU  21           HB2      GLU  21  -7.011 -15.049  -5.432
  302    HB3  GLU  21           HB3      GLU  21  -5.622 -15.443  -6.425
  303    HG2  GLU  21           HG2      GLU  21  -5.202 -14.272  -3.655
  304    HG3  GLU  21           HG3      GLU  21  -5.649 -15.960  -3.843
  305    H    ARG  22           H        ARG  22  -4.976 -11.670  -4.363
  306    HA   ARG  22           HA       ARG  22  -7.436 -11.045  -2.910
  307    HE   ARG  22           HE       ARG  22  -5.052  -9.520   0.471
  308    HB2  ARG  22           HB2      ARG  22  -4.716  -9.687  -2.842
  309    HB3  ARG  22           HB3      ARG  22  -6.036  -9.392  -1.723
  310    HG2  ARG  22           HG2      ARG  22  -5.844 -11.579  -0.745
  311    HG3  ARG  22           HG3      ARG  22  -4.777 -12.149  -2.037
  312    HD2  ARG  22           HD2      ARG  22  -3.449 -11.730  -0.087
  313    HD3  ARG  22           HD3      ARG  22  -3.031 -10.562  -1.350
  314   HH11  ARG  22          HH21      ARG  22  -1.535  -9.992   0.269
  315   HH12  ARG  22          HH22      ARG  22  -1.245  -8.734   1.438
  316   HH21  ARG  22          HH11      ARG  22  -4.637  -8.043   1.889
  317   HH22  ARG  22          HH12      ARG  22  -3.001  -7.612   2.383
  318    H    GLY  23           H        GLY  23  -8.608  -9.130  -2.977
  319    HA2  GLY  23           HA2      GLY  23  -8.455  -7.382  -5.355
  320    HA3  GLY  23           HA3      GLY  23  -9.578  -7.235  -3.986
  321    H    PHE  24           H        PHE  24  -8.806  -4.911  -4.627
  322    HA   PHE  24           HA       PHE  24  -6.920  -4.076  -2.503
  323    HD1  PHE  24           HD1      PHE  24  -7.131  -1.225  -5.642
  324    HD2  PHE  24           HD2      PHE  24  -6.227  -5.356  -6.452
  325    HE1  PHE  24           HE1      PHE  24  -7.851  -0.916  -8.000
  326    HE2  PHE  24           HE2      PHE  24  -6.979  -5.056  -8.795
  327    HZ   PHE  24           HZ       PHE  24  -7.783  -2.838  -9.576
  328    HB2  PHE  24           HB2      PHE  24  -5.715  -2.596  -4.083
  329    HB3  PHE  24           HB3      PHE  24  -5.473  -4.298  -4.392
  330    H    PHE  25           H        PHE  25  -7.019  -1.976  -1.850
  331    HA   PHE  25           HA       PHE  25  -9.344  -0.286  -2.615
  332    HD1  PHE  25           HD1      PHE  25 -10.745   1.202  -1.172
  333    HD2  PHE  25           HD2      PHE  25  -6.762   2.111   0.210
  334    HE1  PHE  25           HE1      PHE  25 -11.394   3.579  -0.839
  335    HE2  PHE  25           HE2      PHE  25  -7.418   4.486   0.530
  336    HZ   PHE  25           HZ       PHE  25  -9.731   5.217   0.016
  337    HB2  PHE  25           HB2      PHE  25  -8.958  -0.600  -0.204
  338    HB3  PHE  25           HB3      PHE  25  -7.280  -0.100  -0.382
  339    H    TYR  26           H        TYR  26  -8.838   1.952  -3.214
  340    HA   TYR  26           HA       TYR  26  -6.177   2.540  -4.346
  341    HD1  TYR  26           HD1      TYR  26  -5.036   2.418  -6.983
  342    HD2  TYR  26           HD2      TYR  26  -9.167   3.570  -7.437
  343    HE1  TYR  26           HE1      TYR  26  -4.432   3.849  -8.931
  344    HE2  TYR  26           HE2      TYR  26  -8.567   5.004  -9.374
  345    HH   TYR  26           HH       TYR  26  -6.885   5.696 -10.783
  346    HB2  TYR  26           HB2      TYR  26  -6.989   1.059  -6.029
  347    HB3  TYR  26           HB3      TYR  26  -8.597   1.772  -6.006
  348    H    THR  27           H        THR  27  -5.843   4.653  -4.882
  349    HA   THR  27           HA       THR  27  -8.076   6.579  -4.830
  350    HB   THR  27           HB       THR  27  -6.449   8.159  -3.567
  351    HG1  THR  27           HG1      THR  27  -5.711   5.686  -2.409
  352   HG21  THR  27          HG21      THR  27  -7.413   7.481  -1.413
  353   HG22  THR  27          HG22      THR  27  -7.924   5.929  -2.104
  354   HG23  THR  27          HG23      THR  27  -8.634   7.445  -2.696
  355    HA   PRO  28           HA       PRO  28  -5.703   7.540  -8.513
  356    HB2  PRO  28           HB2      PRO  28  -7.470   9.157  -9.781
  357    HB3  PRO  28           HB3      PRO  28  -7.826   7.432  -9.496
  358    HG2  PRO  28           HG2      PRO  28  -8.690   9.797  -7.798
  359    HG3  PRO  28           HG3      PRO  28  -9.725   8.505  -8.485
  360    HD2  PRO  28           HD2      PRO  28  -8.769   8.375  -5.943
  361    HD3  PRO  28           HD3      PRO  28  -8.911   6.907  -6.957
  362    H    LYS  29           H        LYS  29  -5.276   9.720  -9.823
  363    HA   LYS  29           HA       LYS  29  -3.782  11.477  -8.110
  364    HB2  LYS  29           HB2      LYS  29  -3.514  10.689 -10.662
  365    HB3  LYS  29           HB3      LYS  29  -4.465  12.136 -10.977
  366    HG2  LYS  29           HG2      LYS  29  -2.752  13.495  -9.742
  367    HG3  LYS  29           HG3      LYS  29  -1.825  12.011  -9.433
  368    HD2  LYS  29           HD2      LYS  29  -1.583  11.666 -11.886
  369    HD3  LYS  29           HD3      LYS  29  -2.508  13.159 -12.178
  370    HE2  LYS  29           HE2      LYS  29  -0.780  14.443 -10.890
  371    HE3  LYS  29           HE3      LYS  29   0.156  12.952 -10.695
  372    HZ1  LYS  29           HZ1      LYS  29  -0.507  14.233 -13.295
  373    HZ2  LYS  29           HZ2      LYS  29   0.344  12.849 -13.131
  374    HZ3  LYS  29           HZ3      LYS  29   0.957  14.259 -12.574
  375    H    THR  30           H        THR  30  -7.054  11.525  -9.024
  376    HA   THR  30           HA       THR  30  -7.713  14.211  -9.439
  377    HB   THR  30           HB       THR  30  -9.503  12.141  -8.121
  378    HG1  THR  30           HG1      THR  30  -9.981  11.567 -10.279
  379   HG21  THR  30          HG21      THR  30 -10.493  14.408  -8.293
  380   HG22  THR  30          HG22      THR  30 -11.274  13.298  -9.424
  381   HG23  THR  30          HG23      THR  30 -10.075  14.468 -10.025
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -4.565  11.425  -2.624
    2    H2   GLY   1           H2       GLY   1  -3.440  11.226  -3.803
    3    H3   GLY   1           H3       GLY   1  -2.968  11.354  -2.245
    4    HA2  GLY   1           HA2      GLY   1  -4.010   9.274  -1.658
    5    HA3  GLY   1           HA3      GLY   1  -4.554   9.132  -3.344
    6    H    ILE   2           H        ILE   2  -3.400   7.353  -4.037
    7    HA   ILE   2           HA       ILE   2  -0.396   7.656  -4.032
    8    HB   ILE   2           HB       ILE   2  -0.237   5.309  -4.532
    9   HG12  ILE   2          HG12      ILE   2  -3.250   5.093  -4.121
   10   HG13  ILE   2          HG13      ILE   2  -2.403   4.919  -5.664
   11   HG21  ILE   2          HG21      ILE   2  -1.901   5.769  -2.026
   12   HG22  ILE   2          HG22      ILE   2  -0.646   4.535  -2.285
   13   HG23  ILE   2          HG23      ILE   2  -0.191   6.229  -2.203
   14   HD11  ILE   2          HD11      ILE   2  -1.133   2.977  -4.667
   15   HD12  ILE   2          HD12      ILE   2  -2.190   3.094  -3.236
   16   HD13  ILE   2          HD13      ILE   2  -2.879   2.716  -4.814
   17    H    VAL   3           H        VAL   3  -3.165   7.587  -6.138
   18    HA   VAL   3           HA       VAL   3  -1.828   6.778  -8.517
   19    HB   VAL   3           HB       VAL   3  -4.379   8.365  -8.074
   20   HG11  VAL   3          HG11      VAL   3  -3.313   7.269 -10.706
   21   HG12  VAL   3          HG12      VAL   3  -4.989   7.776 -10.438
   22   HG13  VAL   3          HG13      VAL   3  -3.691   8.966 -10.329
   23   HG21  VAL   3          HG21      VAL   3  -5.451   6.216  -8.688
   24   HG22  VAL   3          HG22      VAL   3  -3.854   5.470  -8.906
   25   HG23  VAL   3          HG23      VAL   3  -4.378   6.001  -7.296
   26    H    GLU   4           H        GLU   4  -2.097  10.042  -7.081
   27    HA   GLU   4           HA       GLU   4  -0.556  11.162  -9.360
   28    HB2  GLU   4           HB2      GLU   4  -0.967  13.261  -8.601
   29    HB3  GLU   4           HB3      GLU   4  -2.491  12.447  -8.369
   30    HG2  GLU   4           HG2      GLU   4  -0.476  13.121  -6.172
   31    HG3  GLU   4           HG3      GLU   4  -1.891  14.052  -6.589
   32    H    GLN   5           H        GLN   5  -0.269  10.522  -5.839
   33    HA   GLN   5           HA       GLN   5   2.236  11.736  -5.502
   34    HB2  GLN   5           HB2      GLN   5   0.676  11.115  -3.682
   35    HB3  GLN   5           HB3      GLN   5   0.992   9.408  -3.982
   36    HG2  GLN   5           HG2      GLN   5   2.207  10.133  -2.022
   37    HG3  GLN   5           HG3      GLN   5   3.337   9.673  -3.284
   38   HE21  GLN   5          HE21      GLN   5   4.911  10.947  -1.935
   39   HE22  GLN   5          HE22      GLN   5   4.939  12.696  -2.144
   40    H    CYS   6           H        CYS   6   1.622   8.285  -6.386
   41    HA   CYS   6           HA       CYS   6   4.492   7.680  -6.403
   42    HB2  CYS   6           HB2      CYS   6   2.575   6.108  -5.904
   43    HB3  CYS   6           HB3      CYS   6   2.189   6.131  -7.621
   44    H    CYS   7           H        CYS   7   2.361   9.217  -8.553
   45    HA   CYS   7           HA       CYS   7   3.897   8.606 -11.000
   46    HB2  CYS   7           HB2      CYS   7   1.399   8.906 -10.919
   47    HB3  CYS   7           HB3      CYS   7   1.665  10.612 -10.590
   48    H    THR   8           H        THR   8   3.492  11.402  -8.775
   49    HA   THR   8           HA       THR   8   5.517  13.001 -10.212
   50    HB   THR   8           HB       THR   8   5.083  14.663  -8.423
   51    HG1  THR   8           HG1      THR   8   3.373  14.230  -6.997
   52   HG21  THR   8          HG21      THR   8   2.528  13.588  -9.715
   53   HG22  THR   8          HG22      THR   8   3.726  14.633 -10.509
   54   HG23  THR   8          HG23      THR   8   2.808  15.237  -9.120
   55    H    SER   9           H        SER   9   5.231  11.490  -6.994
   56    HA   SER   9           HA       SER   9   8.216  11.464  -6.715
   57    HG   SER   9           HG       SER   9   8.018  11.416  -3.272
   58    HB2  SER   9           HB2      SER   9   6.832  12.453  -4.870
   59    HB3  SER   9           HB3      SER   9   6.124  10.855  -4.603
   60    H    ILE  10           H        ILE  10   7.805   9.113  -4.874
   61    HA   ILE  10           HA       ILE  10   7.456   6.926  -6.909
   62    HB   ILE  10           HB       ILE  10   9.299   5.740  -5.706
   63   HG12  ILE  10          HG12      ILE  10   9.971   8.432  -4.446
   64   HG13  ILE  10          HG13      ILE  10   9.166   7.121  -3.579
   65   HG21  ILE  10          HG21      ILE  10  11.086   6.869  -6.899
   66   HG22  ILE  10          HG22      ILE  10   9.612   6.941  -7.857
   67   HG23  ILE  10          HG23      ILE  10  10.153   8.376  -6.951
   68   HD11  ILE  10          HD11      ILE  10  11.108   5.649  -3.960
   69   HD12  ILE  10          HD12      ILE  10  11.957   6.995  -4.779
   70   HD13  ILE  10          HD13      ILE  10  11.529   7.121  -3.064
   71    H    CYS  11           H        CYS  11   7.082   4.806  -6.055
   72    HA   CYS  11           HA       CYS  11   6.465   4.473  -3.238
   73    HB2  CYS  11           HB2      CYS  11   4.256   3.606  -3.421
   74    HB3  CYS  11           HB3      CYS  11   4.268   5.214  -4.113
   75    H    SER  12           H        SER  12   5.754   2.026  -2.924
   76    HA   SER  12           HA       SER  12   7.655   0.341  -4.518
   77    HG   SER  12           HG       SER  12   9.561   1.321  -1.629
   78    HB2  SER  12           HB2      SER  12   7.418   0.182  -1.511
   79    HB3  SER  12           HB3      SER  12   8.674  -0.488  -2.557
   80    H    LEU  13           H        LEU  13   7.373  -2.041  -4.086
   81    HA   LEU  13           HA       LEU  13   4.667  -2.751  -4.610
   82    HG   LEU  13           HG       LEU  13   7.870  -3.410  -5.577
   83    HB2  LEU  13           HB2      LEU  13   6.933  -4.570  -3.676
   84    HB3  LEU  13           HB3      LEU  13   5.495  -5.032  -4.573
   85   HD11  LEU  13          HD11      LEU  13   8.162  -5.852  -5.457
   86   HD12  LEU  13          HD12      LEU  13   8.154  -5.285  -7.133
   87   HD13  LEU  13          HD13      LEU  13   6.713  -6.080  -6.467
   88   HD21  LEU  13          HD21      LEU  13   5.329  -4.013  -7.136
   89   HD22  LEU  13          HD22      LEU  13   6.819  -3.305  -7.784
   90   HD23  LEU  13          HD23      LEU  13   5.870  -2.401  -6.604
   91    H    TYR  14           H        TYR  14   6.553  -3.018  -1.568
   92    HA   TYR  14           HA       TYR  14   4.444  -4.189  -0.054
   93    HD1  TYR  14           HD2      TYR  14   5.521  -1.568   2.914
   94    HD2  TYR  14           HD1      TYR  14   8.369  -2.250  -0.252
   95    HE1  TYR  14           HE2      TYR  14   6.727   0.508   3.553
   96    HE2  TYR  14           HE1      TYR  14   9.582  -0.175   0.392
   97    HH   TYR  14           HH       TYR  14   8.491   1.912   3.102
   98    HB2  TYR  14           HB2      TYR  14   5.724  -3.755   1.832
   99    HB3  TYR  14           HB3      TYR  14   6.869  -4.037   0.531
  100    H    GLN  15           H        GLN  15   5.059  -0.878  -0.965
  101    HA   GLN  15           HA       GLN  15   3.084   0.272   0.878
  102    HB2  GLN  15           HB2      GLN  15   4.435   1.544  -1.548
  103    HB3  GLN  15           HB3      GLN  15   3.445   2.371  -0.351
  104    HG2  GLN  15           HG2      GLN  15   5.100   1.711   1.428
  105    HG3  GLN  15           HG3      GLN  15   6.138   1.049   0.161
  106   HE21  GLN  15          HE21      GLN  15   7.467   2.582  -1.099
  107   HE22  GLN  15          HE22      GLN  15   7.370   4.292  -0.747
  108    H    LEU  16           H        LEU  16   3.106  -0.818  -2.526
  109    HA   LEU  16           HA       LEU  16   0.369  -0.072  -3.099
  110    HG   LEU  16           HG       LEU  16   2.890   0.088  -4.848
  111    HB2  LEU  16           HB2      LEU  16   2.217  -2.242  -4.192
  112    HB3  LEU  16           HB3      LEU  16   0.621  -1.944  -4.830
  113   HD11  LEU  16          HD11      LEU  16   3.277  -1.860  -6.330
  114   HD12  LEU  16          HD12      LEU  16   2.960  -0.392  -7.259
  115   HD13  LEU  16          HD13      LEU  16   1.687  -1.609  -7.076
  116   HD21  LEU  16          HD21      LEU  16   0.111   0.200  -6.113
  117   HD22  LEU  16          HD22      LEU  16   1.435   1.342  -6.433
  118   HD23  LEU  16          HD23      LEU  16   0.731   1.255  -4.818
  119    H    GLU  17           H        GLU  17   1.831  -3.048  -1.732
  120    HA   GLU  17           HA       GLU  17  -0.534  -4.559  -1.601
  121    HB2  GLU  17           HB2      GLU  17   1.845  -5.344  -1.337
  122    HB3  GLU  17           HB3      GLU  17   1.827  -4.710   0.316
  123    HG2  GLU  17           HG2      GLU  17   0.019  -6.288   0.898
  124    HG3  GLU  17           HG3      GLU  17  -0.116  -6.792  -0.791
  125    H    ASN  18           H        ASN  18   0.432  -1.945   0.548
  126    HA   ASN  18           HA       ASN  18  -1.195  -2.412   2.810
  127    HB2  ASN  18           HB2      ASN  18   0.500  -0.631   2.622
  128    HB3  ASN  18           HB3      ASN  18  -0.460   0.165   1.371
  129   HD21  ASN  18          HD21      ASN  18  -2.049   1.627   1.992
  130   HD22  ASN  18          HD22      ASN  18  -2.518   1.879   3.665
  131    H    TYR  19           H        TYR  19  -2.145  -1.458  -0.454
  132    HA   TYR  19           HA       TYR  19  -4.880  -0.660   0.342
  133    HD1  TYR  19           HD1      TYR  19  -5.543   1.979  -0.697
  134    HD2  TYR  19           HD2      TYR  19  -1.460   0.726  -1.254
  135    HE1  TYR  19           HE1      TYR  19  -4.746   4.116   0.292
  136    HE2  TYR  19           HE2      TYR  19  -0.658   2.855  -0.269
  137    HH   TYR  19           HH       TYR  19  -1.255   4.857   0.703
  138    HB2  TYR  19           HB2      TYR  19  -3.319  -0.545  -2.265
  139    HB3  TYR  19           HB3      TYR  19  -4.972  -0.014  -2.074
  140    H    CYS  20           H        CYS  20  -3.521  -3.560  -0.085
  141    HA   CYS  20           HA       CYS  20  -5.783  -4.804  -1.588
  142    HB2  CYS  20           HB2      CYS  20  -3.058  -5.890  -0.843
  143    HB3  CYS  20           HB3      CYS  20  -4.282  -6.723  -1.805
  144    H    ASN  21           H        ASN  21  -6.506  -6.930  -0.891
  145    HA   ASN  21           HA       ASN  21  -7.470  -6.894   1.838
  146    HB2  ASN  21           HB2      ASN  21  -8.588  -7.796  -0.345
  147    HB3  ASN  21           HB3      ASN  21  -7.621  -9.249  -0.060
  148   HD21  ASN  21          HD22      ASN  21  -7.922  -9.204   2.889
  149   HD22  ASN  21          HD21      ASN  21  -9.617  -9.643   3.164
  150    HA   PHE   1           HA       PHE   1  10.978  -5.599  -2.596
  151    HD1  PHE   1           HD2      PHE   1   8.717  -6.075  -1.628
  152    HD2  PHE   1           HD1      PHE   1  10.626  -3.866   1.554
  153    HE1  PHE   1           HE2      PHE   1   7.518  -7.447   0.058
  154    HE2  PHE   1           HE1      PHE   1   9.411  -5.232   3.228
  155    HZ   PHE   1           HZ       PHE   1   7.860  -7.028   2.480
  156    H1   PHE   1           H1       PHE   1  13.094  -4.790  -0.713
  157    H2   PHE   1           H2       PHE   1  13.191  -6.012  -1.794
  158    H3   PHE   1           H3       PHE   1  12.123  -6.107  -0.554
  159    HB2  PHE   1           HB2      PHE   1  11.025  -3.225  -0.679
  160    HB3  PHE   1           HB3      PHE   1   9.748  -3.600  -1.828
  161    H    VAL   2           H        VAL   2  10.371  -3.264  -3.780
  162    HA   VAL   2           HA       VAL   2  12.761  -1.785  -4.602
  163    HB   VAL   2           HB       VAL   2  12.822  -3.758  -6.073
  164   HG11  VAL   2          HG11      VAL   2  10.146  -2.833  -7.201
  165   HG12  VAL   2          HG12      VAL   2  11.156  -4.153  -7.810
  166   HG13  VAL   2          HG13      VAL   2  10.407  -4.295  -6.218
  167   HG21  VAL   2          HG21      VAL   2  13.661  -1.552  -6.866
  168   HG22  VAL   2          HG22      VAL   2  13.128  -2.618  -8.172
  169   HG23  VAL   2          HG23      VAL   2  12.095  -1.275  -7.667
  170    H    ASN   3           H        ASN   3  12.316   0.213  -5.457
  171    HA   ASN   3           HA       ASN   3   9.485   1.143  -5.369
  172    HB2  ASN   3           HB2      ASN   3  10.342   3.315  -4.801
  173    HB3  ASN   3           HB3      ASN   3  11.031   2.134  -3.690
  174   HD21  ASN   3          HD21      ASN   3  11.782   4.530  -6.158
  175   HD22  ASN   3          HD22      ASN   3  13.516   4.308  -6.095
  176    H    GLN   4           H        GLN   4   8.720   2.634  -6.881
  177    HA   GLN   4           HA       GLN   4  10.205   3.072  -9.417
  178    HB2  GLN   4           HB2      GLN   4   7.562   1.546  -9.156
  179    HB3  GLN   4           HB3      GLN   4   8.176   2.201 -10.674
  180    HG2  GLN   4           HG2      GLN   4  10.222   0.757 -10.420
  181    HG3  GLN   4           HG3      GLN   4   9.465   0.012  -9.001
  182   HE21  GLN   4          HE21      GLN   4   9.008   0.528 -12.560
  183   HE22  GLN   4          HE22      GLN   4   8.006  -0.901 -12.750
  184    H    HIS   5           H        HIS   5   8.973   4.515 -10.880
  185    HA   HIS   5           HA       HIS   5   6.973   6.292  -9.569
  186    HD1  HIS   5           HD1      HIS   5   8.052   9.072  -9.445
  187    HD2  HIS   5           HD2      HIS   5  10.777   7.008 -11.888
  188    HE1  HIS   5           HE1      HIS   5  10.294  10.209  -9.108
  189    HB2  HIS   5           HB2      HIS   5   8.265   6.470 -12.325
  190    HB3  HIS   5           HB3      HIS   5   7.092   7.592 -11.654
  191    H    LEU   6           H        LEU   6   4.846   5.827  -9.987
  192    HA   LEU   6           HA       LEU   6   4.080   4.125 -12.311
  193    HG   LEU   6           HG       LEU   6   5.582   2.636 -10.010
  194    HB2  LEU   6           HB2      LEU   6   3.308   3.624  -9.414
  195    HB3  LEU   6           HB3      LEU   6   2.636   2.786 -10.792
  196   HD11  LEU   6          HD11      LEU   6   3.278   0.750  -9.383
  197   HD12  LEU   6          HD12      LEU   6   4.198   1.720  -8.218
  198   HD13  LEU   6          HD13      LEU   6   5.002   0.403  -9.093
  199   HD21  LEU   6          HD21      LEU   6   5.117   2.072 -12.402
  200   HD22  LEU   6          HD22      LEU   6   3.870   0.918 -11.880
  201   HD23  LEU   6          HD23      LEU   6   5.578   0.638 -11.478
  202    H    CYS   7           H        CYS   7   2.257   4.833 -13.255
  203    HA   CYS   7           HA       CYS   7   0.599   6.933 -11.901
  204    HB2  CYS   7           HB2      CYS   7   1.395   6.752 -14.824
  205    HB3  CYS   7           HB3      CYS   7   0.453   8.035 -14.087
  206    H    GLY   8           H        GLY   8  -1.519   6.677 -12.033
  207    HA2  GLY   8           HA2      GLY   8  -3.647   5.841 -12.533
  208    HA3  GLY   8           HA3      GLY   8  -3.062   6.112 -14.167
  209    H    SER   9           H        SER   9  -3.286   4.458 -15.504
  210    HA   SER   9           HA       SER   9  -4.277   1.888 -14.781
  211    HG   SER   9           HG       SER   9  -3.038   3.164 -18.462
  212    HB2  SER   9           HB2      SER   9  -3.722   1.349 -17.181
  213    HB3  SER   9           HB3      SER   9  -4.744   2.771 -16.933
  214    H    HIS  10           H        HIS  10  -0.885   2.982 -15.338
  215    HA   HIS  10           HA       HIS  10   0.152   0.246 -15.162
  216    HD1  HIS  10           HD1      HIS  10   1.388  -0.377 -17.251
  217    HD2  HIS  10           HD2      HIS  10   1.431   3.827 -17.641
  218    HE1  HIS  10           HE1      HIS  10   1.385   0.118 -19.747
  219    HB2  HIS  10           HB2      HIS  10   1.496   2.966 -15.180
  220    HB3  HIS  10           HB3      HIS  10   2.359   1.430 -15.075
  221    H    LEU  11           H        LEU  11  -0.470   2.838 -12.796
  222    HA   LEU  11           HA       LEU  11   0.823   1.401 -10.608
  223    HG   LEU  11           HG       LEU  11   0.157   2.065  -8.427
  224    HB2  LEU  11           HB2      LEU  11   0.361   3.806 -10.485
  225    HB3  LEU  11           HB3      LEU  11  -1.378   3.530 -10.559
  226   HD11  LEU  11          HD11      LEU  11   1.195   4.251  -8.305
  227   HD12  LEU  11          HD12      LEU  11   0.128   4.013  -6.912
  228   HD13  LEU  11          HD13      LEU  11  -0.399   5.048  -8.258
  229   HD21  LEU  11          HD21      LEU  11  -2.348   1.839  -8.601
  230   HD22  LEU  11          HD22      LEU  11  -2.492   3.586  -8.328
  231   HD23  LEU  11          HD23      LEU  11  -1.829   2.530  -7.065
  232    H    VAL  12           H        VAL  12  -2.537   1.545 -11.841
  233    HA   VAL  12           HA       VAL  12  -3.590  -0.397 -10.036
  234    HB   VAL  12           HB       VAL  12  -4.488   0.450 -12.811
  235   HG11  VAL  12          HG11      VAL  12  -5.444  -1.791 -12.488
  236   HG12  VAL  12          HG12      VAL  12  -5.972  -1.350 -10.853
  237   HG13  VAL  12          HG13      VAL  12  -6.702  -0.573 -12.275
  238   HG21  VAL  12          HG21      VAL  12  -4.625   2.169 -11.009
  239   HG22  VAL  12          HG22      VAL  12  -6.234   1.658 -11.529
  240   HG23  VAL  12          HG23      VAL  12  -5.543   1.035 -10.011
  241    H    GLU  13           H        GLU  13  -2.000  -0.860 -13.192
  242    HA   GLU  13           HA       GLU  13  -2.232  -3.689 -13.423
  243    HB2  GLU  13           HB2      GLU  13  -1.540  -2.162 -15.214
  244    HB3  GLU  13           HB3      GLU  13  -0.085  -1.734 -14.316
  245    HG2  GLU  13           HG2      GLU  13   0.818  -3.975 -14.595
  246    HG3  GLU  13           HG3      GLU  13  -0.688  -4.517 -15.358
  247    H    ALA  14           H        ALA  14   0.434  -1.701 -11.973
  248    HA   ALA  14           HA       ALA  14   1.977  -3.917 -11.040
  249    HB1  ALA  14           HB1      ALA  14   1.772  -1.067  -9.963
  250    HB2  ALA  14           HB2      ALA  14   3.076  -2.219  -9.609
  251    HB3  ALA  14           HB3      ALA  14   2.847  -1.620 -11.267
  252    H    LEU  15           H        LEU  15  -0.505  -1.977  -9.333
  253    HA   LEU  15           HA       LEU  15  -0.469  -3.265  -6.833
  254    HG   LEU  15           HG       LEU  15  -3.682  -3.012  -6.405
  255    HB2  LEU  15           HB2      LEU  15  -1.539  -1.114  -7.432
  256    HB3  LEU  15           HB3      LEU  15  -2.725  -1.966  -8.424
  257   HD11  LEU  15          HD11      LEU  15  -1.688  -3.069  -4.927
  258   HD12  LEU  15          HD12      LEU  15  -3.021  -2.192  -4.166
  259   HD13  LEU  15          HD13      LEU  15  -1.671  -1.294  -4.882
  260   HD21  LEU  15          HD21      LEU  15  -4.516  -0.823  -7.249
  261   HD22  LEU  15          HD22      LEU  15  -3.350   0.022  -6.219
  262   HD23  LEU  15          HD23      LEU  15  -4.665  -0.928  -5.488
  263    H    TYR  16           H        TYR  16  -2.527  -4.047  -9.691
  264    HA   TYR  16           HA       TYR  16  -3.745  -6.379  -8.627
  265    HD1  TYR  16           HD2      TYR  16  -5.575  -7.732  -9.701
  266    HD2  TYR  16           HD1      TYR  16  -2.874  -7.221 -13.034
  267    HE1  TYR  16           HE2      TYR  16  -6.263  -9.939 -10.594
  268    HE2  TYR  16           HE1      TYR  16  -3.564  -9.423 -13.935
  269    HH   TYR  16           HH       TYR  16  -4.891 -11.285 -13.636
  270    HB2  TYR  16           HB2      TYR  16  -4.589  -5.337 -10.633
  271    HB3  TYR  16           HB3      TYR  16  -3.045  -5.521 -11.449
  272    H    LEU  17           H        LEU  17  -0.638  -6.053 -10.382
  273    HA   LEU  17           HA       LEU  17  -0.151  -8.922 -10.422
  274    HG   LEU  17           HG       LEU  17  -0.221  -7.052 -12.696
  275    HB2  LEU  17           HB2      LEU  17   1.604  -6.496 -10.995
  276    HB3  LEU  17           HB3      LEU  17   2.178  -8.153 -11.165
  277   HD11  LEU  17          HD11      LEU  17   2.667  -7.402 -13.618
  278   HD12  LEU  17          HD12      LEU  17   1.857  -5.851 -13.301
  279   HD13  LEU  17          HD13      LEU  17   1.291  -6.880 -14.623
  280   HD21  LEU  17          HD21      LEU  17   0.150  -9.016 -14.160
  281   HD22  LEU  17          HD22      LEU  17  -0.279  -9.501 -12.517
  282   HD23  LEU  17          HD23      LEU  17   1.415  -9.602 -13.052
  283    H    VAL  18           H        VAL  18   0.815  -6.378  -8.195
  284    HA   VAL  18           HA       VAL  18   2.589  -8.012  -6.577
  285    HB   VAL  18           HB       VAL  18   1.003  -5.488  -5.991
  286   HG11  VAL  18          HG11      VAL  18   1.207  -6.622  -3.804
  287   HG12  VAL  18          HG12      VAL  18   2.941  -6.886  -4.088
  288   HG13  VAL  18          HG13      VAL  18   2.291  -5.242  -3.896
  289   HG21  VAL  18          HG21      VAL  18   3.024  -5.334  -7.495
  290   HG22  VAL  18          HG22      VAL  18   3.216  -4.441  -5.983
  291   HG23  VAL  18          HG23      VAL  18   4.002  -6.028  -6.198
  292    H    CYS  19           H        CYS  19  -0.909  -7.252  -6.363
  293    HA   CYS  19           HA       CYS  19  -1.127  -8.905  -3.936
  294    HB2  CYS  19           HB2      CYS  19  -3.097  -7.117  -5.371
  295    HB3  CYS  19           HB3      CYS  19  -3.375  -7.926  -3.825
  296    H    GLY  20           H        GLY  20  -2.016  -9.326  -7.296
  297    HA2  GLY  20           HA2      GLY  20  -2.813 -11.183  -8.420
  298    HA3  GLY  20           HA3      GLY  20  -2.467 -12.133  -6.963
  299    H    GLU  21           H        GLU  21  -4.232 -13.347  -6.776
  300    HA   GLU  21           HA       GLU  21  -6.888 -12.659  -7.421
  301    HB2  GLU  21           HB2      GLU  21  -7.485 -14.753  -6.352
  302    HB3  GLU  21           HB3      GLU  21  -6.023 -14.936  -7.321
  303    HG2  GLU  21           HG2      GLU  21  -4.648 -14.787  -5.220
  304    HG3  GLU  21           HG3      GLU  21  -6.131 -14.674  -4.280
  305    H    ARG  22           H        ARG  22  -5.148 -11.817  -4.545
  306    HA   ARG  22           HA       ARG  22  -7.210 -11.791  -2.605
  307    HE   ARG  22           HE       ARG  22  -2.313 -11.298  -2.662
  308    HB2  ARG  22           HB2      ARG  22  -4.716 -10.056  -2.892
  309    HB3  ARG  22           HB3      ARG  22  -5.746 -10.075  -1.457
  310    HG2  ARG  22           HG2      ARG  22  -5.350 -12.475  -1.134
  311    HG3  ARG  22           HG3      ARG  22  -4.307 -12.535  -2.561
  312    HD2  ARG  22           HD2      ARG  22  -3.768 -10.710  -0.186
  313    HD3  ARG  22           HD3      ARG  22  -3.162 -12.365  -0.279
  314   HH11  ARG  22          HH21      ARG  22  -1.916 -10.050   0.660
  315   HH12  ARG  22          HH22      ARG  22  -0.283  -9.505   0.284
  316   HH21  ARG  22          HH11      ARG  22  -0.095 -10.650  -2.887
  317   HH22  ARG  22          HH12      ARG  22   0.633  -9.761  -1.555
  318    H    GLY  23           H        GLY  23  -6.543  -9.421  -5.139
  319    HA2  GLY  23           HA2      GLY  23  -7.879  -7.677  -5.920
  320    HA3  GLY  23           HA3      GLY  23  -9.055  -7.991  -4.630
  321    H    PHE  24           H        PHE  24  -8.533  -5.461  -5.357
  322    HA   PHE  24           HA       PHE  24  -7.084  -4.218  -3.096
  323    HD1  PHE  24           HD1      PHE  24  -6.913  -1.646  -6.385
  324    HD2  PHE  24           HD2      PHE  24  -5.977  -5.824  -6.897
  325    HE1  PHE  24           HE1      PHE  24  -7.450  -1.473  -8.800
  326    HE2  PHE  24           HE2      PHE  24  -6.544  -5.648  -9.307
  327    HZ   PHE  24           HZ       PHE  24  -7.271  -3.478 -10.268
  328    HB2  PHE  24           HB2      PHE  24  -5.652  -2.960  -4.626
  329    HB3  PHE  24           HB3      PHE  24  -5.405  -4.682  -4.842
  330    H    PHE  25           H        PHE  25  -7.245  -1.891  -3.016
  331    HA   PHE  25           HA       PHE  25  -9.000  -0.476  -4.860
  332    HD1  PHE  25           HD1      PHE  25 -11.579   0.253  -5.066
  333    HD2  PHE  25           HD2      PHE  25 -10.069   1.677  -1.284
  334    HE1  PHE  25           HE1      PHE  25 -12.802   2.395  -5.378
  335    HE2  PHE  25           HE2      PHE  25 -11.285   3.818  -1.609
  336    HZ   PHE  25           HZ       PHE  25 -12.650   4.178  -3.657
  337    HB2  PHE  25           HB2      PHE  25 -10.651  -1.308  -3.235
  338    HB3  PHE  25           HB3      PHE  25  -9.721  -0.612  -1.915
  339    H    TYR  26           H        TYR  26  -7.519   0.957  -5.465
  340    HA   TYR  26           HA       TYR  26  -5.526   2.151  -3.732
  341    HD1  TYR  26           HD2      TYR  26  -6.659   4.915  -6.777
  342    HD2  TYR  26           HD1      TYR  26  -6.728   0.662  -7.487
  343    HE1  TYR  26           HE2      TYR  26  -8.235   5.262  -8.664
  344    HE2  TYR  26           HE1      TYR  26  -8.333   1.004  -9.365
  345    HH   TYR  26           HH       TYR  26  -9.478   4.265 -10.330
  346    HB2  TYR  26           HB2      TYR  26  -4.963   3.408  -5.788
  347    HB3  TYR  26           HB3      TYR  26  -5.026   1.681  -6.048
  348    H    THR  27           H        THR  27  -5.276   4.421  -3.291
  349    HA   THR  27           HA       THR  27  -7.775   6.006  -3.182
  350    HB   THR  27           HB       THR  27  -5.059   6.729  -2.054
  351    HG1  THR  27           HG1      THR  27  -6.166   6.145  -0.099
  352   HG21  THR  27          HG21      THR  27  -6.614   8.681  -2.481
  353   HG22  THR  27          HG22      THR  27  -6.371   8.376  -0.753
  354   HG23  THR  27          HG23      THR  27  -7.867   7.851  -1.548
  355    HA   PRO  28           HA       PRO  28  -6.354   7.756  -7.094
  356    HB2  PRO  28           HB2      PRO  28  -8.511   9.287  -7.733
  357    HB3  PRO  28           HB3      PRO  28  -8.586   7.506  -7.697
  358    HG2  PRO  28           HG2      PRO  28  -9.384   9.433  -5.481
  359    HG3  PRO  28           HG3      PRO  28 -10.369   8.113  -6.200
  360    HD2  PRO  28           HD2      PRO  28  -8.927   7.754  -3.925
  361    HD3  PRO  28           HD3      PRO  28  -9.090   6.450  -5.140
  362    H    LYS  29           H        LYS  29  -6.635  10.304  -7.995
  363    HA   LYS  29           HA       LYS  29  -4.863  11.814  -6.344
  364    HB2  LYS  29           HB2      LYS  29  -5.116  13.604  -7.958
  365    HB3  LYS  29           HB3      LYS  29  -4.849  12.043  -8.743
  366    HG2  LYS  29           HG2      LYS  29  -7.260  11.893  -9.315
  367    HG3  LYS  29           HG3      LYS  29  -7.567  13.409  -8.459
  368    HD2  LYS  29           HD2      LYS  29  -7.482  13.854 -10.823
  369    HD3  LYS  29           HD3      LYS  29  -6.097  14.628 -10.042
  370    HE2  LYS  29           HE2      LYS  29  -4.639  12.731 -10.785
  371    HE3  LYS  29           HE3      LYS  29  -6.042  11.958 -11.534
  372    HZ1  LYS  29           HZ1      LYS  29  -6.244  13.878 -13.008
  373    HZ2  LYS  29           HZ2      LYS  29  -4.757  13.216 -13.161
  374    HZ3  LYS  29           HZ3      LYS  29  -4.948  14.602 -12.319
  375    H    THR  30           H        THR  30  -5.103  13.420  -4.887
  376    HA   THR  30           HA       THR  30  -7.847  14.397  -4.185
  377    HB   THR  30           HB       THR  30  -7.260  14.156  -1.776
  378    HG1  THR  30           HG1      THR  30  -5.018  13.856  -2.179
  379   HG21  THR  30          HG21      THR  30  -8.783  12.549  -2.866
  380   HG22  THR  30          HG22      THR  30  -7.805  11.787  -1.596
  381   HG23  THR  30          HG23      THR  30  -7.394  11.525  -3.301
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -4.358  10.960  -1.930
    2    H2   GLY   1           H2       GLY   1  -3.750  11.131  -3.446
    3    H3   GLY   1           H3       GLY   1  -2.726  10.991  -2.170
    4    HA2  GLY   1           HA2      GLY   1  -3.453   8.737  -1.757
    5    HA3  GLY   1           HA3      GLY   1  -4.584   8.907  -3.113
    6    H    ILE   2           H        ILE   2  -3.031   6.815  -3.380
    7    HA   ILE   2           HA       ILE   2  -0.334   7.300  -4.260
    8    HB   ILE   2           HB       ILE   2  -0.304   4.955  -4.995
    9   HG12  ILE   2          HG12      ILE   2  -3.169   4.767  -3.964
   10   HG13  ILE   2          HG13      ILE   2  -2.735   4.757  -5.672
   11   HG21  ILE   2          HG21      ILE   2   0.197   5.768  -2.676
   12   HG22  ILE   2          HG22      ILE   2  -1.474   5.391  -2.217
   13   HG23  ILE   2          HG23      ILE   2  -0.359   4.105  -2.728
   14   HD11  ILE   2          HD11      ILE   2  -1.877   2.687  -3.601
   15   HD12  ILE   2          HD12      ILE   2  -3.089   2.482  -4.861
   16   HD13  ILE   2          HD13      ILE   2  -1.384   2.696  -5.311
   17    H    VAL   3           H        VAL   3  -3.281   7.391  -6.114
   18    HA   VAL   3           HA       VAL   3  -2.048   7.136  -8.707
   19    HB   VAL   3           HB       VAL   3  -4.515   8.716  -7.904
   20   HG11  VAL   3          HG11      VAL   3  -3.814   9.550 -10.087
   21   HG12  VAL   3          HG12      VAL   3  -3.595   7.892 -10.692
   22   HG13  VAL   3          HG13      VAL   3  -5.213   8.513 -10.302
   23   HG21  VAL   3          HG21      VAL   3  -4.326   5.960  -9.197
   24   HG22  VAL   3          HG22      VAL   3  -4.658   6.239  -7.482
   25   HG23  VAL   3          HG23      VAL   3  -5.808   6.809  -8.697
   26    H    GLU   4           H        GLU   4  -2.257   9.893  -6.481
   27    HA   GLU   4           HA       GLU   4  -0.814  11.656  -8.388
   28    HB2  GLU   4           HB2      GLU   4  -2.521  12.648  -6.918
   29    HB3  GLU   4           HB3      GLU   4  -1.647  12.071  -5.487
   30    HG2  GLU   4           HG2      GLU   4   0.294  13.497  -6.079
   31    HG3  GLU   4           HG3      GLU   4  -0.521  13.990  -7.571
   32    H    GLN   5           H        GLN   5  -0.233  10.082  -5.184
   33    HA   GLN   5           HA       GLN   5   2.327  11.190  -4.873
   34    HB2  GLN   5           HB2      GLN   5   0.838  10.291  -3.088
   35    HB3  GLN   5           HB3      GLN   5   1.253   8.645  -3.588
   36    HG2  GLN   5           HG2      GLN   5   3.633   9.058  -3.047
   37    HG3  GLN   5           HG3      GLN   5   3.246  10.728  -2.612
   38   HE21  GLN   5          HE21      GLN   5   1.819  11.055  -0.650
   39   HE22  GLN   5          HE22      GLN   5   1.802   9.787   0.568
   40    H    CYS   6           H        CYS   6   1.539   7.937  -6.317
   41    HA   CYS   6           HA       CYS   6   4.451   7.378  -6.526
   42    HB2  CYS   6           HB2      CYS   6   2.557   5.726  -5.950
   43    HB3  CYS   6           HB3      CYS   6   2.216   5.700  -7.674
   44    H    CYS   7           H        CYS   7   2.154   9.000  -8.341
   45    HA   CYS   7           HA       CYS   7   3.431   8.562 -10.981
   46    HB2  CYS   7           HB2      CYS   7   0.956   8.715 -10.583
   47    HB3  CYS   7           HB3      CYS   7   1.152  10.403 -10.133
   48    H    THR   8           H        THR   8   3.207  11.066  -8.470
   49    HA   THR   8           HA       THR   8   4.963  12.956  -9.957
   50    HB   THR   8           HB       THR   8   4.479  14.496  -8.074
   51    HG1  THR   8           HG1      THR   8   2.575  12.539  -7.276
   52   HG21  THR   8          HG21      THR   8   3.090  14.528 -10.096
   53   HG22  THR   8          HG22      THR   8   2.143  14.921  -8.651
   54   HG23  THR   8          HG23      THR   8   1.996  13.313  -9.399
   55    H    SER   9           H        SER   9   4.962  11.183  -6.851
   56    HA   SER   9           HA       SER   9   7.945  11.416  -6.771
   57    HG   SER   9           HG       SER   9   8.046  11.294  -3.315
   58    HB2  SER   9           HB2      SER   9   6.638  12.293  -4.795
   59    HB3  SER   9           HB3      SER   9   6.103  10.630  -4.488
   60    H    ILE  10           H        ILE  10   8.219   9.102  -5.107
   61    HA   ILE  10           HA       ILE  10   7.652   6.902  -7.076
   62    HB   ILE  10           HB       ILE  10  10.050   7.832  -6.796
   63   HG12  ILE  10          HG12      ILE  10   9.523   4.863  -6.520
   64   HG13  ILE  10          HG13      ILE  10   9.515   5.832  -8.001
   65   HG21  ILE  10          HG21      ILE  10   9.979   7.913  -4.271
   66   HG22  ILE  10          HG22      ILE  10  10.060   6.136  -4.274
   67   HG23  ILE  10          HG23      ILE  10  11.390   7.100  -4.948
   68   HD11  ILE  10          HD11      ILE  10  11.950   5.251  -6.271
   69   HD12  ILE  10          HD12      ILE  10  11.599   4.617  -7.883
   70   HD13  ILE  10          HD13      ILE  10  11.929   6.347  -7.673
   71    H    CYS  11           H        CYS  11   7.233   4.748  -6.221
   72    HA   CYS  11           HA       CYS  11   6.911   4.527  -3.295
   73    HB2  CYS  11           HB2      CYS  11   4.710   3.737  -3.302
   74    HB3  CYS  11           HB3      CYS  11   4.699   5.259  -4.173
   75    H    SER  12           H        SER  12   6.507   2.301  -2.558
   76    HA   SER  12           HA       SER  12   8.159   0.379  -4.111
   77    HG   SER  12           HG       SER  12   7.780   0.318  -0.067
   78    HB2  SER  12           HB2      SER  12   8.706  -0.602  -1.981
   79    HB3  SER  12           HB3      SER  12   8.927   1.148  -1.845
   80    H    LEU  13           H        LEU  13   7.672  -1.942  -3.755
   81    HA   LEU  13           HA       LEU  13   4.938  -2.643  -4.333
   82    HG   LEU  13           HG       LEU  13   8.003  -3.351  -5.422
   83    HB2  LEU  13           HB2      LEU  13   7.244  -4.382  -3.352
   84    HB3  LEU  13           HB3      LEU  13   5.765  -4.944  -4.103
   85   HD11  LEU  13          HD11      LEU  13   6.961  -6.169  -5.907
   86   HD12  LEU  13          HD12      LEU  13   8.455  -5.738  -5.048
   87   HD13  LEU  13          HD13      LEU  13   8.291  -5.372  -6.776
   88   HD21  LEU  13          HD21      LEU  13   5.395  -4.258  -6.701
   89   HD22  LEU  13          HD22      LEU  13   6.792  -3.587  -7.558
   90   HD23  LEU  13          HD23      LEU  13   5.894  -2.576  -6.421
   91    H    TYR  14           H        TYR  14   6.812  -2.698  -1.255
   92    HA   TYR  14           HA       TYR  14   4.665  -3.867   0.250
   93    HD1  TYR  14           HD2      TYR  14   5.719  -1.021   2.949
   94    HD2  TYR  14           HD1      TYR  14   8.846  -2.372   0.315
   95    HE1  TYR  14           HE2      TYR  14   7.110   0.925   3.608
   96    HE2  TYR  14           HE1      TYR  14  10.248  -0.430   0.972
   97    HH   TYR  14           HH       TYR  14   9.114   2.027   3.338
   98    HB2  TYR  14           HB2      TYR  14   5.900  -3.405   2.158
   99    HB3  TYR  14           HB3      TYR  14   7.050  -3.827   0.898
  100    H    GLN  15           H        GLN  15   5.428  -0.539  -0.585
  101    HA   GLN  15           HA       GLN  15   3.299   0.587   1.058
  102    HB2  GLN  15           HB2      GLN  15   4.874   1.692  -1.292
  103    HB3  GLN  15           HB3      GLN  15   3.551   2.585  -0.560
  104    HG2  GLN  15           HG2      GLN  15   5.978   1.615   0.996
  105    HG3  GLN  15           HG3      GLN  15   5.816   3.223   0.308
  106   HE21  GLN  15          HE21      GLN  15   4.069   4.660   1.181
  107   HE22  GLN  15          HE22      GLN  15   3.482   4.349   2.805
  108    H    LEU  16           H        LEU  16   3.394  -0.594  -2.343
  109    HA   LEU  16           HA       LEU  16   0.622   0.028  -2.887
  110    HG   LEU  16           HG       LEU  16   3.140   0.281  -4.611
  111    HB2  LEU  16           HB2      LEU  16   2.527  -2.076  -3.995
  112    HB3  LEU  16           HB3      LEU  16   0.920  -1.807  -4.635
  113   HD11  LEU  16          HD11      LEU  16   3.232  -0.147  -7.023
  114   HD12  LEU  16          HD12      LEU  16   2.004  -1.423  -6.867
  115   HD13  LEU  16          HD13      LEU  16   3.606  -1.613  -6.118
  116   HD21  LEU  16          HD21      LEU  16   0.396   0.378  -5.917
  117   HD22  LEU  16          HD22      LEU  16   1.705   1.550  -6.146
  118   HD23  LEU  16          HD23      LEU  16   0.951   1.388  -4.561
  119    H    GLU  17           H        GLU  17   2.163  -2.831  -1.390
  120    HA   GLU  17           HA       GLU  17  -0.114  -4.449  -1.343
  121    HB2  GLU  17           HB2      GLU  17   2.215  -5.180  -0.902
  122    HB3  GLU  17           HB3      GLU  17   2.126  -4.444   0.711
  123    HG2  GLU  17           HG2      GLU  17   0.380  -5.983   1.384
  124    HG3  GLU  17           HG3      GLU  17   0.148  -6.539  -0.277
  125    H    ASN  18           H        ASN  18   0.605  -1.746   0.778
  126    HA   ASN  18           HA       ASN  18  -1.163  -2.181   2.936
  127    HB2  ASN  18           HB2      ASN  18   0.471  -0.339   2.779
  128    HB3  ASN  18           HB3      ASN  18  -0.433   0.362   1.435
  129   HD21  ASN  18          HD21      ASN  18  -2.056   1.832   1.891
  130   HD22  ASN  18          HD22      ASN  18  -2.657   2.128   3.512
  131    H    TYR  19           H        TYR  19  -1.916  -1.410  -0.428
  132    HA   TYR  19           HA       TYR  19  -4.708  -0.638   0.171
  133    HD1  TYR  19           HD2      TYR  19  -5.302   1.968  -0.825
  134    HD2  TYR  19           HD1      TYR  19  -1.186   0.807  -1.310
  135    HE1  TYR  19           HE2      TYR  19  -4.581   4.120   0.190
  136    HE2  TYR  19           HE1      TYR  19  -0.458   2.967  -0.309
  137    HH   TYR  19           HH       TYR  19  -2.800   5.430   0.838
  138    HB2  TYR  19           HB2      TYR  19  -2.991  -0.516  -2.333
  139    HB3  TYR  19           HB3      TYR  19  -4.654   0.012  -2.229
  140    H    CYS  20           H        CYS  20  -3.265  -3.572  -0.263
  141    HA   CYS  20           HA       CYS  20  -5.116  -4.805  -2.132
  142    HB2  CYS  20           HB2      CYS  20  -3.405  -6.071   0.033
  143    HB3  CYS  20           HB3      CYS  20  -4.242  -6.931  -1.254
  144    H    ASN  21           H        ASN  21  -6.694  -6.398  -1.670
  145    HA   ASN  21           HA       ASN  21  -8.119  -6.258   0.955
  146    HB2  ASN  21           HB2      ASN  21  -9.138  -4.633  -0.625
  147    HB3  ASN  21           HB3      ASN  21  -9.353  -5.908  -1.820
  148   HD21  ASN  21          HD21      ASN  21 -10.606  -7.881  -0.878
  149   HD22  ASN  21          HD22      ASN  21 -12.095  -7.435  -0.012
  150    HA   PHE   1           HA       PHE   1  11.052  -5.599  -2.739
  151    HD1  PHE   1           HD1      PHE   1   8.582  -5.814  -1.852
  152    HD2  PHE   1           HD2      PHE   1  10.894  -4.260   1.455
  153    HE1  PHE   1           HE1      PHE   1   7.263  -7.194  -0.273
  154    HE2  PHE   1           HE2      PHE   1   9.562  -5.644   3.026
  155    HZ   PHE   1           HZ       PHE   1   7.750  -7.117   2.162
  156    H1   PHE   1           H1       PHE   1  12.177  -6.231  -0.729
  157    H2   PHE   1           H2       PHE   1  13.192  -4.942  -0.832
  158    H3   PHE   1           H3       PHE   1  13.250  -6.122  -1.960
  159    HB2  PHE   1           HB2      PHE   1  11.188  -3.329  -0.720
  160    HB3  PHE   1           HB3      PHE   1   9.921  -3.552  -1.908
  161    H    VAL   2           H        VAL   2  10.543  -3.605  -4.146
  162    HA   VAL   2           HA       VAL   2  12.904  -1.935  -4.809
  163    HB   VAL   2           HB       VAL   2  12.471  -2.179  -7.226
  164   HG11  VAL   2          HG11      VAL   2  14.264  -3.495  -6.140
  165   HG12  VAL   2          HG12      VAL   2  13.140  -4.852  -5.920
  166   HG13  VAL   2          HG13      VAL   2  13.579  -4.320  -7.551
  167   HG21  VAL   2          HG21      VAL   2  10.121  -2.983  -7.194
  168   HG22  VAL   2          HG22      VAL   2  11.162  -4.049  -8.138
  169   HG23  VAL   2          HG23      VAL   2  10.662  -4.532  -6.507
  170    H    ASN   3           H        ASN   3  12.338  -0.047  -6.090
  171    HA   ASN   3           HA       ASN   3   9.545   0.941  -5.661
  172    HB2  ASN   3           HB2      ASN   3  12.215   2.392  -5.296
  173    HB3  ASN   3           HB3      ASN   3  10.664   3.196  -5.389
  174   HD21  ASN   3          HD21      ASN   3  10.269   4.000  -3.377
  175   HD22  ASN   3          HD22      ASN   3  10.380   3.045  -1.908
  176    H    GLN   4           H        GLN   4   8.627   2.235  -7.177
  177    HA   GLN   4           HA       GLN   4  10.056   2.847  -9.705
  178    HB2  GLN   4           HB2      GLN   4   7.552   1.098  -9.510
  179    HB3  GLN   4           HB3      GLN   4   8.164   1.809 -11.004
  180    HG2  GLN   4           HG2      GLN   4  10.315   0.561 -10.683
  181    HG3  GLN   4           HG3      GLN   4   9.606  -0.260  -9.288
  182   HE21  GLN   4          HE21      GLN   4  10.611  -1.605 -11.643
  183   HE22  GLN   4          HE22      GLN   4   9.229  -2.404 -12.373
  184    H    HIS   5           H        HIS   5   8.855   4.334 -11.071
  185    HA   HIS   5           HA       HIS   5   6.770   5.969  -9.703
  186    HD1  HIS   5           HD1      HIS   5   7.547   8.711  -9.369
  187    HD2  HIS   5           HD2      HIS   5  10.668   7.014 -11.627
  188    HE1  HIS   5           HE1      HIS   5   9.661   9.931  -8.691
  189    HB2  HIS   5           HB2      HIS   5   8.236   6.312 -12.357
  190    HB3  HIS   5           HB3      HIS   5   6.942   7.356 -11.779
  191    H    LEU   6           H        LEU   6   4.647   5.722 -10.246
  192    HA   LEU   6           HA       LEU   6   3.831   3.885 -12.436
  193    HG   LEU   6           HG       LEU   6   5.487   2.479 -10.254
  194    HB2  LEU   6           HB2      LEU   6   3.282   3.515  -9.465
  195    HB3  LEU   6           HB3      LEU   6   2.474   2.621 -10.730
  196   HD11  LEU   6          HD11      LEU   6   3.256   0.655  -9.293
  197   HD12  LEU   6          HD12      LEU   6   4.313   1.671  -8.286
  198   HD13  LEU   6          HD13      LEU   6   4.996   0.296  -9.176
  199   HD21  LEU   6          HD21      LEU   6   3.553   0.739 -11.878
  200   HD22  LEU   6          HD22      LEU   6   5.281   0.410 -11.634
  201   HD23  LEU   6          HD23      LEU   6   4.779   1.831 -12.551
  202    H    CYS   7           H        CYS   7   1.911   4.449 -13.303
  203    HA   CYS   7           HA       CYS   7   0.031   6.202 -11.863
  204    HB2  CYS   7           HB2      CYS   7   1.961   7.480 -13.074
  205    HB3  CYS   7           HB3      CYS   7   1.074   7.115 -14.548
  206    H    GLY   8           H        GLY   8  -1.959   6.408 -12.897
  207    HA2  GLY   8           HA2      GLY   8  -3.884   5.494 -13.884
  208    HA3  GLY   8           HA3      GLY   8  -2.882   5.574 -15.329
  209    H    SER   9           H        SER   9  -3.109   3.777 -16.459
  210    HA   SER   9           HA       SER   9  -4.053   1.272 -15.545
  211    HG   SER   9           HG       SER   9  -4.424   2.138 -19.013
  212    HB2  SER   9           HB2      SER   9  -2.346   1.835 -18.002
  213    HB3  SER   9           HB3      SER   9  -3.439   0.464 -17.746
  214    H    HIS  10           H        HIS  10  -0.705   2.488 -15.704
  215    HA   HIS  10           HA       HIS  10   0.516  -0.152 -15.326
  216    HD1  HIS  10           HD1      HIS  10   2.464  -0.288 -17.434
  217    HD2  HIS  10           HD2      HIS  10   1.169   3.718 -17.409
  218    HE1  HIS  10           HE1      HIS  10   2.402   0.457 -19.867
  219    HB2  HIS  10           HB2      HIS  10   1.616   2.674 -15.048
  220    HB3  HIS  10           HB3      HIS  10   2.578   1.200 -15.010
  221    H    LEU  11           H        LEU  11  -0.479   2.534 -13.182
  222    HA   LEU  11           HA       LEU  11   0.531   1.286 -10.754
  223    HG   LEU  11           HG       LEU  11  -1.859   2.418  -8.946
  224    HB2  LEU  11           HB2      LEU  11   0.075   3.696 -10.918
  225    HB3  LEU  11           HB3      LEU  11  -1.633   3.384 -11.224
  226   HD11  LEU  11          HD11      LEU  11   0.444   1.618  -8.531
  227   HD12  LEU  11          HD12      LEU  11  -0.047   2.774  -7.292
  228   HD13  LEU  11          HD13      LEU  11   1.050   3.291  -8.589
  229   HD21  LEU  11          HD21      LEU  11  -0.601   5.193  -9.006
  230   HD22  LEU  11          HD22      LEU  11  -1.673   4.546  -7.744
  231   HD23  LEU  11          HD23      LEU  11  -2.299   4.806  -9.382
  232    H    VAL  12           H        VAL  12  -2.639   1.290 -12.406
  233    HA   VAL  12           HA       VAL  12  -3.986  -0.466 -10.614
  234    HB   VAL  12           HB       VAL  12  -4.349   0.099 -13.568
  235   HG11  VAL  12          HG11      VAL  12  -6.179  -1.615 -11.840
  236   HG12  VAL  12          HG12      VAL  12  -6.581  -0.988 -13.445
  237   HG13  VAL  12          HG13      VAL  12  -5.273  -2.158 -13.269
  238   HG21  VAL  12          HG21      VAL  12  -6.003   0.832 -11.113
  239   HG22  VAL  12          HG22      VAL  12  -4.871   1.919 -11.930
  240   HG23  VAL  12          HG23      VAL  12  -6.321   1.352 -12.780
  241    H    GLU  13           H        GLU  13  -1.985  -1.274 -13.479
  242    HA   GLU  13           HA       GLU  13  -2.191  -4.106 -13.273
  243    HB2  GLU  13           HB2      GLU  13  -1.373  -2.841 -15.229
  244    HB3  GLU  13           HB3      GLU  13   0.089  -2.393 -14.348
  245    HG2  GLU  13           HG2      GLU  13   0.780  -4.737 -14.211
  246    HG3  GLU  13           HG3      GLU  13  -0.752  -5.263 -14.932
  247    H    ALA  14           H        ALA  14   0.271  -1.849 -11.896
  248    HA   ALA  14           HA       ALA  14   1.852  -3.826 -10.607
  249    HB1  ALA  14           HB1      ALA  14   1.357  -0.923  -9.807
  250    HB2  ALA  14           HB2      ALA  14   2.717  -1.943  -9.287
  251    HB3  ALA  14           HB3      ALA  14   2.556  -1.491 -10.993
  252    H    LEU  15           H        LEU  15  -0.938  -1.966  -9.284
  253    HA   LEU  15           HA       LEU  15  -1.015  -3.185  -6.702
  254    HG   LEU  15           HG       LEU  15  -1.362  -0.492  -7.329
  255    HB2  LEU  15           HB2      LEU  15  -3.139  -1.983  -8.526
  256    HB3  LEU  15           HB3      LEU  15  -3.522  -2.588  -6.916
  257   HD11  LEU  15          HD11      LEU  15  -3.019   1.225  -6.836
  258   HD12  LEU  15          HD12      LEU  15  -4.308   0.015  -6.728
  259   HD13  LEU  15          HD13      LEU  15  -3.513   0.336  -8.283
  260   HD21  LEU  15          HD21      LEU  15  -1.862   0.024  -4.953
  261   HD22  LEU  15          HD22      LEU  15  -1.392  -1.668  -5.126
  262   HD23  LEU  15          HD23      LEU  15  -3.103  -1.239  -4.927
  263    H    TYR  16           H        TYR  16  -2.778  -4.181  -9.703
  264    HA   TYR  16           HA       TYR  16  -3.957  -6.512  -8.657
  265    HD1  TYR  16           HD1      TYR  16  -5.715  -7.929 -10.013
  266    HD2  TYR  16           HD2      TYR  16  -2.344  -7.659 -12.687
  267    HE1  TYR  16           HE1      TYR  16  -6.201 -10.220 -10.851
  268    HE2  TYR  16           HE2      TYR  16  -2.824  -9.950 -13.530
  269    HH   TYR  16           HH       TYR  16  -5.561 -11.909 -12.278
  270    HB2  TYR  16           HB2      TYR  16  -4.589  -5.649 -10.804
  271    HB3  TYR  16           HB3      TYR  16  -2.958  -5.784 -11.422
  272    H    LEU  17           H        LEU  17  -0.694  -6.165 -10.082
  273    HA   LEU  17           HA       LEU  17  -0.032  -8.972  -9.761
  274    HG   LEU  17           HG       LEU  17   0.119  -7.245 -12.206
  275    HB2  LEU  17           HB2      LEU  17   1.642  -6.491 -10.319
  276    HB3  LEU  17           HB3      LEU  17   2.320  -8.117 -10.283
  277   HD11  LEU  17          HD11      LEU  17   3.110  -7.606 -12.664
  278   HD12  LEU  17          HD12      LEU  17   2.243  -6.056 -12.616
  279   HD13  LEU  17          HD13      LEU  17   1.904  -7.225 -13.906
  280   HD21  LEU  17          HD21      LEU  17   0.049  -9.664 -11.823
  281   HD22  LEU  17          HD22      LEU  17   1.809  -9.781 -12.091
  282   HD23  LEU  17          HD23      LEU  17   0.718  -9.325 -13.423
  283    H    VAL  18           H        VAL  18   0.628  -6.143  -7.741
  284    HA   VAL  18           HA       VAL  18   2.275  -7.532  -5.799
  285    HB   VAL  18           HB       VAL  18   0.640  -4.980  -5.686
  286   HG11  VAL  18          HG11      VAL  18   0.591  -5.763  -3.375
  287   HG12  VAL  18          HG12      VAL  18   2.337  -6.109  -3.416
  288   HG13  VAL  18          HG13      VAL  18   1.742  -4.439  -3.527
  289   HG21  VAL  18          HG21      VAL  18   2.858  -3.927  -5.617
  290   HG22  VAL  18          HG22      VAL  18   3.645  -5.510  -5.496
  291   HG23  VAL  18          HG23      VAL  18   2.814  -5.043  -6.986
  292    H    CYS  19           H        CYS  19  -1.238  -6.889  -5.994
  293    HA   CYS  19           HA       CYS  19  -1.767  -8.185  -3.449
  294    HB2  CYS  19           HB2      CYS  19  -3.623  -7.174  -5.626
  295    HB3  CYS  19           HB3      CYS  19  -4.124  -7.687  -4.020
  296    H    GLY  20           H        GLY  20  -1.912  -9.296  -6.815
  297    HA2  GLY  20           HA2      GLY  20  -1.921 -11.460  -7.636
  298    HA3  GLY  20           HA3      GLY  20  -1.692 -12.034  -5.977
  299    H    GLU  21           H        GLU  21  -3.276 -13.218  -5.150
  300    HA   GLU  21           HA       GLU  21  -5.852 -13.577  -6.459
  301    HB2  GLU  21           HB2      GLU  21  -4.793 -14.522  -3.765
  302    HB3  GLU  21           HB3      GLU  21  -6.320 -15.038  -4.487
  303    HG2  GLU  21           HG2      GLU  21  -3.547 -15.540  -5.654
  304    HG3  GLU  21           HG3      GLU  21  -4.529 -16.707  -4.785
  305    H    ARG  22           H        ARG  22  -4.672 -11.412  -3.985
  306    HA   ARG  22           HA       ARG  22  -7.267 -10.763  -2.783
  307    HE   ARG  22           HE       ARG  22  -2.636 -10.332  -2.047
  308    HB2  ARG  22           HB2      ARG  22  -4.608  -9.305  -2.719
  309    HB3  ARG  22           HB3      ARG  22  -5.997  -8.921  -1.725
  310    HG2  ARG  22           HG2      ARG  22  -5.832 -10.979  -0.502
  311    HG3  ARG  22           HG3      ARG  22  -4.632 -11.662  -1.611
  312    HD2  ARG  22           HD2      ARG  22  -4.154  -9.182   0.079
  313    HD3  ARG  22           HD3      ARG  22  -3.687 -10.821   0.546
  314   HH11  ARG  22          HH11      ARG  22  -1.998  -9.229   1.296
  315   HH12  ARG  22          HH12      ARG  22  -0.310  -8.939   0.899
  316   HH21  ARG  22          HH21      ARG  22  -0.394  -9.893  -2.343
  317   HH22  ARG  22          HH22      ARG  22   0.504  -9.254  -0.976
  318    H    GLY  23           H        GLY  23  -8.333  -8.736  -3.017
  319    HA2  GLY  23           HA2      GLY  23  -8.270  -7.476  -5.709
  320    HA3  GLY  23           HA3      GLY  23  -9.362  -7.079  -4.360
  321    H    PHE  24           H        PHE  24  -8.596  -4.899  -5.416
  322    HA   PHE  24           HA       PHE  24  -6.793  -3.654  -3.480
  323    HD1  PHE  24           HD2      PHE  24  -6.134  -5.727  -7.102
  324    HD2  PHE  24           HD1      PHE  24  -6.228  -1.418  -7.048
  325    HE1  PHE  24           HE2      PHE  24  -6.672  -5.701  -9.528
  326    HE2  PHE  24           HE1      PHE  24  -6.707  -1.399  -9.485
  327    HZ   PHE  24           HZ       PHE  24  -6.948  -3.546 -10.720
  328    HB2  PHE  24           HB2      PHE  24  -5.289  -2.706  -5.146
  329    HB3  PHE  24           HB3      PHE  24  -5.231  -4.454  -5.203
  330    H    PHE  25           H        PHE  25  -6.703  -1.283  -3.705
  331    HA   PHE  25           HA       PHE  25  -8.655   0.002  -5.490
  332    HD1  PHE  25           HD2      PHE  25 -11.052   1.125  -5.339
  333    HD2  PHE  25           HD1      PHE  25  -8.761   2.677  -2.025
  334    HE1  PHE  25           HE2      PHE  25 -12.042   3.371  -5.703
  335    HE2  PHE  25           HE1      PHE  25  -9.770   4.918  -2.386
  336    HZ   PHE  25           HZ       PHE  25 -11.385   5.276  -4.236
  337    HB2  PHE  25           HB2      PHE  25  -9.995  -0.380  -3.487
  338    HB3  PHE  25           HB3      PHE  25  -8.750   0.332  -2.472
  339    H    TYR  26           H        TYR  26  -7.708   1.668  -6.442
  340    HA   TYR  26           HA       TYR  26  -5.216   2.837  -5.418
  341    HD1  TYR  26           HD2      TYR  26  -6.930   0.804  -8.468
  342    HD2  TYR  26           HD1      TYR  26  -7.348   5.089  -8.567
  343    HE1  TYR  26           HE2      TYR  26  -8.853   0.574 -10.030
  344    HE2  TYR  26           HE1      TYR  26  -9.248   4.873 -10.149
  345    HH   TYR  26           HH       TYR  26 -10.445   1.673 -11.280
  346    HB2  TYR  26           HB2      TYR  26  -5.320   4.017  -7.641
  347    HB3  TYR  26           HB3      TYR  26  -5.129   2.289  -7.690
  348    H    THR  27           H        THR  27  -5.236   4.581  -4.075
  349    HA   THR  27           HA       THR  27  -7.631   6.179  -3.768
  350    HB   THR  27           HB       THR  27  -6.215   7.509  -2.150
  351    HG1  THR  27           HG1      THR  27  -4.349   6.194  -1.482
  352   HG21  THR  27          HG21      THR  27  -6.447   4.500  -1.719
  353   HG22  THR  27          HG22      THR  27  -7.732   5.692  -1.447
  354   HG23  THR  27          HG23      THR  27  -6.272   5.739  -0.453
  355    HA   PRO  28           HA       PRO  28  -6.443   8.917  -7.028
  356    HB2  PRO  28           HB2      PRO  28  -8.655  10.414  -7.259
  357    HB3  PRO  28           HB3      PRO  28  -8.732   8.639  -7.393
  358    HG2  PRO  28           HG2      PRO  28  -9.254  10.292  -4.891
  359    HG3  PRO  28           HG3      PRO  28 -10.341   9.087  -5.662
  360    HD2  PRO  28           HD2      PRO  28  -8.636   8.408  -3.627
  361    HD3  PRO  28           HD3      PRO  28  -9.014   7.290  -4.977
  362    H    LYS  29           H        LYS  29  -7.691  11.778  -6.632
  363    HA   LYS  29           HA       LYS  29  -5.381  13.168  -5.718
  364    HB2  LYS  29           HB2      LYS  29  -7.171  13.929  -7.333
  365    HB3  LYS  29           HB3      LYS  29  -8.291  14.064  -5.979
  366    HG2  LYS  29           HG2      LYS  29  -7.508  16.245  -6.548
  367    HG3  LYS  29           HG3      LYS  29  -6.819  15.839  -4.980
  368    HD2  LYS  29           HD2      LYS  29  -4.653  15.276  -6.086
  369    HD3  LYS  29           HD3      LYS  29  -5.376  15.641  -7.665
  370    HE2  LYS  29           HE2      LYS  29  -5.834  17.983  -6.855
  371    HE3  LYS  29           HE3      LYS  29  -5.010  17.585  -5.342
  372    HZ1  LYS  29           HZ1      LYS  29  -3.007  17.087  -6.679
  373    HZ2  LYS  29           HZ2      LYS  29  -3.474  18.656  -6.830
  374    HZ3  LYS  29           HZ3      LYS  29  -3.766  17.585  -8.029
  375    H    THR  30           H        THR  30  -8.131  11.927  -3.971
  376    HA   THR  30           HA       THR  30  -8.292  13.472  -1.638
  377    HB   THR  30           HB       THR  30  -8.634  10.456  -1.836
  378    HG1  THR  30           HG1      THR  30 -10.476  12.535  -2.419
  379   HG21  THR  30          HG21      THR  30 -10.471  10.850  -0.198
  380   HG22  THR  30          HG22      THR  30  -9.976  12.554  -0.060
  381   HG23  THR  30          HG23      THR  30  -8.887  11.260   0.462
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -1.741  11.512  -1.999
    2    H2   GLY   1           H2       GLY   1  -3.326  11.740  -1.638
    3    H3   GLY   1           H3       GLY   1  -2.873  11.447  -3.182
    4    HA2  GLY   1           HA2      GLY   1  -2.685   9.539  -0.931
    5    HA3  GLY   1           HA3      GLY   1  -3.852   9.463  -2.258
    6    H    ILE   2           H        ILE   2  -2.728   7.215  -2.211
    7    HA   ILE   2           HA       ILE   2  -0.011   6.921  -2.924
    8    HB   ILE   2           HB       ILE   2  -1.352   5.175  -1.896
    9   HG12  ILE   2          HG12      ILE   2  -0.556   3.201  -3.108
   10   HG13  ILE   2          HG13      ILE   2  -0.169   4.181  -4.521
   11   HG21  ILE   2          HG21      ILE   2  -2.887   3.733  -3.185
   12   HG22  ILE   2          HG22      ILE   2  -3.472   5.394  -3.149
   13   HG23  ILE   2          HG23      ILE   2  -2.693   4.747  -4.613
   14   HD11  ILE   2          HD11      ILE   2   1.579   5.358  -3.251
   15   HD12  ILE   2          HD12      ILE   2   1.085   4.537  -1.753
   16   HD13  ILE   2          HD13      ILE   2   1.807   3.615  -3.092
   17    H    VAL   3           H        VAL   3  -2.780   7.163  -5.178
   18    HA   VAL   3           HA       VAL   3  -1.208   6.447  -7.489
   19    HB   VAL   3           HB       VAL   3  -3.708   8.162  -7.390
   20   HG11  VAL   3          HG11      VAL   3  -2.560   8.558  -9.522
   21   HG12  VAL   3          HG12      VAL   3  -2.374   6.808  -9.775
   22   HG13  VAL   3          HG13      VAL   3  -3.985   7.559  -9.790
   23   HG21  VAL   3          HG21      VAL   3  -4.855   6.087  -8.129
   24   HG22  VAL   3          HG22      VAL   3  -3.327   5.192  -7.963
   25   HG23  VAL   3          HG23      VAL   3  -4.110   5.891  -6.537
   26    H    GLU   4           H        GLU   4  -2.067   9.644  -6.118
   27    HA   GLU   4           HA       GLU   4  -0.603  11.298  -7.890
   28    HB2  GLU   4           HB2      GLU   4  -2.256  12.123  -6.305
   29    HB3  GLU   4           HB3      GLU   4  -1.286  11.557  -4.944
   30    HG2  GLU   4           HG2      GLU   4   0.482  13.207  -5.498
   31    HG3  GLU   4           HG3      GLU   4  -0.482  13.750  -6.884
   32    H    GLN   5           H        GLN   5   0.459   9.750  -4.790
   33    HA   GLN   5           HA       GLN   5   3.094  10.826  -4.837
   34    HB2  GLN   5           HB2      GLN   5   1.942   9.807  -2.857
   35    HB3  GLN   5           HB3      GLN   5   2.141   8.206  -3.591
   36    HG2  GLN   5           HG2      GLN   5   4.637   8.564  -3.582
   37    HG3  GLN   5           HG3      GLN   5   4.390  10.128  -2.798
   38   HE21  GLN   5          HE21      GLN   5   3.691   6.606  -2.380
   39   HE22  GLN   5          HE22      GLN   5   3.957   6.634  -0.639
   40    H    CYS   6           H        CYS   6   1.918   7.606  -6.045
   41    HA   CYS   6           HA       CYS   6   4.473   6.736  -6.999
   42    HB2  CYS   6           HB2      CYS   6   1.627   6.071  -7.775
   43    HB3  CYS   6           HB3      CYS   6   3.016   5.250  -8.449
   44    H    CYS   7           H        CYS   7   1.988   8.698  -8.600
   45    HA   CYS   7           HA       CYS   7   3.240   8.541 -11.194
   46    HB2  CYS   7           HB2      CYS   7   1.145  10.356  -9.919
   47    HB3  CYS   7           HB3      CYS   7   1.619  10.507 -11.590
   48    H    THR   8           H        THR   8   3.364  10.925  -8.529
   49    HA   THR   8           HA       THR   8   5.026  12.796 -10.129
   50    HB   THR   8           HB       THR   8   4.732  14.342  -8.252
   51    HG1  THR   8           HG1      THR   8   3.014  12.382  -7.133
   52   HG21  THR   8          HG21      THR   8   3.042  14.307 -10.044
   53   HG22  THR   8          HG22      THR   8   2.342  14.753  -8.476
   54   HG23  THR   8          HG23      THR   8   2.081  13.122  -9.137
   55    H    SER   9           H        SER   9   5.506  10.471  -7.557
   56    HA   SER   9           HA       SER   9   8.399  11.166  -7.444
   57    HG   SER   9           HG       SER   9   8.601  11.664  -4.022
   58    HB2  SER   9           HB2      SER   9   7.075  12.276  -5.587
   59    HB3  SER   9           HB3      SER   9   6.704  10.646  -4.983
   60    H    ILE  10           H        ILE  10   9.132   9.308  -5.553
   61    HA   ILE  10           HA       ILE  10   8.735   6.711  -6.991
   62    HB   ILE  10           HB       ILE  10  10.692   7.575  -4.826
   63   HG12  ILE  10          HG12      ILE  10  11.239   8.507  -7.041
   64   HG13  ILE  10          HG13      ILE  10  12.430   7.361  -6.473
   65   HG21  ILE  10          HG21      ILE  10  10.349   4.863  -6.146
   66   HG22  ILE  10          HG22      ILE  10  11.806   5.353  -5.249
   67   HG23  ILE  10          HG23      ILE  10  10.253   5.255  -4.419
   68   HD11  ILE  10          HD11      ILE  10  11.567   5.634  -8.017
   69   HD12  ILE  10          HD12      ILE  10  10.305   6.764  -8.569
   70   HD13  ILE  10          HD13      ILE  10  12.016   7.114  -8.875
   71    H    CYS  11           H        CYS  11   7.552   5.080  -6.209
   72    HA   CYS  11           HA       CYS  11   6.810   5.087  -3.315
   73    HB2  CYS  11           HB2      CYS  11   4.581   4.422  -3.761
   74    HB3  CYS  11           HB3      CYS  11   4.892   5.857  -4.722
   75    H    SER  12           H        SER  12   6.098   2.916  -2.554
   76    HA   SER  12           HA       SER  12   7.906   0.823  -3.691
   77    HG   SER  12           HG       SER  12   7.149   0.981   0.305
   78    HB2  SER  12           HB2      SER  12   8.080  -0.069  -1.454
   79    HB3  SER  12           HB3      SER  12   8.536   1.642  -1.455
   80    H    LEU  13           H        LEU  13   7.286  -1.391  -3.511
   81    HA   LEU  13           HA       LEU  13   4.562  -2.005  -4.235
   82    HG   LEU  13           HG       LEU  13   7.674  -2.762  -5.208
   83    HB2  LEU  13           HB2      LEU  13   6.792  -3.812  -3.200
   84    HB3  LEU  13           HB3      LEU  13   5.329  -4.322  -4.029
   85   HD11  LEU  13          HD11      LEU  13   8.017  -5.186  -4.904
   86   HD12  LEU  13          HD12      LEU  13   7.950  -4.751  -6.620
   87   HD13  LEU  13          HD13      LEU  13   6.548  -5.519  -5.842
   88   HD21  LEU  13          HD21      LEU  13   5.636  -1.869  -6.254
   89   HD22  LEU  13          HD22      LEU  13   5.077  -3.517  -6.608
   90   HD23  LEU  13          HD23      LEU  13   6.537  -2.880  -7.392
   91    H    TYR  14           H        TYR  14   6.338  -2.074  -1.168
   92    HA   TYR  14           HA       TYR  14   4.291  -3.254   0.437
   93    HD1  TYR  14           HD1      TYR  14   4.994  -4.350   2.708
   94    HD2  TYR  14           HD2      TYR  14   5.844  -0.141   3.136
   95    HE1  TYR  14           HE1      TYR  14   4.204  -4.431   5.061
   96    HE2  TYR  14           HE2      TYR  14   5.062  -0.222   5.499
   97    HH   TYR  14           HH       TYR  14   3.852  -3.260   7.003
   98    HB2  TYR  14           HB2      TYR  14   6.625  -3.017   1.149
   99    HB3  TYR  14           HB3      TYR  14   6.477  -1.265   1.144
  100    H    GLN  15           H        GLN  15   4.756   0.111  -0.611
  101    HA   GLN  15           HA       GLN  15   2.499   1.129   0.976
  102    HB2  GLN  15           HB2      GLN  15   4.221   2.288  -1.239
  103    HB3  GLN  15           HB3      GLN  15   2.782   3.116  -0.657
  104    HG2  GLN  15           HG2      GLN  15   3.626   3.239   1.605
  105    HG3  GLN  15           HG3      GLN  15   5.033   2.254   1.199
  106   HE21  GLN  15          HE21      GLN  15   6.645   3.183  -0.310
  107   HE22  GLN  15          HE22      GLN  15   6.789   4.945  -0.400
  108    H    LEU  16           H        LEU  16   2.858  -0.132  -2.377
  109    HA   LEU  16           HA       LEU  16   0.079   0.353  -3.077
  110    HG   LEU  16           HG       LEU  16   2.632   0.623  -4.776
  111    HB2  LEU  16           HB2      LEU  16   2.121  -1.707  -4.027
  112    HB3  LEU  16           HB3      LEU  16   0.512  -1.574  -4.706
  113   HD11  LEU  16          HD11      LEU  16   1.594  -1.248  -6.955
  114   HD12  LEU  16          HD12      LEU  16   3.187  -1.335  -6.185
  115   HD13  LEU  16          HD13      LEU  16   2.764   0.068  -7.174
  116   HD21  LEU  16          HD21      LEU  16   1.110   1.702  -6.442
  117   HD22  LEU  16          HD22      LEU  16   0.390   1.633  -4.841
  118   HD23  LEU  16          HD23      LEU  16  -0.123   0.476  -6.084
  119    H    GLU  17           H        GLU  17   1.699  -2.410  -1.456
  120    HA   GLU  17           HA       GLU  17  -0.497  -4.117  -1.399
  121    HB2  GLU  17           HB2      GLU  17   1.840  -4.719  -0.863
  122    HB3  GLU  17           HB3      GLU  17   1.673  -3.923   0.714
  123    HG2  GLU  17           HG2      GLU  17  -0.011  -5.517   1.412
  124    HG3  GLU  17           HG3      GLU  17  -0.164  -6.158  -0.232
  125    H    ASN  18           H        ASN  18   0.028  -1.336   0.702
  126    HA   ASN  18           HA       ASN  18  -1.825  -1.850   2.781
  127    HB2  ASN  18           HB2      ASN  18  -0.242   0.028   2.722
  128    HB3  ASN  18           HB3      ASN  18  -1.083   0.731   1.344
  129   HD21  ASN  18          HD21      ASN  18  -2.896   2.052   1.719
  130   HD22  ASN  18          HD22      ASN  18  -3.527   2.349   3.329
  131    H    TYR  19           H        TYR  19  -2.445  -1.081  -0.611
  132    HA   TYR  19           HA       TYR  19  -5.295  -0.427  -0.128
  133    HD1  TYR  19           HD1      TYR  19  -1.797   1.158  -1.266
  134    HD2  TYR  19           HD2      TYR  19  -5.957   2.250  -1.162
  135    HE1  TYR  19           HE1      TYR  19  -1.190   3.298  -0.157
  136    HE2  TYR  19           HE2      TYR  19  -5.363   4.415  -0.086
  137    HH   TYR  19           HH       TYR  19  -1.982   5.276   0.741
  138    HB2  TYR  19           HB2      TYR  19  -3.456  -0.125  -2.536
  139    HB3  TYR  19           HB3      TYR  19  -5.147   0.304  -2.503
  140    H    CYS  20           H        CYS  20  -3.731  -3.270  -0.513
  141    HA   CYS  20           HA       CYS  20  -5.467  -4.618  -2.419
  142    HB2  CYS  20           HB2      CYS  20  -3.828  -5.745  -0.126
  143    HB3  CYS  20           HB3      CYS  20  -4.593  -6.681  -1.405
  144    H    ASN  21           H        ASN  21  -6.982  -6.280  -1.902
  145    HA   ASN  21           HA       ASN  21  -8.541  -6.006   0.628
  146    HB2  ASN  21           HB2      ASN  21  -9.537  -4.523  -1.091
  147    HB3  ASN  21           HB3      ASN  21  -9.642  -5.873  -2.219
  148   HD21  ASN  21          HD22      ASN  21 -10.871  -7.845  -1.230
  149   HD22  ASN  21          HD21      ASN  21 -12.424  -7.417  -0.485
  150    HA   PHE   1           HA       PHE   1  13.281  -3.909  -4.655
  151    HD1  PHE   1           HD2      PHE   1  15.775  -3.701  -5.509
  152    HD2  PHE   1           HD1      PHE   1  15.185  -7.731  -4.082
  153    HE1  PHE   1           HE2      PHE   1  17.992  -3.635  -4.397
  154    HE2  PHE   1           HE1      PHE   1  17.399  -7.657  -2.970
  155    HZ   PHE   1           HZ       PHE   1  18.805  -5.607  -3.126
  156    H1   PHE   1           H1       PHE   1  12.199  -6.419  -3.570
  157    H2   PHE   1           H2       PHE   1  11.916  -4.919  -2.978
  158    H3   PHE   1           H3       PHE   1  13.425  -5.552  -2.916
  159    HB2  PHE   1           HB2      PHE   1  13.614  -6.774  -5.640
  160    HB3  PHE   1           HB3      PHE   1  14.077  -5.349  -6.554
  161    H    VAL   2           H        VAL   2  10.423  -3.704  -6.788
  162    HA   VAL   2           HA       VAL   2  12.611  -2.289  -5.401
  163    HB   VAL   2           HB       VAL   2  13.688  -3.275  -7.386
  164   HG11  VAL   2          HG11      VAL   2  11.771  -3.315  -8.971
  165   HG12  VAL   2          HG12      VAL   2  11.851  -1.543  -9.089
  166   HG13  VAL   2          HG13      VAL   2  13.206  -2.534  -9.651
  167   HG21  VAL   2          HG21      VAL   2  14.827  -1.302  -8.160
  168   HG22  VAL   2          HG22      VAL   2  13.501  -0.256  -7.628
  169   HG23  VAL   2          HG23      VAL   2  14.481  -1.132  -6.428
  170    H    ASN   3           H        ASN   3  12.360  -0.069  -5.334
  171    HA   ASN   3           HA       ASN   3   9.601   0.858  -5.588
  172    HB2  ASN   3           HB2      ASN   3  12.112   2.284  -4.621
  173    HB3  ASN   3           HB3      ASN   3  10.457   2.863  -4.439
  174   HD21  ASN   3          HD21      ASN   3  12.049   2.625  -2.179
  175   HD22  ASN   3          HD22      ASN   3  11.463   1.284  -1.214
  176    H    GLN   4           H        GLN   4   8.836   2.538  -6.938
  177    HA   GLN   4           HA       GLN   4  10.545   3.449  -9.201
  178    HB2  GLN   4           HB2      GLN   4   8.198   1.495  -9.387
  179    HB3  GLN   4           HB3      GLN   4   8.789   2.388 -10.771
  180    HG2  GLN   4           HG2      GLN   4  10.472   0.391  -9.205
  181    HG3  GLN   4           HG3      GLN   4   9.591   0.048 -10.677
  182   HE21  GLN   4          HE21      GLN   4  12.425   1.783  -9.372
  183   HE22  GLN   4          HE22      GLN   4  13.137   2.076 -10.959
  184    H    HIS   5           H        HIS   5   9.302   4.729 -10.799
  185    HA   HIS   5           HA       HIS   5   7.005   6.278  -9.728
  186    HD1  HIS   5           HD1      HIS   5   7.979   8.693  -9.410
  187    HD2  HIS   5           HD2      HIS   5  10.576   7.629 -12.535
  188    HE1  HIS   5           HE1      HIS   5  10.000  10.252  -9.227
  189    HB2  HIS   5           HB2      HIS   5   8.375   6.298 -12.460
  190    HB3  HIS   5           HB3      HIS   5   7.066   7.356 -11.955
  191    H    LEU   6           H        LEU   6   4.897   5.863 -10.451
  192    HA   LEU   6           HA       LEU   6   4.329   3.773 -12.454
  193    HG   LEU   6           HG       LEU   6   5.819   2.247 -10.314
  194    HB2  LEU   6           HB2      LEU   6   3.801   3.477  -9.465
  195    HB3  LEU   6           HB3      LEU   6   2.814   2.649 -10.651
  196   HD11  LEU   6          HD11      LEU   6   3.463   0.556  -9.414
  197   HD12  LEU   6          HD12      LEU   6   4.576   1.456  -8.363
  198   HD13  LEU   6          HD13      LEU   6   5.173   0.086  -9.310
  199   HD21  LEU   6          HD21      LEU   6   3.743   0.720 -11.974
  200   HD22  LEU   6          HD22      LEU   6   5.437   0.232 -11.738
  201   HD23  LEU   6          HD23      LEU   6   5.066   1.708 -12.627
  202    H    CYS   7           H        CYS   7   2.349   4.192 -13.437
  203    HA   CYS   7           HA       CYS   7   0.401   5.905 -12.101
  204    HB2  CYS   7           HB2      CYS   7   2.337   7.320 -13.147
  205    HB3  CYS   7           HB3      CYS   7   1.558   6.968 -14.683
  206    H    GLY   8           H        GLY   8  -1.532   6.157 -13.201
  207    HA2  GLY   8           HA2      GLY   8  -3.397   5.391 -14.360
  208    HA3  GLY   8           HA3      GLY   8  -2.286   5.322 -15.727
  209    H    SER   9           H        SER   9  -2.654   3.501 -16.781
  210    HA   SER   9           HA       SER   9  -3.749   1.081 -15.758
  211    HG   SER   9           HG       SER   9  -2.058   1.691 -19.425
  212    HB2  SER   9           HB2      SER   9  -2.934   0.152 -17.947
  213    HB3  SER   9           HB3      SER   9  -3.945   1.602 -18.079
  214    H    HIS  10           H        HIS  10  -0.306   2.055 -16.179
  215    HA   HIS  10           HA       HIS  10   0.689  -0.573 -15.432
  216    HD1  HIS  10           HD1      HIS  10   2.094  -1.463 -17.195
  217    HD2  HIS  10           HD2      HIS  10   2.503   2.627 -18.150
  218    HE1  HIS  10           HE1      HIS  10   2.526  -1.348 -19.697
  219    HB2  HIS  10           HB2      HIS  10   2.025   2.146 -15.624
  220    HB3  HIS  10           HB3      HIS  10   2.868   0.666 -15.168
  221    H    LEU  11           H        LEU  11  -0.198   2.292 -13.484
  222    HA   LEU  11           HA       LEU  11   0.830   1.163 -11.002
  223    HG   LEU  11           HG       LEU  11  -0.066   2.134  -8.994
  224    HB2  LEU  11           HB2      LEU  11   0.343   3.536 -11.232
  225    HB3  LEU  11           HB3      LEU  11  -1.369   3.238 -11.485
  226   HD11  LEU  11          HD11      LEU  11   0.804   4.415  -9.153
  227   HD12  LEU  11          HD12      LEU  11  -0.368   4.293  -7.830
  228   HD13  LEU  11          HD13      LEU  11  -0.838   5.057  -9.375
  229   HD21  LEU  11          HD21      LEU  11  -2.806   3.394  -9.536
  230   HD22  LEU  11          HD22      LEU  11  -2.260   2.770  -7.958
  231   HD23  LEU  11          HD23      LEU  11  -2.485   1.666  -9.308
  232    H    VAL  12           H        VAL  12  -2.382   1.127 -12.587
  233    HA   VAL  12           HA       VAL  12  -3.638  -0.532 -10.637
  234    HB   VAL  12           HB       VAL  12  -4.239  -0.115 -13.588
  235   HG11  VAL  12          HG11      VAL  12  -5.945  -1.578 -11.531
  236   HG12  VAL  12          HG12      VAL  12  -6.510  -1.044 -13.127
  237   HG13  VAL  12          HG13      VAL  12  -5.254  -2.280 -13.009
  238   HG21  VAL  12          HG21      VAL  12  -5.565   0.910 -11.036
  239   HG22  VAL  12          HG22      VAL  12  -4.508   1.861 -12.095
  240   HG23  VAL  12          HG23      VAL  12  -6.071   1.290 -12.698
  241    H    GLU  13           H        GLU  13  -1.808  -1.452 -13.549
  242    HA   GLU  13           HA       GLU  13  -2.014  -4.281 -13.372
  243    HB2  GLU  13           HB2      GLU  13  -1.199  -3.025 -15.316
  244    HB3  GLU  13           HB3      GLU  13   0.172  -2.431 -14.384
  245    HG2  GLU  13           HG2      GLU  13   1.135  -4.669 -14.254
  246    HG3  GLU  13           HG3      GLU  13  -0.283  -5.349 -15.062
  247    H    ALA  14           H        ALA  14   0.534  -2.067 -12.050
  248    HA   ALA  14           HA       ALA  14   2.057  -4.114 -10.756
  249    HB1  ALA  14           HB1      ALA  14   3.085  -2.223  -9.535
  250    HB2  ALA  14           HB2      ALA  14   2.931  -1.854 -11.261
  251    HB3  ALA  14           HB3      ALA  14   1.796  -1.139 -10.099
  252    H    LEU  15           H        LEU  15  -0.523  -2.000  -9.454
  253    HA   LEU  15           HA       LEU  15  -0.530  -2.973  -6.789
  254    HG   LEU  15           HG       LEU  15  -3.790  -2.738  -6.545
  255    HB2  LEU  15           HB2      LEU  15  -1.598  -0.896  -7.565
  256    HB3  LEU  15           HB3      LEU  15  -2.746  -1.811  -8.531
  257   HD11  LEU  15          HD11      LEU  15  -1.864  -2.838  -4.973
  258   HD12  LEU  15          HD12      LEU  15  -3.223  -1.956  -4.267
  259   HD13  LEU  15          HD13      LEU  15  -1.832  -1.059  -4.912
  260   HD21  LEU  15          HD21      LEU  15  -3.382   0.287  -6.367
  261   HD22  LEU  15          HD22      LEU  15  -4.757  -0.615  -5.685
  262   HD23  LEU  15          HD23      LEU  15  -4.528  -0.543  -7.443
  263    H    TYR  16           H        TYR  16  -2.588  -4.029  -9.569
  264    HA   TYR  16           HA       TYR  16  -3.862  -6.192  -8.292
  265    HD1  TYR  16           HD2      TYR  16  -5.755  -7.568  -9.346
  266    HD2  TYR  16           HD1      TYR  16  -2.708  -7.727 -12.395
  267    HE1  TYR  16           HE2      TYR  16  -6.485  -9.866  -9.948
  268    HE2  TYR  16           HE1      TYR  16  -3.428 -10.025 -12.997
  269    HH   TYR  16           HH       TYR  16  -4.909 -11.741 -12.575
  270    HB2  TYR  16           HB2      TYR  16  -4.558  -5.413 -10.467
  271    HB3  TYR  16           HB3      TYR  16  -2.989  -5.757 -11.169
  272    H    LEU  17           H        LEU  17  -0.678  -6.176  -9.927
  273    HA   LEU  17           HA       LEU  17  -0.155  -8.989  -9.469
  274    HG   LEU  17           HG       LEU  17  -0.037  -7.496 -11.979
  275    HB2  LEU  17           HB2      LEU  17   1.626  -6.644 -10.225
  276    HB3  LEU  17           HB3      LEU  17   2.227  -8.291 -10.095
  277   HD11  LEU  17          HD11      LEU  17   2.079  -6.346 -12.566
  278   HD12  LEU  17          HD12      LEU  17   1.645  -7.570 -13.765
  279   HD13  LEU  17          HD13      LEU  17   2.927  -7.903 -12.578
  280   HD21  LEU  17          HD21      LEU  17  -0.070  -9.900 -11.447
  281   HD22  LEU  17          HD22      LEU  17   1.664 -10.017 -11.805
  282   HD23  LEU  17          HD23      LEU  17   0.504  -9.650 -13.100
  283    H    VAL  18           H        VAL  18   0.676  -6.109  -7.591
  284    HA   VAL  18           HA       VAL  18   2.235  -7.459  -5.573
  285    HB   VAL  18           HB       VAL  18   0.635  -4.880  -5.575
  286   HG11  VAL  18          HG11      VAL  18   2.234  -5.968  -3.220
  287   HG12  VAL  18          HG12      VAL  18   1.648  -4.299  -3.399
  288   HG13  VAL  18          HG13      VAL  18   0.484  -5.610  -3.245
  289   HG21  VAL  18          HG21      VAL  18   2.844  -4.983  -6.792
  290   HG22  VAL  18          HG22      VAL  18   2.866  -3.852  -5.429
  291   HG23  VAL  18          HG23      VAL  18   3.620  -5.451  -5.275
  292    H    CYS  19           H        CYS  19  -1.266  -6.730  -5.830
  293    HA   CYS  19           HA       CYS  19  -1.928  -7.972  -3.325
  294    HB2  CYS  19           HB2      CYS  19  -3.655  -7.231  -5.711
  295    HB3  CYS  19           HB3      CYS  19  -4.261  -7.670  -4.120
  296    H    GLY  20           H        GLY  20  -1.861  -9.250  -6.639
  297    HA2  GLY  20           HA2      GLY  20  -1.667 -11.450  -7.369
  298    HA3  GLY  20           HA3      GLY  20  -1.470 -11.940  -5.679
  299    H    GLU  21           H        GLU  21  -3.024 -13.152  -4.836
  300    HA   GLU  21           HA       GLU  21  -5.483 -13.801  -6.218
  301    HB2  GLU  21           HB2      GLU  21  -4.111 -15.331  -4.772
  302    HB3  GLU  21           HB3      GLU  21  -4.629 -14.412  -3.356
  303    HG2  GLU  21           HG2      GLU  21  -6.978 -15.034  -3.786
  304    HG3  GLU  21           HG3      GLU  21  -6.500 -15.856  -5.279
  305    H    ARG  22           H        ARG  22  -4.586 -11.427  -3.783
  306    HA   ARG  22           HA       ARG  22  -7.266 -10.832  -2.797
  307    HE   ARG  22           HE       ARG  22  -2.716 -10.130  -1.874
  308    HB2  ARG  22           HB2      ARG  22  -4.696  -9.211  -2.690
  309    HB3  ARG  22           HB3      ARG  22  -6.157  -8.848  -1.791
  310    HG2  ARG  22           HG2      ARG  22  -5.949 -10.807  -0.429
  311    HG3  ARG  22           HG3      ARG  22  -4.675 -11.495  -1.442
  312    HD2  ARG  22           HD2      ARG  22  -4.360  -8.896   0.109
  313    HD3  ARG  22           HD3      ARG  22  -3.856 -10.494   0.691
  314   HH11  ARG  22          HH22      ARG  22  -2.235  -8.813   1.423
  315   HH12  ARG  22          HH21      ARG  22  -0.540  -8.495   1.061
  316   HH21  ARG  22          HH11      ARG  22  -0.483  -9.630  -2.117
  317   HH22  ARG  22          HH12      ARG  22   0.341  -8.888  -0.750
  318    H    GLY  23           H        GLY  23  -8.421  -8.872  -3.185
  319    HA2  GLY  23           HA2      GLY  23  -8.272  -7.716  -5.930
  320    HA3  GLY  23           HA3      GLY  23  -9.497  -7.384  -4.681
  321    H    PHE  24           H        PHE  24  -8.943  -5.143  -5.545
  322    HA   PHE  24           HA       PHE  24  -7.264  -3.809  -3.570
  323    HD1  PHE  24           HD1      PHE  24  -6.887  -1.397  -7.016
  324    HD2  PHE  24           HD2      PHE  24  -6.400  -5.675  -7.287
  325    HE1  PHE  24           HE1      PHE  24  -7.389  -1.301  -9.442
  326    HE2  PHE  24           HE2      PHE  24  -6.941  -5.573  -9.713
  327    HZ   PHE  24           HZ       PHE  24  -7.423  -3.394 -10.791
  328    HB2  PHE  24           HB2      PHE  24  -5.822  -2.689  -5.179
  329    HB3  PHE  24           HB3      PHE  24  -5.623  -4.422  -5.307
  330    H    PHE  25           H        PHE  25  -7.383  -1.489  -3.609
  331    HA   PHE  25           HA       PHE  25  -9.092  -0.097  -5.497
  332    HD1  PHE  25           HD1      PHE  25 -11.747   0.527  -5.739
  333    HD2  PHE  25           HD2      PHE  25 -10.233   2.155  -2.046
  334    HE1  PHE  25           HE1      PHE  25 -13.010   2.633  -6.145
  335    HE2  PHE  25           HE2      PHE  25 -11.499   4.246  -2.449
  336    HZ   PHE  25           HZ       PHE  25 -12.894   4.490  -4.497
  337    HB2  PHE  25           HB2      PHE  25 -10.792  -0.925  -3.893
  338    HB3  PHE  25           HB3      PHE  25  -9.913  -0.184  -2.560
  339    H    TYR  26           H        TYR  26  -7.612   1.387  -6.045
  340    HA   TYR  26           HA       TYR  26  -5.633   2.475  -4.216
  341    HD1  TYR  26           HD1      TYR  26  -6.844   5.174  -7.207
  342    HD2  TYR  26           HD2      TYR  26  -6.404   0.989  -8.160
  343    HE1  TYR  26           HE1      TYR  26  -8.302   5.474  -9.193
  344    HE2  TYR  26           HE2      TYR  26  -7.874   1.283 -10.135
  345    HH   TYR  26           HH       TYR  26  -9.117   2.760 -11.392
  346    HB2  TYR  26           HB2      TYR  26  -4.922   3.686  -6.263
  347    HB3  TYR  26           HB3      TYR  26  -5.033   1.960  -6.476
  348    H    THR  27           H        THR  27  -5.176   4.869  -4.228
  349    HA   THR  27           HA       THR  27  -7.621   6.581  -4.046
  350    HB   THR  27           HB       THR  27  -5.359   6.466  -2.026
  351    HG1  THR  27           HG1      THR  27  -8.110   5.740  -1.838
  352   HG21  THR  27          HG21      THR  27  -6.290   8.739  -2.152
  353   HG22  THR  27          HG22      THR  27  -6.877   7.940  -0.690
  354   HG23  THR  27          HG23      THR  27  -7.945   8.100  -2.103
  355    HA   PRO  28           HA       PRO  28  -4.709   9.472  -6.084
  356    HB2  PRO  28           HB2      PRO  28  -6.449  10.886  -7.549
  357    HB3  PRO  28           HB3      PRO  28  -6.168   9.165  -7.920
  358    HG2  PRO  28           HG2      PRO  28  -8.449  10.331  -6.280
  359    HG3  PRO  28           HG3      PRO  28  -8.541   9.168  -7.636
  360    HD2  PRO  28           HD2      PRO  28  -8.469   8.445  -4.954
  361    HD3  PRO  28           HD3      PRO  28  -7.892   7.396  -6.285
  362    H    LYS  29           H        LYS  29  -6.741  12.029  -6.134
  363    HA   LYS  29           HA       LYS  29  -5.606  13.300  -3.801
  364    HB2  LYS  29           HB2      LYS  29  -6.142  14.384  -5.989
  365    HB3  LYS  29           HB3      LYS  29  -7.853  14.091  -5.715
  366    HG2  LYS  29           HG2      LYS  29  -7.256  16.419  -5.272
  367    HG3  LYS  29           HG3      LYS  29  -7.925  15.638  -3.852
  368    HD2  LYS  29           HD2      LYS  29  -6.041  17.124  -3.297
  369    HD3  LYS  29           HD3      LYS  29  -5.696  15.460  -2.838
  370    HE2  LYS  29           HE2      LYS  29  -4.371  15.161  -4.940
  371    HE3  LYS  29           HE3      LYS  29  -4.709  16.839  -5.382
  372    HZ1  LYS  29           HZ1      LYS  29  -3.438  17.559  -3.470
  373    HZ2  LYS  29           HZ2      LYS  29  -2.532  16.450  -4.289
  374    HZ3  LYS  29           HZ3      LYS  29  -3.273  16.016  -2.920
  375    H    THR  30           H        THR  30  -8.648  11.642  -4.384
  376    HA   THR  30           HA       THR  30  -9.555  11.960  -1.571
  377    HB   THR  30           HB       THR  30 -11.305  12.705  -3.949
  378    HG1  THR  30           HG1      THR  30 -10.086  14.327  -1.954
  379   HG21  THR  30          HG21      THR  30 -12.627  11.812  -2.074
  380   HG22  THR  30          HG22      THR  30 -12.854  13.556  -2.191
  381   HG23  THR  30          HG23      THR  30 -11.787  12.885  -0.939
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -2.311  10.563  -1.952
    2    H2   GLY   1           H2       GLY   1  -3.898  11.001  -1.905
    3    H3   GLY   1           H3       GLY   1  -3.098  10.961  -3.338
    4    HA2  GLY   1           HA2      GLY   1  -3.757   8.637  -1.654
    5    HA3  GLY   1           HA3      GLY   1  -4.523   9.064  -3.197
    6    H    ILE   2           H        ILE   2  -3.677   6.639  -3.313
    7    HA   ILE   2           HA       ILE   2  -0.883   6.141  -3.669
    8    HB   ILE   2           HB       ILE   2  -2.365   4.366  -3.139
    9   HG12  ILE   2          HG12      ILE   2  -1.175   3.782  -5.860
   10   HG13  ILE   2          HG13      ILE   2  -0.263   3.863  -4.350
   11   HG21  ILE   2          HG21      ILE   2  -4.375   5.113  -4.416
   12   HG22  ILE   2          HG22      ILE   2  -3.601   4.587  -5.927
   13   HG23  ILE   2          HG23      ILE   2  -4.030   3.416  -4.664
   14   HD11  ILE   2          HD11      ILE   2  -1.569   1.990  -3.424
   15   HD12  ILE   2          HD12      ILE   2  -2.495   1.868  -4.937
   16   HD13  ILE   2          HD13      ILE   2  -0.769   1.549  -4.936
   17    H    VAL   3           H        VAL   3  -3.245   7.233  -6.134
   18    HA   VAL   3           HA       VAL   3  -1.412   6.728  -8.316
   19    HB   VAL   3           HB       VAL   3  -3.571   8.840  -8.309
   20   HG11  VAL   3          HG11      VAL   3  -2.015   9.125 -10.177
   21   HG12  VAL   3          HG12      VAL   3  -2.153   7.402 -10.583
   22   HG13  VAL   3          HG13      VAL   3  -3.549   8.482 -10.773
   23   HG21  VAL   3          HG21      VAL   3  -3.714   5.926  -9.183
   24   HG22  VAL   3          HG22      VAL   3  -4.550   6.592  -7.780
   25   HG23  VAL   3          HG23      VAL   3  -5.002   7.131  -9.397
   26    H    GLU   4           H        GLU   4  -1.973   9.685  -6.318
   27    HA   GLU   4           HA       GLU   4   0.040  11.302  -7.584
   28    HB2  GLU   4           HB2      GLU   4  -1.703  12.227  -6.149
   29    HB3  GLU   4           HB3      GLU   4  -1.086  11.329  -4.758
   30    HG2  GLU   4           HG2      GLU   4   1.015  12.613  -4.815
   31    HG3  GLU   4           HG3      GLU   4   0.480  13.443  -6.282
   32    H    GLN   5           H        GLN   5   0.181   9.125  -4.717
   33    HA   GLN   5           HA       GLN   5   2.900   9.654  -4.097
   34    HB2  GLN   5           HB2      GLN   5   1.222   8.637  -2.553
   35    HB3  GLN   5           HB3      GLN   5   1.240   7.164  -3.531
   36    HG2  GLN   5           HG2      GLN   5   2.604   6.874  -1.533
   37    HG3  GLN   5           HG3      GLN   5   3.616   6.775  -2.966
   38   HE21  GLN   5          HE21      GLN   5   5.539   8.034  -2.887
   39   HE22  GLN   5          HE22      GLN   5   5.728   9.382  -1.781
   40    H    CYS   6           H        CYS   6   1.500   7.156  -6.272
   41    HA   CYS   6           HA       CYS   6   4.151   6.030  -6.802
   42    HB2  CYS   6           HB2      CYS   6   1.370   5.566  -7.931
   43    HB3  CYS   6           HB3      CYS   6   2.794   4.699  -8.465
   44    H    CYS   7           H        CYS   7   2.177   8.446  -8.391
   45    HA   CYS   7           HA       CYS   7   3.622   7.988 -10.955
   46    HB2  CYS   7           HB2      CYS   7   1.150   8.075 -10.884
   47    HB3  CYS   7           HB3      CYS   7   1.237   9.769 -10.391
   48    H    THR   8           H        THR   8   2.803  10.925  -8.996
   49    HA   THR   8           HA       THR   8   4.908  12.453 -10.421
   50    HB   THR   8           HB       THR   8   4.028  14.381  -9.102
   51    HG1  THR   8           HG1      THR   8   2.076  14.074  -8.027
   52   HG21  THR   8          HG21      THR   8   3.213  13.863 -11.406
   53   HG22  THR   8          HG22      THR   8   1.960  14.612 -10.403
   54   HG23  THR   8          HG23      THR   8   1.917  12.865 -10.717
   55    H    SER   9           H        SER   9   4.240  11.148  -7.201
   56    HA   SER   9           HA       SER   9   7.129  11.612  -6.515
   57    HG   SER   9           HG       SER   9   6.607  11.395  -3.186
   58    HB2  SER   9           HB2      SER   9   5.340  12.156  -4.822
   59    HB3  SER   9           HB3      SER   9   4.995  10.422  -4.727
   60    H    ILE  10           H        ILE  10   7.407   9.252  -4.983
   61    HA   ILE  10           HA       ILE  10   7.298   7.049  -7.007
   62    HB   ILE  10           HB       ILE  10   9.604   8.069  -6.697
   63   HG12  ILE  10          HG12      ILE  10   9.268   5.108  -6.084
   64   HG13  ILE  10          HG13      ILE  10   9.205   5.880  -7.678
   65   HG21  ILE  10          HG21      ILE  10   9.448   8.402  -4.206
   66   HG22  ILE  10          HG22      ILE  10   9.625   6.641  -4.010
   67   HG23  ILE  10          HG23      ILE  10  10.922   7.600  -4.748
   68   HD11  ILE  10          HD11      ILE  10  11.572   6.615  -7.387
   69   HD12  ILE  10          HD12      ILE  10  11.648   5.681  -5.877
   70   HD13  ILE  10          HD13      ILE  10  11.357   4.852  -7.417
   71    H    CYS  11           H        CYS  11   6.834   4.946  -6.204
   72    HA   CYS  11           HA       CYS  11   6.205   4.752  -3.300
   73    HB2  CYS  11           HB2      CYS  11   4.067   3.801  -3.657
   74    HB3  CYS  11           HB3      CYS  11   4.133   5.263  -4.609
   75    H    SER  12           H        SER  12   5.999   2.636  -2.475
   76    HA   SER  12           HA       SER  12   7.919   0.708  -3.713
   77    HG   SER  12           HG       SER  12   8.947   1.565  -0.395
   78    HB2  SER  12           HB2      SER  12   6.810   0.872  -0.891
   79    HB3  SER  12           HB3      SER  12   8.019  -0.283  -1.466
   80    H    LEU  13           H        LEU  13   7.458  -1.589  -3.816
   81    HA   LEU  13           HA       LEU  13   4.784  -2.348  -4.523
   82    HG   LEU  13           HG       LEU  13   7.955  -2.954  -5.476
   83    HB2  LEU  13           HB2      LEU  13   7.084  -4.088  -3.531
   84    HB3  LEU  13           HB3      LEU  13   5.663  -4.631  -4.396
   85   HD11  LEU  13          HD11      LEU  13   8.317  -5.395  -5.276
   86   HD12  LEU  13          HD12      LEU  13   8.299  -4.871  -6.965
   87   HD13  LEU  13          HD13      LEU  13   6.880  -5.693  -6.280
   88   HD21  LEU  13          HD21      LEU  13   5.929  -2.049  -6.515
   89   HD22  LEU  13          HD22      LEU  13   5.405  -3.686  -6.972
   90   HD23  LEU  13          HD23      LEU  13   6.867  -2.978  -7.687
   91    H    TYR  14           H        TYR  14   6.489  -2.456  -1.419
   92    HA   TYR  14           HA       TYR  14   4.483  -3.793   0.083
   93    HD1  TYR  14           HD1      TYR  14   5.231  -4.867   2.368
   94    HD2  TYR  14           HD2      TYR  14   5.680  -0.600   2.870
   95    HE1  TYR  14           HE1      TYR  14   4.385  -5.056   4.694
   96    HE2  TYR  14           HE2      TYR  14   4.840  -0.788   5.204
   97    HH   TYR  14           HH       TYR  14   3.876  -3.938   6.646
   98    HB2  TYR  14           HB2      TYR  14   6.762  -3.378   0.872
   99    HB3  TYR  14           HB3      TYR  14   6.476  -1.641   0.885
  100    H    GLN  15           H        GLN  15   4.581  -0.478  -1.086
  101    HA   GLN  15           HA       GLN  15   2.312   0.426   0.601
  102    HB2  GLN  15           HB2      GLN  15   3.803   1.798  -1.670
  103    HB3  GLN  15           HB3      GLN  15   2.476   2.502  -0.754
  104    HG2  GLN  15           HG2      GLN  15   3.753   2.430   1.316
  105    HG3  GLN  15           HG3      GLN  15   5.088   1.587   0.533
  106   HE21  GLN  15          HE21      GLN  15   4.633   4.503   1.793
  107   HE22  GLN  15          HE22      GLN  15   5.417   5.489   0.568
  108    H    LEU  16           H        LEU  16   2.917  -0.621  -2.797
  109    HA   LEU  16           HA       LEU  16   0.193  -0.403  -3.674
  110    HG   LEU  16           HG       LEU  16   3.244  -0.528  -5.050
  111    HB2  LEU  16           HB2      LEU  16   2.187  -2.610  -4.374
  112    HB3  LEU  16           HB3      LEU  16   0.727  -2.216  -5.240
  113   HD11  LEU  16          HD11      LEU  16   1.872  -1.887  -7.410
  114   HD12  LEU  16          HD12      LEU  16   3.321  -2.477  -6.573
  115   HD13  LEU  16          HD13      LEU  16   3.381  -0.954  -7.463
  116   HD21  LEU  16          HD21      LEU  16   2.114   0.967  -6.723
  117   HD22  LEU  16          HD22      LEU  16   1.424   1.055  -5.103
  118   HD23  LEU  16          HD23      LEU  16   0.582   0.129  -6.381
  119    H    GLU  17           H        GLU  17   1.834  -3.107  -1.969
  120    HA   GLU  17           HA       GLU  17  -0.516  -4.692  -1.699
  121    HB2  GLU  17           HB2      GLU  17   1.878  -5.451  -1.478
  122    HB3  GLU  17           HB3      GLU  17   1.913  -4.721   0.135
  123    HG2  GLU  17           HG2      GLU  17   0.105  -6.220   0.871
  124    HG3  GLU  17           HG3      GLU  17  -0.113  -6.805  -0.783
  125    H    ASN  18           H        ASN  18   0.705  -2.071   0.406
  126    HA   ASN  18           HA       ASN  18  -1.013  -2.533   2.617
  127    HB2  ASN  18           HB2      ASN  18   0.957  -1.048   2.624
  128    HB3  ASN  18           HB3      ASN  18   0.111   0.082   1.564
  129   HD21  ASN  18          HD21      ASN  18  -1.118   1.686   2.547
  130   HD22  ASN  18          HD22      ASN  18  -1.546   1.666   4.247
  131    H    TYR  19           H        TYR  19  -1.731  -1.087  -0.522
  132    HA   TYR  19           HA       TYR  19  -4.399  -0.114   0.283
  133    HD1  TYR  19           HD1      TYR  19  -1.642   1.656  -0.429
  134    HD2  TYR  19           HD2      TYR  19  -5.544   2.092  -2.209
  135    HE1  TYR  19           HE1      TYR  19  -1.629   4.081   0.129
  136    HE2  TYR  19           HE2      TYR  19  -5.538   4.508  -1.662
  137    HH   TYR  19           HH       TYR  19  -2.783   6.077   0.026
  138    HB2  TYR  19           HB2      TYR  19  -2.708  -0.050  -2.202
  139    HB3  TYR  19           HB3      TYR  19  -4.444   0.043  -2.386
  140    H    CYS  20           H        CYS  20  -3.237  -3.218  -0.257
  141    HA   CYS  20           HA       CYS  20  -5.811  -4.209  -1.424
  142    HB2  CYS  20           HB2      CYS  20  -3.099  -5.524  -1.076
  143    HB3  CYS  20           HB3      CYS  20  -4.520  -6.306  -1.766
  144    H    ASN  21           H        ASN  21  -6.469  -6.372  -0.653
  145    HA   ASN  21           HA       ASN  21  -7.188  -6.498   2.096
  146    HB2  ASN  21           HB2      ASN  21  -8.409  -7.674   0.291
  147    HB3  ASN  21           HB3      ASN  21  -6.993  -8.668  -0.043
  148   HD21  ASN  21          HD21      ASN  21  -9.226  -7.864   2.674
  149   HD22  ASN  21          HD22      ASN  21  -9.210  -9.501   3.320
  150    HA   PHE   1           HA       PHE   1  12.871  -0.570  -3.345
  151    HD1  PHE   1           HD1      PHE   1  14.427  -0.315  -5.611
  152    HD2  PHE   1           HD2      PHE   1  16.798  -0.196  -2.000
  153    HE1  PHE   1           HE1      PHE   1  15.653   1.655  -6.480
  154    HE2  PHE   1           HE2      PHE   1  18.025   1.776  -2.880
  155    HZ   PHE   1           HZ       PHE   1  17.455   2.705  -5.114
  156    H1   PHE   1           H1       PHE   1  13.981  -0.972  -0.657
  157    H2   PHE   1           H2       PHE   1  12.600  -0.161  -1.012
  158    H3   PHE   1           H3       PHE   1  14.042   0.416  -1.534
  159    HB2  PHE   1           HB2      PHE   1  15.335  -2.100  -2.451
  160    HB3  PHE   1           HB3      PHE   1  14.600  -2.288  -4.027
  161    H    VAL   2           H        VAL   2  11.140  -3.678  -3.189
  162    HA   VAL   2           HA       VAL   2  12.564  -1.937  -5.094
  163    HB   VAL   2           HB       VAL   2  10.239  -3.859  -5.419
  164   HG11  VAL   2          HG11      VAL   2  11.699  -2.245  -7.559
  165   HG12  VAL   2          HG12      VAL   2  10.613  -3.608  -7.890
  166   HG13  VAL   2          HG13      VAL   2   9.967  -2.146  -7.149
  167   HG21  VAL   2          HG21      VAL   2  12.406  -4.955  -4.987
  168   HG22  VAL   2          HG22      VAL   2  11.903  -5.223  -6.653
  169   HG23  VAL   2          HG23      VAL   2  13.159  -4.015  -6.303
  170    H    ASN   3           H        ASN   3  11.863  -0.085  -5.937
  171    HA   ASN   3           HA       ASN   3   9.168   0.953  -5.426
  172    HB2  ASN   3           HB2      ASN   3  10.203   3.164  -4.625
  173    HB3  ASN   3           HB3      ASN   3  10.175   1.830  -3.483
  174   HD21  ASN   3          HD21      ASN   3  12.469   3.293  -5.928
  175   HD22  ASN   3          HD22      ASN   3  13.867   2.981  -4.922
  176    H    GLN   4           H        GLN   4   8.435   2.409  -6.880
  177    HA   GLN   4           HA       GLN   4  10.058   2.862  -9.342
  178    HB2  GLN   4           HB2      GLN   4   7.543   1.126  -9.112
  179    HB3  GLN   4           HB3      GLN   4   8.273   1.617 -10.631
  180    HG2  GLN   4           HG2      GLN   4   9.601  -0.197  -8.552
  181    HG3  GLN   4           HG3      GLN   4   8.803  -0.722 -10.019
  182   HE21  GLN   4          HE21      GLN   4  11.338  -1.606  -9.801
  183   HE22  GLN   4          HE22      GLN   4  12.403  -0.686 -10.849
  184    H    HIS   5           H        HIS   5   8.993   4.204 -10.904
  185    HA   HIS   5           HA       HIS   5   6.763   5.871  -9.865
  186    HD1  HIS   5           HD1      HIS   5   7.456   8.603  -9.465
  187    HD2  HIS   5           HD2      HIS   5  10.807   6.900 -11.368
  188    HE1  HIS   5           HE1      HIS   5   9.489   9.814  -8.546
  189    HB2  HIS   5           HB2      HIS   5   8.501   6.164 -12.339
  190    HB3  HIS   5           HB3      HIS   5   7.133   7.197 -11.937
  191    H    LEU   6           H        LEU   6   4.758   5.361 -10.388
  192    HA   LEU   6           HA       LEU   6   4.102   3.641 -12.735
  193    HG   LEU   6           HG       LEU   6   5.621   2.208 -10.436
  194    HB2  LEU   6           HB2      LEU   6   3.347   3.163  -9.820
  195    HB3  LEU   6           HB3      LEU   6   2.664   2.289 -11.183
  196   HD11  LEU   6          HD11      LEU   6   5.102  -0.003  -9.448
  197   HD12  LEU   6          HD12      LEU   6   3.370   0.297  -9.719
  198   HD13  LEU   6          HD13      LEU   6   4.288   1.323  -8.598
  199   HD21  LEU   6          HD21      LEU   6   3.919   0.421 -12.252
  200   HD22  LEU   6          HD22      LEU   6   5.636   0.184 -11.866
  201   HD23  LEU   6          HD23      LEU   6   5.133   1.593 -12.804
  202    H    CYS   7           H        CYS   7   2.279   4.313 -13.735
  203    HA   CYS   7           HA       CYS   7   0.444   6.261 -12.396
  204    HB2  CYS   7           HB2      CYS   7   1.623   6.428 -15.188
  205    HB3  CYS   7           HB3      CYS   7   0.456   7.550 -14.509
  206    H    GLY   8           H        GLY   8  -1.675   6.066 -12.956
  207    HA2  GLY   8           HA2      GLY   8  -3.656   5.310 -13.911
  208    HA3  GLY   8           HA3      GLY   8  -2.718   5.364 -15.402
  209    H    SER   9           H        SER   9  -2.997   3.590 -16.561
  210    HA   SER   9           HA       SER   9  -4.049   1.100 -15.579
  211    HG   SER   9           HG       SER   9  -2.763   1.980 -19.361
  212    HB2  SER   9           HB2      SER   9  -3.480   0.332 -17.906
  213    HB3  SER   9           HB3      SER   9  -4.493   1.778 -17.823
  214    H    HIS  10           H        HIS  10  -0.708   2.205 -16.222
  215    HA   HIS  10           HA       HIS  10   0.529  -0.382 -15.867
  216    HD1  HIS  10           HD1      HIS  10   1.831   3.884 -17.464
  217    HD2  HIS  10           HD2      HIS  10   1.340  -0.195 -18.343
  218    HE1  HIS  10           HE1      HIS  10   1.646   3.717 -20.004
  219    HB2  HIS  10           HB2      HIS  10   1.746   2.365 -15.376
  220    HB3  HIS  10           HB3      HIS  10   2.596   0.869 -15.737
  221    H    LEU  11           H        LEU  11  -0.263   2.273 -13.613
  222    HA   LEU  11           HA       LEU  11   0.820   1.007 -11.242
  223    HG   LEU  11           HG       LEU  11  -1.732   2.126  -9.457
  224    HB2  LEU  11           HB2      LEU  11   0.370   3.378 -11.277
  225    HB3  LEU  11           HB3      LEU  11  -1.319   3.129 -11.674
  226   HD11  LEU  11          HD11      LEU  11  -0.001   2.311  -7.693
  227   HD12  LEU  11          HD12      LEU  11   1.196   2.776  -8.920
  228   HD13  LEU  11          HD13      LEU  11   0.472   1.156  -8.941
  229   HD21  LEU  11          HD21      LEU  11  -0.318   4.824  -9.372
  230   HD22  LEU  11          HD22      LEU  11  -1.497   4.213  -8.184
  231   HD23  LEU  11          HD23      LEU  11  -2.008   4.547  -9.845
  232    H    VAL  12           H        VAL  12  -2.500   1.074 -12.624
  233    HA   VAL  12           HA       VAL  12  -3.647  -0.661 -10.698
  234    HB   VAL  12           HB       VAL  12  -4.384  -0.134 -13.589
  235   HG11  VAL  12          HG11      VAL  12  -5.316  -2.345 -13.168
  236   HG12  VAL  12          HG12      VAL  12  -5.945  -1.825 -11.591
  237   HG13  VAL  12          HG13      VAL  12  -6.625  -1.159 -13.093
  238   HG21  VAL  12          HG21      VAL  12  -4.673   1.723 -11.949
  239   HG22  VAL  12          HG22      VAL  12  -6.227   1.162 -12.584
  240   HG23  VAL  12          HG23      VAL  12  -5.699   0.670 -10.961
  241    H    GLU  13           H        GLU  13  -1.955  -1.524 -13.731
  242    HA   GLU  13           HA       GLU  13  -2.306  -4.341 -13.519
  243    HB2  GLU  13           HB2      GLU  13  -1.566  -3.100 -15.539
  244    HB3  GLU  13           HB3      GLU  13  -0.004  -2.783 -14.779
  245    HG2  GLU  13           HG2      GLU  13   0.482  -5.186 -14.692
  246    HG3  GLU  13           HG3      GLU  13  -1.133  -5.569 -15.289
  247    H    ALA  14           H        ALA  14   0.430  -2.258 -12.384
  248    HA   ALA  14           HA       ALA  14   1.985  -4.384 -11.265
  249    HB1  ALA  14           HB1      ALA  14   2.864  -2.117 -11.773
  250    HB2  ALA  14           HB2      ALA  14   1.831  -1.424 -10.506
  251    HB3  ALA  14           HB3      ALA  14   3.144  -2.533 -10.072
  252    H    LEU  15           H        LEU  15  -0.398  -2.230  -9.737
  253    HA   LEU  15           HA       LEU  15  -0.375  -3.220  -7.083
  254    HG   LEU  15           HG       LEU  15  -3.652  -2.757  -6.813
  255    HB2  LEU  15           HB2      LEU  15  -1.349  -1.106  -7.920
  256    HB3  LEU  15           HB3      LEU  15  -2.543  -1.999  -8.852
  257   HD11  LEU  15          HD11      LEU  15  -3.013  -1.790  -4.616
  258   HD12  LEU  15          HD12      LEU  15  -1.546  -1.111  -5.343
  259   HD13  LEU  15          HD13      LEU  15  -1.765  -2.875  -5.240
  260   HD21  LEU  15          HD21      LEU  15  -3.080   0.252  -6.918
  261   HD22  LEU  15          HD22      LEU  15  -4.471  -0.498  -6.108
  262   HD23  LEU  15          HD23      LEU  15  -4.303  -0.619  -7.866
  263    H    TYR  16           H        TYR  16  -2.503  -4.225  -9.825
  264    HA   TYR  16           HA       TYR  16  -3.781  -6.359  -8.433
  265    HD1  TYR  16           HD1      TYR  16  -6.138  -7.278  -9.443
  266    HD2  TYR  16           HD2      TYR  16  -3.116  -8.033 -12.423
  267    HE1  TYR  16           HE1      TYR  16  -7.198  -9.471  -9.953
  268    HE2  TYR  16           HE2      TYR  16  -4.158 -10.228 -12.931
  269    HH   TYR  16           HH       TYR  16  -5.874 -11.689 -12.461
  270    HB2  TYR  16           HB2      TYR  16  -4.672  -5.422 -10.490
  271    HB3  TYR  16           HB3      TYR  16  -3.240  -5.904 -11.390
  272    H    LEU  17           H        LEU  17  -0.756  -6.353 -10.355
  273    HA   LEU  17           HA       LEU  17  -0.368  -9.220 -10.147
  274    HG   LEU  17           HG       LEU  17  -0.337  -7.592 -12.613
  275    HB2  LEU  17           HB2      LEU  17   1.463  -6.931 -10.941
  276    HB3  LEU  17           HB3      LEU  17   1.997  -8.607 -10.931
  277   HD11  LEU  17          HD11      LEU  17   1.225  -7.733 -14.505
  278   HD12  LEU  17          HD12      LEU  17   2.538  -8.231 -13.421
  279   HD13  LEU  17          HD13      LEU  17   1.840  -6.600 -13.290
  280   HD21  LEU  17          HD21      LEU  17   1.147 -10.258 -12.623
  281   HD22  LEU  17          HD22      LEU  17  -0.037  -9.736 -13.841
  282   HD23  LEU  17          HD23      LEU  17  -0.555  -9.990 -12.175
  283    H    VAL  18           H        VAL  18   0.862  -6.523  -8.203
  284    HA   VAL  18           HA       VAL  18   2.496  -8.136  -6.448
  285    HB   VAL  18           HB       VAL  18   1.114  -5.462  -6.070
  286   HG11  VAL  18          HG11      VAL  18   2.863  -6.853  -3.994
  287   HG12  VAL  18          HG12      VAL  18   2.379  -5.144  -3.968
  288   HG13  VAL  18          HG13      VAL  18   1.155  -6.398  -3.801
  289   HG21  VAL  18          HG21      VAL  18   3.461  -4.654  -6.034
  290   HG22  VAL  18          HG22      VAL  18   4.046  -6.318  -6.207
  291   HG23  VAL  18          HG23      VAL  18   3.144  -5.559  -7.522
  292    H    CYS  19           H        CYS  19  -0.950  -7.155  -6.243
  293    HA   CYS  19           HA       CYS  19  -1.281  -8.639  -3.762
  294    HB2  CYS  19           HB2      CYS  19  -3.294  -7.144  -5.470
  295    HB3  CYS  19           HB3      CYS  19  -3.588  -7.757  -3.839
  296    H    GLY  20           H        GLY  20  -1.742  -9.539  -7.085
  297    HA2  GLY  20           HA2      GLY  20  -2.008 -11.695  -7.939
  298    HA3  GLY  20           HA3      GLY  20  -2.178 -12.318  -6.278
  299    H    GLU  21           H        GLU  21  -4.053 -13.355  -6.101
  300    HA   GLU  21           HA       GLU  21  -6.420 -12.750  -7.677
  301    HB2  GLU  21           HB2      GLU  21  -5.986 -14.568  -5.270
  302    HB3  GLU  21           HB3      GLU  21  -7.481 -14.481  -6.209
  303    HG2  GLU  21           HG2      GLU  21  -6.230 -15.140  -8.260
  304    HG3  GLU  21           HG3      GLU  21  -4.760 -15.324  -7.298
  305    H    ARG  22           H        ARG  22  -5.156 -11.327  -4.816
  306    HA   ARG  22           HA       ARG  22  -7.630 -10.656  -3.473
  307    HE   ARG  22           HE       ARG  22  -2.909 -10.880  -2.335
  308    HB2  ARG  22           HB2      ARG  22  -4.843  -9.465  -3.287
  309    HB3  ARG  22           HB3      ARG  22  -6.175  -9.038  -2.231
  310    HG2  ARG  22           HG2      ARG  22  -6.351 -11.323  -1.397
  311    HG3  ARG  22           HG3      ARG  22  -5.048 -11.872  -2.473
  312    HD2  ARG  22           HD2      ARG  22  -4.732  -9.681  -0.394
  313    HD3  ARG  22           HD3      ARG  22  -4.376 -11.382  -0.068
  314   HH11  ARG  22          HH21      ARG  22  -3.040  -8.949   0.660
  315   HH12  ARG  22          HH22      ARG  22  -1.302  -8.743   0.657
  316   HH21  ARG  22          HH11      ARG  22  -0.682 -10.557  -2.207
  317   HH22  ARG  22          HH12      ARG  22  -0.024  -9.548  -0.938
  318    H    GLY  23           H        GLY  23  -8.378  -8.526  -3.111
  319    HA2  GLY  23           HA2      GLY  23  -8.605  -6.838  -5.555
  320    HA3  GLY  23           HA3      GLY  23  -9.654  -6.792  -4.125
  321    H    PHE  24           H        PHE  24  -8.448  -4.574  -5.407
  322    HA   PHE  24           HA       PHE  24  -6.713  -3.487  -3.238
  323    HD1  PHE  24           HD1      PHE  24  -6.976  -0.837  -6.519
  324    HD2  PHE  24           HD2      PHE  24  -6.251  -5.036  -7.183
  325    HE1  PHE  24           HE1      PHE  24  -7.773  -0.601  -8.856
  326    HE2  PHE  24           HE2      PHE  24  -7.052  -4.799  -9.520
  327    HZ   PHE  24           HZ       PHE  24  -7.839  -2.592 -10.355
  328    HB2  PHE  24           HB2      PHE  24  -5.543  -2.213  -4.958
  329    HB3  PHE  24           HB3      PHE  24  -5.390  -3.935  -5.224
  330    H    PHE  25           H        PHE  25  -6.913  -1.349  -2.710
  331    HA   PHE  25           HA       PHE  25  -9.295   0.189  -3.595
  332    HD1  PHE  25           HD2      PHE  25 -10.814   1.500  -2.435
  333    HD2  PHE  25           HD1      PHE  25  -7.282   2.669  -0.242
  334    HE1  PHE  25           HE2      PHE  25 -11.860   3.679  -1.888
  335    HE2  PHE  25           HE1      PHE  25  -8.354   4.818   0.331
  336    HZ   PHE  25           HZ       PHE  25 -10.642   5.340  -0.504
  337    HB2  PHE  25           HB2      PHE  25  -8.873  -0.171  -1.161
  338    HB3  PHE  25           HB3      PHE  25  -7.300   0.589  -1.326
  339    H    TYR  26           H        TYR  26  -8.861   2.548  -4.022
  340    HA   TYR  26           HA       TYR  26  -6.274   3.188  -5.293
  341    HD1  TYR  26           HD1      TYR  26  -5.249   1.952  -7.658
  342    HD2  TYR  26           HD2      TYR  26  -8.478   4.677  -8.525
  343    HE1  TYR  26           HE1      TYR  26  -4.028   2.754  -9.664
  344    HE2  TYR  26           HE2      TYR  26  -7.255   5.479 -10.544
  345    HH   TYR  26           HH       TYR  26  -4.083   4.118 -11.516
  346    HB2  TYR  26           HB2      TYR  26  -7.561   1.599  -6.807
  347    HB3  TYR  26           HB3      TYR  26  -8.790   2.831  -6.958
  348    H    THR  27           H        THR  27  -5.916   5.337  -5.138
  349    HA   THR  27           HA       THR  27  -8.154   7.277  -5.030
  350    HB   THR  27           HB       THR  27  -7.014   8.381  -3.101
  351    HG1  THR  27           HG1      THR  27  -5.698   6.884  -1.857
  352   HG21  THR  27          HG21      THR  27  -7.932   5.540  -2.507
  353   HG22  THR  27          HG22      THR  27  -9.025   6.910  -2.816
  354   HG23  THR  27          HG23      THR  27  -7.950   6.939  -1.410
  355    HA   PRO  28           HA       PRO  28  -5.043   9.727  -7.234
  356    HB2  PRO  28           HB2      PRO  28  -6.586  11.809  -8.026
  357    HB3  PRO  28           HB3      PRO  28  -6.698  10.184  -8.753
  358    HG2  PRO  28           HG2      PRO  28  -8.523  11.414  -6.673
  359    HG3  PRO  28           HG3      PRO  28  -8.950  10.438  -8.106
  360    HD2  PRO  28           HD2      PRO  28  -8.702   9.434  -5.517
  361    HD3  PRO  28           HD3      PRO  28  -8.523   8.457  -7.010
  362    H    LYS  29           H        LYS  29  -7.147  12.183  -5.786
  363    HA   LYS  29           HA       LYS  29  -5.352  12.820  -3.568
  364    HB2  LYS  29           HB2      LYS  29  -4.260  13.783  -5.615
  365    HB3  LYS  29           HB3      LYS  29  -5.717  14.731  -5.919
  366    HG2  LYS  29           HG2      LYS  29  -5.379  15.895  -3.723
  367    HG3  LYS  29           HG3      LYS  29  -3.911  14.924  -3.469
  368    HD2  LYS  29           HD2      LYS  29  -2.983  15.905  -5.608
  369    HD3  LYS  29           HD3      LYS  29  -4.431  16.905  -5.728
  370    HE2  LYS  29           HE2      LYS  29  -2.680  18.254  -4.791
  371    HE3  LYS  29           HE3      LYS  29  -3.885  17.957  -3.524
  372    HZ1  LYS  29           HZ1      LYS  29  -1.563  17.649  -2.766
  373    HZ2  LYS  29           HZ2      LYS  29  -1.349  16.433  -3.851
  374    HZ3  LYS  29           HZ3      LYS  29  -2.403  16.251  -2.624
  375    H    THR  30           H        THR  30  -8.224  14.591  -2.253
  376    HA   THR  30           HA       THR  30  -5.364  14.194  -1.793
  377    HB   THR  30           HB       THR  30  -6.060  14.560   0.615
  378    HG1  THR  30           HG1      THR  30  -8.250  13.919   0.238
  379   HG21  THR  30          HG21      THR  30  -6.845  16.691  -1.424
  380   HG22  THR  30          HG22      THR  30  -5.210  16.383  -0.801
  381   HG23  THR  30          HG23      THR  30  -6.471  16.968   0.292
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -3.781  10.265  -2.134
    2    H2   GLY   1           H2       GLY   1  -5.069   9.715  -1.264
    3    H3   GLY   1           H3       GLY   1  -4.537   8.894  -2.585
    4    HA2  GLY   1           HA2      GLY   1  -3.035   9.258  -0.064
    5    HA3  GLY   1           HA3      GLY   1  -3.826   7.755  -0.562
    6    H    ILE   2           H        ILE   2  -2.648   6.314  -1.744
    7    HA   ILE   2           HA       ILE   2   0.143   6.876  -2.166
    8    HB   ILE   2           HB       ILE   2  -0.754   4.738  -1.409
    9   HG12  ILE   2          HG12      ILE   2   0.747   4.219  -3.969
   10   HG13  ILE   2          HG13      ILE   2   1.511   5.074  -2.629
   11   HG21  ILE   2          HG21      ILE   2  -1.737   3.103  -2.977
   12   HG22  ILE   2          HG22      ILE   2  -2.756   4.532  -2.883
   13   HG23  ILE   2          HG23      ILE   2  -1.689   4.301  -4.286
   14   HD11  ILE   2          HD11      ILE   2   1.194   3.179  -1.141
   15   HD12  ILE   2          HD12      ILE   2   0.325   2.284  -2.405
   16   HD13  ILE   2          HD13      ILE   2   2.042   2.669  -2.610
   17    H    VAL   3           H        VAL   3  -2.496   7.221  -4.433
   18    HA   VAL   3           HA       VAL   3  -1.027   6.617  -6.811
   19    HB   VAL   3           HB       VAL   3  -3.455   8.407  -6.450
   20   HG11  VAL   3          HG11      VAL   3  -2.304   7.204  -9.008
   21   HG12  VAL   3          HG12      VAL   3  -3.892   7.986  -8.872
   22   HG13  VAL   3          HG13      VAL   3  -2.430   8.934  -8.615
   23   HG21  VAL   3          HG21      VAL   3  -3.855   6.068  -5.731
   24   HG22  VAL   3          HG22      VAL   3  -4.706   6.401  -7.241
   25   HG23  VAL   3          HG23      VAL   3  -3.191   5.477  -7.270
   26    H    GLU   4           H        GLU   4  -1.602   9.701  -5.106
   27    HA   GLU   4           HA       GLU   4  -0.168  11.418  -6.834
   28    HB2  GLU   4           HB2      GLU   4  -0.392  11.698  -3.803
   29    HB3  GLU   4           HB3      GLU   4  -0.080  12.957  -4.993
   30    HG2  GLU   4           HG2      GLU   4  -2.280  13.359  -4.651
   31    HG3  GLU   4           HG3      GLU   4  -2.459  12.184  -5.955
   32    H    GLN   5           H        GLN   5   0.987   9.491  -4.026
   33    HA   GLN   5           HA       GLN   5   3.699  10.450  -4.021
   34    HB2  GLN   5           HB2      GLN   5   2.543   9.189  -2.146
   35    HB3  GLN   5           HB3      GLN   5   2.608   7.734  -3.144
   36    HG2  GLN   5           HG2      GLN   5   5.207   8.279  -3.249
   37    HG3  GLN   5           HG3      GLN   5   4.871   9.228  -1.810
   38   HE21  GLN   5          HE21      GLN   5   6.390   6.613  -2.388
   39   HE22  GLN   5          HE22      GLN   5   5.704   5.438  -1.267
   40    H    CYS   6           H        CYS   6   2.307   7.387  -5.403
   41    HA   CYS   6           HA       CYS   6   4.676   6.499  -6.657
   42    HB2  CYS   6           HB2      CYS   6   1.735   6.208  -7.377
   43    HB3  CYS   6           HB3      CYS   6   3.028   5.332  -8.185
   44    H    CYS   7           H        CYS   7   2.364   8.863  -7.806
   45    HA   CYS   7           HA       CYS   7   3.437   8.832 -10.540
   46    HB2  CYS   7           HB2      CYS   7   1.009   8.919  -9.884
   47    HB3  CYS   7           HB3      CYS   7   1.258  10.571  -9.324
   48    H    THR   8           H        THR   8   3.560  11.100  -7.769
   49    HA   THR   8           HA       THR   8   5.124  13.038  -9.430
   50    HB   THR   8           HB       THR   8   4.542  14.749  -7.884
   51    HG1  THR   8           HG1      THR   8   3.084  12.749  -6.472
   52   HG21  THR   8          HG21      THR   8   2.960  14.217  -9.708
   53   HG22  THR   8          HG22      THR   8   2.168  14.925  -8.292
   54   HG23  THR   8          HG23      THR   8   2.033  13.179  -8.602
   55    H    SER   9           H        SER   9   5.454  11.018  -6.567
   56    HA   SER   9           HA       SER   9   8.357  11.678  -6.664
   57    HG   SER   9           HG       SER   9   6.753  11.058  -2.986
   58    HB2  SER   9           HB2      SER   9   8.646  11.177  -4.359
   59    HB3  SER   9           HB3      SER   9   7.495  12.504  -4.544
   60    H    ILE  10           H        ILE  10   8.071   9.097  -4.756
   61    HA   ILE  10           HA       ILE  10   7.964   7.092  -6.946
   62    HB   ILE  10           HB       ILE  10  10.338   7.996  -6.642
   63   HG12  ILE  10          HG12      ILE  10   9.855   5.021  -6.314
   64   HG13  ILE  10          HG13      ILE  10   9.852   5.949  -7.814
   65   HG21  ILE  10          HG21      ILE  10  11.682   7.314  -4.771
   66   HG22  ILE  10          HG22      ILE  10  10.258   8.117  -4.118
   67   HG23  ILE  10          HG23      ILE  10  10.358   6.345  -4.088
   68   HD11  ILE  10          HD11      ILE  10  12.259   5.427  -6.040
   69   HD12  ILE  10          HD12      ILE  10  11.938   4.786  -7.658
   70   HD13  ILE  10          HD13      ILE  10  12.258   6.513  -7.453
   71    H    CYS  11           H        CYS  11   7.481   4.951  -6.254
   72    HA   CYS  11           HA       CYS  11   6.983   4.565  -3.354
   73    HB2  CYS  11           HB2      CYS  11   4.742   3.869  -3.629
   74    HB3  CYS  11           HB3      CYS  11   4.894   5.426  -4.423
   75    H    SER  12           H        SER  12   6.618   2.427  -2.699
   76    HA   SER  12           HA       SER  12   8.110   0.425  -4.366
   77    HG   SER  12           HG       SER  12   9.303  -1.210  -1.542
   78    HB2  SER  12           HB2      SER  12   9.013   0.938  -2.122
   79    HB3  SER  12           HB3      SER  12   7.500   0.336  -1.408
   80    H    LEU  13           H        LEU  13   7.500  -1.754  -4.311
   81    HA   LEU  13           HA       LEU  13   4.670  -2.314  -4.814
   82    HG   LEU  13           HG       LEU  13   7.596  -2.916  -6.327
   83    HB2  LEU  13           HB2      LEU  13   7.040  -4.180  -4.338
   84    HB3  LEU  13           HB3      LEU  13   5.477  -4.636  -4.968
   85   HD11  LEU  13          HD11      LEU  13   7.983  -5.353  -6.341
   86   HD12  LEU  13          HD12      LEU  13   7.632  -4.750  -7.972
   87   HD13  LEU  13          HD13      LEU  13   6.374  -5.609  -7.059
   88   HD21  LEU  13          HD21      LEU  13   5.457  -1.931  -6.971
   89   HD22  LEU  13          HD22      LEU  13   4.805  -3.543  -7.372
   90   HD23  LEU  13          HD23      LEU  13   6.130  -2.845  -8.319
   91    H    TYR  14           H        TYR  14   6.893  -2.670  -2.079
   92    HA   TYR  14           HA       TYR  14   5.167  -4.107  -0.316
   93    HD1  TYR  14           HD1      TYR  14   6.234  -5.392   1.657
   94    HD2  TYR  14           HD2      TYR  14   7.179  -1.252   2.420
   95    HE1  TYR  14           HE1      TYR  14   5.922  -5.775   4.091
   96    HE2  TYR  14           HE2      TYR  14   6.862  -1.629   4.859
   97    HH   TYR  14           HH       TYR  14   5.962  -4.841   6.197
   98    HB2  TYR  14           HB2      TYR  14   7.588  -3.831  -0.005
   99    HB3  TYR  14           HB3      TYR  14   7.389  -2.100   0.227
  100    H    GLN  15           H        GLN  15   5.231  -0.727  -1.242
  101    HA   GLN  15           HA       GLN  15   3.415   0.167   0.935
  102    HB2  GLN  15           HB2      GLN  15   4.550   1.599  -1.501
  103    HB3  GLN  15           HB3      GLN  15   3.493   2.337  -0.302
  104    HG2  GLN  15           HG2      GLN  15   5.114   2.020   1.470
  105    HG3  GLN  15           HG3      GLN  15   6.191   1.097   0.421
  106   HE21  GLN  15          HE21      GLN  15   6.732   3.690   1.895
  107   HE22  GLN  15          HE22      GLN  15   7.246   4.772   0.617
  108    H    LEU  16           H        LEU  16   3.245  -0.508  -2.628
  109    HA   LEU  16           HA       LEU  16   0.424  -0.048  -2.873
  110    HG   LEU  16           HG       LEU  16   2.671   0.521  -4.756
  111    HB2  LEU  16           HB2      LEU  16   2.319  -1.946  -4.310
  112    HB3  LEU  16           HB3      LEU  16   0.636  -1.748  -4.771
  113   HD11  LEU  16          HD11      LEU  16   2.647   0.252  -7.217
  114   HD12  LEU  16          HD12      LEU  16   1.580  -1.163  -7.060
  115   HD13  LEU  16          HD13      LEU  16   3.239  -1.208  -6.419
  116   HD21  LEU  16          HD21      LEU  16   0.337   1.348  -4.554
  117   HD22  LEU  16          HD22      LEU  16  -0.149   0.357  -5.938
  118   HD23  LEU  16          HD23      LEU  16   0.986   1.702  -6.154
  119    H    GLU  17           H        GLU  17   2.173  -2.944  -1.698
  120    HA   GLU  17           HA       GLU  17  -0.031  -4.646  -1.543
  121    HB2  GLU  17           HB2      GLU  17   2.350  -5.272  -1.220
  122    HB3  GLU  17           HB3      GLU  17   2.297  -4.583   0.407
  123    HG2  GLU  17           HG2      GLU  17   0.659  -6.219   1.122
  124    HG3  GLU  17           HG3      GLU  17   0.369  -6.744  -0.542
  125    H    ASN  18           H        ASN  18   0.663  -1.940   0.614
  126    HA   ASN  18           HA       ASN  18  -1.049  -2.648   2.807
  127    HB2  ASN  18           HB2      ASN  18   0.647  -0.855   2.870
  128    HB3  ASN  18           HB3      ASN  18  -0.259   0.066   1.671
  129   HD21  ASN  18          HD21      ASN  18  -1.847   1.469   2.369
  130   HD22  ASN  18          HD22      ASN  18  -2.407   1.548   4.028
  131    H    TYR  19           H        TYR  19  -1.795  -1.571  -0.446
  132    HA   TYR  19           HA       TYR  19  -4.589  -0.827   0.207
  133    HD1  TYR  19           HD2      TYR  19  -1.165   0.729  -0.652
  134    HD2  TYR  19           HD1      TYR  19  -5.261   2.014  -1.011
  135    HE1  TYR  19           HE2      TYR  19  -0.594   2.843   0.514
  136    HE2  TYR  19           HE1      TYR  19  -4.681   4.161   0.108
  137    HH   TYR  19           HH       TYR  19  -1.379   4.881   1.296
  138    HB2  TYR  19           HB2      TYR  19  -2.803  -0.406  -2.221
  139    HB3  TYR  19           HB3      TYR  19  -4.495   0.012  -2.158
  140    H    CYS  20           H        CYS  20  -3.096  -3.669  -0.399
  141    HA   CYS  20           HA       CYS  20  -5.072  -4.899  -2.173
  142    HB2  CYS  20           HB2      CYS  20  -3.138  -6.140  -0.195
  143    HB3  CYS  20           HB3      CYS  20  -4.093  -7.008  -1.395
  144    H    ASN  21           H        ASN  21  -6.472  -6.637  -1.453
  145    HA   ASN  21           HA       ASN  21  -7.683  -6.368   1.269
  146    HB2  ASN  21           HB2      ASN  21  -8.972  -4.996  -0.333
  147    HB3  ASN  21           HB3      ASN  21  -9.143  -6.378  -1.411
  148   HD21  ASN  21          HD22      ASN  21 -10.123  -8.377  -0.247
  149   HD22  ASN  21          HD21      ASN  21 -11.585  -8.022   0.690
  150    HA   PHE   1           HA       PHE   1  10.440  -5.919  -3.809
  151    HD1  PHE   1           HD1      PHE   1   7.920  -5.922  -2.900
  152    HD2  PHE   1           HD2      PHE   1  10.524  -5.499   0.523
  153    HE1  PHE   1           HE1      PHE   1   6.469  -7.457  -1.603
  154    HE2  PHE   1           HE2      PHE   1   9.082  -7.053   1.804
  155    HZ   PHE   1           HZ       PHE   1   7.050  -8.034   0.744
  156    H1   PHE   1           H1       PHE   1  11.526  -7.031  -1.984
  157    H2   PHE   1           H2       PHE   1  12.673  -5.863  -1.892
  158    H3   PHE   1           H3       PHE   1  12.581  -6.810  -3.221
  159    HB2  PHE   1           HB2      PHE   1  10.854  -4.102  -1.398
  160    HB3  PHE   1           HB3      PHE   1   9.569  -3.943  -2.580
  161    H    VAL   2           H        VAL   2  10.135  -3.677  -4.828
  162    HA   VAL   2           HA       VAL   2  12.631  -2.147  -5.260
  163    HB   VAL   2           HB       VAL   2  12.284  -2.043  -7.695
  164   HG11  VAL   2          HG11      VAL   2  13.249  -4.197  -8.290
  165   HG12  VAL   2          HG12      VAL   2  13.930  -3.639  -6.755
  166   HG13  VAL   2          HG13      VAL   2  12.695  -4.915  -6.766
  167   HG21  VAL   2          HG21      VAL   2  10.264  -4.307  -7.365
  168   HG22  VAL   2          HG22      VAL   2   9.891  -2.635  -7.856
  169   HG23  VAL   2          HG23      VAL   2  10.885  -3.664  -8.893
  170    H    ASN   3           H        ASN   3  12.240  -0.057  -6.232
  171    HA   ASN   3           HA       ASN   3   9.457   0.943  -5.915
  172    HB2  ASN   3           HB2      ASN   3  10.483   3.094  -5.076
  173    HB3  ASN   3           HB3      ASN   3  10.540   1.718  -3.997
  174   HD21  ASN   3          HD21      ASN   3  12.831   2.564  -6.724
  175   HD22  ASN   3          HD22      ASN   3  14.211   2.686  -5.646
  176    H    GLN   4           H        GLN   4   8.676   2.519  -7.244
  177    HA   GLN   4           HA       GLN   4  10.208   3.184  -9.712
  178    HB2  GLN   4           HB2      GLN   4   7.610   1.571  -9.585
  179    HB3  GLN   4           HB3      GLN   4   8.312   2.225 -11.064
  180    HG2  GLN   4           HG2      GLN   4  10.345   0.808 -10.708
  181    HG3  GLN   4           HG3      GLN   4   9.548   0.065  -9.309
  182   HE21  GLN   4          HE21      GLN   4   7.333  -0.997  -9.768
  183   HE22  GLN   4          HE22      GLN   4   7.165  -1.769 -11.335
  184    H    HIS   5           H        HIS   5   8.994   4.646 -11.141
  185    HA   HIS   5           HA       HIS   5   6.917   6.342  -9.869
  186    HD1  HIS   5           HD1      HIS   5   7.918   8.893  -9.666
  187    HD2  HIS   5           HD2      HIS   5  10.483   7.396 -12.647
  188    HE1  HIS   5           HE1      HIS   5   9.993  10.323  -9.578
  189    HB2  HIS   5           HB2      HIS   5   8.132   6.366 -12.668
  190    HB3  HIS   5           HB3      HIS   5   6.911   7.480 -12.072
  191    H    LEU   6           H        LEU   6   4.777   5.984 -10.261
  192    HA   LEU   6           HA       LEU   6   3.824   4.149 -12.372
  193    HG   LEU   6           HG       LEU   6   5.484   2.456 -10.488
  194    HB2  LEU   6           HB2      LEU   6   3.560   3.638  -9.376
  195    HB3  LEU   6           HB3      LEU   6   2.469   2.926 -10.550
  196   HD11  LEU   6          HD11      LEU   6   4.910   0.246  -9.558
  197   HD12  LEU   6          HD12      LEU   6   3.204   0.729  -9.471
  198   HD13  LEU   6          HD13      LEU   6   4.419   1.562  -8.480
  199   HD21  LEU   6          HD21      LEU   6   3.255   1.040 -12.032
  200   HD22  LEU   6          HD22      LEU   6   4.964   0.553 -11.992
  201   HD23  LEU   6          HD23      LEU   6   4.510   2.086 -12.744
  202    H    CYS   7           H        CYS   7   1.752   4.687 -13.032
  203    HA   CYS   7           HA       CYS   7   0.031   6.388 -11.407
  204    HB2  CYS   7           HB2      CYS   7   1.909   7.827 -12.493
  205    HB3  CYS   7           HB3      CYS   7   1.009   7.631 -13.988
  206    H    GLY   8           H        GLY   8  -1.992   6.805 -12.355
  207    HA2  GLY   8           HA2      GLY   8  -3.964   6.175 -13.435
  208    HA3  GLY   8           HA3      GLY   8  -2.941   6.142 -14.870
  209    H    SER   9           H        SER   9  -3.691   4.435 -15.965
  210    HA   SER   9           HA       SER   9  -4.678   2.000 -14.962
  211    HG   SER   9           HG       SER   9  -5.375   2.947 -18.369
  212    HB2  SER   9           HB2      SER   9  -3.244   2.469 -17.602
  213    HB3  SER   9           HB3      SER   9  -4.390   1.167 -17.228
  214    H    HIS  10           H        HIS  10  -1.274   2.913 -15.593
  215    HA   HIS  10           HA       HIS  10  -0.299   0.176 -15.306
  216    HD1  HIS  10           HD1      HIS  10   0.817  -0.569 -17.340
  217    HD2  HIS  10           HD2      HIS  10   1.097   3.603 -17.952
  218    HE1  HIS  10           HE1      HIS  10   0.783  -0.203 -19.854
  219    HB2  HIS  10           HB2      HIS  10   1.067   2.876 -15.448
  220    HB3  HIS  10           HB3      HIS  10   1.934   1.356 -15.259
  221    H    LEU  11           H        LEU  11  -0.821   2.880 -13.023
  222    HA   LEU  11           HA       LEU  11   0.437   1.507 -10.778
  223    HG   LEU  11           HG       LEU  11  -0.281   2.312  -8.592
  224    HB2  LEU  11           HB2      LEU  11   0.007   3.893 -10.742
  225    HB3  LEU  11           HB3      LEU  11  -1.732   3.667 -10.872
  226   HD11  LEU  11          HD11      LEU  11   0.662   4.575  -8.641
  227   HD12  LEU  11          HD12      LEU  11  -0.410   4.376  -7.245
  228   HD13  LEU  11          HD13      LEU  11  -0.967   5.274  -8.682
  229   HD21  LEU  11          HD21      LEU  11  -3.009   3.687  -8.811
  230   HD22  LEU  11          HD22      LEU  11  -2.359   2.939  -7.334
  231   HD23  LEU  11          HD23      LEU  11  -2.728   1.942  -8.735
  232    H    VAL  12           H        VAL  12  -2.915   1.671 -12.035
  233    HA   VAL  12           HA       VAL  12  -4.017  -0.103 -10.096
  234    HB   VAL  12           HB       VAL  12  -4.942   0.471 -12.942
  235   HG11  VAL  12          HG11      VAL  12  -5.994  -1.632 -12.235
  236   HG12  VAL  12          HG12      VAL  12  -6.436  -0.911 -10.670
  237   HG13  VAL  12          HG13      VAL  12  -7.180  -0.332 -12.178
  238   HG21  VAL  12          HG21      VAL  12  -6.586   1.955 -11.785
  239   HG22  VAL  12          HG22      VAL  12  -5.810   1.576 -10.236
  240   HG23  VAL  12          HG23      VAL  12  -4.924   2.464 -11.477
  241    H    GLU  13           H        GLU  13  -2.544  -0.818 -13.261
  242    HA   GLU  13           HA       GLU  13  -2.798  -3.654 -13.278
  243    HB2  GLU  13           HB2      GLU  13  -2.182  -2.259 -15.199
  244    HB3  GLU  13           HB3      GLU  13  -0.699  -1.758 -14.393
  245    HG2  GLU  13           HG2      GLU  13   0.206  -4.020 -14.560
  246    HG3  GLU  13           HG3      GLU  13  -1.313  -4.603 -15.251
  247    H    ALA  14           H        ALA  14  -0.064  -1.593 -12.083
  248    HA   ALA  14           HA       ALA  14   1.542  -3.759 -11.138
  249    HB1  ALA  14           HB1      ALA  14   2.735  -1.992  -9.876
  250    HB2  ALA  14           HB2      ALA  14   2.402  -1.481 -11.538
  251    HB3  ALA  14           HB3      ALA  14   1.409  -0.855 -10.197
  252    H    LEU  15           H        LEU  15  -0.840  -1.741  -9.380
  253    HA   LEU  15           HA       LEU  15  -0.623  -2.962  -6.833
  254    HG   LEU  15           HG       LEU  15  -3.810  -2.843  -6.294
  255    HB2  LEU  15           HB2      LEU  15  -1.759  -0.824  -7.287
  256    HB3  LEU  15           HB3      LEU  15  -2.974  -1.638  -8.262
  257   HD11  LEU  15          HD11      LEU  15  -1.764  -2.984  -4.893
  258   HD12  LEU  15          HD12      LEU  15  -3.090  -2.235  -4.015
  259   HD13  LEU  15          HD13      LEU  15  -1.787  -1.219  -4.678
  260   HD21  LEU  15          HD21      LEU  15  -4.754  -0.650  -6.907
  261   HD22  LEU  15          HD22      LEU  15  -3.566   0.167  -5.860
  262   HD23  LEU  15          HD23      LEU  15  -4.816  -0.888  -5.155
  263    H    TYR  16           H        TYR  16  -2.966  -3.733  -9.482
  264    HA   TYR  16           HA       TYR  16  -4.151  -6.003  -8.293
  265    HD1  TYR  16           HD2      TYR  16  -6.039  -7.396  -9.279
  266    HD2  TYR  16           HD1      TYR  16  -3.463  -6.988 -12.715
  267    HE1  TYR  16           HE2      TYR  16  -6.805  -9.606 -10.112
  268    HE2  TYR  16           HE1      TYR  16  -4.219  -9.207 -13.546
  269    HH   TYR  16           HH       TYR  16  -6.635 -11.190 -11.773
  270    HB2  TYR  16           HB2      TYR  16  -5.082  -5.042 -10.273
  271    HB3  TYR  16           HB3      TYR  16  -3.587  -5.233 -11.170
  272    H    LEU  17           H        LEU  17  -1.129  -5.866 -10.211
  273    HA   LEU  17           HA       LEU  17  -0.649  -8.720 -10.080
  274    HG   LEU  17           HG       LEU  17  -0.743  -6.989 -12.439
  275    HB2  LEU  17           HB2      LEU  17   1.111  -6.339 -10.793
  276    HB3  LEU  17           HB3      LEU  17   1.673  -8.001 -10.878
  277   HD11  LEU  17          HD11      LEU  17   2.144  -7.368 -13.362
  278   HD12  LEU  17          HD12      LEU  17   1.332  -5.806 -13.119
  279   HD13  LEU  17          HD13      LEU  17   0.761  -6.906 -14.386
  280   HD21  LEU  17          HD21      LEU  17   0.903  -9.537 -12.694
  281   HD22  LEU  17          HD22      LEU  17  -0.370  -9.016 -13.813
  282   HD23  LEU  17          HD23      LEU  17  -0.786  -9.423 -12.152
  283    H    VAL  18           H        VAL  18   0.390  -6.059  -8.019
  284    HA   VAL  18           HA       VAL  18   2.135  -7.625  -6.305
  285    HB   VAL  18           HB       VAL  18   0.625  -5.021  -5.890
  286   HG11  VAL  18          HG11      VAL  18   1.863  -4.691  -3.779
  287   HG12  VAL  18          HG12      VAL  18   0.695  -6.001  -3.647
  288   HG13  VAL  18          HG13      VAL  18   2.425  -6.377  -3.837
  289   HG21  VAL  18          HG21      VAL  18   3.610  -5.677  -5.980
  290   HG22  VAL  18          HG22      VAL  18   2.689  -5.042  -7.348
  291   HG23  VAL  18          HG23      VAL  18   2.882  -4.059  -5.892
  292    H    CYS  19           H        CYS  19  -1.352  -6.808  -6.160
  293    HA   CYS  19           HA       CYS  19  -1.800  -8.276  -3.723
  294    HB2  CYS  19           HB2      CYS  19  -3.781  -7.332  -5.833
  295    HB3  CYS  19           HB3      CYS  19  -4.174  -7.870  -4.206
  296    H    GLY  20           H        GLY  20  -2.220  -9.204  -7.152
  297    HA2  GLY  20           HA2      GLY  20  -2.350 -11.312  -8.135
  298    HA3  GLY  20           HA3      GLY  20  -1.642 -11.939  -6.638
  299    H    GLU  21           H        GLU  21  -2.869 -13.135  -5.316
  300    HA   GLU  21           HA       GLU  21  -5.608 -13.836  -6.045
  301    HB2  GLU  21           HB2      GLU  21  -5.476 -15.478  -4.305
  302    HB3  GLU  21           HB3      GLU  21  -4.039 -15.545  -5.323
  303    HG2  GLU  21           HG2      GLU  21  -2.779 -14.266  -3.553
  304    HG3  GLU  21           HG3      GLU  21  -4.218 -14.322  -2.532
  305    H    ARG  22           H        ARG  22  -4.177 -11.544  -3.836
  306    HA   ARG  22           HA       ARG  22  -6.628 -11.110  -2.247
  307    HE   ARG  22           HE       ARG  22  -2.020 -10.876  -2.622
  308    HB2  ARG  22           HB2      ARG  22  -4.104  -9.418  -2.575
  309    HB3  ARG  22           HB3      ARG  22  -5.501  -8.971  -1.624
  310    HG2  ARG  22           HG2      ARG  22  -4.003  -9.751  -0.053
  311    HG3  ARG  22           HG3      ARG  22  -5.168 -11.059  -0.235
  312    HD2  ARG  22           HD2      ARG  22  -2.906 -11.948  -0.020
  313    HD3  ARG  22           HD3      ARG  22  -3.542 -12.314  -1.614
  314   HH11  ARG  22          HH11      ARG  22  -1.612 -10.503   0.896
  315   HH12  ARG  22          HH12      ARG  22  -0.075  -9.703   0.674
  316   HH21  ARG  22          HH21      ARG  22  -0.022  -9.831  -2.754
  317   HH22  ARG  22          HH22      ARG  22   0.770  -9.332  -1.277
  318    H    GLY  23           H        GLY  23  -7.950  -9.224  -2.483
  319    HA2  GLY  23           HA2      GLY  23  -8.307  -8.110  -5.222
  320    HA3  GLY  23           HA3      GLY  23  -9.287  -7.759  -3.777
  321    H    PHE  24           H        PHE  24  -8.884  -5.514  -4.859
  322    HA   PHE  24           HA       PHE  24  -6.868  -4.152  -3.234
  323    HD1  PHE  24           HD1      PHE  24  -6.950  -1.697  -6.603
  324    HD2  PHE  24           HD2      PHE  24  -6.825  -5.979  -7.121
  325    HE1  PHE  24           HE1      PHE  24  -7.889  -1.457  -8.892
  326    HE2  PHE  24           HE2      PHE  24  -7.764  -5.728  -9.408
  327    HZ   PHE  24           HZ       PHE  24  -8.283  -3.468 -10.300
  328    HB2  PHE  24           HB2      PHE  24  -5.690  -3.132  -5.040
  329    HB3  PHE  24           HB3      PHE  24  -5.614  -4.865  -5.267
  330    H    PHE  25           H        PHE  25  -6.951  -1.857  -3.303
  331    HA   PHE  25           HA       PHE  25  -9.003  -0.461  -4.841
  332    HD1  PHE  25           HD2      PHE  25 -11.562   0.420  -4.515
  333    HD2  PHE  25           HD1      PHE  25  -9.252   1.776  -1.131
  334    HE1  PHE  25           HE2      PHE  25 -12.724   2.608  -4.590
  335    HE2  PHE  25           HE1      PHE  25 -10.428   3.954  -1.205
  336    HZ   PHE  25           HZ       PHE  25 -12.162   4.382  -2.932
  337    HB2  PHE  25           HB2      PHE  25 -10.346  -1.181  -2.916
  338    HB3  PHE  25           HB3      PHE  25  -9.154  -0.531  -1.801
  339    H    TYR  26           H        TYR  26  -7.706   1.024  -5.737
  340    HA   TYR  26           HA       TYR  26  -5.507   2.311  -4.313
  341    HD1  TYR  26           HD2      TYR  26  -7.354   0.642  -7.589
  342    HD2  TYR  26           HD1      TYR  26  -6.493   4.861  -7.771
  343    HE1  TYR  26           HE2      TYR  26  -9.030   0.901  -9.400
  344    HE2  TYR  26           HE1      TYR  26  -8.145   5.118  -9.615
  345    HH   TYR  26           HH       TYR  26 -10.047   2.342 -10.867
  346    HB2  TYR  26           HB2      TYR  26  -5.143   3.436  -6.437
  347    HB3  TYR  26           HB3      TYR  26  -5.207   1.705  -6.638
  348    H    THR  27           H        THR  27  -5.332   4.575  -4.001
  349    HA   THR  27           HA       THR  27  -7.919   6.030  -3.531
  350    HB   THR  27           HB       THR  27  -6.717   7.160  -1.706
  351    HG1  THR  27           HG1      THR  27  -4.646   6.516  -2.727
  352   HG21  THR  27          HG21      THR  27  -8.153   5.181  -1.260
  353   HG22  THR  27          HG22      THR  27  -6.796   5.305  -0.129
  354   HG23  THR  27          HG23      THR  27  -6.734   4.124  -1.445
  355    HA   PRO  28           HA       PRO  28  -5.640   8.751  -6.452
  356    HB2  PRO  28           HB2      PRO  28  -7.449   8.990  -8.448
  357    HB3  PRO  28           HB3      PRO  28  -6.646   7.424  -8.166
  358    HG2  PRO  28           HG2      PRO  28  -9.367   8.315  -7.137
  359    HG3  PRO  28           HG3      PRO  28  -8.976   6.823  -8.047
  360    HD2  PRO  28           HD2      PRO  28  -9.094   6.909  -5.297
  361    HD3  PRO  28           HD3      PRO  28  -7.980   5.829  -6.188
  362    H    LYS  29           H        LYS  29  -6.525  10.846  -7.627
  363    HA   LYS  29           HA       LYS  29  -8.899  12.102  -6.683
  364    HB2  LYS  29           HB2      LYS  29  -7.871  14.199  -5.805
  365    HB3  LYS  29           HB3      LYS  29  -7.702  12.805  -4.751
  366    HG2  LYS  29           HG2      LYS  29  -5.376  12.542  -5.278
  367    HG3  LYS  29           HG3      LYS  29  -5.479  13.651  -6.650
  368    HD2  LYS  29           HD2      LYS  29  -4.348  14.645  -4.667
  369    HD3  LYS  29           HD3      LYS  29  -5.722  15.568  -5.259
  370    HE2  LYS  29           HE2      LYS  29  -5.618  15.521  -2.814
  371    HE3  LYS  29           HE3      LYS  29  -7.127  14.839  -3.425
  372    HZ1  LYS  29           HZ1      LYS  29  -6.341  12.653  -2.949
  373    HZ2  LYS  29           HZ2      LYS  29  -6.052  13.534  -1.604
  374    HZ3  LYS  29           HZ3      LYS  29  -4.824  13.140  -2.617
  375    H    THR  30           H        THR  30  -9.319  14.181  -7.746
  376    HA   THR  30           HA       THR  30  -8.626  14.146 -10.561
  377    HB   THR  30           HB       THR  30  -9.980  16.305 -10.577
  378    HG1  THR  30           HG1      THR  30  -9.627  16.747  -8.340
  379   HG21  THR  30          HG21      THR  30 -10.981  14.119 -11.115
  380   HG22  THR  30          HG22      THR  30 -12.121  15.149 -10.230
  381   HG23  THR  30          HG23      THR  30 -11.297  13.823  -9.387
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -3.523   9.359  -0.237
    2    H2   GLY   1           H2       GLY   1  -1.995   9.358  -0.838
    3    H3   GLY   1           H3       GLY   1  -2.747   7.936  -0.485
    4    HA2  GLY   1           HA2      GLY   1  -4.389   8.308  -2.224
    5    HA3  GLY   1           HA3      GLY   1  -3.603   9.855  -2.558
    6    H    ILE   2           H        ILE   2  -3.513   6.421  -3.137
    7    HA   ILE   2           HA       ILE   2  -0.763   6.114  -3.676
    8    HB   ILE   2           HB       ILE   2  -2.207   4.274  -3.154
    9   HG12  ILE   2          HG12      ILE   2  -0.996   3.786  -5.890
   10   HG13  ILE   2          HG13      ILE   2  -0.036   4.014  -4.423
   11   HG21  ILE   2          HG21      ILE   2  -3.390   4.465  -5.965
   12   HG22  ILE   2          HG22      ILE   2  -3.778   3.261  -4.724
   13   HG23  ILE   2          HG23      ILE   2  -4.237   4.941  -4.476
   14   HD11  ILE   2          HD11      ILE   2  -1.057   2.045  -3.387
   15   HD12  ILE   2          HD12      ILE   2  -2.077   1.787  -4.819
   16   HD13  ILE   2          HD13      ILE   2  -0.319   1.648  -4.948
   17    H    VAL   3           H        VAL   3  -3.264   7.111  -6.042
   18    HA   VAL   3           HA       VAL   3  -1.487   6.658  -8.281
   19    HB   VAL   3           HB       VAL   3  -3.896   8.487  -8.187
   20   HG11  VAL   3          HG11      VAL   3  -2.374   7.350 -10.564
   21   HG12  VAL   3          HG12      VAL   3  -3.941   8.173 -10.662
   22   HG13  VAL   3          HG13      VAL   3  -2.524   9.068 -10.119
   23   HG21  VAL   3          HG21      VAL   3  -5.115   6.631  -9.205
   24   HG22  VAL   3          HG22      VAL   3  -3.646   5.624  -9.168
   25   HG23  VAL   3          HG23      VAL   3  -4.441   6.087  -7.664
   26    H    GLU   4           H        GLU   4  -2.000   9.517  -6.193
   27    HA   GLU   4           HA       GLU   4  -0.146  11.204  -7.720
   28    HB2  GLU   4           HB2      GLU   4  -1.258  11.421  -4.897
   29    HB3  GLU   4           HB3      GLU   4  -0.179  12.604  -5.626
   30    HG2  GLU   4           HG2      GLU   4  -2.945  11.835  -6.643
   31    HG3  GLU   4           HG3      GLU   4  -2.542  13.301  -5.750
   32    H    GLN   5           H        GLN   5   0.090   9.127  -4.766
   33    HA   GLN   5           HA       GLN   5   2.788   9.802  -4.201
   34    HB2  GLN   5           HB2      GLN   5   1.177   8.696  -2.628
   35    HB3  GLN   5           HB3      GLN   5   1.280   7.222  -3.594
   36    HG2  GLN   5           HG2      GLN   5   2.674   7.043  -1.599
   37    HG3  GLN   5           HG3      GLN   5   3.679   6.993  -3.037
   38   HE21  GLN   5          HE21      GLN   5   5.548   8.307  -2.916
   39   HE22  GLN   5          HE22      GLN   5   5.642   9.708  -1.856
   40    H    CYS   6           H        CYS   6   1.481   7.241  -6.342
   41    HA   CYS   6           HA       CYS   6   4.167   6.236  -6.937
   42    HB2  CYS   6           HB2      CYS   6   1.391   5.669  -8.014
   43    HB3  CYS   6           HB3      CYS   6   2.844   4.875  -8.592
   44    H    CYS   7           H        CYS   7   2.039   8.561  -8.481
   45    HA   CYS   7           HA       CYS   7   3.669   8.364 -10.987
   46    HB2  CYS   7           HB2      CYS   7   1.184   7.958 -11.029
   47    HB3  CYS   7           HB3      CYS   7   0.962   9.664 -10.630
   48    H    THR   8           H        THR   8   2.430  10.836  -8.701
   49    HA   THR   8           HA       THR   8   3.923  13.016 -10.035
   50    HB   THR   8           HB       THR   8   2.284  13.043  -7.462
   51    HG1  THR   8           HG1      THR   8   0.639  13.733  -8.736
   52   HG21  THR   8          HG21      THR   8   3.825  14.965  -7.632
   53   HG22  THR   8          HG22      THR   8   2.159  15.482  -7.903
   54   HG23  THR   8          HG23      THR   8   3.257  15.292  -9.287
   55    H    SER   9           H        SER   9   3.918  11.243  -6.944
   56    HA   SER   9           HA       SER   9   6.799  11.958  -6.499
   57    HG   SER   9           HG       SER   9   5.881  13.253  -4.498
   58    HB2  SER   9           HB2      SER   9   4.818  10.595  -4.640
   59    HB3  SER   9           HB3      SER   9   6.477  11.062  -4.244
   60    H    ILE  10           H        ILE  10   7.483   9.606  -5.053
   61    HA   ILE  10           HA       ILE  10   7.328   7.414  -7.081
   62    HB   ILE  10           HB       ILE  10   9.612   8.533  -6.752
   63   HG12  ILE  10          HG12      ILE  10   9.392   5.548  -6.231
   64   HG13  ILE  10          HG13      ILE  10   9.270   6.375  -7.794
   65   HG21  ILE  10          HG21      ILE  10   9.674   7.026  -4.107
   66   HG22  ILE  10          HG22      ILE  10  10.941   8.047  -4.814
   67   HG23  ILE  10          HG23      ILE  10   9.442   8.785  -4.246
   68   HD11  ILE  10          HD11      ILE  10  11.754   6.274  -6.051
   69   HD12  ILE  10          HD12      ILE  10  11.466   5.394  -7.557
   70   HD13  ILE  10          HD13      ILE  10  11.589   7.169  -7.586
   71    H    CYS  11           H        CYS  11   6.976   5.266  -6.249
   72    HA   CYS  11           HA       CYS  11   6.272   5.090  -3.354
   73    HB2  CYS  11           HB2      CYS  11   4.156   4.130  -3.769
   74    HB3  CYS  11           HB3      CYS  11   4.235   5.578  -4.753
   75    H    SER  12           H        SER  12   5.943   2.895  -2.593
   76    HA   SER  12           HA       SER  12   7.846   0.955  -3.882
   77    HG   SER  12           HG       SER  12   8.590  -0.431  -0.751
   78    HB2  SER  12           HB2      SER  12   8.412   1.645  -1.610
   79    HB3  SER  12           HB3      SER  12   6.826   1.070  -1.043
   80    H    LEU  13           H        LEU  13   7.387  -1.229  -3.811
   81    HA   LEU  13           HA       LEU  13   4.719  -2.076  -4.626
   82    HG   LEU  13           HG       LEU  13   7.781  -2.489  -5.729
   83    HB2  LEU  13           HB2      LEU  13   7.138  -3.680  -3.688
   84    HB3  LEU  13           HB3      LEU  13   5.707  -4.328  -4.456
   85   HD11  LEU  13          HD11      LEU  13   8.473  -4.848  -5.451
   86   HD12  LEU  13          HD12      LEU  13   8.266  -4.424  -7.155
   87   HD13  LEU  13          HD13      LEU  13   7.017  -5.375  -6.321
   88   HD21  LEU  13          HD21      LEU  13   6.577  -2.769  -7.863
   89   HD22  LEU  13          HD22      LEU  13   5.606  -1.884  -6.686
   90   HD23  LEU  13          HD23      LEU  13   5.262  -3.599  -7.012
   91    H    TYR  14           H        TYR  14   6.490  -1.941  -1.593
   92    HA   TYR  14           HA       TYR  14   4.639  -3.417   0.028
   93    HD1  TYR  14           HD1      TYR  14   5.882  -4.494   2.234
   94    HD2  TYR  14           HD2      TYR  14   5.664  -0.217   2.730
   95    HE1  TYR  14           HE1      TYR  14   5.315  -4.805   4.638
   96    HE2  TYR  14           HE2      TYR  14   5.108  -0.518   5.133
   97    HH   TYR  14           HH       TYR  14   4.737  -2.027   6.841
   98    HB2  TYR  14           HB2      TYR  14   6.969  -2.853   0.618
   99    HB3  TYR  14           HB3      TYR  14   6.554  -1.146   0.708
  100    H    GLN  15           H        GLN  15   4.481  -0.187  -1.302
  101    HA   GLN  15           HA       GLN  15   2.290   0.686   0.521
  102    HB2  GLN  15           HB2      GLN  15   3.691   2.095  -1.793
  103    HB3  GLN  15           HB3      GLN  15   2.379   2.779  -0.847
  104    HG2  GLN  15           HG2      GLN  15   3.712   2.704   1.200
  105    HG3  GLN  15           HG3      GLN  15   5.043   1.895   0.366
  106   HE21  GLN  15          HE21      GLN  15   4.142   4.923   1.473
  107   HE22  GLN  15          HE22      GLN  15   5.054   5.874   0.310
  108    H    LEU  16           H        LEU  16   2.842  -0.354  -2.875
  109    HA   LEU  16           HA       LEU  16   0.102  -0.302  -3.710
  110    HG   LEU  16           HG       LEU  16   0.657  -0.206  -6.013
  111    HB2  LEU  16           HB2      LEU  16   2.496  -2.038  -4.437
  112    HB3  LEU  16           HB3      LEU  16   0.894  -2.472  -4.983
  113   HD11  LEU  16          HD11      LEU  16   3.650   0.032  -5.543
  114   HD12  LEU  16          HD12      LEU  16   2.403   1.078  -4.823
  115   HD13  LEU  16          HD13      LEU  16   2.657   1.081  -6.572
  116   HD21  LEU  16          HD21      LEU  16   1.964  -0.788  -7.986
  117   HD22  LEU  16          HD22      LEU  16   1.290  -2.260  -7.273
  118   HD23  LEU  16          HD23      LEU  16   3.003  -1.867  -7.032
  119    H    GLU  17           H        GLU  17   1.880  -2.898  -1.942
  120    HA   GLU  17           HA       GLU  17  -0.428  -4.527  -1.595
  121    HB2  GLU  17           HB2      GLU  17   1.996  -5.217  -1.350
  122    HB3  GLU  17           HB3      GLU  17   1.992  -4.451   0.247
  123    HG2  GLU  17           HG2      GLU  17   0.226  -5.984   1.008
  124    HG3  GLU  17           HG3      GLU  17   0.008  -6.597  -0.636
  125    H    ASN  18           H        ASN  18   0.713  -1.763   0.380
  126    HA   ASN  18           HA       ASN  18  -1.061  -2.184   2.590
  127    HB2  ASN  18           HB2      ASN  18   0.925  -0.682   2.596
  128    HB3  ASN  18           HB3      ASN  18   0.091   0.403   1.477
  129   HD21  ASN  18          HD21      ASN  18  -1.301   1.964   2.334
  130   HD22  ASN  18          HD22      ASN  18  -1.736   2.032   4.033
  131    H    TYR  19           H        TYR  19  -1.620  -0.885  -0.630
  132    HA   TYR  19           HA       TYR  19  -4.364   0.029  -0.010
  133    HD1  TYR  19           HD1      TYR  19  -1.575   2.037  -0.688
  134    HD2  TYR  19           HD2      TYR  19  -5.586   2.106  -2.264
  135    HE1  TYR  19           HE1      TYR  19  -1.790   4.435  -0.026
  136    HE2  TYR  19           HE2      TYR  19  -5.824   4.475  -1.564
  137    HH   TYR  19           HH       TYR  19  -4.849   6.258  -0.529
  138    HB2  TYR  19           HB2      TYR  19  -2.454   0.254  -2.307
  139    HB3  TYR  19           HB3      TYR  19  -4.159   0.248  -2.694
  140    H    CYS  20           H        CYS  20  -3.214  -2.997  -0.169
  141    HA   CYS  20           HA       CYS  20  -5.627  -4.097  -1.583
  142    HB2  CYS  20           HB2      CYS  20  -2.926  -5.343  -1.003
  143    HB3  CYS  20           HB3      CYS  20  -4.289  -6.167  -1.771
  144    H    ASN  21           H        ASN  21  -6.369  -6.209  -0.733
  145    HA   ASN  21           HA       ASN  21  -7.276  -5.938   1.989
  146    HB2  ASN  21           HB2      ASN  21  -8.607  -6.966   0.148
  147    HB3  ASN  21           HB3      ASN  21  -7.446  -8.285   0.055
  148   HD21  ASN  21          HD21      ASN  21  -9.647  -6.665   2.402
  149   HD22  ASN  21          HD22      ASN  21 -10.040  -8.156   3.246
  150    HA   PHE   1           HA       PHE   1  10.469  -5.282  -2.481
  151    HD1  PHE   1           HD1      PHE   1  10.711  -1.421  -0.953
  152    HD2  PHE   1           HD2      PHE   1   9.086  -4.519   1.583
  153    HE1  PHE   1           HE1      PHE   1  11.120  -0.012   1.039
  154    HE2  PHE   1           HE2      PHE   1   9.487  -3.093   3.569
  155    HZ   PHE   1           HZ       PHE   1  10.508  -0.841   3.304
  156    H1   PHE   1           H1       PHE   1  12.439  -5.771  -1.237
  157    H2   PHE   1           H2       PHE   1  11.115  -6.042  -0.311
  158    H3   PHE   1           H3       PHE   1  12.037  -4.704  -0.062
  159    HB2  PHE   1           HB2      PHE   1   9.038  -3.348  -1.778
  160    HB3  PHE   1           HB3      PHE   1   8.931  -4.759  -0.760
  161    H    VAL   2           H        VAL   2  10.135  -3.107  -3.746
  162    HA   VAL   2           HA       VAL   2  12.543  -1.375  -3.767
  163    HB   VAL   2           HB       VAL   2  12.704  -1.472  -6.220
  164   HG11  VAL   2          HG11      VAL   2  14.235  -2.810  -4.808
  165   HG12  VAL   2          HG12      VAL   2  13.153  -4.214  -4.982
  166   HG13  VAL   2          HG13      VAL   2  13.968  -3.525  -6.403
  167   HG21  VAL   2          HG21      VAL   2  11.733  -3.304  -7.527
  168   HG22  VAL   2          HG22      VAL   2  10.864  -3.904  -6.106
  169   HG23  VAL   2          HG23      VAL   2  10.449  -2.323  -6.800
  170    H    ASN   3           H        ASN   3  12.223   0.603  -5.025
  171    HA   ASN   3           HA       ASN   3   9.368   1.405  -5.209
  172    HB2  ASN   3           HB2      ASN   3  10.024   3.649  -4.587
  173    HB3  ASN   3           HB3      ASN   3  10.466   2.500  -3.340
  174   HD21  ASN   3          HD21      ASN   3  11.572   5.051  -3.359
  175   HD22  ASN   3          HD22      ASN   3  13.273   4.923  -3.770
  176    H    GLN   4           H        GLN   4   8.659   2.785  -6.773
  177    HA   GLN   4           HA       GLN   4  10.279   3.223  -9.216
  178    HB2  GLN   4           HB2      GLN   4   7.807   1.423  -9.079
  179    HB3  GLN   4           HB3      GLN   4   8.509   2.036 -10.569
  180    HG2  GLN   4           HG2      GLN   4  10.626   0.810 -10.079
  181    HG3  GLN   4           HG3      GLN   4   9.873   0.121  -8.631
  182   HE21  GLN   4          HE21      GLN   4   9.538   0.256 -12.242
  183   HE22  GLN   4          HE22      GLN   4   8.699  -1.281 -12.325
  184    H    HIS   5           H        HIS   5   9.126   4.533 -10.802
  185    HA   HIS   5           HA       HIS   5   6.786   6.060  -9.774
  186    HD1  HIS   5           HD1      HIS   5   7.220   8.858  -9.472
  187    HD2  HIS   5           HD2      HIS   5  10.709   7.466 -11.385
  188    HE1  HIS   5           HE1      HIS   5   9.111  10.324  -8.646
  189    HB2  HIS   5           HB2      HIS   5   8.490   6.432 -12.273
  190    HB3  HIS   5           HB3      HIS   5   7.032   7.334 -11.902
  191    H    LEU   6           H        LEU   6   4.801   5.490 -10.416
  192    HA   LEU   6           HA       LEU   6   4.331   3.601 -12.665
  193    HG   LEU   6           HG       LEU   6   5.795   2.320 -10.235
  194    HB2  LEU   6           HB2      LEU   6   3.501   3.227  -9.758
  195    HB3  LEU   6           HB3      LEU   6   2.862   2.270 -11.091
  196   HD11  LEU   6          HD11      LEU   6   4.379   1.417  -8.450
  197   HD12  LEU   6          HD12      LEU   6   5.324   0.125  -9.209
  198   HD13  LEU   6          HD13      LEU   6   3.596   0.313  -9.590
  199   HD21  LEU   6          HD21      LEU   6   5.469   1.622 -12.598
  200   HD22  LEU   6          HD22      LEU   6   4.267   0.422 -12.088
  201   HD23  LEU   6          HD23      LEU   6   5.961   0.253 -11.596
  202    H    CYS   7           H        CYS   7   2.499   4.129 -13.768
  203    HA   CYS   7           HA       CYS   7   0.590   6.120 -12.618
  204    HB2  CYS   7           HB2      CYS   7   2.040   6.245 -15.283
  205    HB3  CYS   7           HB3      CYS   7   0.746   7.328 -14.805
  206    H    GLY   8           H        GLY   8  -1.458   5.996 -13.386
  207    HA2  GLY   8           HA2      GLY   8  -3.367   5.275 -14.486
  208    HA3  GLY   8           HA3      GLY   8  -2.307   5.234 -15.886
  209    H    SER   9           H        SER   9  -2.861   3.474 -16.987
  210    HA   SER   9           HA       SER   9  -3.934   1.065 -15.993
  211    HG   SER   9           HG       SER   9  -4.408   1.849 -19.453
  212    HB2  SER   9           HB2      SER   9  -2.299   1.470 -18.532
  213    HB3  SER   9           HB3      SER   9  -3.459   0.166 -18.203
  214    H    HIS  10           H        HIS  10  -0.495   1.984 -16.375
  215    HA   HIS  10           HA       HIS  10   0.457  -0.735 -15.826
  216    HD1  HIS  10           HD1      HIS  10   1.796  -1.627 -17.667
  217    HD2  HIS  10           HD2      HIS  10   2.153   2.478 -18.576
  218    HE1  HIS  10           HE1      HIS  10   2.063  -1.468 -20.195
  219    HB2  HIS  10           HB2      HIS  10   1.834   1.959 -16.042
  220    HB3  HIS  10           HB3      HIS  10   2.678   0.461 -15.649
  221    H    LEU  11           H        LEU  11  -0.323   2.095 -13.829
  222    HA   LEU  11           HA       LEU  11   0.743   0.877 -11.385
  223    HG   LEU  11           HG       LEU  11  -1.626   2.215  -9.580
  224    HB2  LEU  11           HB2      LEU  11   0.446   3.289 -11.533
  225    HB3  LEU  11           HB3      LEU  11  -1.281   3.111 -11.835
  226   HD11  LEU  11          HD11      LEU  11   1.340   2.721  -9.108
  227   HD12  LEU  11          HD12      LEU  11   0.569   1.120  -9.150
  228   HD13  LEU  11          HD13      LEU  11   0.157   2.267  -7.873
  229   HD21  LEU  11          HD21      LEU  11  -0.023   4.801  -9.577
  230   HD22  LEU  11          HD22      LEU  11  -1.217   4.286  -8.356
  231   HD23  LEU  11          HD23      LEU  11  -1.732   4.650 -10.012
  232    H    VAL  12           H        VAL  12  -2.519   1.068 -12.886
  233    HA   VAL  12           HA       VAL  12  -3.875  -0.601 -11.031
  234    HB   VAL  12           HB       VAL  12  -4.323  -0.287 -14.031
  235   HG11  VAL  12          HG11      VAL  12  -5.391  -2.415 -13.378
  236   HG12  VAL  12          HG12      VAL  12  -6.153  -1.612 -11.986
  237   HG13  VAL  12          HG13      VAL  12  -6.616  -1.175 -13.636
  238   HG21  VAL  12          HG21      VAL  12  -4.670   1.771 -12.694
  239   HG22  VAL  12          HG22      VAL  12  -6.192   1.159 -13.342
  240   HG23  VAL  12          HG23      VAL  12  -5.790   0.892 -11.632
  241    H    GLU  13           H        GLU  13  -2.013  -1.563 -13.926
  242    HA   GLU  13           HA       GLU  13  -2.219  -4.388 -13.731
  243    HB2  GLU  13           HB2      GLU  13  -1.404  -3.154 -15.670
  244    HB3  GLU  13           HB3      GLU  13  -0.033  -2.549 -14.746
  245    HG2  GLU  13           HG2      GLU  13   0.941  -4.766 -14.617
  246    HG3  GLU  13           HG3      GLU  13  -0.487  -5.475 -15.392
  247    H    ALA  14           H        ALA  14   0.293  -2.167 -12.370
  248    HA   ALA  14           HA       ALA  14   1.818  -4.181 -11.081
  249    HB1  ALA  14           HB1      ALA  14   2.637  -1.910 -11.571
  250    HB2  ALA  14           HB2      ALA  14   1.521  -1.237 -10.365
  251    HB3  ALA  14           HB3      ALA  14   2.840  -2.315  -9.854
  252    H    LEU  15           H        LEU  15  -0.931  -2.244  -9.729
  253    HA   LEU  15           HA       LEU  15  -0.939  -3.337  -7.095
  254    HG   LEU  15           HG       LEU  15  -3.777  -0.903  -7.020
  255    HB2  LEU  15           HB2      LEU  15  -3.071  -2.242  -8.960
  256    HB3  LEU  15           HB3      LEU  15  -3.565  -3.146  -7.555
  257   HD11  LEU  15          HD11      LEU  15  -2.861  -2.395  -5.223
  258   HD12  LEU  15          HD12      LEU  15  -2.486  -0.677  -5.003
  259   HD13  LEU  15          HD13      LEU  15  -1.244  -1.782  -5.592
  260   HD21  LEU  15          HD21      LEU  15  -2.350   0.180  -8.604
  261   HD22  LEU  15          HD22      LEU  15  -0.882  -0.463  -7.821
  262   HD23  LEU  15          HD23      LEU  15  -1.908   0.729  -6.985
  263    H    TYR  16           H        TYR  16  -2.714  -4.558  -9.970
  264    HA   TYR  16           HA       TYR  16  -3.639  -6.924  -8.724
  265    HD1  TYR  16           HD2      TYR  16  -5.767  -7.973  -9.568
  266    HD2  TYR  16           HD1      TYR  16  -2.907  -8.507 -12.758
  267    HE1  TYR  16           HE2      TYR  16  -6.638 -10.269  -9.965
  268    HE2  TYR  16           HE1      TYR  16  -3.773 -10.796 -13.155
  269    HH   TYR  16           HH       TYR  16  -5.284 -12.417 -12.516
  270    HB2  TYR  16           HB2      TYR  16  -4.545  -5.991 -10.811
  271    HB3  TYR  16           HB3      TYR  16  -3.062  -6.402 -11.661
  272    H    LEU  17           H        LEU  17  -0.539  -6.373 -10.408
  273    HA   LEU  17           HA       LEU  17   0.300  -9.156 -10.216
  274    HG   LEU  17           HG       LEU  17   0.272  -7.387 -12.629
  275    HB2  LEU  17           HB2      LEU  17   1.792  -6.561 -10.771
  276    HB3  LEU  17           HB3      LEU  17   2.578  -8.133 -10.783
  277   HD11  LEU  17          HD11      LEU  17   3.273  -7.542 -13.168
  278   HD12  LEU  17          HD12      LEU  17   2.316  -6.055 -13.063
  279   HD13  LEU  17          HD13      LEU  17   2.002  -7.210 -14.369
  280   HD21  LEU  17          HD21      LEU  17   2.126  -9.807 -12.582
  281   HD22  LEU  17          HD22      LEU  17   1.002  -9.409 -13.901
  282   HD23  LEU  17          HD23      LEU  17   0.371  -9.804 -12.301
  283    H    VAL  18           H        VAL  18   0.791  -6.376  -8.096
  284    HA   VAL  18           HA       VAL  18   2.617  -7.769  -6.294
  285    HB   VAL  18           HB       VAL  18   0.911  -5.275  -5.972
  286   HG11  VAL  18          HG11      VAL  18   2.883  -6.410  -3.933
  287   HG12  VAL  18          HG12      VAL  18   2.159  -4.788  -3.890
  288   HG13  VAL  18          HG13      VAL  18   1.137  -6.212  -3.694
  289   HG21  VAL  18          HG21      VAL  18   3.938  -5.678  -6.088
  290   HG22  VAL  18          HG22      VAL  18   2.953  -5.154  -7.455
  291   HG23  VAL  18          HG23      VAL  18   3.077  -4.126  -6.020
  292    H    CYS  19           H        CYS  19  -0.915  -7.254  -6.342
  293    HA   CYS  19           HA       CYS  19  -1.170  -8.652  -3.749
  294    HB2  CYS  19           HB2      CYS  19  -3.138  -6.998  -5.352
  295    HB3  CYS  19           HB3      CYS  19  -3.377  -7.612  -3.710
  296    H    GLY  20           H        GLY  20  -1.996  -9.326  -7.096
  297    HA2  GLY  20           HA2      GLY  20  -2.944 -11.196  -8.086
  298    HA3  GLY  20           HA3      GLY  20  -2.724 -12.050  -6.550
  299    H    GLU  21           H        GLU  21  -4.619 -13.095  -6.447
  300    HA   GLU  21           HA       GLU  21  -7.183 -12.087  -7.086
  301    HB2  GLU  21           HB2      GLU  21  -6.387 -14.417  -5.280
  302    HB3  GLU  21           HB3      GLU  21  -7.995 -14.102  -5.910
  303    HG2  GLU  21           HG2      GLU  21  -7.179 -15.751  -7.306
  304    HG3  GLU  21           HG3      GLU  21  -7.070 -14.272  -8.257
  305    H    ARG  22           H        ARG  22  -5.332 -11.328  -4.281
  306    HA   ARG  22           HA       ARG  22  -7.361 -11.089  -2.290
  307    HE   ARG  22           HE       ARG  22  -2.439 -10.873  -2.377
  308    HB2  ARG  22           HB2      ARG  22  -4.760  -9.549  -2.709
  309    HB3  ARG  22           HB3      ARG  22  -5.764  -9.417  -1.266
  310    HG2  ARG  22           HG2      ARG  22  -5.526 -11.833  -0.829
  311    HG3  ARG  22           HG3      ARG  22  -4.476 -12.016  -2.236
  312    HD2  ARG  22           HD2      ARG  22  -3.864 -10.109   0.052
  313    HD3  ARG  22           HD3      ARG  22  -3.347 -11.802   0.047
  314   HH11  ARG  22          HH11      ARG  22  -1.950  -9.563   0.908
  315   HH12  ARG  22          HH12      ARG  22  -0.274  -9.169   0.535
  316   HH21  ARG  22          HH21      ARG  22  -0.181 -10.372  -2.615
  317   HH22  ARG  22          HH22      ARG  22   0.605  -9.507  -1.299
  318    H    GLY  23           H        GLY  23  -6.588  -8.974  -5.012
  319    HA2  GLY  23           HA2      GLY  23  -7.853  -7.234  -5.917
  320    HA3  GLY  23           HA3      GLY  23  -8.975  -7.315  -4.542
  321    H    PHE  24           H        PHE  24  -8.182  -4.935  -5.629
  322    HA   PHE  24           HA       PHE  24  -6.458  -3.634  -3.576
  323    HD1  PHE  24           HD1      PHE  24  -5.995  -5.568  -7.330
  324    HD2  PHE  24           HD2      PHE  24  -6.361  -1.272  -7.120
  325    HE1  PHE  24           HE1      PHE  24  -6.686  -5.502  -9.711
  326    HE2  PHE  24           HE2      PHE  24  -7.028  -1.219  -9.507
  327    HZ   PHE  24           HZ       PHE  24  -7.211  -3.334 -10.798
  328    HB2  PHE  24           HB2      PHE  24  -5.190  -2.555  -5.350
  329    HB3  PHE  24           HB3      PHE  24  -5.034  -4.297  -5.457
  330    H    PHE  25           H        PHE  25  -6.541  -1.423  -3.481
  331    HA   PHE  25           HA       PHE  25  -8.925  -0.026  -4.611
  332    HD1  PHE  25           HD2      PHE  25 -10.909   0.554  -3.028
  333    HD2  PHE  25           HD1      PHE  25  -7.850  -1.289  -0.606
  334    HE1  PHE  25           HE2      PHE  25 -12.646  -0.742  -1.815
  335    HE2  PHE  25           HE1      PHE  25  -9.586  -2.582   0.604
  336    HZ   PHE  25           HZ       PHE  25 -11.986  -2.312   0.005
  337    HB2  PHE  25           HB2      PHE  25  -7.258   0.459  -2.108
  338    HB3  PHE  25           HB3      PHE  25  -8.511   1.554  -2.688
  339    H    TYR  26           H        TYR  26  -8.587   2.203  -5.212
  340    HA   TYR  26           HA       TYR  26  -5.907   3.049  -6.136
  341    HD1  TYR  26           HD1      TYR  26  -8.165   4.256  -9.349
  342    HD2  TYR  26           HD2      TYR  26  -4.566   1.958  -8.747
  343    HE1  TYR  26           HE1      TYR  26  -7.121   5.401 -11.287
  344    HE2  TYR  26           HE2      TYR  26  -3.521   3.102 -10.699
  345    HH   TYR  26           HH       TYR  26  -5.247   5.610 -12.593
  346    HB2  TYR  26           HB2      TYR  26  -6.672   1.298  -7.725
  347    HB3  TYR  26           HB3      TYR  26  -8.158   2.179  -7.999
  348    H    THR  27           H        THR  27  -5.817   5.243  -6.105
  349    HA   THR  27           HA       THR  27  -8.019   7.033  -6.644
  350    HB   THR  27           HB       THR  27  -8.815   6.164  -4.522
  351    HG1  THR  27           HG1      THR  27  -9.093   8.169  -3.560
  352   HG21  THR  27          HG21      THR  27  -7.661   6.582  -2.413
  353   HG22  THR  27          HG22      THR  27  -6.275   7.292  -3.271
  354   HG23  THR  27          HG23      THR  27  -6.652   5.565  -3.456
  355    HA   PRO  28           HA       PRO  28  -4.411   9.825  -6.696
  356    HB2  PRO  28           HB2      PRO  28  -5.536  12.059  -7.685
  357    HB3  PRO  28           HB3      PRO  28  -5.501  10.561  -8.642
  358    HG2  PRO  28           HG2      PRO  28  -7.800  11.577  -6.929
  359    HG3  PRO  28           HG3      PRO  28  -7.839  11.083  -8.653
  360    HD2  PRO  28           HD2      PRO  28  -8.474   9.376  -6.608
  361    HD3  PRO  28           HD3      PRO  28  -7.701   8.815  -8.114
  362    H    LYS  29           H        LYS  29  -5.589  12.714  -6.004
  363    HA   LYS  29           HA       LYS  29  -4.430  12.800  -3.447
  364    HB2  LYS  29           HB2      LYS  29  -4.579  14.646  -5.062
  365    HB3  LYS  29           HB3      LYS  29  -6.328  14.759  -4.796
  366    HG2  LYS  29           HG2      LYS  29  -5.947  15.385  -2.433
  367    HG3  LYS  29           HG3      LYS  29  -4.219  15.109  -2.613
  368    HD2  LYS  29           HD2      LYS  29  -4.697  17.502  -2.662
  369    HD3  LYS  29           HD3      LYS  29  -4.035  16.962  -4.199
  370    HE2  LYS  29           HE2      LYS  29  -5.808  18.525  -4.650
  371    HE3  LYS  29           HE3      LYS  29  -6.328  16.931  -5.183
  372    HZ1  LYS  29           HZ1      LYS  29  -8.068  18.104  -3.943
  373    HZ2  LYS  29           HZ2      LYS  29  -7.122  18.219  -2.621
  374    HZ3  LYS  29           HZ3      LYS  29  -7.647  16.755  -3.133
  375    H    THR  30           H        THR  30  -5.108  12.154  -1.552
  376    HA   THR  30           HA       THR  30  -7.984  11.744  -0.899
  377    HB   THR  30           HB       THR  30  -6.965  10.419   1.041
  378    HG1  THR  30           HG1      THR  30  -4.853  11.249   0.779
  379   HG21  THR  30          HG21      THR  30  -6.568   8.432  -0.369
  380   HG22  THR  30          HG22      THR  30  -6.490   9.469  -1.812
  381   HG23  THR  30          HG23      THR  30  -7.997   9.332  -0.887
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -4.907   9.825  -2.054
    2    H2   GLY   1           H2       GLY   1  -4.250  10.059  -3.526
    3    H3   GLY   1           H3       GLY   1  -3.287  10.083  -2.199
    4    HA2  GLY   1           HA2      GLY   1  -3.708   7.736  -1.787
    5    HA3  GLY   1           HA3      GLY   1  -4.772   7.745  -3.212
    6    H    ILE   2           H        ILE   2  -3.246   5.925  -3.778
    7    HA   ILE   2           HA       ILE   2  -0.490   6.373  -4.370
    8    HB   ILE   2           HB       ILE   2  -0.580   4.342  -5.723
    9   HG12  ILE   2          HG12      ILE   2  -3.581   4.261  -5.177
   10   HG13  ILE   2          HG13      ILE   2  -2.854   4.635  -6.729
   11   HG21  ILE   2          HG21      ILE   2  -2.089   4.019  -3.107
   12   HG22  ILE   2          HG22      ILE   2  -1.041   2.821  -3.891
   13   HG23  ILE   2          HG23      ILE   2  -0.344   4.309  -3.240
   14   HD11  ILE   2          HD11      ILE   2  -1.754   2.356  -6.702
   15   HD12  ILE   2          HD12      ILE   2  -2.740   1.981  -5.267
   16   HD13  ILE   2          HD13      ILE   2  -3.517   2.374  -6.807
   17    H    VAL   3           H        VAL   3  -3.313   7.085  -6.382
   18    HA   VAL   3           HA       VAL   3  -1.907   7.418  -8.836
   19    HB   VAL   3           HB       VAL   3  -4.417   8.737  -7.763
   20   HG11  VAL   3          HG11      VAL   3  -3.639  10.290  -9.468
   21   HG12  VAL   3          HG12      VAL   3  -3.344   8.956 -10.607
   22   HG13  VAL   3          HG13      VAL   3  -4.997   9.365 -10.101
   23   HG21  VAL   3          HG21      VAL   3  -4.506   6.275  -8.188
   24   HG22  VAL   3          HG22      VAL   3  -5.540   7.163  -9.312
   25   HG23  VAL   3          HG23      VAL   3  -3.956   6.564  -9.851
   26    H    GLU   4           H        GLU   4  -2.097   9.616  -6.064
   27    HA   GLU   4           HA       GLU   4  -0.468  11.668  -7.473
   28    HB2  GLU   4           HB2      GLU   4  -1.559  11.444  -4.642
   29    HB3  GLU   4           HB3      GLU   4  -0.403  12.690  -5.126
   30    HG2  GLU   4           HG2      GLU   4  -3.090  12.277  -6.489
   31    HG3  GLU   4           HG3      GLU   4  -2.832  13.396  -5.156
   32    H    GLN   5           H        GLN   5  -0.114   9.441  -4.645
   33    HA   GLN   5           HA       GLN   5   2.490  10.270  -4.088
   34    HB2  GLN   5           HB2      GLN   5   0.781   8.926  -2.687
   35    HB3  GLN   5           HB3      GLN   5   1.464   7.479  -3.411
   36    HG2  GLN   5           HG2      GLN   5   3.189   9.550  -1.967
   37    HG3  GLN   5           HG3      GLN   5   2.290   8.338  -1.084
   38   HE21  GLN   5          HE21      GLN   5   5.225   8.899  -2.887
   39   HE22  GLN   5          HE22      GLN   5   5.835   7.274  -2.751
   40    H    CYS   6           H        CYS   6   1.541   7.424  -6.129
   41    HA   CYS   6           HA       CYS   6   4.331   6.610  -6.477
   42    HB2  CYS   6           HB2      CYS   6   1.695   5.814  -7.774
   43    HB3  CYS   6           HB3      CYS   6   3.238   5.111  -8.193
   44    H    CYS   7           H        CYS   7   2.261   8.830  -8.124
   45    HA   CYS   7           HA       CYS   7   3.882   8.680 -10.616
   46    HB2  CYS   7           HB2      CYS   7   1.356   8.518 -10.558
   47    HB3  CYS   7           HB3      CYS   7   1.331  10.228 -10.122
   48    H    THR   8           H        THR   8   3.131  10.985  -8.016
   49    HA   THR   8           HA       THR   8   4.850  13.086  -9.240
   50    HB   THR   8           HB       THR   8   4.053  14.559  -7.522
   51    HG1  THR   8           HG1      THR   8   2.587  12.330  -6.537
   52   HG21  THR   8          HG21      THR   8   1.689  12.993  -8.646
   53   HG22  THR   8          HG22      THR   8   2.615  14.242  -9.509
   54   HG23  THR   8          HG23      THR   8   1.689  14.668  -8.059
   55    H    SER   9           H        SER   9   5.167  10.535  -6.976
   56    HA   SER   9           HA       SER   9   7.921  11.380  -6.401
   57    HG   SER   9           HG       SER   9   5.212  10.125  -4.600
   58    HB2  SER   9           HB2      SER   9   7.778  11.086  -4.029
   59    HB3  SER   9           HB3      SER   9   6.588  12.285  -4.517
   60    H    ILE  10           H        ILE  10   8.736   9.294  -4.803
   61    HA   ILE  10           HA       ILE  10   8.340   6.968  -6.626
   62    HB   ILE  10           HB       ILE  10  10.628   7.866  -6.194
   63   HG12  ILE  10          HG12      ILE  10  10.227   4.979  -5.323
   64   HG13  ILE  10          HG13      ILE  10  10.143   5.573  -6.983
   65   HG21  ILE  10          HG21      ILE  10  11.790   7.489  -4.110
   66   HG22  ILE  10          HG22      ILE  10  10.318   8.383  -3.737
   67   HG23  ILE  10          HG23      ILE  10  10.398   6.640  -3.412
   68   HD11  ILE  10          HD11      ILE  10  12.500   6.354  -6.845
   69   HD12  ILE  10          HD12      ILE  10  12.615   5.643  -5.217
   70   HD13  ILE  10          HD13      ILE  10  12.315   4.606  -6.624
   71    H    CYS  11           H        CYS  11   7.455   5.031  -5.964
   72    HA   CYS  11           HA       CYS  11   6.698   4.779  -3.086
   73    HB2  CYS  11           HB2      CYS  11   4.484   4.236  -3.532
   74    HB3  CYS  11           HB3      CYS  11   4.794   5.647  -4.514
   75    H    SER  12           H        SER  12   6.092   2.661  -2.427
   76    HA   SER  12           HA       SER  12   7.857   0.586  -3.677
   77    HG   SER  12           HG       SER  12   9.060   1.413  -0.396
   78    HB2  SER  12           HB2      SER  12   6.864   0.842  -0.810
   79    HB3  SER  12           HB3      SER  12   7.995  -0.371  -1.434
   80    H    LEU  13           H        LEU  13   7.132  -1.673  -3.475
   81    HA   LEU  13           HA       LEU  13   4.410  -2.190  -4.230
   82    HG   LEU  13           HG       LEU  13   7.626  -3.274  -4.840
   83    HB2  LEU  13           HB2      LEU  13   6.425  -4.075  -2.930
   84    HB3  LEU  13           HB3      LEU  13   5.019  -4.511  -3.867
   85   HD11  LEU  13          HD11      LEU  13   6.167  -5.855  -5.533
   86   HD12  LEU  13          HD12      LEU  13   7.626  -5.691  -4.530
   87   HD13  LEU  13          HD13      LEU  13   7.685  -5.310  -6.259
   88   HD21  LEU  13          HD21      LEU  13   5.871  -2.102  -6.119
   89   HD22  LEU  13          HD22      LEU  13   5.152  -3.672  -6.568
   90   HD23  LEU  13          HD23      LEU  13   6.768  -3.228  -7.135
   91    H    TYR  14           H        TYR  14   6.027  -2.147  -1.072
   92    HA   TYR  14           HA       TYR  14   3.856  -2.989   0.525
   93    HD1  TYR  14           HD2      TYR  14   4.556  -3.782   3.040
   94    HD2  TYR  14           HD1      TYR  14   5.241   0.468   2.789
   95    HE1  TYR  14           HE2      TYR  14   3.660  -3.498   5.357
   96    HE2  TYR  14           HE1      TYR  14   4.356   0.756   5.091
   97    HH   TYR  14           HH       TYR  14   3.464  -0.286   6.943
   98    HB2  TYR  14           HB2      TYR  14   6.158  -2.708   1.333
   99    HB3  TYR  14           HB3      TYR  14   6.068  -0.976   1.074
  100    H    GLN  15           H        GLN  15   4.364   0.145  -1.023
  101    HA   GLN  15           HA       GLN  15   2.179   1.488   0.451
  102    HB2  GLN  15           HB2      GLN  15   3.758   2.301  -2.045
  103    HB3  GLN  15           HB3      GLN  15   2.510   3.279  -1.318
  104    HG2  GLN  15           HG2      GLN  15   4.978   2.415   0.255
  105    HG3  GLN  15           HG3      GLN  15   4.929   3.868  -0.743
  106   HE21  GLN  15          HE21      GLN  15   3.411   5.602  -0.205
  107   HE22  GLN  15          HE22      GLN  15   2.811   5.718   1.452
  108    H    LEU  16           H        LEU  16   2.619  -0.185  -2.682
  109    HA   LEU  16           HA       LEU  16  -0.107   0.261  -3.573
  110    HG   LEU  16           HG       LEU  16   2.765   0.178  -4.926
  111    HB2  LEU  16           HB2      LEU  16   1.851  -2.010  -4.180
  112    HB3  LEU  16           HB3      LEU  16   0.367  -1.702  -5.055
  113   HD11  LEU  16          HD11      LEU  16   3.032  -0.425  -7.316
  114   HD12  LEU  16          HD12      LEU  16   1.708  -1.603  -7.153
  115   HD13  LEU  16          HD13      LEU  16   3.221  -1.823  -6.252
  116   HD21  LEU  16          HD21      LEU  16   0.708   1.491  -5.205
  117   HD22  LEU  16          HD22      LEU  16   0.183   0.424  -6.524
  118   HD23  LEU  16          HD23      LEU  16   1.629   1.445  -6.706
  119    H    GLU  17           H        GLU  17   1.407  -2.320  -1.666
  120    HA   GLU  17           HA       GLU  17  -0.901  -3.972  -1.421
  121    HB2  GLU  17           HB2      GLU  17   1.504  -4.638  -1.126
  122    HB3  GLU  17           HB3      GLU  17   1.517  -3.790   0.423
  123    HG2  GLU  17           HG2      GLU  17  -0.197  -5.350   1.287
  124    HG3  GLU  17           HG3      GLU  17  -0.340  -6.098  -0.314
  125    H    ASN  18           H        ASN  18   0.129  -1.174   0.492
  126    HA   ASN  18           HA       ASN  18  -1.193  -1.505   2.899
  127    HB2  ASN  18           HB2      ASN  18   0.333   0.332   2.356
  128    HB3  ASN  18           HB3      ASN  18  -0.821   0.995   1.201
  129   HD21  ASN  18          HD21      ASN  18  -2.440   2.405   1.946
  130   HD22  ASN  18          HD22      ASN  18  -2.656   2.772   3.647
  131    H    TYR  19           H        TYR  19  -2.691  -0.655  -0.202
  132    HA   TYR  19           HA       TYR  19  -5.313  -0.074   1.046
  133    HD1  TYR  19           HD2      TYR  19  -5.969   2.439   0.666
  134    HD2  TYR  19           HD1      TYR  19  -2.346   1.627  -1.511
  135    HE1  TYR  19           HE2      TYR  19  -5.023   4.599   1.452
  136    HE2  TYR  19           HE1      TYR  19  -1.383   3.773  -0.714
  137    HH   TYR  19           HH       TYR  19  -3.207   6.023   1.416
  138    HB2  TYR  19           HB2      TYR  19  -4.260   0.184  -1.795
  139    HB3  TYR  19           HB3      TYR  19  -5.842   0.704  -1.232
  140    H    CYS  20           H        CYS  20  -3.846  -2.879   0.110
  141    HA   CYS  20           HA       CYS  20  -6.200  -4.121  -1.198
  142    HB2  CYS  20           HB2      CYS  20  -3.388  -5.094  -0.624
  143    HB3  CYS  20           HB3      CYS  20  -4.633  -6.083  -1.379
  144    H    ASN  21           H        ASN  21  -6.803  -6.312  -0.571
  145    HA   ASN  21           HA       ASN  21  -6.902  -6.929   2.330
  146    HB2  ASN  21           HB2      ASN  21  -8.758  -5.361   1.935
  147    HB3  ASN  21           HB3      ASN  21  -9.310  -6.310   0.557
  148   HD21  ASN  21          HD21      ASN  21  -9.762  -8.699   1.142
  149   HD22  ASN  21          HD22      ASN  21 -10.747  -8.914   2.600
  150    HA   PHE   1           HA       PHE   1  12.096  -5.890  -7.848
  151    HD1  PHE   1           HD1      PHE   1   9.935  -6.679  -9.031
  152    HD2  PHE   1           HD2      PHE   1   9.675  -8.420  -5.089
  153    HE1  PHE   1           HE1      PHE   1   8.922  -8.727  -9.999
  154    HE2  PHE   1           HE2      PHE   1   8.662 -10.468  -6.063
  155    HZ   PHE   1           HZ       PHE   1   8.290 -10.624  -8.520
  156    H1   PHE   1           H1       PHE   1  13.795  -7.022  -6.612
  157    H2   PHE   1           H2       PHE   1  12.481  -7.990  -6.779
  158    H3   PHE   1           H3       PHE   1  12.796  -7.258  -5.343
  159    HB2  PHE   1           HB2      PHE   1  10.425  -6.184  -5.320
  160    HB3  PHE   1           HB3      PHE   1   9.963  -5.306  -6.767
  161    H    VAL   2           H        VAL   2  11.191  -3.537  -7.105
  162    HA   VAL   2           HA       VAL   2  12.800  -2.241  -5.053
  163    HB   VAL   2           HB       VAL   2  14.423  -2.588  -6.928
  164   HG11  VAL   2          HG11      VAL   2  14.309  -1.261  -8.964
  165   HG12  VAL   2          HG12      VAL   2  12.892  -2.314  -8.855
  166   HG13  VAL   2          HG13      VAL   2  12.740  -0.586  -8.487
  167   HG21  VAL   2          HG21      VAL   2  15.445  -0.434  -6.828
  168   HG22  VAL   2          HG22      VAL   2  13.919   0.358  -6.428
  169   HG23  VAL   2          HG23      VAL   2  14.680  -0.741  -5.259
  170    H    ASN   3           H        ASN   3  12.318   0.058  -4.848
  171    HA   ASN   3           HA       ASN   3   9.547   0.721  -5.427
  172    HB2  ASN   3           HB2      ASN   3   9.966   2.733  -4.153
  173    HB3  ASN   3           HB3      ASN   3  10.546   1.325  -3.295
  174   HD21  ASN   3          HD21      ASN   3  11.324   3.890  -2.544
  175   HD22  ASN   3          HD22      ASN   3  13.025   4.098  -2.929
  176    H    GLN   4           H        GLN   4   8.786   2.514  -6.620
  177    HA   GLN   4           HA       GLN   4  10.434   3.226  -9.007
  178    HB2  GLN   4           HB2      GLN   4   8.021   1.358  -8.865
  179    HB3  GLN   4           HB3      GLN   4   8.438   2.199 -10.352
  180    HG2  GLN   4           HG2      GLN   4  10.591   1.122 -10.505
  181    HG3  GLN   4           HG3      GLN   4  10.398   0.373  -8.924
  182   HE21  GLN   4          HE21      GLN   4   8.987  -1.449  -8.663
  183   HE22  GLN   4          HE22      GLN   4   8.323  -2.273 -10.070
  184    H    HIS   5           H        HIS   5   9.265   4.611 -10.529
  185    HA   HIS   5           HA       HIS   5   7.000   6.184  -9.391
  186    HD1  HIS   5           HD1      HIS   5   7.633   8.730  -8.823
  187    HD2  HIS   5           HD2      HIS   5  10.894   7.707 -11.283
  188    HE1  HIS   5           HE1      HIS   5   9.567  10.218  -8.106
  189    HB2  HIS   5           HB2      HIS   5   8.659   6.560 -11.919
  190    HB3  HIS   5           HB3      HIS   5   7.252   7.522 -11.479
  191    H    LEU   6           H        LEU   6   4.979   5.788 -10.108
  192    HA   LEU   6           HA       LEU   6   4.453   4.002 -12.424
  193    HG   LEU   6           HG       LEU   6   5.857   2.490 -10.146
  194    HB2  LEU   6           HB2      LEU   6   3.625   3.507  -9.533
  195    HB3  LEU   6           HB3      LEU   6   2.904   2.676 -10.905
  196   HD11  LEU   6          HD11      LEU   6   3.544   0.617  -9.529
  197   HD12  LEU   6          HD12      LEU   6   4.459   1.588  -8.359
  198   HD13  LEU   6          HD13      LEU   6   5.261   0.277  -9.234
  199   HD21  LEU   6          HD21      LEU   6   5.829   0.489 -11.619
  200   HD22  LEU   6          HD22      LEU   6   5.409   1.942 -12.535
  201   HD23  LEU   6          HD23      LEU   6   4.131   0.812 -12.039
  202    H    CYS   7           H        CYS   7   2.638   4.606 -13.496
  203    HA   CYS   7           HA       CYS   7   0.688   6.487 -12.266
  204    HB2  CYS   7           HB2      CYS   7   2.103   6.857 -14.932
  205    HB3  CYS   7           HB3      CYS   7   0.845   7.902 -14.294
  206    H    GLY   8           H        GLY   8  -1.342   6.444 -13.254
  207    HA2  GLY   8           HA2      GLY   8  -3.147   5.728 -14.520
  208    HA3  GLY   8           HA3      GLY   8  -1.962   5.627 -15.816
  209    H    SER   9           H        SER   9  -2.437   3.837 -16.901
  210    HA   SER   9           HA       SER   9  -3.650   1.468 -15.861
  211    HG   SER   9           HG       SER   9  -3.396   0.090 -19.074
  212    HB2  SER   9           HB2      SER   9  -3.588   2.234 -18.258
  213    HB3  SER   9           HB3      SER   9  -1.898   1.708 -18.332
  214    H    HIS  10           H        HIS  10  -0.157   2.266 -16.304
  215    HA   HIS  10           HA       HIS  10   0.764  -0.372 -15.569
  216    HD1  HIS  10           HD1      HIS  10   1.332  -0.723 -17.783
  217    HD2  HIS  10           HD2      HIS  10   3.260   3.032 -17.816
  218    HE1  HIS  10           HE1      HIS  10   1.892  -0.224 -20.215
  219    HB2  HIS  10           HB2      HIS  10   2.158   2.328 -15.510
  220    HB3  HIS  10           HB3      HIS  10   2.954   0.757 -15.346
  221    H    LEU  11           H        LEU  11  -0.121   2.456 -13.617
  222    HA   LEU  11           HA       LEU  11   0.800   1.319 -11.107
  223    HG   LEU  11           HG       LEU  11  -1.492   2.656  -9.369
  224    HB2  LEU  11           HB2      LEU  11   0.427   3.730 -11.473
  225    HB3  LEU  11           HB3      LEU  11  -1.282   3.457 -11.728
  226   HD11  LEU  11          HD11      LEU  11   0.312   3.147  -7.777
  227   HD12  LEU  11          HD12      LEU  11   1.378   3.608  -9.115
  228   HD13  LEU  11          HD13      LEU  11   0.826   1.922  -8.954
  229   HD21  LEU  11          HD21      LEU  11  -0.267   5.431  -9.738
  230   HD22  LEU  11          HD22      LEU  11  -1.273   4.904  -8.377
  231   HD23  LEU  11          HD23      LEU  11  -1.972   5.000 -10.003
  232    H    VAL  12           H        VAL  12  -2.309   1.236 -12.883
  233    HA   VAL  12           HA       VAL  12  -3.735  -0.356 -10.960
  234    HB   VAL  12           HB       VAL  12  -4.120  -0.310 -13.983
  235   HG11  VAL  12          HG11      VAL  12  -5.138  -2.355 -13.107
  236   HG12  VAL  12          HG12      VAL  12  -5.931  -1.446 -11.804
  237   HG13  VAL  12          HG13      VAL  12  -6.406  -1.199 -13.500
  238   HG21  VAL  12          HG21      VAL  12  -4.538   1.888 -12.909
  239   HG22  VAL  12          HG22      VAL  12  -6.015   1.162 -13.547
  240   HG23  VAL  12          HG23      VAL  12  -5.698   1.110 -11.803
  241    H    GLU  13           H        GLU  13  -1.699  -1.351 -13.761
  242    HA   GLU  13           HA       GLU  13  -1.957  -4.164 -13.438
  243    HB2  GLU  13           HB2      GLU  13   0.271  -2.409 -14.566
  244    HB3  GLU  13           HB3      GLU  13   0.313  -4.168 -14.601
  245    HG2  GLU  13           HG2      GLU  13  -1.753  -4.247 -15.920
  246    HG3  GLU  13           HG3      GLU  13  -1.856  -2.493 -15.915
  247    H    ALA  14           H        ALA  14   0.530  -1.903 -12.066
  248    HA   ALA  14           HA       ALA  14   2.040  -3.919 -10.730
  249    HB1  ALA  14           HB1      ALA  14   2.855  -1.641 -11.208
  250    HB2  ALA  14           HB2      ALA  14   1.669  -0.956 -10.076
  251    HB3  ALA  14           HB3      ALA  14   2.978  -2.000  -9.479
  252    H    LEU  15           H        LEU  15  -0.616  -1.841  -9.483
  253    HA   LEU  15           HA       LEU  15  -0.749  -2.841  -6.835
  254    HG   LEU  15           HG       LEU  15  -3.915  -2.844  -6.745
  255    HB2  LEU  15           HB2      LEU  15  -1.871  -0.795  -7.698
  256    HB3  LEU  15           HB3      LEU  15  -2.883  -1.784  -8.744
  257   HD11  LEU  15          HD11      LEU  15  -3.636  -1.696  -4.531
  258   HD12  LEU  15          HD12      LEU  15  -2.287  -0.763  -5.215
  259   HD13  LEU  15          HD13      LEU  15  -2.166  -2.531  -5.060
  260   HD21  LEU  15          HD21      LEU  15  -4.972  -0.928  -7.890
  261   HD22  LEU  15          HD22      LEU  15  -4.066   0.195  -6.854
  262   HD23  LEU  15          HD23      LEU  15  -5.283  -0.877  -6.142
  263    H    TYR  16           H        TYR  16  -2.611  -3.964  -9.706
  264    HA   TYR  16           HA       TYR  16  -3.893  -6.170  -8.454
  265    HD1  TYR  16           HD1      TYR  16  -5.514  -7.852  -9.570
  266    HD2  TYR  16           HD2      TYR  16  -2.663  -7.265 -12.757
  267    HE1  TYR  16           HE1      TYR  16  -5.958 -10.156 -10.383
  268    HE2  TYR  16           HE2      TYR  16  -3.092  -9.578 -13.566
  269    HH   TYR  16           HH       TYR  16  -5.449 -11.761 -11.957
  270    HB2  TYR  16           HB2      TYR  16  -4.685  -5.420 -10.565
  271    HB3  TYR  16           HB3      TYR  16  -3.089  -5.511 -11.295
  272    H    LEU  17           H        LEU  17  -0.700  -6.035 -10.063
  273    HA   LEU  17           HA       LEU  17  -0.215  -8.882  -9.760
  274    HG   LEU  17           HG       LEU  17  -0.184  -7.305 -12.241
  275    HB2  LEU  17           HB2      LEU  17   1.550  -6.523 -10.524
  276    HB3  LEU  17           HB3      LEU  17   2.152  -8.173 -10.473
  277   HD11  LEU  17          HD11      LEU  17   1.449  -7.356 -14.087
  278   HD12  LEU  17          HD12      LEU  17   2.762  -7.714 -12.938
  279   HD13  LEU  17          HD13      LEU  17   1.913  -6.151 -12.875
  280   HD21  LEU  17          HD21      LEU  17   0.281  -9.417 -13.438
  281   HD22  LEU  17          HD22      LEU  17  -0.229  -9.717 -11.780
  282   HD23  LEU  17          HD23      LEU  17   1.492  -9.851 -12.209
  283    H    VAL  18           H        VAL  18   0.683  -6.096  -7.795
  284    HA   VAL  18           HA       VAL  18   2.343  -7.559  -5.927
  285    HB   VAL  18           HB       VAL  18   0.756  -4.978  -5.707
  286   HG11  VAL  18          HG11      VAL  18   2.487  -6.188  -3.503
  287   HG12  VAL  18          HG12      VAL  18   1.856  -4.527  -3.543
  288   HG13  VAL  18          HG13      VAL  18   0.742  -5.883  -3.406
  289   HG21  VAL  18          HG21      VAL  18   2.885  -4.981  -7.036
  290   HG22  VAL  18          HG22      VAL  18   3.009  -3.993  -5.564
  291   HG23  VAL  18          HG23      VAL  18   3.737  -5.604  -5.619
  292    H    CYS  19           H        CYS  19  -1.157  -6.772  -5.934
  293    HA   CYS  19           HA       CYS  19  -1.517  -8.209  -3.411
  294    HB2  CYS  19           HB2      CYS  19  -3.510  -6.782  -5.175
  295    HB3  CYS  19           HB3      CYS  19  -3.827  -7.421  -3.547
  296    H    GLY  20           H        GLY  20  -2.059  -9.058  -6.785
  297    HA2  GLY  20           HA2      GLY  20  -2.247 -11.147  -7.737
  298    HA3  GLY  20           HA3      GLY  20  -1.883 -11.835  -6.144
  299    H    GLU  21           H        GLU  21  -3.392 -13.138  -5.406
  300    HA   GLU  21           HA       GLU  21  -6.083 -13.309  -6.465
  301    HB2  GLU  21           HB2      GLU  21  -6.376 -15.102  -4.895
  302    HB3  GLU  21           HB3      GLU  21  -4.824 -15.259  -5.706
  303    HG2  GLU  21           HG2      GLU  21  -3.686 -14.316  -3.679
  304    HG3  GLU  21           HG3      GLU  21  -5.253 -14.225  -2.869
  305    H    ARG  22           H        ARG  22  -4.685 -11.417  -3.927
  306    HA   ARG  22           HA       ARG  22  -7.053 -11.060  -2.279
  307    HE   ARG  22           HE       ARG  22  -2.302 -10.426  -2.020
  308    HB2  ARG  22           HB2      ARG  22  -4.517  -9.402  -2.502
  309    HB3  ARG  22           HB3      ARG  22  -5.739  -9.222  -1.263
  310    HG2  ARG  22           HG2      ARG  22  -5.344 -11.444  -0.389
  311    HG3  ARG  22           HG3      ARG  22  -4.196 -11.833  -1.677
  312    HD2  ARG  22           HD2      ARG  22  -3.794  -9.558   0.300
  313    HD3  ARG  22           HD3      ARG  22  -3.155 -11.197   0.528
  314   HH11  ARG  22          HH21      ARG  22  -1.742  -9.213   1.295
  315   HH12  ARG  22          HH22      ARG  22  -0.146  -8.623   0.835
  316   HH21  ARG  22          HH11      ARG  22  -0.115  -9.689  -2.370
  317   HH22  ARG  22          HH12      ARG  22   0.659  -8.826  -1.055
  318    H    GLY  23           H        GLY  23  -8.090  -8.959  -1.965
  319    HA2  GLY  23           HA2      GLY  23  -8.960  -7.719  -4.517
  320    HA3  GLY  23           HA3      GLY  23  -9.618  -7.405  -2.896
  321    H    PHE  24           H        PHE  24  -8.644  -5.551  -5.051
  322    HA   PHE  24           HA       PHE  24  -6.722  -3.993  -3.381
  323    HD1  PHE  24           HD1      PHE  24  -7.029  -2.173  -7.154
  324    HD2  PHE  24           HD2      PHE  24  -6.651  -6.463  -6.878
  325    HE1  PHE  24           HE1      PHE  24  -7.899  -2.395  -9.461
  326    HE2  PHE  24           HE2      PHE  24  -7.529  -6.680  -9.196
  327    HZ   PHE  24           HZ       PHE  24  -8.151  -4.651 -10.488
  328    HB2  PHE  24           HB2      PHE  24  -5.626  -3.263  -5.390
  329    HB3  PHE  24           HB3      PHE  24  -5.545  -5.005  -5.261
  330    H    PHE  25           H        PHE  25  -6.714  -1.700  -3.704
  331    HA   PHE  25           HA       PHE  25  -9.106  -0.513  -4.967
  332    HD1  PHE  25           HD1      PHE  25 -10.957   0.736  -4.653
  333    HD2  PHE  25           HD2      PHE  25  -8.851   2.064  -1.130
  334    HE1  PHE  25           HE1      PHE  25 -12.256   2.841  -4.672
  335    HE2  PHE  25           HE2      PHE  25 -10.186   4.151  -1.130
  336    HZ   PHE  25           HZ       PHE  25 -11.878   4.557  -2.906
  337    HB2  PHE  25           HB2      PHE  25  -9.672  -0.845  -2.589
  338    HB3  PHE  25           HB3      PHE  25  -8.222   0.028  -2.112
  339    H    TYR  26           H        TYR  26  -8.505   0.948  -6.305
  340    HA   TYR  26           HA       TYR  26  -5.764   2.005  -6.397
  341    HD1  TYR  26           HD2      TYR  26  -4.543   1.615  -8.931
  342    HD2  TYR  26           HD1      TYR  26  -7.945   4.218  -9.435
  343    HE1  TYR  26           HE2      TYR  26  -3.341   2.850 -10.710
  344    HE2  TYR  26           HE1      TYR  26  -6.728   5.469 -11.214
  345    HH   TYR  26           HH       TYR  26  -3.446   4.502 -12.308
  346    HB2  TYR  26           HB2      TYR  26  -6.891   0.957  -8.296
  347    HB3  TYR  26           HB3      TYR  26  -8.169   2.153  -8.244
  348    H    THR  27           H        THR  27  -5.708   3.481  -4.665
  349    HA   THR  27           HA       THR  27  -7.777   5.375  -4.222
  350    HB   THR  27           HB       THR  27  -6.233   6.424  -2.553
  351    HG1  THR  27           HG1      THR  27  -4.517   4.729  -2.083
  352   HG21  THR  27          HG21      THR  27  -6.485   4.585  -1.006
  353   HG22  THR  27          HG22      THR  27  -6.661   3.414  -2.337
  354   HG23  THR  27          HG23      THR  27  -7.901   4.655  -2.049
  355    HA   PRO  28           HA       PRO  28  -6.558   8.197  -7.388
  356    HB2  PRO  28           HB2      PRO  28  -8.759   9.679  -7.539
  357    HB3  PRO  28           HB3      PRO  28  -8.859   7.912  -7.676
  358    HG2  PRO  28           HG2      PRO  28  -9.273   9.561  -5.152
  359    HG3  PRO  28           HG3      PRO  28 -10.419   8.400  -5.895
  360    HD2  PRO  28           HD2      PRO  28  -8.675   7.638  -3.932
  361    HD3  PRO  28           HD3      PRO  28  -9.131   6.561  -5.289
  362    H    LYS  29           H        LYS  29  -7.673  10.921  -7.070
  363    HA   LYS  29           HA       LYS  29  -5.328  12.332  -6.279
  364    HB2  LYS  29           HB2      LYS  29  -8.161  12.982  -7.155
  365    HB3  LYS  29           HB3      LYS  29  -6.967  14.263  -6.909
  366    HG2  LYS  29           HG2      LYS  29  -6.582  11.955  -8.869
  367    HG3  LYS  29           HG3      LYS  29  -7.304  13.504  -9.294
  368    HD2  LYS  29           HD2      LYS  29  -5.274  14.711  -8.669
  369    HD3  LYS  29           HD3      LYS  29  -4.509  13.194  -8.144
  370    HE2  LYS  29           HE2      LYS  29  -4.624  12.290 -10.420
  371    HE3  LYS  29           HE3      LYS  29  -5.457  13.749 -10.991
  372    HZ1  LYS  29           HZ1      LYS  29  -2.997  13.737 -11.385
  373    HZ2  LYS  29           HZ2      LYS  29  -2.747  13.785  -9.757
  374    HZ3  LYS  29           HZ3      LYS  29  -3.492  15.028 -10.507
  375    H    THR  30           H        THR  30  -7.073  10.930  -4.071
  376    HA   THR  30           HA       THR  30  -8.008  12.898  -2.212
  377    HB   THR  30           HB       THR  30  -7.635  11.015  -0.528
  378    HG1  THR  30           HG1      THR  30  -7.294   8.985  -1.487
  379   HG21  THR  30          HG21      THR  30  -9.813  11.405  -1.613
  380   HG22  THR  30          HG22      THR  30  -9.499   9.672  -1.420
  381   HG23  THR  30          HG23      THR  30  -9.306  10.438  -3.012
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -2.418  11.615  -2.614
    2    H2   GLY   1           H2       GLY   1  -1.922  10.974  -1.196
    3    H3   GLY   1           H3       GLY   1  -3.448  11.557  -1.339
    4    HA2  GLY   1           HA2      GLY   1  -3.468   9.151  -1.380
    5    HA3  GLY   1           HA3      GLY   1  -4.054   9.847  -2.905
    6    H    ILE   2           H        ILE   2  -2.971   7.198  -2.592
    7    HA   ILE   2           HA       ILE   2  -0.204   7.008  -3.180
    8    HB   ILE   2           HB       ILE   2  -1.560   5.183  -2.276
    9   HG12  ILE   2          HG12      ILE   2  -0.630   3.273  -3.519
   10   HG13  ILE   2          HG13      ILE   2  -0.147   4.333  -4.835
   11   HG21  ILE   2          HG21      ILE   2  -2.937   3.738  -3.689
   12   HG22  ILE   2          HG22      ILE   2  -3.585   5.376  -3.652
   13   HG23  ILE   2          HG23      ILE   2  -2.690   4.809  -5.081
   14   HD11  ILE   2          HD11      ILE   2   0.851   4.577  -1.950
   15   HD12  ILE   2          HD12      ILE   2   1.704   3.718  -3.250
   16   HD13  ILE   2          HD13      ILE   2   1.469   5.466  -3.367
   17    H    VAL   3           H        VAL   3  -2.867   7.482  -5.439
   18    HA   VAL   3           HA       VAL   3  -1.447   6.954  -7.838
   19    HB   VAL   3           HB       VAL   3  -3.627   9.018  -7.393
   20   HG11  VAL   3          HG11      VAL   3  -2.608   7.794  -9.998
   21   HG12  VAL   3          HG12      VAL   3  -4.076   8.781  -9.838
   22   HG13  VAL   3          HG13      VAL   3  -2.502   9.504  -9.522
   23   HG21  VAL   3          HG21      VAL   3  -4.342   6.712  -6.817
   24   HG22  VAL   3          HG22      VAL   3  -5.144   7.266  -8.290
   25   HG23  VAL   3          HG23      VAL   3  -3.789   6.134  -8.401
   26    H    GLU   4           H        GLU   4  -1.555  10.045  -5.942
   27    HA   GLU   4           HA       GLU   4   0.203  11.446  -7.795
   28    HB2  GLU   4           HB2      GLU   4  -1.362  12.661  -6.359
   29    HB3  GLU   4           HB3      GLU   4  -0.548  12.044  -4.905
   30    HG2  GLU   4           HG2      GLU   4   1.507  13.257  -5.508
   31    HG3  GLU   4           HG3      GLU   4   0.797  13.744  -7.054
   32    H    GLN   5           H        GLN   5   0.664   9.683  -4.689
   33    HA   GLN   5           HA       GLN   5   3.410  10.297  -4.329
   34    HB2  GLN   5           HB2      GLN   5   1.908   9.283  -2.611
   35    HB3  GLN   5           HB3      GLN   5   1.871   7.787  -3.538
   36    HG2  GLN   5           HG2      GLN   5   3.413   7.566  -1.670
   37    HG3  GLN   5           HG3      GLN   5   4.294   7.463  -3.183
   38   HE21  GLN   5          HE21      GLN   5   6.251   8.605  -3.129
   39   HE22  GLN   5          HE22      GLN   5   6.498  10.044  -2.139
   40    H    CYS   6           H        CYS   6   1.930   7.533  -6.125
   41    HA   CYS   6           HA       CYS   6   4.491   6.466  -6.952
   42    HB2  CYS   6           HB2      CYS   6   1.631   6.068  -7.890
   43    HB3  CYS   6           HB3      CYS   6   2.996   5.151  -8.497
   44    H    CYS   7           H        CYS   7   2.334   8.826  -8.407
   45    HA   CYS   7           HA       CYS   7   3.614   8.475 -11.060
   46    HB2  CYS   7           HB2      CYS   7   1.149   8.504 -10.708
   47    HB3  CYS   7           HB3      CYS   7   1.251  10.204 -10.238
   48    H    THR   8           H        THR   8   3.130  11.147  -8.715
   49    HA   THR   8           HA       THR   8   4.763  13.024 -10.321
   50    HB   THR   8           HB       THR   8   3.338  13.380  -7.656
   51    HG1  THR   8           HG1      THR   8   1.827  14.462  -9.047
   52   HG21  THR   8          HG21      THR   8   4.483  15.419  -9.629
   53   HG22  THR   8          HG22      THR   8   5.091  15.097  -7.988
   54   HG23  THR   8          HG23      THR   8   3.488  15.806  -8.205
   55    H    SER   9           H        SER   9   4.942  11.209  -7.291
   56    HA   SER   9           HA       SER   9   7.906  11.717  -7.148
   57    HG   SER   9           HG       SER   9   8.042  11.800  -3.760
   58    HB2  SER   9           HB2      SER   9   6.533  12.532  -5.206
   59    HB3  SER   9           HB3      SER   9   6.097  10.844  -4.883
   60    H    ILE  10           H        ILE  10   8.260   9.486  -5.407
   61    HA   ILE  10           HA       ILE  10   7.848   7.157  -7.253
   62    HB   ILE  10           HB       ILE  10   9.799   6.137  -6.088
   63   HG12  ILE  10          HG12      ILE  10  10.410   8.943  -5.063
   64   HG13  ILE  10          HG13      ILE  10   9.770   7.644  -4.058
   65   HG21  ILE  10          HG21      ILE  10   9.920   7.154  -8.333
   66   HG22  ILE  10          HG22      ILE  10  10.439   8.689  -7.599
   67   HG23  ILE  10          HG23      ILE  10  11.458   7.240  -7.476
   68   HD11  ILE  10          HD11      ILE  10  12.153   7.804  -3.730
   69   HD12  ILE  10          HD12      ILE  10  11.774   6.266  -4.526
   70   HD13  ILE  10          HD13      ILE  10  12.465   7.612  -5.464
   71    H    CYS  11           H        CYS  11   7.304   5.151  -6.376
   72    HA   CYS  11           HA       CYS  11   6.674   5.027  -3.483
   73    HB2  CYS  11           HB2      CYS  11   4.473   4.248  -3.745
   74    HB3  CYS  11           HB3      CYS  11   4.590   5.694  -4.728
   75    H    SER  12           H        SER  12   6.219   2.806  -2.757
   76    HA   SER  12           HA       SER  12   7.931   0.824  -4.244
   77    HG   SER  12           HG       SER  12   8.989  -0.620  -1.234
   78    HB2  SER  12           HB2      SER  12   8.754   1.491  -2.029
   79    HB3  SER  12           HB3      SER  12   7.232   0.924  -1.311
   80    H    LEU  13           H        LEU  13   7.427  -1.346  -4.128
   81    HA   LEU  13           HA       LEU  13   4.661  -2.120  -4.664
   82    HG   LEU  13           HG       LEU  13   7.640  -2.593  -6.054
   83    HB2  LEU  13           HB2      LEU  13   7.124  -3.795  -3.998
   84    HB3  LEU  13           HB3      LEU  13   5.615  -4.392  -4.646
   85   HD11  LEU  13          HD11      LEU  13   7.917  -4.490  -7.565
   86   HD12  LEU  13          HD12      LEU  13   6.696  -5.420  -6.668
   87   HD13  LEU  13          HD13      LEU  13   8.237  -4.981  -5.894
   88   HD21  LEU  13          HD21      LEU  13   5.434  -1.857  -6.814
   89   HD22  LEU  13          HD22      LEU  13   4.962  -3.543  -7.142
   90   HD23  LEU  13          HD23      LEU  13   6.243  -2.776  -8.093
   91    H    TYR  14           H        TYR  14   6.798  -2.125  -1.861
   92    HA   TYR  14           HA       TYR  14   5.135  -3.542  -0.020
   93    HD1  TYR  14           HD1      TYR  14   6.641  -4.634   2.042
   94    HD2  TYR  14           HD2      TYR  14   6.540  -0.346   2.508
   95    HE1  TYR  14           HE1      TYR  14   6.364  -4.910   4.501
   96    HE2  TYR  14           HE2      TYR  14   6.259  -0.614   4.963
   97    HH   TYR  14           HH       TYR  14   6.080  -2.097   6.717
   98    HB2  TYR  14           HB2      TYR  14   7.533  -3.020   0.279
   99    HB3  TYR  14           HB3      TYR  14   7.161  -1.308   0.411
  100    H    GLN  15           H        GLN  15   4.919  -0.259  -1.254
  101    HA   GLN  15           HA       GLN  15   2.942   0.608   0.785
  102    HB2  GLN  15           HB2      GLN  15   4.028   1.978  -1.711
  103    HB3  GLN  15           HB3      GLN  15   2.829   2.669  -0.639
  104    HG2  GLN  15           HG2      GLN  15   4.387   2.624   1.253
  105    HG3  GLN  15           HG3      GLN  15   5.622   1.834   0.272
  106   HE21  GLN  15          HE21      GLN  15   4.715   4.878   1.415
  107   HE22  GLN  15          HE22      GLN  15   5.515   5.819   0.172
  108    H    LEU  16           H        LEU  16   3.020  -0.351  -2.704
  109    HA   LEU  16           HA       LEU  16   0.212  -0.140  -3.178
  110    HG   LEU  16           HG       LEU  16   3.055  -0.053  -4.939
  111    HB2  LEU  16           HB2      LEU  16   2.176  -2.201  -4.288
  112    HB3  LEU  16           HB3      LEU  16   0.595  -1.827  -4.946
  113   HD11  LEU  16          HD11      LEU  16   2.823  -0.218  -7.355
  114   HD12  LEU  16          HD12      LEU  16   1.338  -1.171  -7.190
  115   HD13  LEU  16          HD13      LEU  16   2.897  -1.843  -6.658
  116   HD21  LEU  16          HD21      LEU  16   0.237   0.705  -5.811
  117   HD22  LEU  16          HD22      LEU  16   1.714   1.621  -6.170
  118   HD23  LEU  16          HD23      LEU  16   1.176   1.454  -4.497
  119    H    GLU  17           H        GLU  17   2.063  -2.780  -1.679
  120    HA   GLU  17           HA       GLU  17   0.039  -4.698  -1.498
  121    HB2  GLU  17           HB2      GLU  17   2.507  -4.948  -0.996
  122    HB3  GLU  17           HB3      GLU  17   2.222  -4.177   0.566
  123    HG2  GLU  17           HG2      GLU  17   0.679  -6.017   1.188
  124    HG3  GLU  17           HG3      GLU  17   0.888  -6.738  -0.408
  125    H    ASN  18           H        ASN  18   0.419  -1.780   0.575
  126    HA   ASN  18           HA       ASN  18  -1.261  -2.632   2.714
  127    HB2  ASN  18           HB2      ASN  18  -0.494   0.118   1.640
  128    HB3  ASN  18           HB3      ASN  18  -1.293  -0.178   3.159
  129   HD21  ASN  18          HD21      ASN  18   1.276   1.136   2.781
  130   HD22  ASN  18          HD22      ASN  18   2.435   0.172   3.689
  131    H    TYR  19           H        TYR  19  -2.061  -1.585  -0.530
  132    HA   TYR  19           HA       TYR  19  -4.854  -0.897   0.175
  133    HD1  TYR  19           HD1      TYR  19  -5.480   1.610  -0.572
  134    HD2  TYR  19           HD2      TYR  19  -1.476   0.641  -1.818
  135    HE1  TYR  19           HE1      TYR  19  -4.692   3.802   0.290
  136    HE2  TYR  19           HE2      TYR  19  -0.669   2.815  -0.928
  137    HH   TYR  19           HH       TYR  19  -2.869   5.166   0.668
  138    HB2  TYR  19           HB2      TYR  19  -3.295  -0.807  -2.437
  139    HB3  TYR  19           HB3      TYR  19  -4.955  -0.285  -2.233
  140    H    CYS  20           H        CYS  20  -3.177  -3.740  -0.506
  141    HA   CYS  20           HA       CYS  20  -5.248  -5.196  -1.979
  142    HB2  CYS  20           HB2      CYS  20  -2.729  -5.705  -1.861
  143    HB3  CYS  20           HB3      CYS  20  -3.041  -6.267  -0.209
  144    H    ASN  21           H        ASN  21  -6.593  -6.841  -1.121
  145    HA   ASN  21           HA       ASN  21  -7.382  -6.554   1.711
  146    HB2  ASN  21           HB2      ASN  21  -9.158  -6.570  -0.031
  147    HB3  ASN  21           HB3      ASN  21  -8.598  -8.140  -0.602
  148   HD21  ASN  21          HD21      ASN  21  -9.639  -6.594   2.490
  149   HD22  ASN  21          HD22      ASN  21 -10.584  -7.980   3.010
  150    HA   PHE   1           HA       PHE   1  10.492  -5.720  -3.589
  151    HD1  PHE   1           HD1      PHE   1  10.757  -2.058  -1.577
  152    HD2  PHE   1           HD2      PHE   1   9.459  -5.549   0.619
  153    HE1  PHE   1           HE1      PHE   1  11.306  -0.927   0.559
  154    HE2  PHE   1           HE2      PHE   1  10.002  -4.396   2.749
  155    HZ   PHE   1           HZ       PHE   1  10.929  -2.091   2.722
  156    H1   PHE   1           H1       PHE   1  12.186  -5.514  -1.199
  157    H2   PHE   1           H2       PHE   1  12.517  -6.397  -2.531
  158    H3   PHE   1           H3       PHE   1  11.243  -6.796  -1.592
  159    HB2  PHE   1           HB2      PHE   1   9.130  -3.900  -2.545
  160    HB3  PHE   1           HB3      PHE   1   9.058  -5.425  -1.712
  161    H    VAL   2           H        VAL   2  10.122  -3.342  -4.475
  162    HA   VAL   2           HA       VAL   2  12.607  -1.724  -4.470
  163    HB   VAL   2           HB       VAL   2  12.610  -1.569  -6.937
  164   HG11  VAL   2          HG11      VAL   2  13.760  -3.634  -7.422
  165   HG12  VAL   2          HG12      VAL   2  14.171  -3.104  -5.785
  166   HG13  VAL   2          HG13      VAL   2  13.017  -4.438  -6.032
  167   HG21  VAL   2          HG21      VAL   2  10.668  -3.922  -6.928
  168   HG22  VAL   2          HG22      VAL   2  10.293  -2.266  -7.454
  169   HG23  VAL   2          HG23      VAL   2  11.475  -3.230  -8.346
  170    H    ASN   3           H        ASN   3  12.337   0.374  -5.440
  171    HA   ASN   3           HA       ASN   3   9.528   1.353  -5.467
  172    HB2  ASN   3           HB2      ASN   3  10.332   3.521  -4.758
  173    HB3  ASN   3           HB3      ASN   3  10.849   2.290  -3.619
  174   HD21  ASN   3          HD21      ASN   3  13.134   1.867  -3.383
  175   HD22  ASN   3          HD22      ASN   3  14.332   2.867  -4.193
  176    H    GLN   4           H        GLN   4   8.878   2.877  -6.989
  177    HA   GLN   4           HA       GLN   4  10.465   3.261  -9.468
  178    HB2  GLN   4           HB2      GLN   4   7.852   1.677  -9.304
  179    HB3  GLN   4           HB3      GLN   4   8.606   2.228 -10.798
  180    HG2  GLN   4           HG2      GLN   4  10.623   0.826 -10.282
  181    HG3  GLN   4           HG3      GLN   4   9.751   0.166  -8.886
  182   HE21  GLN   4          HE21      GLN   4   7.618  -0.984  -9.352
  183   HE22  GLN   4          HE22      GLN   4   7.495  -1.796 -10.907
  184    H    HIS   5           H        HIS   5   9.192   4.542 -11.079
  185    HA   HIS   5           HA       HIS   5   7.004   6.223  -9.948
  186    HD1  HIS   5           HD1      HIS   5   7.779   8.895  -9.792
  187    HD2  HIS   5           HD2      HIS   5  10.669   7.423 -12.475
  188    HE1  HIS   5           HE1      HIS   5   9.812  10.394  -9.544
  189    HB2  HIS   5           HB2      HIS   5   8.360   6.293 -12.672
  190    HB3  HIS   5           HB3      HIS   5   7.033   7.325 -12.165
  191    H    LEU   6           H        LEU   6   4.926   5.697 -10.460
  192    HA   LEU   6           HA       LEU   6   4.233   3.740 -12.577
  193    HG   LEU   6           HG       LEU   6   5.799   2.321 -10.399
  194    HB2  LEU   6           HB2      LEU   6   3.665   3.417  -9.594
  195    HB3  LEU   6           HB3      LEU   6   2.791   2.535 -10.838
  196   HD11  LEU   6          HD11      LEU   6   5.268   0.155  -9.326
  197   HD12  LEU   6          HD12      LEU   6   3.534   0.542  -9.445
  198   HD13  LEU   6          HD13      LEU   6   4.604   1.526  -8.427
  199   HD21  LEU   6          HD21      LEU   6   5.092   1.675 -12.699
  200   HD22  LEU   6          HD22      LEU   6   3.848   0.609 -12.012
  201   HD23  LEU   6          HD23      LEU   6   5.571   0.255 -11.763
  202    H    CYS   7           H        CYS   7   2.204   4.200 -13.447
  203    HA   CYS   7           HA       CYS   7   0.358   6.005 -12.048
  204    HB2  CYS   7           HB2      CYS   7   2.289   7.320 -13.205
  205    HB3  CYS   7           HB3      CYS   7   1.462   6.943 -14.709
  206    H    GLY   8           H        GLY   8  -1.614   6.286 -13.075
  207    HA2  GLY   8           HA2      GLY   8  -3.562   5.497 -14.109
  208    HA3  GLY   8           HA3      GLY   8  -2.527   5.489 -15.534
  209    H    SER   9           H        SER   9  -2.909   3.692 -16.631
  210    HA   SER   9           HA       SER   9  -3.919   1.241 -15.664
  211    HG   SER   9           HG       SER   9  -5.028   1.840 -18.002
  212    HB2  SER   9           HB2      SER   9  -2.174   1.684 -18.113
  213    HB3  SER   9           HB3      SER   9  -3.318   0.361 -17.859
  214    H    HIS  10           H        HIS  10  -0.508   2.312 -15.919
  215    HA   HIS  10           HA       HIS  10   0.528  -0.372 -15.372
  216    HD1  HIS  10           HD1      HIS  10   1.896  -1.171 -17.251
  217    HD2  HIS  10           HD2      HIS  10   2.110   2.973 -18.034
  218    HE1  HIS  10           HE1      HIS  10   2.144  -0.929 -19.771
  219    HB2  HIS  10           HB2      HIS  10   1.815   2.368 -15.525
  220    HB3  HIS  10           HB3      HIS  10   2.698   0.874 -15.168
  221    H    LEU  11           H        LEU  11  -0.371   2.415 -13.369
  222    HA   LEU  11           HA       LEU  11   0.719   1.276 -10.912
  223    HG   LEU  11           HG       LEU  11  -1.777   2.469  -9.152
  224    HB2  LEU  11           HB2      LEU  11   0.246   3.660 -11.087
  225    HB3  LEU  11           HB3      LEU  11  -1.456   3.354 -11.430
  226   HD11  LEU  11          HD11      LEU  11   1.178   3.140  -8.766
  227   HD12  LEU  11          HD12      LEU  11   0.434   1.527  -8.646
  228   HD13  LEU  11          HD13      LEU  11   0.030   2.769  -7.453
  229   HD21  LEU  11          HD21      LEU  11  -1.516   4.590  -7.966
  230   HD22  LEU  11          HD22      LEU  11  -2.068   4.879  -9.627
  231   HD23  LEU  11          HD23      LEU  11  -0.367   5.170  -9.195
  232    H    VAL  12           H        VAL  12  -2.510   1.232 -12.461
  233    HA   VAL  12           HA       VAL  12  -3.741  -0.520 -10.564
  234    HB   VAL  12           HB       VAL  12  -4.341  -0.019 -13.494
  235   HG11  VAL  12          HG11      VAL  12  -6.595  -0.982 -13.094
  236   HG12  VAL  12          HG12      VAL  12  -5.349  -2.215 -12.937
  237   HG13  VAL  12          HG13      VAL  12  -6.085  -1.508 -11.481
  238   HG21  VAL  12          HG21      VAL  12  -6.185   1.356 -12.600
  239   HG22  VAL  12          HG22      VAL  12  -5.707   0.942 -10.935
  240   HG23  VAL  12          HG23      VAL  12  -4.643   1.926 -11.959
  241    H    GLU  13           H        GLU  13  -1.852  -1.276 -13.498
  242    HA   GLU  13           HA       GLU  13  -2.011  -4.115 -13.409
  243    HB2  GLU  13           HB2      GLU  13  -1.204  -2.783 -15.311
  244    HB3  GLU  13           HB3      GLU  13   0.173  -2.234 -14.362
  245    HG2  GLU  13           HG2      GLU  13   1.117  -4.475 -14.329
  246    HG3  GLU  13           HG3      GLU  13  -0.320  -5.121 -15.133
  247    H    ALA  14           H        ALA  14   0.469  -1.885 -11.980
  248    HA   ALA  14           HA       ALA  14   1.999  -3.927 -10.718
  249    HB1  ALA  14           HB1      ALA  14   2.803  -1.634 -11.135
  250    HB2  ALA  14           HB2      ALA  14   1.648  -0.995  -9.943
  251    HB3  ALA  14           HB3      ALA  14   2.971  -2.072  -9.429
  252    H    LEU  15           H        LEU  15  -0.730  -1.996  -9.395
  253    HA   LEU  15           HA       LEU  15  -0.874  -3.166  -6.797
  254    HG   LEU  15           HG       LEU  15  -1.224  -0.556  -7.260
  255    HB2  LEU  15           HB2      LEU  15  -2.915  -1.983  -8.717
  256    HB3  LEU  15           HB3      LEU  15  -3.408  -2.651  -7.169
  257   HD11  LEU  15          HD11      LEU  15  -4.226  -0.016  -7.148
  258   HD12  LEU  15          HD12      LEU  15  -3.148   0.398  -8.493
  259   HD13  LEU  15          HD13      LEU  15  -2.937   1.188  -6.922
  260   HD21  LEU  15          HD21      LEU  15  -1.675  -1.845  -5.128
  261   HD22  LEU  15          HD22      LEU  15  -3.340  -1.245  -5.155
  262   HD23  LEU  15          HD23      LEU  15  -1.988  -0.110  -4.963
  263    H    TYR  16           H        TYR  16  -2.456  -4.284  -9.855
  264    HA   TYR  16           HA       TYR  16  -3.563  -6.642  -8.698
  265    HD1  TYR  16           HD1      TYR  16  -5.620  -7.759  -9.774
  266    HD2  TYR  16           HD2      TYR  16  -2.416  -8.148 -12.633
  267    HE1  TYR  16           HE1      TYR  16  -6.355 -10.075 -10.281
  268    HE2  TYR  16           HE2      TYR  16  -3.145 -10.463 -13.150
  269    HH   TYR  16           HH       TYR  16  -4.650 -12.148 -12.672
  270    HB2  TYR  16           HB2      TYR  16  -4.328  -5.709 -10.833
  271    HB3  TYR  16           HB3      TYR  16  -2.773  -6.059 -11.571
  272    H    LEU  17           H        LEU  17  -0.354  -6.125 -10.187
  273    HA   LEU  17           HA       LEU  17   0.404  -8.918  -9.986
  274    HG   LEU  17           HG       LEU  17   0.551  -7.172 -12.330
  275    HB2  LEU  17           HB2      LEU  17   1.990  -6.345 -10.372
  276    HB3  LEU  17           HB3      LEU  17   2.753  -7.928 -10.363
  277   HD11  LEU  17          HD11      LEU  17   2.352  -6.869 -13.973
  278   HD12  LEU  17          HD12      LEU  17   3.578  -7.157 -12.719
  279   HD13  LEU  17          HD13      LEU  17   2.530  -5.723 -12.637
  280   HD21  LEU  17          HD21      LEU  17   0.762  -9.596 -12.044
  281   HD22  LEU  17          HD22      LEU  17   2.521  -9.498 -12.268
  282   HD23  LEU  17          HD23      LEU  17   1.418  -9.118 -13.608
  283    H    VAL  18           H        VAL  18   0.848  -6.193  -7.797
  284    HA   VAL  18           HA       VAL  18   2.434  -7.682  -5.864
  285    HB   VAL  18           HB       VAL  18   0.854  -5.097  -5.693
  286   HG11  VAL  18          HG11      VAL  18   2.535  -6.362  -3.487
  287   HG12  VAL  18          HG12      VAL  18   1.990  -4.667  -3.523
  288   HG13  VAL  18          HG13      VAL  18   0.808  -5.967  -3.412
  289   HG21  VAL  18          HG21      VAL  18   3.847  -5.707  -5.607
  290   HG22  VAL  18          HG22      VAL  18   2.988  -5.092  -7.018
  291   HG23  VAL  18          HG23      VAL  18   3.106  -4.092  -5.567
  292    H    CYS  19           H        CYS  19  -1.062  -7.012  -6.188
  293    HA   CYS  19           HA       CYS  19  -1.665  -8.318  -3.624
  294    HB2  CYS  19           HB2      CYS  19  -2.679  -6.198  -4.400
  295    HB3  CYS  19           HB3      CYS  19  -3.422  -7.049  -5.754
  296    H    GLY  20           H        GLY  20  -1.949  -9.175  -7.048
  297    HA2  GLY  20           HA2      GLY  20  -2.575 -11.157  -8.085
  298    HA3  GLY  20           HA3      GLY  20  -2.717 -11.939  -6.498
  299    H    GLU  21           H        GLU  21  -4.620 -12.948  -7.268
  300    HA   GLU  21           HA       GLU  21  -6.973 -11.498  -8.096
  301    HB2  GLU  21           HB2      GLU  21  -6.590 -14.355  -7.122
  302    HB3  GLU  21           HB3      GLU  21  -8.092 -13.721  -7.806
  303    HG2  GLU  21           HG2      GLU  21  -6.901 -13.159  -9.916
  304    HG3  GLU  21           HG3      GLU  21  -5.418 -13.871  -9.268
  305    H    ARG  22           H        ARG  22  -5.637 -11.616  -5.012
  306    HA   ARG  22           HA       ARG  22  -7.850 -11.903  -3.256
  307    HE   ARG  22           HE       ARG  22  -5.254 -10.663  -0.031
  308    HB2  ARG  22           HB2      ARG  22  -5.318 -10.225  -3.120
  309    HB3  ARG  22           HB3      ARG  22  -6.461 -10.352  -1.784
  310    HG2  ARG  22           HG2      ARG  22  -6.088 -12.739  -1.576
  311    HG3  ARG  22           HG3      ARG  22  -5.099 -12.762  -3.040
  312    HD2  ARG  22           HD2      ARG  22  -3.673 -12.873  -1.110
  313    HD3  ARG  22           HD3      ARG  22  -3.396 -11.351  -1.964
  314   HH11  ARG  22          HH11      ARG  22  -2.023 -12.122   0.156
  315   HH12  ARG  22          HH12      ARG  22  -1.730 -11.446   1.730
  316   HH21  ARG  22          HH21      ARG  22  -4.822  -9.829   1.929
  317   HH22  ARG  22          HH22      ARG  22  -3.299 -10.151   2.732
  318    H    GLY  23           H        GLY  23  -6.839  -9.115  -5.202
  319    HA2  GLY  23           HA2      GLY  23  -8.190  -7.366  -5.985
  320    HA3  GLY  23           HA3      GLY  23  -9.448  -7.773  -4.802
  321    H    PHE  24           H        PHE  24  -8.253  -5.202  -5.541
  322    HA   PHE  24           HA       PHE  24  -7.280  -4.242  -2.899
  323    HD1  PHE  24           HD2      PHE  24  -6.256  -1.482  -5.970
  324    HD2  PHE  24           HD1      PHE  24  -5.594  -5.720  -6.461
  325    HE1  PHE  24           HE2      PHE  24  -6.244  -1.202  -8.443
  326    HE2  PHE  24           HE1      PHE  24  -5.621  -5.433  -8.928
  327    HZ   PHE  24           HZ       PHE  24  -5.925  -3.180  -9.914
  328    HB2  PHE  24           HB2      PHE  24  -5.541  -2.922  -4.071
  329    HB3  PHE  24           HB3      PHE  24  -5.306  -4.644  -4.282
  330    H    PHE  25           H        PHE  25  -7.291  -1.876  -2.720
  331    HA   PHE  25           HA       PHE  25  -9.039  -0.371  -4.566
  332    HD1  PHE  25           HD1      PHE  25 -11.663   0.307  -4.591
  333    HD2  PHE  25           HD2      PHE  25  -9.993   1.573  -0.816
  334    HE1  PHE  25           HE1      PHE  25 -12.969   2.417  -4.716
  335    HE2  PHE  25           HE2      PHE  25 -11.288   3.685  -0.954
  336    HZ   PHE  25           HZ       PHE  25 -12.781   4.108  -2.905
  337    HB2  PHE  25           HB2      PHE  25 -10.592  -1.319  -2.902
  338    HB3  PHE  25           HB3      PHE  25  -9.623  -0.667  -1.590
  339    H    TYR  26           H        TYR  26  -7.540   1.058  -5.178
  340    HA   TYR  26           HA       TYR  26  -5.614   2.309  -3.396
  341    HD1  TYR  26           HD2      TYR  26  -7.015   1.041  -7.262
  342    HD2  TYR  26           HD1      TYR  26  -6.210   5.191  -6.393
  343    HE1  TYR  26           HE2      TYR  26  -8.495   1.722  -9.129
  344    HE2  TYR  26           HE1      TYR  26  -7.696   5.877  -8.260
  345    HH   TYR  26           HH       TYR  26  -9.407   3.478 -10.315
  346    HB2  TYR  26           HB2      TYR  26  -4.861   3.384  -5.399
  347    HB3  TYR  26           HB3      TYR  26  -5.162   1.708  -5.752
  348    H    THR  27           H        THR  27  -5.408   4.845  -3.739
  349    HA   THR  27           HA       THR  27  -8.040   6.196  -3.668
  350    HB   THR  27           HB       THR  27  -7.571   5.788  -1.369
  351    HG1  THR  27           HG1      THR  27  -7.823   7.958  -0.778
  352   HG21  THR  27          HG21      THR  27  -5.050   5.783  -1.411
  353   HG22  THR  27          HG22      THR  27  -5.752   6.804  -0.151
  354   HG23  THR  27          HG23      THR  27  -5.102   7.555  -1.623
  355    HA   PRO  28           HA       PRO  28  -5.621   8.830  -6.360
  356    HB2  PRO  28           HB2      PRO  28  -7.590  10.326  -7.443
  357    HB3  PRO  28           HB3      PRO  28  -7.543   8.557  -7.681
  358    HG2  PRO  28           HG2      PRO  28  -9.125  10.096  -5.587
  359    HG3  PRO  28           HG3      PRO  28  -9.748   8.893  -6.764
  360    HD2  PRO  28           HD2      PRO  28  -9.034   8.218  -4.201
  361    HD3  PRO  28           HD3      PRO  28  -8.793   7.104  -5.577
  362    H    LYS  29           H        LYS  29  -5.655  11.367  -6.865
  363    HA   LYS  29           HA       LYS  29  -5.201  12.881  -4.402
  364    HB2  LYS  29           HB2      LYS  29  -3.875  13.111  -6.484
  365    HB3  LYS  29           HB3      LYS  29  -5.309  13.714  -7.332
  366    HG2  LYS  29           HG2      LYS  29  -5.385  15.702  -5.911
  367    HG3  LYS  29           HG3      LYS  29  -4.101  15.045  -4.865
  368    HD2  LYS  29           HD2      LYS  29  -2.523  15.130  -6.768
  369    HD3  LYS  29           HD3      LYS  29  -3.795  15.803  -7.810
  370    HE2  LYS  29           HE2      LYS  29  -3.954  17.805  -6.461
  371    HE3  LYS  29           HE3      LYS  29  -2.949  17.098  -5.190
  372    HZ1  LYS  29           HZ1      LYS  29  -1.958  17.717  -7.912
  373    HZ2  LYS  29           HZ2      LYS  29  -1.081  17.094  -6.660
  374    HZ3  LYS  29           HZ3      LYS  29  -1.674  18.623  -6.571
  375    H    THR  30           H        THR  30  -7.908  12.376  -6.545
  376    HA   THR  30           HA       THR  30  -9.410  14.705  -6.302
  377    HB   THR  30           HB       THR  30 -10.579  11.913  -6.498
  378    HG1  THR  30           HG1      THR  30 -10.168  12.157  -8.732
  379   HG21  THR  30          HG21      THR  30 -12.252  13.729  -6.380
  380   HG22  THR  30          HG22      THR  30 -12.208  13.034  -8.004
  381   HG23  THR  30          HG23      THR  30 -11.424  14.599  -7.687
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -3.926   9.855  -0.641
    2    H2   GLY   1           H2       GLY   1  -2.739   9.922  -1.766
    3    H3   GLY   1           H3       GLY   1  -2.481   9.130  -0.346
    4    HA2  GLY   1           HA2      GLY   1  -4.181   7.496  -0.926
    5    HA3  GLY   1           HA3      GLY   1  -4.335   8.336  -2.490
    6    H    ILE   2           H        ILE   2  -3.668   6.501  -3.686
    7    HA   ILE   2           HA       ILE   2  -0.740   5.893  -3.441
    8    HB   ILE   2           HB       ILE   2  -2.209   3.982  -2.966
    9   HG12  ILE   2          HG12      ILE   2  -1.114   2.298  -4.339
   10   HG13  ILE   2          HG13      ILE   2  -0.499   3.546  -5.417
   11   HG21  ILE   2          HG21      ILE   2  -3.405   2.808  -4.755
   12   HG22  ILE   2          HG22      ILE   2  -4.057   4.430  -4.535
   13   HG23  ILE   2          HG23      ILE   2  -2.981   4.083  -5.912
   14   HD11  ILE   2          HD11      ILE   2   0.148   3.352  -2.431
   15   HD12  ILE   2          HD12      ILE   2   1.164   2.699  -3.722
   16   HD13  ILE   2          HD13      ILE   2   0.909   4.444  -3.609
   17    H    VAL   3           H        VAL   3  -3.268   6.926  -5.717
   18    HA   VAL   3           HA       VAL   3  -1.722   6.564  -8.069
   19    HB   VAL   3           HB       VAL   3  -3.922   8.568  -7.518
   20   HG11  VAL   3          HG11      VAL   3  -2.699   9.392  -9.473
   21   HG12  VAL   3          HG12      VAL   3  -2.691   7.765 -10.193
   22   HG13  VAL   3          HG13      VAL   3  -4.215   8.668 -10.004
   23   HG21  VAL   3          HG21      VAL   3  -5.349   6.955  -8.731
   24   HG22  VAL   3          HG22      VAL   3  -3.950   5.894  -9.007
   25   HG23  VAL   3          HG23      VAL   3  -4.574   6.126  -7.373
   26    H    GLU   4           H        GLU   4  -1.792   9.444  -5.879
   27    HA   GLU   4           HA       GLU   4   0.068  10.909  -7.629
   28    HB2  GLU   4           HB2      GLU   4  -0.039  12.665  -6.146
   29    HB3  GLU   4           HB3      GLU   4  -1.680  12.045  -6.186
   30    HG2  GLU   4           HG2      GLU   4   0.345  11.544  -3.949
   31    HG3  GLU   4           HG3      GLU   4  -0.855  12.799  -3.954
   32    H    GLN   5           H        GLN   5   0.168   8.957  -4.677
   33    HA   GLN   5           HA       GLN   5   2.864   9.383  -3.947
   34    HB2  GLN   5           HB2      GLN   5   0.965   8.242  -2.663
   35    HB3  GLN   5           HB3      GLN   5   1.275   6.801  -3.646
   36    HG2  GLN   5           HG2      GLN   5   3.658   6.839  -2.778
   37    HG3  GLN   5           HG3      GLN   5   3.172   8.146  -1.682
   38   HE21  GLN   5          HE21      GLN   5   0.407   6.827  -1.124
   39   HE22  GLN   5          HE22      GLN   5   0.876   5.494  -0.082
   40    H    CYS   6           H        CYS   6   1.513   7.005  -6.264
   41    HA   CYS   6           HA       CYS   6   4.181   5.979  -6.939
   42    HB2  CYS   6           HB2      CYS   6   1.372   5.519  -8.009
   43    HB3  CYS   6           HB3      CYS   6   2.806   4.695  -8.607
   44    H    CYS   7           H        CYS   7   2.052   8.410  -8.283
   45    HA   CYS   7           HA       CYS   7   3.484   8.290 -10.904
   46    HB2  CYS   7           HB2      CYS   7   1.001   8.128 -10.737
   47    HB3  CYS   7           HB3      CYS   7   0.958   9.808 -10.179
   48    H    THR   8           H        THR   8   2.626  10.752  -8.440
   49    HA   THR   8           HA       THR   8   4.269  12.839  -9.741
   50    HB   THR   8           HB       THR   8   2.741  12.926  -7.098
   51    HG1  THR   8           HG1      THR   8   1.902  13.714  -9.706
   52   HG21  THR   8          HG21      THR   8   3.704  15.120  -8.991
   53   HG22  THR   8          HG22      THR   8   4.334  14.774  -7.370
   54   HG23  THR   8          HG23      THR   8   2.683  15.368  -7.556
   55    H    SER   9           H        SER   9   4.190  10.917  -6.754
   56    HA   SER   9           HA       SER   9   7.135  11.369  -6.327
   57    HG   SER   9           HG       SER   9   5.041  12.506  -4.649
   58    HB2  SER   9           HB2      SER   9   4.996  10.181  -4.518
   59    HB3  SER   9           HB3      SER   9   6.728  10.252  -4.145
   60    H    ILE  10           H        ILE  10   7.810   8.999  -5.201
   61    HA   ILE  10           HA       ILE  10   7.234   6.889  -7.240
   62    HB   ILE  10           HB       ILE  10   9.375   5.858  -6.609
   63   HG12  ILE  10          HG12      ILE  10  10.001   8.453  -5.135
   64   HG13  ILE  10          HG13      ILE  10   9.767   6.864  -4.402
   65   HG21  ILE  10          HG21      ILE  10   9.085   7.247  -8.625
   66   HG22  ILE  10          HG22      ILE  10   9.708   8.657  -7.741
   67   HG23  ILE  10          HG23      ILE  10  10.743   7.246  -8.053
   68   HD11  ILE  10          HD11      ILE  10  12.055   7.699  -6.218
   69   HD12  ILE  10          HD12      ILE  10  12.118   7.288  -4.503
   70   HD13  ILE  10          HD13      ILE  10  11.756   6.024  -5.697
   71    H    CYS  11           H        CYS  11   6.707   4.847  -6.512
   72    HA   CYS  11           HA       CYS  11   6.339   4.527  -3.558
   73    HB2  CYS  11           HB2      CYS  11   4.230   3.463  -3.850
   74    HB3  CYS  11           HB3      CYS  11   4.192   5.020  -4.653
   75    H    SER  12           H        SER  12   6.494   2.471  -2.737
   76    HA   SER  12           HA       SER  12   8.088   0.520  -4.337
   77    HG   SER  12           HG       SER  12   7.669   0.513  -0.284
   78    HB2  SER  12           HB2      SER  12   8.533  -0.565  -2.238
   79    HB3  SER  12           HB3      SER  12   8.843   1.168  -2.062
   80    H    LEU  13           H        LEU  13   7.654  -1.806  -4.082
   81    HA   LEU  13           HA       LEU  13   4.960  -2.611  -4.693
   82    HG   LEU  13           HG       LEU  13   8.110  -3.223  -5.684
   83    HB2  LEU  13           HB2      LEU  13   7.306  -4.242  -3.618
   84    HB3  LEU  13           HB3      LEU  13   5.874  -4.866  -4.411
   85   HD11  LEU  13          HD11      LEU  13   8.590  -5.612  -5.296
   86   HD12  LEU  13          HD12      LEU  13   8.437  -5.271  -7.027
   87   HD13  LEU  13          HD13      LEU  13   7.107  -6.062  -6.166
   88   HD21  LEU  13          HD21      LEU  13   5.506  -4.168  -6.966
   89   HD22  LEU  13          HD22      LEU  13   6.915  -3.552  -7.852
   90   HD23  LEU  13          HD23      LEU  13   6.044  -2.480  -6.755
   91    H    TYR  14           H        TYR  14   6.801  -2.430  -1.675
   92    HA   TYR  14           HA       TYR  14   4.879  -3.678   0.035
   93    HD1  TYR  14           HD2      TYR  14   6.680  -5.183   1.540
   94    HD2  TYR  14           HD1      TYR  14   8.893  -2.102  -0.518
   95    HE1  TYR  14           HE2      TYR  14   8.496  -6.809   1.049
   96    HE2  TYR  14           HE1      TYR  14  10.682  -3.740  -1.051
   97    HH   TYR  14           HH       TYR  14  10.528  -7.161   0.025
   98    HB2  TYR  14           HB2      TYR  14   6.920  -1.532   0.722
   99    HB3  TYR  14           HB3      TYR  14   6.174  -2.669   1.824
  100    H    GLN  15           H        GLN  15   5.235  -0.347  -1.079
  101    HA   GLN  15           HA       GLN  15   3.010   0.715   0.509
  102    HB2  GLN  15           HB2      GLN  15   4.654   1.778  -1.806
  103    HB3  GLN  15           HB3      GLN  15   3.272   2.658  -1.148
  104    HG2  GLN  15           HG2      GLN  15   4.248   2.847   1.021
  105    HG3  GLN  15           HG3      GLN  15   5.537   1.707   0.655
  106   HE21  GLN  15          HE21      GLN  15   5.748   4.556   1.600
  107   HE22  GLN  15          HE22      GLN  15   6.747   5.319   0.370
  108    H    LEU  16           H        LEU  16   3.299  -0.569  -2.862
  109    HA   LEU  16           HA       LEU  16   0.513  -0.180  -3.512
  110    HG   LEU  16           HG       LEU  16   3.071  -0.027  -5.225
  111    HB2  LEU  16           HB2      LEU  16   2.511  -2.325  -4.367
  112    HB3  LEU  16           HB3      LEU  16   0.903  -2.161  -5.052
  113   HD11  LEU  16          HD11      LEU  16   2.068  -2.041  -7.282
  114   HD12  LEU  16          HD12      LEU  16   3.658  -2.054  -6.495
  115   HD13  LEU  16          HD13      LEU  16   3.237  -0.737  -7.584
  116   HD21  LEU  16          HD21      LEU  16   1.635   0.978  -6.929
  117   HD22  LEU  16          HD22      LEU  16   0.801   0.953  -5.376
  118   HD23  LEU  16          HD23      LEU  16   0.374  -0.238  -6.634
  119    H    GLU  17           H        GLU  17   2.186  -2.872  -1.828
  120    HA   GLU  17           HA       GLU  17  -0.023  -4.543  -1.501
  121    HB2  GLU  17           HB2      GLU  17   2.386  -5.073  -1.061
  122    HB3  GLU  17           HB3      GLU  17   2.251  -4.220   0.481
  123    HG2  GLU  17           HG2      GLU  17   0.507  -5.816   1.220
  124    HG3  GLU  17           HG3      GLU  17   0.572  -6.621  -0.358
  125    H    ASN  18           H        ASN  18   0.774  -1.633   0.363
  126    HA   ASN  18           HA       ASN  18  -0.989  -2.070   2.569
  127    HB2  ASN  18           HB2      ASN  18   0.904  -0.420   2.440
  128    HB3  ASN  18           HB3      ASN  18  -0.072   0.563   1.342
  129   HD21  ASN  18          HD21      ASN  18  -0.173  -0.918   4.652
  130   HD22  ASN  18          HD22      ASN  18  -1.124   0.380   5.342
  131    H    TYR  19           H        TYR  19  -1.685  -1.138  -0.743
  132    HA   TYR  19           HA       TYR  19  -4.441  -0.234  -0.074
  133    HD1  TYR  19           HD1      TYR  19  -5.426   2.256  -1.384
  134    HD2  TYR  19           HD2      TYR  19  -1.196   1.566  -1.012
  135    HE1  TYR  19           HE1      TYR  19  -5.158   4.481  -0.303
  136    HE2  TYR  19           HE2      TYR  19  -0.915   3.785   0.066
  137    HH   TYR  19           HH       TYR  19  -1.972   5.704   0.792
  138    HB2  TYR  19           HB2      TYR  19  -2.623   0.113  -2.471
  139    HB3  TYR  19           HB3      TYR  19  -4.346   0.412  -2.569
  140    H    CYS  20           H        CYS  20  -3.067  -3.184  -0.658
  141    HA   CYS  20           HA       CYS  20  -5.205  -4.406  -2.230
  142    HB2  CYS  20           HB2      CYS  20  -3.466  -5.665  -0.097
  143    HB3  CYS  20           HB3      CYS  20  -4.401  -6.495  -1.338
  144    H    ASN  21           H        ASN  21  -7.047  -5.521  -1.429
  145    HA   ASN  21           HA       ASN  21  -8.010  -4.651   1.270
  146    HB2  ASN  21           HB2      ASN  21 -10.241  -5.076   0.485
  147    HB3  ASN  21           HB3      ASN  21  -9.416  -4.019  -0.651
  148   HD21  ASN  21          HD21      ASN  21  -9.840  -7.536  -0.162
  149   HD22  ASN  21          HD22      ASN  21 -10.076  -7.890  -1.886
  150    HA   PHE   1           HA       PHE   1  13.883  -0.117  -1.881
  151    HD1  PHE   1           HD2      PHE   1  16.187  -1.091  -0.989
  152    HD2  PHE   1           HD1      PHE   1  13.180  -2.308   1.864
  153    HE1  PHE   1           HE2      PHE   1  17.770  -0.652   0.871
  154    HE2  PHE   1           HE1      PHE   1  14.770  -1.867   3.718
  155    HZ   PHE   1           HZ       PHE   1  17.065  -1.041   3.225
  156    H1   PHE   1           H1       PHE   1  11.541  -0.300  -0.112
  157    H2   PHE   1           H2       PHE   1  12.006   1.028  -0.959
  158    H3   PHE   1           H3       PHE   1  12.964   0.451   0.241
  159    HB2  PHE   1           HB2      PHE   1  12.761  -2.570  -0.470
  160    HB3  PHE   1           HB3      PHE   1  14.113  -2.551  -1.592
  161    H    VAL   2           H        VAL   2  13.670  -1.127  -3.952
  162    HA   VAL   2           HA       VAL   2  12.660  -1.514  -5.897
  163    HB   VAL   2           HB       VAL   2  10.317  -2.868  -4.571
  164   HG11  VAL   2          HG11      VAL   2  10.362  -2.828  -7.066
  165   HG12  VAL   2          HG12      VAL   2  12.008  -3.485  -7.061
  166   HG13  VAL   2          HG13      VAL   2  10.651  -4.471  -6.492
  167   HG21  VAL   2          HG21      VAL   2  11.675  -4.975  -4.444
  168   HG22  VAL   2          HG22      VAL   2  13.137  -4.026  -4.791
  169   HG23  VAL   2          HG23      VAL   2  12.208  -3.759  -3.293
  170    H    ASN   3           H        ASN   3  12.218   0.915  -4.851
  171    HA   ASN   3           HA       ASN   3   9.482   1.844  -5.289
  172    HB2  ASN   3           HB2      ASN   3  12.060   3.365  -4.755
  173    HB3  ASN   3           HB3      ASN   3  10.479   4.113  -4.915
  174   HD21  ASN   3          HD21      ASN   3   9.237   4.356  -3.059
  175   HD22  ASN   3          HD22      ASN   3   9.570   3.521  -1.562
  176    H    GLN   4           H        GLN   4   8.658   2.875  -6.994
  177    HA   GLN   4           HA       GLN   4  10.314   3.469  -9.404
  178    HB2  GLN   4           HB2      GLN   4   7.891   1.600  -9.246
  179    HB3  GLN   4           HB3      GLN   4   8.588   2.207 -10.755
  180    HG2  GLN   4           HG2      GLN   4  10.736   1.068 -10.207
  181    HG3  GLN   4           HG3      GLN   4   9.997   0.406  -8.740
  182   HE21  GLN   4          HE21      GLN   4   8.149  -1.115  -8.978
  183   HE22  GLN   4          HE22      GLN   4   8.038  -2.038 -10.469
  184    H    HIS   5           H        HIS   5   9.137   4.754 -10.999
  185    HA   HIS   5           HA       HIS   5   6.740   6.213 -10.015
  186    HD1  HIS   5           HD1      HIS   5   6.736   8.768  -9.775
  187    HD2  HIS   5           HD2      HIS   5  10.186   8.350 -12.147
  188    HE1  HIS   5           HE1      HIS   5   8.161  10.811  -9.321
  189    HB2  HIS   5           HB2      HIS   5   8.446   6.497 -12.511
  190    HB3  HIS   5           HB3      HIS   5   6.841   7.200 -12.374
  191    H    LEU   6           H        LEU   6   4.792   5.466 -10.497
  192    HA   LEU   6           HA       LEU   6   4.285   3.569 -12.735
  193    HG   LEU   6           HG       LEU   6   5.921   2.298 -10.424
  194    HB2  LEU   6           HB2      LEU   6   3.637   3.130  -9.783
  195    HB3  LEU   6           HB3      LEU   6   2.940   2.180 -11.094
  196   HD11  LEU   6          HD11      LEU   6   3.817   0.217  -9.726
  197   HD12  LEU   6          HD12      LEU   6   4.646   1.300  -8.585
  198   HD13  LEU   6          HD13      LEU   6   5.562   0.050  -9.449
  199   HD21  LEU   6          HD21      LEU   6   5.470   1.643 -12.786
  200   HD22  LEU   6          HD22      LEU   6   4.329   0.403 -12.227
  201   HD23  LEU   6          HD23      LEU   6   6.060   0.274 -11.843
  202    H    CYS   7           H        CYS   7   2.344   4.083 -13.731
  203    HA   CYS   7           HA       CYS   7   0.326   5.695 -12.319
  204    HB2  CYS   7           HB2      CYS   7   2.282   7.147 -13.229
  205    HB3  CYS   7           HB3      CYS   7   1.557   6.877 -14.815
  206    H    GLY   8           H        GLY   8  -1.585   5.995 -13.463
  207    HA2  GLY   8           HA2      GLY   8  -3.413   5.256 -14.699
  208    HA3  GLY   8           HA3      GLY   8  -2.269   5.211 -16.039
  209    H    SER   9           H        SER   9  -2.526   3.374 -17.124
  210    HA   SER   9           HA       SER   9  -3.636   0.932 -16.112
  211    HG   SER   9           HG       SER   9  -1.972   1.647 -19.779
  212    HB2  SER   9           HB2      SER   9  -2.784   0.045 -18.317
  213    HB3  SER   9           HB3      SER   9  -3.849   1.456 -18.428
  214    H    HIS  10           H        HIS  10  -0.252   2.058 -16.448
  215    HA   HIS  10           HA       HIS  10   0.954  -0.501 -15.832
  216    HD1  HIS  10           HD1      HIS  10   2.555   3.607 -17.603
  217    HD2  HIS  10           HD2      HIS  10   1.946  -0.517 -18.177
  218    HE1  HIS  10           HE1      HIS  10   2.647   3.216 -20.117
  219    HB2  HIS  10           HB2      HIS  10   2.091   2.285 -15.411
  220    HB3  HIS  10           HB3      HIS  10   2.997   0.789 -15.543
  221    H    LEU  11           H        LEU  11  -0.123   2.232 -13.786
  222    HA   LEU  11           HA       LEU  11   0.762   1.046 -11.293
  223    HG   LEU  11           HG       LEU  11  -1.820   2.192  -9.662
  224    HB2  LEU  11           HB2      LEU  11   0.306   3.429 -11.449
  225    HB3  LEU  11           HB3      LEU  11  -1.375   3.134 -11.903
  226   HD11  LEU  11          HD11      LEU  11  -0.119   2.451  -7.865
  227   HD12  LEU  11          HD12      LEU  11   1.100   2.862  -9.100
  228   HD13  LEU  11          HD13      LEU  11   0.355   1.249  -9.074
  229   HD21  LEU  11          HD21      LEU  11  -2.092   4.622 -10.096
  230   HD22  LEU  11          HD22      LEU  11  -0.420   4.902  -9.560
  231   HD23  LEU  11          HD23      LEU  11  -1.634   4.287  -8.416
  232    H    VAL  12           H        VAL  12  -2.384   1.029 -13.024
  233    HA   VAL  12           HA       VAL  12  -3.750  -0.634 -11.169
  234    HB   VAL  12           HB       VAL  12  -4.131  -0.333 -14.170
  235   HG11  VAL  12          HG11      VAL  12  -5.928  -1.822 -12.201
  236   HG12  VAL  12          HG12      VAL  12  -6.399  -1.344 -13.847
  237   HG13  VAL  12          HG13      VAL  12  -5.102  -2.512 -13.614
  238   HG21  VAL  12          HG21      VAL  12  -4.626   1.676 -12.756
  239   HG22  VAL  12          HG22      VAL  12  -6.075   1.029 -13.527
  240   HG23  VAL  12          HG23      VAL  12  -5.761   0.700 -11.803
  241    H    GLU  13           H        GLU  13  -1.734  -1.606 -13.966
  242    HA   GLU  13           HA       GLU  13  -2.026  -4.422 -13.642
  243    HB2  GLU  13           HB2      GLU  13  -1.106  -3.157 -15.642
  244    HB3  GLU  13           HB3      GLU  13   0.382  -2.915 -14.729
  245    HG2  GLU  13           HG2      GLU  13   0.768  -4.759 -16.157
  246    HG3  GLU  13           HG3      GLU  13   0.585  -5.442 -14.552
  247    H    ALA  14           H        ALA  14   0.514  -2.177 -12.340
  248    HA   ALA  14           HA       ALA  14   2.028  -4.231 -11.037
  249    HB1  ALA  14           HB1      ALA  14   3.074  -2.340  -9.839
  250    HB2  ALA  14           HB2      ALA  14   2.903  -1.979 -11.563
  251    HB3  ALA  14           HB3      ALA  14   1.782  -1.254 -10.393
  252    H    LEU  15           H        LEU  15  -0.535  -2.083  -9.744
  253    HA   LEU  15           HA       LEU  15  -0.542  -3.104  -7.091
  254    HG   LEU  15           HG       LEU  15  -3.669  -2.622  -6.598
  255    HB2  LEU  15           HB2      LEU  15  -1.512  -0.950  -7.930
  256    HB3  LEU  15           HB3      LEU  15  -2.783  -1.855  -8.741
  257   HD11  LEU  15          HD11      LEU  15  -1.476  -0.975  -5.272
  258   HD12  LEU  15          HD12      LEU  15  -1.636  -2.745  -5.207
  259   HD13  LEU  15          HD13      LEU  15  -2.858  -1.727  -4.444
  260   HD21  LEU  15          HD21      LEU  15  -4.413  -0.447  -7.541
  261   HD22  LEU  15          HD22      LEU  15  -3.141   0.392  -6.633
  262   HD23  LEU  15          HD23      LEU  15  -4.464  -0.417  -5.772
  263    H    TYR  16           H        TYR  16  -2.521  -4.071  -9.940
  264    HA   TYR  16           HA       TYR  16  -3.935  -6.208  -8.724
  265    HD1  TYR  16           HD1      TYR  16  -6.043  -7.286 -10.022
  266    HD2  TYR  16           HD2      TYR  16  -2.628  -7.936 -12.564
  267    HE1  TYR  16           HE1      TYR  16  -6.939  -9.523 -10.636
  268    HE2  TYR  16           HE2      TYR  16  -3.511 -10.173 -13.188
  269    HH   TYR  16           HH       TYR  16  -5.211 -11.706 -12.910
  270    HB2  TYR  16           HB2      TYR  16  -4.509  -5.358 -10.936
  271    HB3  TYR  16           HB3      TYR  16  -2.944  -5.827 -11.571
  272    H    LEU  17           H        LEU  17  -0.696  -6.274 -10.254
  273    HA   LEU  17           HA       LEU  17  -0.333  -9.119  -9.816
  274    HG   LEU  17           HG       LEU  17  -0.052  -7.636 -12.346
  275    HB2  LEU  17           HB2      LEU  17   1.567  -6.853 -10.539
  276    HB3  LEU  17           HB3      LEU  17   2.103  -8.517 -10.375
  277   HD11  LEU  17          HD11      LEU  17   2.910  -8.214 -12.793
  278   HD12  LEU  17          HD12      LEU  17   2.139  -6.615 -12.880
  279   HD13  LEU  17          HD13      LEU  17   1.712  -7.866 -14.059
  280   HD21  LEU  17          HD21      LEU  17   1.480 -10.257 -12.058
  281   HD22  LEU  17          HD22      LEU  17   0.408  -9.838 -13.413
  282   HD23  LEU  17          HD23      LEU  17  -0.260 -10.019 -11.790
  283    H    VAL  18           H        VAL  18   0.583  -6.295  -7.907
  284    HA   VAL  18           HA       VAL  18   2.062  -7.777  -5.907
  285    HB   VAL  18           HB       VAL  18   0.693  -5.072  -5.855
  286   HG11  VAL  18          HG11      VAL  18   2.289  -6.348  -3.584
  287   HG12  VAL  18          HG12      VAL  18   1.869  -4.628  -3.704
  288   HG13  VAL  18          HG13      VAL  18   0.589  -5.822  -3.534
  289   HG21  VAL  18          HG21      VAL  18   3.637  -5.915  -5.714
  290   HG22  VAL  18          HG22      VAL  18   2.830  -5.337  -7.178
  291   HG23  VAL  18          HG23      VAL  18   3.027  -4.251  -5.790
  292    H    CYS  19           H        CYS  19  -1.396  -6.819  -6.143
  293    HA   CYS  19           HA       CYS  19  -1.996  -8.031  -3.556
  294    HB2  CYS  19           HB2      CYS  19  -3.837  -6.925  -5.705
  295    HB3  CYS  19           HB3      CYS  19  -4.316  -7.377  -4.070
  296    H    GLY  20           H        GLY  20  -2.269  -9.156  -6.889
  297    HA2  GLY  20           HA2      GLY  20  -2.801 -11.228  -7.771
  298    HA3  GLY  20           HA3      GLY  20  -2.554 -11.907  -6.158
  299    H    GLU  21           H        GLU  21  -4.268 -13.146  -5.760
  300    HA   GLU  21           HA       GLU  21  -6.854 -12.880  -6.886
  301    HB2  GLU  21           HB2      GLU  21  -5.923 -14.409  -4.419
  302    HB3  GLU  21           HB3      GLU  21  -7.474 -14.651  -5.209
  303    HG2  GLU  21           HG2      GLU  21  -4.759 -15.139  -6.512
  304    HG3  GLU  21           HG3      GLU  21  -5.789 -16.366  -5.796
  305    H    ARG  22           H        ARG  22  -5.581 -11.226  -4.106
  306    HA   ARG  22           HA       ARG  22  -7.983 -11.056  -2.532
  307    HE   ARG  22           HE       ARG  22  -3.861 -11.232  -2.514
  308    HB2  ARG  22           HB2      ARG  22  -5.341  -9.565  -2.550
  309    HB3  ARG  22           HB3      ARG  22  -6.664  -9.031  -1.536
  310    HG2  ARG  22           HG2      ARG  22  -5.113 -10.443  -0.288
  311    HG3  ARG  22           HG3      ARG  22  -6.753 -11.072  -0.310
  312    HD2  ARG  22           HD2      ARG  22  -5.111 -12.861  -0.490
  313    HD3  ARG  22           HD3      ARG  22  -6.129 -12.796  -1.928
  314   HH11  ARG  22          HH21      ARG  22  -4.387 -14.656  -1.740
  315   HH12  ARG  22          HH22      ARG  22  -2.999 -15.152  -2.659
  316   HH21  ARG  22          HH11      ARG  22  -2.147 -11.920  -3.648
  317   HH22  ARG  22          HH12      ARG  22  -1.710 -13.610  -3.714
  318    H    GLY  23           H        GLY  23  -6.568  -8.849  -4.960
  319    HA2  GLY  23           HA2      GLY  23  -7.622  -7.088  -6.144
  320    HA3  GLY  23           HA3      GLY  23  -9.048  -7.207  -5.101
  321    H    PHE  24           H        PHE  24  -8.535  -4.792  -5.452
  322    HA   PHE  24           HA       PHE  24  -7.090  -3.658  -3.146
  323    HD1  PHE  24           HD1      PHE  24  -6.998  -1.073  -6.528
  324    HD2  PHE  24           HD2      PHE  24  -5.665  -5.164  -6.838
  325    HE1  PHE  24           HE1      PHE  24  -7.358  -1.014  -8.984
  326    HE2  PHE  24           HE2      PHE  24  -6.069  -5.098  -9.285
  327    HZ   PHE  24           HZ       PHE  24  -6.903  -3.024 -10.359
  328    HB2  PHE  24           HB2      PHE  24  -5.714  -2.228  -4.659
  329    HB3  PHE  24           HB3      PHE  24  -5.338  -3.925  -4.792
  330    H    PHE  25           H        PHE  25  -7.251  -1.306  -3.025
  331    HA   PHE  25           HA       PHE  25  -9.664  -0.162  -4.382
  332    HD1  PHE  25           HD2      PHE  25 -11.720   0.781  -3.705
  333    HD2  PHE  25           HD1      PHE  25  -8.973   2.722  -1.005
  334    HE1  PHE  25           HE2      PHE  25 -13.094   2.844  -3.790
  335    HE2  PHE  25           HE1      PHE  25 -10.347   4.786  -1.093
  336    HZ   PHE  25           HZ       PHE  25 -12.407   4.857  -2.491
  337    HB2  PHE  25           HB2      PHE  25 -10.001  -0.463  -1.954
  338    HB3  PHE  25           HB3      PHE  25  -8.560   0.496  -1.627
  339    H    TYR  26           H        TYR  26  -8.950   0.992  -6.014
  340    HA   TYR  26           HA       TYR  26  -6.305   2.157  -6.189
  341    HD1  TYR  26           HD2      TYR  26  -5.231   1.493  -8.770
  342    HD2  TYR  26           HD1      TYR  26  -8.283   4.520  -9.076
  343    HE1  TYR  26           HE2      TYR  26  -3.908   2.646 -10.525
  344    HE2  TYR  26           HE1      TYR  26  -6.943   5.693 -10.821
  345    HH   TYR  26           HH       TYR  26  -3.811   4.403 -12.011
  346    HB2  TYR  26           HB2      TYR  26  -7.571   1.100  -8.029
  347    HB3  TYR  26           HB3      TYR  26  -8.747   2.398  -7.981
  348    H    THR  27           H        THR  27  -6.024   3.726  -4.667
  349    HA   THR  27           HA       THR  27  -8.093   5.734  -4.142
  350    HB   THR  27           HB       THR  27  -5.455   5.317  -2.715
  351    HG1  THR  27           HG1      THR  27  -6.950   3.540  -2.662
  352   HG21  THR  27          HG21      THR  27  -6.480   7.577  -2.308
  353   HG22  THR  27          HG22      THR  27  -6.589   6.529  -0.880
  354   HG23  THR  27          HG23      THR  27  -8.013   6.787  -1.908
  355    HA   PRO  28           HA       PRO  28  -5.930   8.600  -6.888
  356    HB2  PRO  28           HB2      PRO  28  -7.763  10.592  -7.014
  357    HB3  PRO  28           HB3      PRO  28  -8.073   8.975  -7.702
  358    HG2  PRO  28           HG2      PRO  28  -8.906  10.003  -4.970
  359    HG3  PRO  28           HG3      PRO  28  -9.947   9.260  -6.224
  360    HD2  PRO  28           HD2      PRO  28  -8.894   7.795  -4.192
  361    HD3  PRO  28           HD3      PRO  28  -9.049   7.116  -5.840
  362    H    LYS  29           H        LYS  29  -5.799  11.287  -6.697
  363    HA   LYS  29           HA       LYS  29  -4.089  11.953  -4.541
  364    HB2  LYS  29           HB2      LYS  29  -4.070  13.161  -6.645
  365    HB3  LYS  29           HB3      LYS  29  -5.759  13.626  -6.438
  366    HG2  LYS  29           HG2      LYS  29  -4.337  15.515  -6.021
  367    HG3  LYS  29           HG3      LYS  29  -5.162  15.068  -4.531
  368    HD2  LYS  29           HD2      LYS  29  -3.084  13.893  -3.763
  369    HD3  LYS  29           HD3      LYS  29  -2.259  14.426  -5.237
  370    HE2  LYS  29           HE2      LYS  29  -3.500  16.257  -3.124
  371    HE3  LYS  29           HE3      LYS  29  -1.796  15.796  -3.179
  372    HZ1  LYS  29           HZ1      LYS  29  -3.195  17.327  -5.303
  373    HZ2  LYS  29           HZ2      LYS  29  -1.622  16.871  -5.350
  374    HZ3  LYS  29           HZ3      LYS  29  -2.134  17.940  -4.226
  375    H    THR  30           H        THR  30  -4.488  12.268  -2.446
  376    HA   THR  30           HA       THR  30  -7.231  13.044  -1.506
  377    HB   THR  30           HB       THR  30  -6.426  12.298   0.742
  378    HG1  THR  30           HG1      THR  30  -4.198  12.362   0.170
  379   HG21  THR  30          HG21      THR  30  -6.726   9.908   0.282
  380   HG22  THR  30          HG22      THR  30  -6.433  10.181  -1.455
  381   HG23  THR  30          HG23      THR  30  -7.867  10.871  -0.670
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -5.785   9.589  -2.440
    2    H2   GLY   1           H2       GLY   1  -5.057   8.553  -3.485
    3    H3   GLY   1           H3       GLY   1  -4.407  10.032  -3.217
    4    HA2  GLY   1           HA2      GLY   1  -4.010   9.474  -0.883
    5    HA3  GLY   1           HA3      GLY   1  -4.553   7.830  -1.248
    6    H    ILE   2           H        ILE   2  -3.065   6.397  -2.272
    7    HA   ILE   2           HA       ILE   2  -0.283   7.348  -2.379
    8    HB   ILE   2           HB       ILE   2   0.383   5.095  -2.703
    9   HG12  ILE   2          HG12      ILE   2  -2.539   4.318  -3.027
   10   HG13  ILE   2          HG13      ILE   2  -1.314   4.310  -4.291
   11   HG21  ILE   2          HG21      ILE   2  -1.831   5.136  -0.607
   12   HG22  ILE   2          HG22      ILE   2  -0.342   4.173  -0.595
   13   HG23  ILE   2          HG23      ILE   2  -0.242   5.921  -0.436
   14   HD11  ILE   2          HD11      ILE   2  -0.010   2.607  -2.996
   15   HD12  ILE   2          HD12      ILE   2  -1.368   2.505  -1.852
   16   HD13  ILE   2          HD13      ILE   2  -1.611   2.052  -3.543
   17    H    VAL   3           H        VAL   3  -2.704   6.913  -4.803
   18    HA   VAL   3           HA       VAL   3  -1.098   5.968  -6.930
   19    HB   VAL   3           HB       VAL   3  -3.561   7.721  -7.178
   20   HG11  VAL   3          HG11      VAL   3  -2.424   7.479  -9.343
   21   HG12  VAL   3          HG12      VAL   3  -2.396   5.719  -9.157
   22   HG13  VAL   3          HG13      VAL   3  -3.937   6.580  -9.333
   23   HG21  VAL   3          HG21      VAL   3  -4.067   5.780  -5.737
   24   HG22  VAL   3          HG22      VAL   3  -4.878   5.645  -7.298
   25   HG23  VAL   3          HG23      VAL   3  -3.411   4.686  -6.966
   26    H    GLU   4           H        GLU   4  -1.999   9.318  -6.069
   27    HA   GLU   4           HA       GLU   4  -0.504  10.599  -8.159
   28    HB2  GLU   4           HB2      GLU   4  -0.993  12.634  -6.987
   29    HB3  GLU   4           HB3      GLU   4  -2.438  11.656  -7.136
   30    HG2  GLU   4           HG2      GLU   4  -0.827  11.670  -4.550
   31    HG3  GLU   4           HG3      GLU   4  -1.932  12.965  -4.949
   32    H    GLN   5           H        GLN   5   0.401   9.467  -4.934
   33    HA   GLN   5           HA       GLN   5   2.890  10.984  -4.785
   34    HB2  GLN   5           HB2      GLN   5   1.603  10.174  -2.797
   35    HB3  GLN   5           HB3      GLN   5   1.982   8.508  -3.242
   36    HG2  GLN   5           HG2      GLN   5   4.392   8.950  -2.968
   37    HG3  GLN   5           HG3      GLN   5   4.059  10.645  -2.611
   38   HE21  GLN   5          HE21      GLN   5   2.941  11.166  -0.543
   39   HE22  GLN   5          HE22      GLN   5   3.007   9.993   0.763
   40    H    CYS   6           H        CYS   6   1.996   7.580  -5.570
   41    HA   CYS   6           HA       CYS   6   4.557   6.669  -6.429
   42    HB2  CYS   6           HB2      CYS   6   1.704   6.012  -7.239
   43    HB3  CYS   6           HB3      CYS   6   3.089   5.125  -7.855
   44    H    CYS   7           H        CYS   7   2.304   8.814  -8.000
   45    HA   CYS   7           HA       CYS   7   3.465   8.467 -10.681
   46    HB2  CYS   7           HB2      CYS   7   1.026   8.908 -10.123
   47    HB3  CYS   7           HB3      CYS   7   1.480  10.564  -9.722
   48    H    THR   8           H        THR   8   3.316  11.107  -8.257
   49    HA   THR   8           HA       THR   8   5.138  12.844  -9.738
   50    HB   THR   8           HB       THR   8   4.915  14.341  -7.763
   51    HG1  THR   8           HG1      THR   8   2.985  12.485  -6.832
   52   HG21  THR   8          HG21      THR   8   2.262  13.293  -8.870
   53   HG22  THR   8          HG22      THR   8   3.320  14.492  -9.638
   54   HG23  THR   8          HG23      THR   8   2.539  14.867  -8.098
   55    H    SER   9           H        SER   9   5.605  10.485  -7.200
   56    HA   SER   9           HA       SER   9   8.545  10.935  -7.349
   57    HG   SER   9           HG       SER   9   9.154  11.279  -3.940
   58    HB2  SER   9           HB2      SER   9   7.544  12.111  -5.321
   59    HB3  SER   9           HB3      SER   9   7.082  10.507  -4.730
   60    H    ILE  10           H        ILE  10   9.406   8.982  -5.728
   61    HA   ILE  10           HA       ILE  10   8.516   6.531  -7.157
   62    HB   ILE  10           HB       ILE  10  10.391   5.429  -6.007
   63   HG12  ILE  10          HG12      ILE  10  11.249   8.213  -5.093
   64   HG13  ILE  10          HG13      ILE  10  10.581   6.972  -4.031
   65   HG21  ILE  10          HG21      ILE  10  11.203   7.858  -7.625
   66   HG22  ILE  10          HG22      ILE  10  12.090   6.324  -7.492
   67   HG23  ILE  10          HG23      ILE  10  10.524   6.364  -8.299
   68   HD11  ILE  10          HD11      ILE  10  13.208   6.793  -5.552
   69   HD12  ILE  10          HD12      ILE  10  12.973   6.960  -3.806
   70   HD13  ILE  10          HD13      ILE  10  12.482   5.465  -4.618
   71    H    CYS  11           H        CYS  11   7.587   4.773  -6.274
   72    HA   CYS  11           HA       CYS  11   7.271   4.610  -3.336
   73    HB2  CYS  11           HB2      CYS  11   4.980   4.135  -3.357
   74    HB3  CYS  11           HB3      CYS  11   5.161   5.572  -4.345
   75    H    SER  12           H        SER  12   6.550   2.352  -2.710
   76    HA   SER  12           HA       SER  12   8.133   0.399  -4.333
   77    HG   SER  12           HG       SER  12   7.818   0.076  -0.306
   78    HB2  SER  12           HB2      SER  12   8.613  -0.714  -2.236
   79    HB3  SER  12           HB3      SER  12   9.071   0.988  -2.118
   80    H    LEU  13           H        LEU  13   7.581  -1.891  -4.059
   81    HA   LEU  13           HA       LEU  13   4.825  -2.457  -4.663
   82    HG   LEU  13           HG       LEU  13   7.846  -3.234  -5.820
   83    HB2  LEU  13           HB2      LEU  13   7.081  -4.313  -3.773
   84    HB3  LEU  13           HB3      LEU  13   5.579  -4.804  -4.519
   85   HD11  LEU  13          HD11      LEU  13   8.014  -5.204  -7.274
   86   HD12  LEU  13          HD12      LEU  13   6.662  -5.977  -6.420
   87   HD13  LEU  13          HD13      LEU  13   8.189  -5.666  -5.565
   88   HD21  LEU  13          HD21      LEU  13   5.755  -2.318  -6.732
   89   HD22  LEU  13          HD22      LEU  13   5.160  -3.960  -7.061
   90   HD23  LEU  13          HD23      LEU  13   6.571  -3.324  -7.929
   91    H    TYR  14           H        TYR  14   6.674  -2.686  -1.582
   92    HA   TYR  14           HA       TYR  14   4.481  -3.849  -0.147
   93    HD1  TYR  14           HD2      TYR  14   5.678  -0.993   2.559
   94    HD2  TYR  14           HD1      TYR  14   8.727  -2.655   0.003
   95    HE1  TYR  14           HE2      TYR  14   7.214   0.851   3.195
   96    HE2  TYR  14           HE1      TYR  14  10.279  -0.819   0.658
   97    HH   TYR  14           HH       TYR  14  10.566   1.086   1.917
   98    HB2  TYR  14           HB2      TYR  14   5.696  -3.411   1.811
   99    HB3  TYR  14           HB3      TYR  14   6.808  -3.929   0.554
  100    H    GLN  15           H        GLN  15   5.318  -0.531  -0.887
  101    HA   GLN  15           HA       GLN  15   3.191   0.628   0.748
  102    HB2  GLN  15           HB2      GLN  15   4.888   1.723  -1.522
  103    HB3  GLN  15           HB3      GLN  15   3.566   2.653  -0.820
  104    HG2  GLN  15           HG2      GLN  15   4.563   2.597   1.393
  105    HG3  GLN  15           HG3      GLN  15   5.844   1.517   0.839
  106   HE21  GLN  15          HE21      GLN  15   7.478   2.360  -0.646
  107   HE22  GLN  15          HE22      GLN  15   7.779   4.105  -0.670
  108    H    LEU  16           H        LEU  16   3.317  -0.521  -2.674
  109    HA   LEU  16           HA       LEU  16   0.537   0.118  -3.210
  110    HG   LEU  16           HG       LEU  16   2.984   0.313  -5.065
  111    HB2  LEU  16           HB2      LEU  16   2.407  -2.009  -4.336
  112    HB3  LEU  16           HB3      LEU  16   0.772  -1.776  -4.908
  113   HD11  LEU  16          HD11      LEU  16   3.349  -1.623  -6.547
  114   HD12  LEU  16          HD12      LEU  16   2.903  -0.189  -7.476
  115   HD13  LEU  16          HD13      LEU  16   1.698  -1.458  -7.191
  116   HD21  LEU  16          HD21      LEU  16   0.807   1.435  -4.936
  117   HD22  LEU  16          HD22      LEU  16   0.138   0.342  -6.171
  118   HD23  LEU  16          HD23      LEU  16   1.405   1.508  -6.594
  119    H    GLU  17           H        GLU  17   2.085  -2.775  -1.754
  120    HA   GLU  17           HA       GLU  17  -0.251  -4.289  -1.620
  121    HB2  GLU  17           HB2      GLU  17   2.051  -5.142  -1.258
  122    HB3  GLU  17           HB3      GLU  17   2.037  -4.459   0.374
  123    HG2  GLU  17           HG2      GLU  17   0.292  -5.927   1.089
  124    HG3  GLU  17           HG3      GLU  17  -0.167  -6.319  -0.572
  125    H    ASN  18           H        ASN  18   0.628  -1.616   0.470
  126    HA   ASN  18           HA       ASN  18  -1.121  -2.067   2.654
  127    HB2  ASN  18           HB2      ASN  18   0.636  -0.301   2.476
  128    HB3  ASN  18           HB3      ASN  18  -0.387   0.563   1.313
  129   HD21  ASN  18          HD21      ASN  18  -0.403  -0.721   4.697
  130   HD22  ASN  18          HD22      ASN  18  -1.474   0.530   5.301
  131    H    TYR  19           H        TYR  19  -1.897  -1.153  -0.671
  132    HA   TYR  19           HA       TYR  19  -4.723  -0.506  -0.017
  133    HD1  TYR  19           HD2      TYR  19  -3.446   1.536   0.320
  134    HD2  TYR  19           HD1      TYR  19  -5.002   1.700  -3.694
  135    HE1  TYR  19           HE2      TYR  19  -3.991   3.936   0.624
  136    HE2  TYR  19           HE1      TYR  19  -5.559   4.100  -3.382
  137    HH   TYR  19           HH       TYR  19  -5.596   5.864  -1.947
  138    HB2  TYR  19           HB2      TYR  19  -2.913  -0.120  -2.386
  139    HB3  TYR  19           HB3      TYR  19  -4.607  -0.397  -2.698
  140    H    CYS  20           H        CYS  20  -2.984  -3.396  -0.662
  141    HA   CYS  20           HA       CYS  20  -5.139  -4.806  -2.083
  142    HB2  CYS  20           HB2      CYS  20  -2.866  -5.905  -0.411
  143    HB3  CYS  20           HB3      CYS  20  -3.906  -6.836  -1.483
  144    H    ASN  21           H        ASN  21  -6.453  -6.509  -1.133
  145    HA   ASN  21           HA       ASN  21  -7.325  -6.019   1.636
  146    HB2  ASN  21           HB2      ASN  21  -9.117  -7.411   1.249
  147    HB3  ASN  21           HB3      ASN  21  -8.879  -6.654  -0.313
  148   HD21  ASN  21          HD21      ASN  21  -7.786  -9.582   1.465
  149   HD22  ASN  21          HD22      ASN  21  -8.138 -10.693   0.123
  150    HA   PHE   1           HA       PHE   1  10.874  -5.702  -3.125
  151    HD1  PHE   1           HD2      PHE   1   8.577  -5.637  -2.148
  152    HD2  PHE   1           HD1      PHE   1  11.171  -4.739   1.191
  153    HE1  PHE   1           HE2      PHE   1   7.089  -6.928  -0.641
  154    HE2  PHE   1           HE1      PHE   1   9.681  -6.046   2.684
  155    HZ   PHE   1           HZ       PHE   1   7.646  -7.141   1.776
  156    H1   PHE   1           H1       PHE   1  13.037  -6.612  -2.687
  157    H2   PHE   1           H2       PHE   1  12.122  -6.677  -1.330
  158    H3   PHE   1           H3       PHE   1  13.302  -5.550  -1.474
  159    HB2  PHE   1           HB2      PHE   1  11.615  -3.740  -0.909
  160    HB3  PHE   1           HB3      PHE   1  10.244  -3.546  -1.985
  161    H    VAL   2           H        VAL   2  10.550  -3.295  -4.066
  162    HA   VAL   2           HA       VAL   2  12.969  -1.990  -5.016
  163    HB   VAL   2           HB       VAL   2  12.786  -3.917  -6.566
  164   HG11  VAL   2          HG11      VAL   2  10.996  -4.063  -8.232
  165   HG12  VAL   2          HG12      VAL   2  10.335  -4.236  -6.601
  166   HG13  VAL   2          HG13      VAL   2  10.145  -2.701  -7.484
  167   HG21  VAL   2          HG21      VAL   2  13.760  -1.729  -7.307
  168   HG22  VAL   2          HG22      VAL   2  13.102  -2.723  -8.618
  169   HG23  VAL   2          HG23      VAL   2  12.191  -1.323  -8.035
  170    H    ASN   3           H        ASN   3  12.483   0.041  -6.065
  171    HA   ASN   3           HA       ASN   3   9.693   0.985  -5.752
  172    HB2  ASN   3           HB2      ASN   3  10.659   3.188  -4.944
  173    HB3  ASN   3           HB3      ASN   3  10.724   1.835  -3.826
  174   HD21  ASN   3          HD21      ASN   3  13.016   2.800  -6.527
  175   HD22  ASN   3          HD22      ASN   3  14.384   2.891  -5.439
  176    H    GLN   4           H        GLN   4   8.900   2.505  -7.130
  177    HA   GLN   4           HA       GLN   4  10.466   3.306  -9.530
  178    HB2  GLN   4           HB2      GLN   4   8.008   1.476  -9.499
  179    HB3  GLN   4           HB3      GLN   4   8.616   2.280 -10.939
  180    HG2  GLN   4           HG2      GLN   4  10.764   1.046 -10.738
  181    HG3  GLN   4           HG3      GLN   4  10.140   0.197  -9.318
  182   HE21  GLN   4          HE21      GLN   4   9.439   0.726 -12.843
  183   HE22  GLN   4          HE22      GLN   4   8.661  -0.836 -13.026
  184    H    HIS   5           H        HIS   5   9.148   4.725 -10.960
  185    HA   HIS   5           HA       HIS   5   6.909   6.195  -9.652
  186    HD1  HIS   5           HD1      HIS   5   6.908   9.596 -10.687
  187    HD2  HIS   5           HD2      HIS   5  10.504   7.407 -10.591
  188    HE1  HIS   5           HE1      HIS   5   8.683  11.167  -9.769
  189    HB2  HIS   5           HB2      HIS   5   8.404   6.559 -12.277
  190    HB3  HIS   5           HB3      HIS   5   6.859   7.320 -11.961
  191    H    LEU   6           H        LEU   6   4.846   5.676 -10.130
  192    HA   LEU   6           HA       LEU   6   4.083   3.907 -12.374
  193    HG   LEU   6           HG       LEU   6   5.802   2.323 -10.422
  194    HB2  LEU   6           HB2      LEU   6   3.708   3.306  -9.403
  195    HB3  LEU   6           HB3      LEU   6   2.760   2.523 -10.667
  196   HD11  LEU   6          HD11      LEU   6   5.396   0.059  -9.558
  197   HD12  LEU   6          HD12      LEU   6   3.644   0.356  -9.603
  198   HD13  LEU   6          HD13      LEU   6   4.681   1.289  -8.500
  199   HD21  LEU   6          HD21      LEU   6   4.994   1.910 -12.741
  200   HD22  LEU   6          HD22      LEU   6   3.802   0.757 -12.125
  201   HD23  LEU   6          HD23      LEU   6   5.538   0.405 -11.986
  202    H    CYS   7           H        CYS   7   2.058   4.469 -13.145
  203    HA   CYS   7           HA       CYS   7   0.298   6.180 -11.512
  204    HB2  CYS   7           HB2      CYS   7   2.189   7.514 -12.654
  205    HB3  CYS   7           HB3      CYS   7   1.332   7.215 -14.160
  206    H    GLY   8           H        GLY   8  -1.710   6.559 -12.399
  207    HA2  GLY   8           HA2      GLY   8  -3.733   5.905 -13.361
  208    HA3  GLY   8           HA3      GLY   8  -2.785   5.938 -14.843
  209    H    SER   9           H        SER   9  -3.451   4.243 -15.990
  210    HA   SER   9           HA       SER   9  -4.453   1.777 -15.056
  211    HG   SER   9           HG       SER   9  -5.160   2.807 -18.432
  212    HB2  SER   9           HB2      SER   9  -3.022   2.318 -17.682
  213    HB3  SER   9           HB3      SER   9  -4.174   1.011 -17.342
  214    H    HIS  10           H        HIS  10  -1.057   2.705 -15.774
  215    HA   HIS  10           HA       HIS  10  -0.055  -0.016 -15.537
  216    HD1  HIS  10           HD1      HIS  10   0.154  -0.190 -17.804
  217    HD2  HIS  10           HD2      HIS  10   2.123   3.541 -17.852
  218    HE1  HIS  10           HE1      HIS  10   0.367   0.481 -20.247
  219    HB2  HIS  10           HB2      HIS  10   1.321   2.694 -15.469
  220    HB3  HIS  10           HB3      HIS  10   2.159   1.134 -15.519
  221    H    LEU  11           H        LEU  11  -0.549   2.624 -13.177
  222    HA   LEU  11           HA       LEU  11   0.656   1.139 -10.980
  223    HG   LEU  11           HG       LEU  11   0.048   1.815  -8.808
  224    HB2  LEU  11           HB2      LEU  11   0.313   3.547 -10.866
  225    HB3  LEU  11           HB3      LEU  11  -1.436   3.366 -10.923
  226   HD11  LEU  11          HD11      LEU  11   0.112   3.820  -7.314
  227   HD12  LEU  11          HD12      LEU  11  -0.270   4.839  -8.733
  228   HD13  LEU  11          HD13      LEU  11   1.234   3.892  -8.680
  229   HD21  LEU  11          HD21      LEU  11  -2.529   3.433  -8.753
  230   HD22  LEU  11          HD22      LEU  11  -1.880   2.495  -7.397
  231   HD23  LEU  11          HD23      LEU  11  -2.415   1.669  -8.860
  232    H    VAL  12           H        VAL  12  -2.695   1.415 -12.234
  233    HA   VAL  12           HA       VAL  12  -3.845  -0.385 -10.347
  234    HB   VAL  12           HB       VAL  12  -4.693   0.260 -13.198
  235   HG11  VAL  12          HG11      VAL  12  -5.704  -1.918 -12.677
  236   HG12  VAL  12          HG12      VAL  12  -6.236  -1.317 -11.094
  237   HG13  VAL  12          HG13      VAL  12  -6.932  -0.657 -12.585
  238   HG21  VAL  12          HG21      VAL  12  -5.823   1.118 -10.489
  239   HG22  VAL  12          HG22      VAL  12  -4.804   2.128 -11.534
  240   HG23  VAL  12          HG23      VAL  12  -6.407   1.634 -12.083
  241    H    GLU  13           H        GLU  13  -2.229  -1.149 -13.454
  242    HA   GLU  13           HA       GLU  13  -2.534  -3.990 -13.341
  243    HB2  GLU  13           HB2      GLU  13  -0.462  -2.151 -14.594
  244    HB3  GLU  13           HB3      GLU  13  -0.385  -3.898 -14.738
  245    HG2  GLU  13           HG2      GLU  13  -2.562  -3.980 -15.840
  246    HG3  GLU  13           HG3      GLU  13  -2.755  -2.238 -15.685
  247    H    ALA  14           H        ALA  14   0.180  -1.872 -12.151
  248    HA   ALA  14           HA       ALA  14   1.749  -4.010 -11.094
  249    HB1  ALA  14           HB1      ALA  14   2.929  -2.200  -9.892
  250    HB2  ALA  14           HB2      ALA  14   2.602  -1.739 -11.573
  251    HB3  ALA  14           HB3      ALA  14   1.603  -1.074 -10.259
  252    H    LEU  15           H        LEU  15  -0.699  -1.960  -9.496
  253    HA   LEU  15           HA       LEU  15  -0.557  -3.040  -6.885
  254    HG   LEU  15           HG       LEU  15  -3.814  -2.807  -6.462
  255    HB2  LEU  15           HB2      LEU  15  -1.662  -0.933  -7.523
  256    HB3  LEU  15           HB3      LEU  15  -2.855  -1.814  -8.469
  257   HD11  LEU  15          HD11      LEU  15  -1.828  -2.983  -5.004
  258   HD12  LEU  15          HD12      LEU  15  -3.107  -2.069  -4.203
  259   HD13  LEU  15          HD13      LEU  15  -1.722  -1.208  -4.917
  260   HD21  LEU  15          HD21      LEU  15  -3.410   0.218  -6.241
  261   HD22  LEU  15          HD22      LEU  15  -4.719  -0.707  -5.482
  262   HD23  LEU  15          HD23      LEU  15  -4.616  -0.608  -7.247
  263    H    TYR  16           H        TYR  16  -2.789  -3.972  -9.584
  264    HA   TYR  16           HA       TYR  16  -3.951  -6.219  -8.322
  265    HD1  TYR  16           HD2      TYR  16  -5.878  -7.581  -9.246
  266    HD2  TYR  16           HD1      TYR  16  -3.167  -7.506 -12.607
  267    HE1  TYR  16           HE2      TYR  16  -6.635  -9.851  -9.904
  268    HE2  TYR  16           HE1      TYR  16  -3.937  -9.772 -13.276
  269    HH   TYR  16           HH       TYR  16  -6.422 -11.580 -11.409
  270    HB2  TYR  16           HB2      TYR  16  -4.828  -5.332 -10.395
  271    HB3  TYR  16           HB3      TYR  16  -3.317  -5.620 -11.233
  272    H    LEU  17           H        LEU  17  -0.895  -6.066 -10.180
  273    HA   LEU  17           HA       LEU  17  -0.328  -8.896  -9.954
  274    HG   LEU  17           HG       LEU  17  -0.363  -7.272 -12.353
  275    HB2  LEU  17           HB2      LEU  17   1.384  -6.476 -10.636
  276    HB3  LEU  17           HB3      LEU  17   2.018  -8.110 -10.643
  277   HD11  LEU  17          HD11      LEU  17   2.586  -7.458 -13.111
  278   HD12  LEU  17          HD12      LEU  17   1.637  -5.963 -12.971
  279   HD13  LEU  17          HD13      LEU  17   1.235  -7.141 -14.223
  280   HD21  LEU  17          HD21      LEU  17   1.462  -9.707 -12.456
  281   HD22  LEU  17          HD22      LEU  17   0.224  -9.305 -13.657
  282   HD23  LEU  17          HD23      LEU  17  -0.258  -9.695 -12.006
  283    H    VAL  18           H        VAL  18   0.604  -6.146  -7.937
  284    HA   VAL  18           HA       VAL  18   2.225  -7.637  -6.078
  285    HB   VAL  18           HB       VAL  18   0.655  -5.053  -5.814
  286   HG11  VAL  18          HG11      VAL  18   2.422  -6.298  -3.663
  287   HG12  VAL  18          HG12      VAL  18   1.810  -4.627  -3.680
  288   HG13  VAL  18          HG13      VAL  18   0.680  -5.961  -3.537
  289   HG21  VAL  18          HG21      VAL  18   2.787  -5.097  -7.187
  290   HG22  VAL  18          HG22      VAL  18   2.901  -4.045  -5.768
  291   HG23  VAL  18          HG23      VAL  18   3.657  -5.654  -5.755
  292    H    CYS  19           H        CYS  19  -1.295  -6.892  -6.104
  293    HA   CYS  19           HA       CYS  19  -1.805  -8.310  -3.646
  294    HB2  CYS  19           HB2      CYS  19  -3.772  -7.616  -5.849
  295    HB3  CYS  19           HB3      CYS  19  -4.149  -8.004  -4.175
  296    H    GLY  20           H        GLY  20  -1.778  -9.374  -7.015
  297    HA2  GLY  20           HA2      GLY  20  -1.640 -11.522  -7.899
  298    HA3  GLY  20           HA3      GLY  20  -1.573 -12.172  -6.247
  299    H    GLU  21           H        GLU  21  -3.183 -13.535  -5.863
  300    HA   GLU  21           HA       GLU  21  -5.705 -13.611  -7.219
  301    HB2  GLU  21           HB2      GLU  21  -4.807 -14.829  -4.570
  302    HB3  GLU  21           HB3      GLU  21  -6.319 -15.188  -5.382
  303    HG2  GLU  21           HG2      GLU  21  -4.858 -16.967  -5.895
  304    HG3  GLU  21           HG3      GLU  21  -5.076 -16.030  -7.368
  305    H    ARG  22           H        ARG  22  -4.612 -11.666  -4.516
  306    HA   ARG  22           HA       ARG  22  -7.259 -11.215  -3.364
  307    HE   ARG  22           HE       ARG  22  -4.135  -9.245   0.355
  308    HB2  ARG  22           HB2      ARG  22  -4.710  -9.660  -2.806
  309    HB3  ARG  22           HB3      ARG  22  -6.166  -9.761  -1.821
  310    HG2  ARG  22           HG2      ARG  22  -5.688 -12.319  -1.696
  311    HG3  ARG  22           HG3      ARG  22  -4.080 -11.914  -2.303
  312    HD2  ARG  22           HD2      ARG  22  -5.390 -11.105   0.305
  313    HD3  ARG  22           HD3      ARG  22  -3.945 -12.080   0.086
  314   HH11  ARG  22          HH21      ARG  22  -2.132 -11.531  -1.490
  315   HH12  ARG  22          HH22      ARG  22  -0.707 -10.543  -1.277
  316   HH21  ARG  22          HH11      ARG  22  -2.284  -8.082   0.565
  317   HH22  ARG  22          HH12      ARG  22  -0.781  -8.639  -0.149
  318    H    GLY  23           H        GLY  23  -8.301  -9.177  -3.258
  319    HA2  GLY  23           HA2      GLY  23  -8.151  -7.481  -5.706
  320    HA3  GLY  23           HA3      GLY  23  -9.413  -7.466  -4.458
  321    H    PHE  24           H        PHE  24  -8.750  -5.096  -5.123
  322    HA   PHE  24           HA       PHE  24  -7.139  -4.019  -2.892
  323    HD1  PHE  24           HD1      PHE  24  -6.168  -5.475  -6.650
  324    HD2  PHE  24           HD2      PHE  24  -7.221  -1.317  -6.264
  325    HE1  PHE  24           HE1      PHE  24  -6.731  -5.381  -9.072
  326    HE2  PHE  24           HE2      PHE  24  -7.734  -1.218  -8.693
  327    HZ   PHE  24           HZ       PHE  24  -7.494  -3.255 -10.096
  328    HB2  PHE  24           HB2      PHE  24  -5.960  -2.502  -4.476
  329    HB3  PHE  24           HB3      PHE  24  -5.549  -4.184  -4.660
  330    H    PHE  25           H        PHE  25  -7.442  -1.958  -2.326
  331    HA   PHE  25           HA       PHE  25  -9.870  -0.459  -3.116
  332    HD1  PHE  25           HD2      PHE  25 -11.218   1.077  -1.566
  333    HD2  PHE  25           HD1      PHE  25  -7.146   2.160  -0.610
  334    HE1  PHE  25           HE2      PHE  25 -11.931   3.419  -1.163
  335    HE2  PHE  25           HE1      PHE  25  -7.863   4.491  -0.211
  336    HZ   PHE  25           HZ       PHE  25 -10.256   5.133  -0.477
  337    HB2  PHE  25           HB2      PHE  25  -9.303  -0.629  -0.737
  338    HB3  PHE  25           HB3      PHE  25  -7.662  -0.085  -1.044
  339    H    TYR  26           H        TYR  26  -9.556   1.803  -3.784
  340    HA   TYR  26           HA       TYR  26  -7.007   2.686  -4.899
  341    HD1  TYR  26           HD1      TYR  26  -5.683   2.141  -7.568
  342    HD2  TYR  26           HD2      TYR  26  -9.557   4.014  -7.930
  343    HE1  TYR  26           HE1      TYR  26  -4.803   3.624  -9.357
  344    HE2  TYR  26           HE2      TYR  26  -8.672   5.511  -9.704
  345    HH   TYR  26           HH       TYR  26  -6.845   6.093 -10.985
  346    HB2  TYR  26           HB2      TYR  26  -7.731   1.097  -6.636
  347    HB3  TYR  26           HB3      TYR  26  -9.290   1.886  -6.748
  348    H    THR  27           H        THR  27  -6.929   4.863  -5.114
  349    HA   THR  27           HA       THR  27  -9.068   6.524  -5.859
  350    HB   THR  27           HB       THR  27  -9.996   6.249  -3.671
  351    HG1  THR  27           HG1      THR  27 -10.148   8.447  -3.254
  352   HG21  THR  27          HG21      THR  27  -7.505   7.543  -2.487
  353   HG22  THR  27          HG22      THR  27  -7.879   5.811  -2.373
  354   HG23  THR  27          HG23      THR  27  -8.963   7.000  -1.640
  355    HA   PRO  28           HA       PRO  28  -5.232   8.801  -6.591
  356    HB2  PRO  28           HB2      PRO  28  -5.997  10.294  -8.701
  357    HB3  PRO  28           HB3      PRO  28  -6.029   8.515  -8.803
  358    HG2  PRO  28           HG2      PRO  28  -8.352  10.364  -8.120
  359    HG3  PRO  28           HG3      PRO  28  -8.288   9.102  -9.393
  360    HD2  PRO  28           HD2      PRO  28  -9.294   8.642  -6.864
  361    HD3  PRO  28           HD3      PRO  28  -8.480   7.380  -7.833
  362    H    LYS  29           H        LYS  29  -5.322  11.539  -7.413
  363    HA   LYS  29           HA       LYS  29  -5.433  12.924  -4.933
  364    HB2  LYS  29           HB2      LYS  29  -3.942  13.680  -6.613
  365    HB3  LYS  29           HB3      LYS  29  -5.216  13.796  -7.833
  366    HG2  LYS  29           HG2      LYS  29  -6.229  15.680  -6.772
  367    HG3  LYS  29           HG3      LYS  29  -5.185  15.521  -5.336
  368    HD2  LYS  29           HD2      LYS  29  -3.272  16.306  -6.526
  369    HD3  LYS  29           HD3      LYS  29  -4.059  16.093  -8.098
  370    HE2  LYS  29           HE2      LYS  29  -3.941  18.487  -7.382
  371    HE3  LYS  29           HE3      LYS  29  -5.575  17.913  -7.729
  372    HZ1  LYS  29           HZ1      LYS  29  -5.447  19.245  -5.687
  373    HZ2  LYS  29           HZ2      LYS  29  -4.454  18.143  -4.990
  374    HZ3  LYS  29           HZ3      LYS  29  -6.004  17.746  -5.369
  375    H    THR  30           H        THR  30  -6.857  14.148  -3.923
  376    HA   THR  30           HA       THR  30  -9.647  14.488  -4.760
  377    HB   THR  30           HB       THR  30  -8.141  15.773  -2.446
  378    HG1  THR  30           HG1      THR  30  -9.001  14.057  -1.246
  379   HG21  THR  30          HG21      THR  30 -10.421  15.926  -1.441
  380   HG22  THR  30          HG22      THR  30 -11.119  15.292  -2.944
  381   HG23  THR  30          HG23      THR  30 -10.301  16.871  -2.930
  Start of MODEL   21
    1    H1   GLY   1           H1       GLY   1   0.696   8.113   0.340
    2    H2   GLY   1           H2       GLY   1  -0.452   7.008   0.733
    3    H3   GLY   1           H3       GLY   1  -0.675   8.594   1.101
    4    HA2  GLY   1           HA2      GLY   1  -2.013   8.039  -0.807
    5    HA3  GLY   1           HA3      GLY   1  -0.728   9.181  -1.245
    6    H    ILE   2           H        ILE   2  -1.446   8.168  -3.355
    7    HA   ILE   2           HA       ILE   2   0.454   6.245  -4.371
    8    HB   ILE   2           HB       ILE   2  -0.811   4.605  -3.253
    9   HG12  ILE   2          HG12      ILE   2  -1.740   4.534  -6.136
   10   HG13  ILE   2          HG13      ILE   2  -0.083   4.198  -5.605
   11   HG21  ILE   2          HG21      ILE   2  -3.380   5.625  -4.513
   12   HG22  ILE   2          HG22      ILE   2  -3.204   4.240  -3.426
   13   HG23  ILE   2          HG23      ILE   2  -2.896   5.858  -2.822
   14   HD11  ILE   2          HD11      ILE   2  -2.574   2.615  -4.861
   15   HD12  ILE   2          HD12      ILE   2  -1.248   2.127  -5.925
   16   HD13  ILE   2          HD13      ILE   2  -0.949   2.335  -4.188
   17    H    VAL   3           H        VAL   3  -2.850   7.630  -5.156
   18    HA   VAL   3           HA       VAL   3  -2.226   7.246  -7.983
   19    HB   VAL   3           HB       VAL   3  -4.587   8.538  -6.588
   20   HG11  VAL   3          HG11      VAL   3  -4.207   8.096  -9.582
   21   HG12  VAL   3          HG12      VAL   3  -5.769   8.402  -8.814
   22   HG13  VAL   3          HG13      VAL   3  -4.522   9.645  -8.756
   23   HG21  VAL   3          HG21      VAL   3  -4.080   5.898  -8.041
   24   HG22  VAL   3          HG22      VAL   3  -4.494   6.128  -6.332
   25   HG23  VAL   3          HG23      VAL   3  -5.693   6.449  -7.587
   26    H    GLU   4           H        GLU   4  -1.744   9.979  -5.838
   27    HA   GLU   4           HA       GLU   4  -0.734  11.563  -8.187
   28    HB2  GLU   4           HB2      GLU   4  -1.228  12.434  -5.309
   29    HB3  GLU   4           HB3      GLU   4  -0.510  13.430  -6.565
   30    HG2  GLU   4           HG2      GLU   4  -3.333  12.275  -6.623
   31    HG3  GLU   4           HG3      GLU   4  -2.908  13.924  -6.174
   32    H    GLN   5           H        GLN   5   0.082  10.265  -4.930
   33    HA   GLN   5           HA       GLN   5   2.697  11.196  -4.791
   34    HB2  GLN   5           HB2      GLN   5   1.334  10.208  -2.943
   35    HB3  GLN   5           HB3      GLN   5   1.606   8.594  -3.639
   36    HG2  GLN   5           HG2      GLN   5   4.056   8.867  -3.323
   37    HG3  GLN   5           HG3      GLN   5   3.790  10.473  -2.631
   38   HE21  GLN   5          HE22      GLN   5   5.108   8.159  -1.350
   39   HE22  GLN   5          HE21      GLN   5   4.143   7.810   0.076
   40    H    CYS   6           H        CYS   6   1.683   8.010  -6.262
   41    HA   CYS   6           HA       CYS   6   4.535   7.379  -6.737
   42    HB2  CYS   6           HB2      CYS   6   2.593   5.799  -6.041
   43    HB3  CYS   6           HB3      CYS   6   2.216   5.753  -7.767
   44    H    CYS   7           H        CYS   7   2.013   8.940  -8.505
   45    HA   CYS   7           HA       CYS   7   3.196   8.584 -11.146
   46    HB2  CYS   7           HB2      CYS   7   1.154  10.488  -9.912
   47    HB3  CYS   7           HB3      CYS   7   1.629  10.581 -11.587
   48    H    THR   8           H        THR   8   3.279  11.084  -8.575
   49    HA   THR   8           HA       THR   8   5.076  12.839 -10.158
   50    HB   THR   8           HB       THR   8   4.751  14.439  -8.313
   51    HG1  THR   8           HG1      THR   8   2.869  12.578  -7.288
   52   HG21  THR   8          HG21      THR   8   3.183  14.443 -10.216
   53   HG22  THR   8          HG22      THR   8   2.380  14.913  -8.707
   54   HG23  THR   8          HG23      THR   8   2.127  13.286  -9.369
   55    H    SER   9           H        SER   9   5.223  10.881  -7.202
   56    HA   SER   9           HA       SER   9   8.196  11.203  -7.150
   57    HG   SER   9           HG       SER   9   8.364  11.487  -3.707
   58    HB2  SER   9           HB2      SER   9   6.938  12.311  -5.252
   59    HB3  SER   9           HB3      SER   9   6.389  10.698  -4.761
   60    H    ILE  10           H        ILE  10   8.480   9.108  -5.212
   61    HA   ILE  10           HA       ILE  10   8.037   6.694  -6.959
   62    HB   ILE  10           HB       ILE  10  10.176   7.432  -4.921
   63   HG12  ILE  10          HG12      ILE  10  10.281   6.774  -7.901
   64   HG13  ILE  10          HG13      ILE  10  10.411   8.385  -7.189
   65   HG21  ILE  10          HG21      ILE  10  11.224   5.246  -5.294
   66   HG22  ILE  10          HG22      ILE  10   9.636   5.043  -4.592
   67   HG23  ILE  10          HG23      ILE  10   9.866   4.758  -6.334
   68   HD11  ILE  10          HD11      ILE  10  12.607   7.702  -7.780
   69   HD12  ILE  10          HD12      ILE  10  12.512   7.653  -6.014
   70   HD13  ILE  10          HD13      ILE  10  12.446   6.145  -6.961
   71    H    CYS  11           H        CYS  11   7.121   4.847  -6.156
   72    HA   CYS  11           HA       CYS  11   6.674   4.663  -3.236
   73    HB2  CYS  11           HB2      CYS  11   4.499   3.812  -3.365
   74    HB3  CYS  11           HB3      CYS  11   4.496   5.324  -4.243
   75    H    SER  12           H        SER  12   6.458   2.531  -2.415
   76    HA   SER  12           HA       SER  12   8.047   0.528  -3.943
   77    HG   SER  12           HG       SER  12   7.541   0.455   0.088
   78    HB2  SER  12           HB2      SER  12   8.496  -0.519  -1.865
   79    HB3  SER  12           HB3      SER  12   8.735   1.217  -1.640
   80    H    LEU  13           H        LEU  13   7.485  -1.775  -3.809
   81    HA   LEU  13           HA       LEU  13   4.752  -2.379  -4.494
   82    HG   LEU  13           HG       LEU  13   7.798  -3.192  -5.539
   83    HB2  LEU  13           HB2      LEU  13   6.988  -4.201  -3.490
   84    HB3  LEU  13           HB3      LEU  13   5.493  -4.715  -4.253
   85   HD11  LEU  13          HD11      LEU  13   6.599  -5.937  -6.108
   86   HD12  LEU  13          HD12      LEU  13   8.104  -5.636  -5.213
   87   HD13  LEU  13          HD13      LEU  13   7.999  -5.206  -6.925
   88   HD21  LEU  13          HD21      LEU  13   5.784  -2.267  -6.544
   89   HD22  LEU  13          HD22      LEU  13   5.124  -3.905  -6.815
   90   HD23  LEU  13          HD23      LEU  13   6.571  -3.348  -7.688
   91    H    TYR  14           H        TYR  14   6.507  -2.430  -1.411
   92    HA   TYR  14           HA       TYR  14   4.450  -3.660   0.153
   93    HD1  TYR  14           HD1      TYR  14   5.916  -5.316   1.445
   94    HD2  TYR  14           HD2      TYR  14   8.693  -2.223   0.286
   95    HE1  TYR  14           HE1      TYR  14   7.700  -7.026   1.160
   96    HE2  TYR  14           HE2      TYR  14  10.476  -3.923  -0.009
   97    HH   TYR  14           HH       TYR  14  11.021  -6.153   0.108
   98    HB2  TYR  14           HB2      TYR  14   6.544  -1.617   1.005
   99    HB3  TYR  14           HB3      TYR  14   5.671  -2.709   2.052
  100    H    GLN  15           H        GLN  15   4.968  -0.317  -0.860
  101    HA   GLN  15           HA       GLN  15   2.732   0.775   0.711
  102    HB2  GLN  15           HB2      GLN  15   4.461   1.860  -1.537
  103    HB3  GLN  15           HB3      GLN  15   3.116   2.772  -0.847
  104    HG2  GLN  15           HG2      GLN  15   4.102   2.828   1.338
  105    HG3  GLN  15           HG3      GLN  15   5.360   1.684   0.901
  106   HE21  GLN  15          HE21      GLN  15   5.758   4.402   1.998
  107   HE22  GLN  15          HE22      GLN  15   6.695   5.244   0.771
  108    H    LEU  16           H        LEU  16   3.114  -0.419  -2.684
  109    HA   LEU  16           HA       LEU  16   0.371   0.101  -3.434
  110    HG   LEU  16           HG       LEU  16   3.171   0.062  -5.020
  111    HB2  LEU  16           HB2      LEU  16   2.274  -2.116  -4.299
  112    HB3  LEU  16           HB3      LEU  16   0.735  -1.767  -5.059
  113   HD11  LEU  16          HD11      LEU  16   3.228  -0.439  -7.428
  114   HD12  LEU  16          HD12      LEU  16   1.830  -1.523  -7.257
  115   HD13  LEU  16          HD13      LEU  16   3.379  -1.918  -6.478
  116   HD21  LEU  16          HD21      LEU  16   0.448   0.462  -6.317
  117   HD22  LEU  16          HD22      LEU  16   1.895   1.435  -6.655
  118   HD23  LEU  16          HD23      LEU  16   1.180   1.462  -5.046
  119    H    GLU  17           H        GLU  17   1.884  -2.696  -1.776
  120    HA   GLU  17           HA       GLU  17  -0.414  -4.290  -1.659
  121    HB2  GLU  17           HB2      GLU  17   1.891  -5.050  -1.208
  122    HB3  GLU  17           HB3      GLU  17   1.861  -4.213   0.354
  123    HG2  GLU  17           HG2      GLU  17   0.113  -5.673   1.174
  124    HG3  GLU  17           HG3      GLU  17  -0.182  -6.320  -0.443
  125    H    ASN  18           H        ASN  18   0.398  -1.524   0.379
  126    HA   ASN  18           HA       ASN  18  -1.382  -2.001   2.539
  127    HB2  ASN  18           HB2      ASN  18   0.429  -0.266   2.397
  128    HB3  ASN  18           HB3      ASN  18  -0.589   0.667   1.299
  129   HD21  ASN  18          HD22      ASN  18  -0.634  -0.815   4.608
  130   HD22  ASN  18          HD21      ASN  18  -1.641   0.445   5.298
  131    H    TYR  19           H        TYR  19  -2.122  -1.134  -0.775
  132    HA   TYR  19           HA       TYR  19  -4.894  -0.312  -0.118
  133    HD1  TYR  19           HD1      TYR  19  -5.559   2.132  -0.835
  134    HD2  TYR  19           HD2      TYR  19  -1.472   1.339  -1.929
  135    HE1  TYR  19           HE1      TYR  19  -4.886   4.324   0.123
  136    HE2  TYR  19           HE2      TYR  19  -0.780   3.528  -0.959
  137    HH   TYR  19           HH       TYR  19  -3.155   5.742   0.590
  138    HB2  TYR  19           HB2      TYR  19  -3.223  -0.167  -2.652
  139    HB3  TYR  19           HB3      TYR  19  -4.903   0.323  -2.525
  140    H    CYS  20           H        CYS  20  -3.395  -3.256  -0.659
  141    HA   CYS  20           HA       CYS  20  -5.464  -4.562  -2.245
  142    HB2  CYS  20           HB2      CYS  20  -3.641  -5.771  -0.152
  143    HB3  CYS  20           HB3      CYS  20  -4.575  -6.643  -1.367
  144    H    ASN  21           H        ASN  21  -7.188  -5.849  -1.483
  145    HA   ASN  21           HA       ASN  21  -8.463  -5.022   1.050
  146    HB2  ASN  21           HB2      ASN  21  -9.343  -6.872  -1.219
  147    HB3  ASN  21           HB3      ASN  21 -10.310  -6.532   0.214
  148   HD21  ASN  21          HD22      ASN  21 -10.552  -4.018   0.660
  149   HD22  ASN  21          HD21      ASN  21 -10.989  -3.113  -0.780
  150    HA   PHE   1           HA       PHE   1  14.753  -0.825  -3.294
  151    HD1  PHE   1           HD1      PHE   1  14.961  -2.174   0.738
  152    HD2  PHE   1           HD2      PHE   1  13.971  -4.939  -2.429
  153    HE1  PHE   1           HE1      PHE   1  13.967  -3.725   2.390
  154    HE2  PHE   1           HE2      PHE   1  13.011  -6.499  -0.765
  155    HZ   PHE   1           HZ       PHE   1  12.992  -5.889   1.654
  156    H1   PHE   1           H1       PHE   1  13.593  -0.626  -0.616
  157    H2   PHE   1           H2       PHE   1  13.593   0.531  -1.772
  158    H3   PHE   1           H3       PHE   1  15.014   0.052  -1.096
  159    HB2  PHE   1           HB2      PHE   1  15.371  -3.075  -2.890
  160    HB3  PHE   1           HB3      PHE   1  16.060  -2.104  -1.610
  161    H    VAL   2           H        VAL   2  13.652  -2.521  -4.660
  162    HA   VAL   2           HA       VAL   2  11.876  -2.735  -5.964
  163    HB   VAL   2           HB       VAL   2   9.992  -4.046  -5.186
  164   HG11  VAL   2          HG11      VAL   2  12.713  -5.133  -4.425
  165   HG12  VAL   2          HG12      VAL   2  11.274  -6.089  -4.832
  166   HG13  VAL   2          HG13      VAL   2  12.027  -5.058  -6.061
  167   HG21  VAL   2          HG21      VAL   2   9.791  -3.390  -2.786
  168   HG22  VAL   2          HG22      VAL   2   9.930  -5.132  -3.010
  169   HG23  VAL   2          HG23      VAL   2  11.338  -4.194  -2.460
  170    H    ASN   3           H        ASN   3  11.874  -0.450  -6.141
  171    HA   ASN   3           HA       ASN   3   9.240   0.732  -5.634
  172    HB2  ASN   3           HB2      ASN   3  10.225   2.740  -4.535
  173    HB3  ASN   3           HB3      ASN   3  10.382   1.273  -3.582
  174   HD21  ASN   3          HD21      ASN   3  12.297   3.442  -5.786
  175   HD22  ASN   3          HD22      ASN   3  13.813   3.047  -5.011
  176    H    GLN   4           H        GLN   4   8.628   2.420  -6.961
  177    HA   GLN   4           HA       GLN   4  10.371   3.244  -9.220
  178    HB2  GLN   4           HB2      GLN   4   7.934   1.402  -9.413
  179    HB3  GLN   4           HB3      GLN   4   8.538   2.305 -10.793
  180    HG2  GLN   4           HG2      GLN   4  10.134   0.166  -9.331
  181    HG3  GLN   4           HG3      GLN   4   9.220  -0.056 -10.808
  182   HE21  GLN   4          HE21      GLN   4  12.155   1.462  -9.460
  183   HE22  GLN   4          HE22      GLN   4  12.865   1.799 -11.042
  184    H    HIS   5           H        HIS   5   9.165   4.629 -10.783
  185    HA   HIS   5           HA       HIS   5   6.910   6.203  -9.638
  186    HD1  HIS   5           HD1      HIS   5   7.849   8.872  -9.378
  187    HD2  HIS   5           HD2      HIS   5  10.729   7.323 -12.023
  188    HE1  HIS   5           HE1      HIS   5   9.971  10.259  -9.029
  189    HB2  HIS   5           HB2      HIS   5   8.341   6.382 -12.330
  190    HB3  HIS   5           HB3      HIS   5   7.065   7.448 -11.765
  191    H    LEU   6           H        LEU   6   4.804   5.865 -10.429
  192    HA   LEU   6           HA       LEU   6   4.264   3.962 -12.614
  193    HG   LEU   6           HG       LEU   6   5.697   2.349 -10.445
  194    HB2  LEU   6           HB2      LEU   6   3.556   3.477  -9.688
  195    HB3  LEU   6           HB3      LEU   6   2.717   2.687 -11.012
  196   HD11  LEU   6          HD11      LEU   6   4.359   1.506  -8.583
  197   HD12  LEU   6          HD12      LEU   6   5.029   0.152  -9.518
  198   HD13  LEU   6          HD13      LEU   6   3.316   0.614  -9.706
  199   HD21  LEU   6          HD21      LEU   6   5.472   0.369 -11.932
  200   HD22  LEU   6          HD22      LEU   6   5.072   1.858 -12.804
  201   HD23  LEU   6          HD23      LEU   6   3.776   0.784 -12.235
  202    H    CYS   7           H        CYS   7   2.376   4.527 -13.628
  203    HA   CYS   7           HA       CYS   7   0.346   6.092 -12.201
  204    HB2  CYS   7           HB2      CYS   7   2.271   7.598 -13.152
  205    HB3  CYS   7           HB3      CYS   7   1.486   7.326 -14.705
  206    H    GLY   8           H        GLY   8  -1.575   6.330 -13.267
  207    HA2  GLY   8           HA2      GLY   8  -3.397   5.684 -14.559
  208    HA3  GLY   8           HA3      GLY   8  -2.237   5.564 -15.887
  209    H    SER   9           H        SER   9  -2.538   3.713 -16.938
  210    HA   SER   9           HA       SER   9  -3.804   1.365 -15.851
  211    HG   SER   9           HG       SER   9  -2.152   1.895 -19.551
  212    HB2  SER   9           HB2      SER   9  -3.031   0.368 -18.043
  213    HB3  SER   9           HB3      SER   9  -4.015   1.837 -18.174
  214    H    HIS  10           H        HIS  10  -0.401   2.319 -16.258
  215    HA   HIS  10           HA       HIS  10   0.801  -0.193 -15.634
  216    HD1  HIS  10           HD1      HIS  10   1.365   4.229 -16.759
  217    HD2  HIS  10           HD2      HIS  10   2.365   0.407 -18.191
  218    HE1  HIS  10           HE1      HIS  10   1.512   4.433 -19.302
  219    HB2  HIS  10           HB2      HIS  10   1.973   2.506 -14.915
  220    HB3  HIS  10           HB3      HIS  10   2.810   1.048 -15.428
  221    H    LEU  11           H        LEU  11  -0.254   2.505 -13.525
  222    HA   LEU  11           HA       LEU  11   0.661   1.330 -11.043
  223    HG   LEU  11           HG       LEU  11  -1.675   2.692  -9.311
  224    HB2  LEU  11           HB2      LEU  11   0.276   3.749 -11.393
  225    HB3  LEU  11           HB3      LEU  11  -1.438   3.460 -11.668
  226   HD11  LEU  11          HD11      LEU  11   0.156   3.124  -7.706
  227   HD12  LEU  11          HD12      LEU  11   1.238   3.567  -9.031
  228   HD13  LEU  11          HD13      LEU  11   0.634   1.900  -8.878
  229   HD21  LEU  11          HD21      LEU  11  -2.092   5.048  -9.976
  230   HD22  LEU  11          HD22      LEU  11  -0.387   5.446  -9.649
  231   HD23  LEU  11          HD23      LEU  11  -1.456   4.949  -8.332
  232    H    VAL  12           H        VAL  12  -2.502   1.381 -12.710
  233    HA   VAL  12           HA       VAL  12  -3.888  -0.214 -10.766
  234    HB   VAL  12           HB       VAL  12  -4.406   0.255 -13.713
  235   HG11  VAL  12          HG11      VAL  12  -6.267  -1.077 -11.694
  236   HG12  VAL  12          HG12      VAL  12  -6.720  -0.549 -13.327
  237   HG13  VAL  12          HG13      VAL  12  -5.551  -1.856 -13.130
  238   HG21  VAL  12          HG21      VAL  12  -6.169   1.762 -12.879
  239   HG22  VAL  12          HG22      VAL  12  -5.772   1.335 -11.205
  240   HG23  VAL  12          HG23      VAL  12  -4.615   2.246 -12.199
  241    H    GLU  13           H        GLU  13  -1.989  -1.193 -13.639
  242    HA   GLU  13           HA       GLU  13  -2.435  -4.013 -13.388
  243    HB2  GLU  13           HB2      GLU  13  -1.568  -2.858 -15.402
  244    HB3  GLU  13           HB3      GLU  13  -0.049  -2.521 -14.569
  245    HG2  GLU  13           HG2      GLU  13   0.396  -4.934 -14.359
  246    HG3  GLU  13           HG3      GLU  13  -1.171  -5.312 -15.079
  247    H    ALA  14           H        ALA  14   0.214  -1.895 -12.142
  248    HA   ALA  14           HA       ALA  14   1.692  -3.927 -10.817
  249    HB1  ALA  14           HB1      ALA  14   2.510  -1.626 -11.263
  250    HB2  ALA  14           HB2      ALA  14   1.382  -0.991 -10.036
  251    HB3  ALA  14           HB3      ALA  14   2.703  -2.083  -9.566
  252    H    LEU  15           H        LEU  15  -0.983  -1.894  -9.515
  253    HA   LEU  15           HA       LEU  15  -1.190  -3.057  -6.927
  254    HG   LEU  15           HG       LEU  15  -1.495  -0.388  -7.475
  255    HB2  LEU  15           HB2      LEU  15  -3.172  -1.804  -8.862
  256    HB3  LEU  15           HB3      LEU  15  -3.715  -2.455  -7.325
  257   HD11  LEU  15          HD11      LEU  15  -3.214   1.325  -7.023
  258   HD12  LEU  15          HD12      LEU  15  -4.491   0.101  -7.167
  259   HD13  LEU  15          HD13      LEU  15  -3.501   0.547  -8.576
  260   HD21  LEU  15          HD21      LEU  15  -1.713  -1.653  -5.334
  261   HD22  LEU  15          HD22      LEU  15  -3.433  -1.225  -5.249
  262   HD23  LEU  15          HD23      LEU  15  -2.191   0.027  -5.119
  263    H    TYR  16           H        TYR  16  -2.956  -4.079  -9.917
  264    HA   TYR  16           HA       TYR  16  -4.201  -6.342  -8.804
  265    HD1  TYR  16           HD2      TYR  16  -6.273  -7.399 -10.207
  266    HD2  TYR  16           HD1      TYR  16  -2.743  -7.922 -12.624
  267    HE1  TYR  16           HE2      TYR  16  -7.081  -9.645 -10.895
  268    HE2  TYR  16           HE1      TYR  16  -3.541 -10.176 -13.303
  269    HH   TYR  16           HH       TYR  16  -6.654 -11.538 -12.129
  270    HB2  TYR  16           HB2      TYR  16  -4.777  -5.426 -11.001
  271    HB3  TYR  16           HB3      TYR  16  -3.189  -5.810 -11.632
  272    H    LEU  17           H        LEU  17  -0.943  -6.137 -10.266
  273    HA   LEU  17           HA       LEU  17  -0.377  -8.964  -9.935
  274    HG   LEU  17           HG       LEU  17  -0.194  -7.225 -12.402
  275    HB2  LEU  17           HB2      LEU  17   1.397  -6.566 -10.540
  276    HB3  LEU  17           HB3      LEU  17   1.986  -8.228 -10.517
  277   HD11  LEU  17          HD11      LEU  17   2.015  -6.187 -12.852
  278   HD12  LEU  17          HD12      LEU  17   1.548  -7.320 -14.131
  279   HD13  LEU  17          HD13      LEU  17   2.758  -7.803 -12.915
  280   HD21  LEU  17          HD21      LEU  17   1.312  -9.872 -12.296
  281   HD22  LEU  17          HD22      LEU  17   0.256  -9.349 -13.623
  282   HD23  LEU  17          HD23      LEU  17  -0.424  -9.626 -12.020
  283    H    VAL  18           H        VAL  18   0.386  -6.143  -7.940
  284    HA   VAL  18           HA       VAL  18   1.990  -7.601  -6.012
  285    HB   VAL  18           HB       VAL  18   0.489  -4.967  -5.883
  286   HG11  VAL  18          HG11      VAL  18   0.415  -5.778  -3.575
  287   HG12  VAL  18          HG12      VAL  18   2.148  -6.196  -3.635
  288   HG13  VAL  18          HG13      VAL  18   1.619  -4.504  -3.725
  289   HG21  VAL  18          HG21      VAL  18   3.465  -5.670  -5.728
  290   HG22  VAL  18          HG22      VAL  18   2.647  -5.118  -7.195
  291   HG23  VAL  18          HG23      VAL  18   2.774  -4.041  -5.792
  292    H    CYS  19           H        CYS  19  -1.500  -6.803  -6.177
  293    HA   CYS  19           HA       CYS  19  -2.041  -8.071  -3.623
  294    HB2  CYS  19           HB2      CYS  19  -3.918  -7.112  -5.800
  295    HB3  CYS  19           HB3      CYS  19  -4.397  -7.583  -4.170
  296    H    GLY  20           H        GLY  20  -2.248  -9.201  -6.986
  297    HA2  GLY  20           HA2      GLY  20  -2.292 -11.368  -7.809
  298    HA3  GLY  20           HA3      GLY  20  -2.051 -11.958  -6.157
  299    H    GLU  21           H        GLU  21  -3.598 -13.301  -5.555
  300    HA   GLU  21           HA       GLU  21  -6.221 -13.512  -6.648
  301    HB2  GLU  21           HB2      GLU  21  -5.273 -14.427  -3.898
  302    HB3  GLU  21           HB3      GLU  21  -6.675 -14.998  -4.794
  303    HG2  GLU  21           HG2      GLU  21  -5.316 -16.689  -5.365
  304    HG3  GLU  21           HG3      GLU  21  -4.815 -15.603  -6.650
  305    H    ARG  22           H        ARG  22  -4.972 -11.373  -4.154
  306    HA   ARG  22           HA       ARG  22  -7.548 -10.710  -2.944
  307    HE   ARG  22           HE       ARG  22  -2.867 -10.259  -2.219
  308    HB2  ARG  22           HB2      ARG  22  -4.887  -9.238  -2.863
  309    HB3  ARG  22           HB3      ARG  22  -6.274  -8.912  -1.842
  310    HG2  ARG  22           HG2      ARG  22  -6.048 -11.015  -0.688
  311    HG3  ARG  22           HG3      ARG  22  -4.831 -11.607  -1.830
  312    HD2  ARG  22           HD2      ARG  22  -4.421  -9.160  -0.069
  313    HD3  ARG  22           HD3      ARG  22  -3.905 -10.801   0.361
  314   HH11  ARG  22          HH11      ARG  22  -2.273  -9.096   1.107
  315   HH12  ARG  22          HH12      ARG  22  -0.590  -8.755   0.704
  316   HH21  ARG  22          HH21      ARG  22  -0.654  -9.749  -2.528
  317   HH22  ARG  22          HH22      ARG  22   0.229  -9.071  -1.163
  318    H    GLY  23           H        GLY  23  -8.777  -8.878  -3.301
  319    HA2  GLY  23           HA2      GLY  23  -8.502  -7.342  -5.814
  320    HA3  GLY  23           HA3      GLY  23  -9.735  -7.112  -4.554
  321    H    PHE  24           H        PHE  24  -8.825  -4.849  -5.497
  322    HA   PHE  24           HA       PHE  24  -7.415  -3.721  -3.175
  323    HD1  PHE  24           HD2      PHE  24  -6.126  -5.339  -6.834
  324    HD2  PHE  24           HD1      PHE  24  -6.573  -1.070  -6.426
  325    HE1  PHE  24           HE2      PHE  24  -6.304  -5.119  -9.299
  326    HE2  PHE  24           HE1      PHE  24  -6.708  -0.850  -8.896
  327    HZ   PHE  24           HZ       PHE  24  -6.558  -2.880 -10.334
  328    HB2  PHE  24           HB2      PHE  24  -5.807  -2.467  -4.536
  329    HB3  PHE  24           HB3      PHE  24  -5.595  -4.187  -4.720
  330    H    PHE  25           H        PHE  25  -7.505  -1.446  -3.009
  331    HA   PHE  25           HA       PHE  25  -9.262   0.067  -4.815
  332    HD1  PHE  25           HD2      PHE  25 -11.769   0.811  -4.942
  333    HD2  PHE  25           HD1      PHE  25 -10.282   2.069  -1.094
  334    HE1  PHE  25           HE2      PHE  25 -12.995   2.958  -5.164
  335    HE2  PHE  25           HE1      PHE  25 -11.519   4.208  -1.320
  336    HZ   PHE  25           HZ       PHE  25 -12.872   4.659  -3.358
  337    HB2  PHE  25           HB2      PHE  25 -10.841  -0.834  -3.152
  338    HB3  PHE  25           HB3      PHE  25  -9.876  -0.171  -1.842
  339    H    TYR  26           H        TYR  26  -7.596   1.305  -5.450
  340    HA   TYR  26           HA       TYR  26  -5.867   2.797  -3.687
  341    HD1  TYR  26           HD2      TYR  26  -8.561   2.766  -6.474
  342    HD2  TYR  26           HD1      TYR  26  -4.669   3.588  -8.157
  343    HE1  TYR  26           HE2      TYR  26  -9.576   2.988  -8.704
  344    HE2  TYR  26           HE1      TYR  26  -5.699   3.868 -10.391
  345    HH   TYR  26           HH       TYR  26  -7.648   3.832 -11.618
  346    HB2  TYR  26           HB2      TYR  26  -5.156   3.896  -5.695
  347    HB3  TYR  26           HB3      TYR  26  -5.158   2.165  -5.866
  348    H    THR  27           H        THR  27  -5.781   5.279  -3.934
  349    HA   THR  27           HA       THR  27  -7.644   5.998  -2.042
  350    HB   THR  27           HB       THR  27  -6.659   8.345  -2.311
  351    HG1  THR  27           HG1      THR  27  -4.601   8.046  -3.600
  352   HG21  THR  27          HG21      THR  27  -5.833   6.799  -0.662
  353   HG22  THR  27          HG22      THR  27  -4.429   7.520  -1.470
  354   HG23  THR  27          HG23      THR  27  -4.949   5.871  -1.880
  355    HA   PRO  28           HA       PRO  28  -6.886   6.910  -5.729
  356    HB2  PRO  28           HB2      PRO  28  -8.173   6.691  -8.061
  357    HB3  PRO  28           HB3      PRO  28  -8.428   5.445  -6.807
  358    HG2  PRO  28           HG2      PRO  28 -10.264   7.739  -7.515
  359    HG3  PRO  28           HG3      PRO  28 -10.675   6.036  -7.162
  360    HD2  PRO  28           HD2      PRO  28 -10.635   8.210  -5.303
  361    HD3  PRO  28           HD3      PRO  28 -10.740   6.465  -4.905
  362    H    LYS  29           H        LYS  29  -6.751   9.190  -4.661
  363    HA   LYS  29           HA       LYS  29  -6.695  11.235  -6.776
  364    HB2  LYS  29           HB2      LYS  29  -8.163  12.800  -5.853
  365    HB3  LYS  29           HB3      LYS  29  -9.045  11.290  -5.887
  366    HG2  LYS  29           HG2      LYS  29  -7.833  12.645  -3.435
  367    HG3  LYS  29           HG3      LYS  29  -9.534  12.539  -3.870
  368    HD2  LYS  29           HD2      LYS  29  -9.327  10.012  -3.666
  369    HD3  LYS  29           HD3      LYS  29  -7.714  10.288  -2.955
  370    HE2  LYS  29           HE2      LYS  29  -8.791  11.733  -1.206
  371    HE3  LYS  29           HE3      LYS  29 -10.372  11.359  -1.909
  372    HZ1  LYS  29           HZ1      LYS  29  -9.851   8.965  -1.451
  373    HZ2  LYS  29           HZ2      LYS  29  -9.995   9.873  -0.089
  374    HZ3  LYS  29           HZ3      LYS  29  -8.514   9.432  -0.629
  375    H    THR  30           H        THR  30  -5.090   9.836  -4.462
  376    HA   THR  30           HA       THR  30  -3.132  11.978  -3.995
  377    HB   THR  30           HB       THR  30  -3.013  11.357  -1.550
  378    HG1  THR  30           HG1      THR  30  -4.418   9.515  -1.900
  379   HG21  THR  30          HG21      THR  30  -4.699  12.896  -0.777
  380   HG22  THR  30          HG22      THR  30  -5.626  12.734  -2.283
  381   HG23  THR  30          HG23      THR  30  -4.034  13.525  -2.298
  Start of MODEL   22
    1    H1   GLY   1           H1       GLY   1  -3.565   8.273  -0.210
    2    H2   GLY   1           H2       GLY   1  -5.177   8.555  -0.278
    3    H3   GLY   1           H3       GLY   1  -4.119   9.721  -0.746
    4    HA2  GLY   1           HA2      GLY   1  -4.521   7.124  -2.107
    5    HA3  GLY   1           HA3      GLY   1  -5.141   8.685  -2.669
    6    H    ILE   2           H        ILE   2  -2.690   6.502  -3.136
    7    HA   ILE   2           HA       ILE   2  -0.495   8.455  -3.451
    8    HB   ILE   2           HB       ILE   2   0.950   6.486  -3.726
    9   HG12  ILE   2          HG12      ILE   2  -1.549   4.788  -3.332
   10   HG13  ILE   2          HG13      ILE   2  -0.676   4.981  -4.853
   11   HG21  ILE   2          HG21      ILE   2   0.364   7.496  -1.524
   12   HG22  ILE   2          HG22      ILE   2  -0.912   6.274  -1.343
   13   HG23  ILE   2          HG23      ILE   2   0.798   5.789  -1.409
   14   HD11  ILE   2          HD11      ILE   2  -0.052   2.879  -3.768
   15   HD12  ILE   2          HD12      ILE   2   1.346   3.974  -3.826
   16   HD13  ILE   2          HD13      ILE   2   0.448   3.731  -2.309
   17    H    VAL   3           H        VAL   3  -2.807   7.706  -5.527
   18    HA   VAL   3           HA       VAL   3  -1.644   6.929  -7.920
   19    HB   VAL   3           HB       VAL   3  -3.889   8.942  -7.662
   20   HG11  VAL   3          HG11      VAL   3  -4.617   8.148  -9.909
   21   HG12  VAL   3          HG12      VAL   3  -3.067   8.984  -9.972
   22   HG13  VAL   3          HG13      VAL   3  -3.114   7.209 -10.050
   23   HG21  VAL   3          HG21      VAL   3  -5.378   6.993  -7.941
   24   HG22  VAL   3          HG22      VAL   3  -3.977   5.907  -8.000
   25   HG23  VAL   3          HG23      VAL   3  -4.371   6.783  -6.509
   26    H    GLU   4           H        GLU   4  -1.779  10.319  -6.717
   27    HA   GLU   4           HA       GLU   4  -0.205  11.337  -8.964
   28    HB2  GLU   4           HB2      GLU   4  -1.886  12.707  -7.731
   29    HB3  GLU   4           HB3      GLU   4  -0.882  12.616  -6.279
   30    HG2  GLU   4           HG2      GLU   4   0.968  13.759  -7.490
   31    HG3  GLU   4           HG3      GLU   4  -0.025  13.825  -8.951
   32    H    GLN   5           H        GLN   5   0.401  10.414  -5.558
   33    HA   GLN   5           HA       GLN   5   3.002  11.455  -5.298
   34    HB2  GLN   5           HB2      GLN   5   1.331  10.589  -3.542
   35    HB3  GLN   5           HB3      GLN   5   1.926   8.970  -3.882
   36    HG2  GLN   5           HG2      GLN   5   3.547  11.344  -2.855
   37    HG3  GLN   5           HG3      GLN   5   2.920  10.023  -1.879
   38   HE21  GLN   5          HE21      GLN   5   3.669   7.692  -3.166
   39   HE22  GLN   5          HE22      GLN   5   5.423   7.685  -3.406
   40    H    CYS   6           H        CYS   6   2.044   8.099  -6.242
   41    HA   CYS   6           HA       CYS   6   4.800   7.225  -6.496
   42    HB2  CYS   6           HB2      CYS   6   2.694   5.869  -5.928
   43    HB3  CYS   6           HB3      CYS   6   2.325   5.892  -7.649
   44    H    CYS   7           H        CYS   7   2.701   8.880  -8.622
   45    HA   CYS   7           HA       CYS   7   4.149   8.134 -11.105
   46    HB2  CYS   7           HB2      CYS   7   1.677   8.346 -11.028
   47    HB3  CYS   7           HB3      CYS   7   1.836  10.039 -10.576
   48    H    THR   8           H        THR   8   3.673  10.958  -9.018
   49    HA   THR   8           HA       THR   8   5.365  12.772 -10.569
   50    HB   THR   8           HB       THR   8   4.104  13.062  -7.805
   51    HG1  THR   8           HG1      THR   8   2.486  12.752  -9.191
   52   HG21  THR   8          HG21      THR   8   4.136  15.468  -8.277
   53   HG22  THR   8          HG22      THR   8   5.030  15.175  -9.790
   54   HG23  THR   8          HG23      THR   8   5.779  14.809  -8.217
   55    H    SER   9           H        SER   9   5.575  11.072  -7.450
   56    HA   SER   9           HA       SER   9   8.562  11.250  -7.521
   57    HG   SER   9           HG       SER   9   7.776  12.938  -4.521
   58    HB2  SER   9           HB2      SER   9   6.702  10.985  -5.148
   59    HB3  SER   9           HB3      SER   9   8.464  10.813  -5.088
   60    H    ILE  10           H        ILE  10   7.891   8.945  -5.368
   61    HA   ILE  10           HA       ILE  10   7.616   6.705  -7.319
   62    HB   ILE  10           HB       ILE  10   9.562   5.583  -6.192
   63   HG12  ILE  10          HG12      ILE  10  10.266   8.354  -5.123
   64   HG13  ILE  10          HG13      ILE  10   9.587   7.061  -4.136
   65   HG21  ILE  10          HG21      ILE  10   9.704   6.688  -8.424
   66   HG22  ILE  10          HG22      ILE  10  10.349   8.143  -7.632
   67   HG23  ILE  10          HG23      ILE  10  11.241   6.607  -7.574
   68   HD11  ILE  10          HD11      ILE  10  12.272   6.965  -5.560
   69   HD12  ILE  10          HD12      ILE  10  11.980   7.172  -3.825
   70   HD13  ILE  10          HD13      ILE  10  11.542   5.645  -4.606
   71    H    CYS  11           H        CYS  11   7.234   4.619  -6.341
   72    HA   CYS  11           HA       CYS  11   6.923   4.484  -3.445
   73    HB2  CYS  11           HB2      CYS  11   4.698   3.807  -3.268
   74    HB3  CYS  11           HB3      CYS  11   4.672   5.293  -4.199
   75    H    SER  12           H        SER  12   6.488   2.297  -2.669
   76    HA   SER  12           HA       SER  12   7.888   0.264  -4.366
   77    HG   SER  12           HG       SER  12   9.445  -1.012  -1.496
   78    HB2  SER  12           HB2      SER  12   8.941   1.074  -2.225
   79    HB3  SER  12           HB3      SER  12   7.578   0.338  -1.358
   80    H    LEU  13           H        LEU  13   7.379  -1.991  -3.888
   81    HA   LEU  13           HA       LEU  13   4.646  -2.571  -4.563
   82    HG   LEU  13           HG       LEU  13   7.869  -3.454  -5.344
   83    HB2  LEU  13           HB2      LEU  13   6.772  -4.470  -3.467
   84    HB3  LEU  13           HB3      LEU  13   5.355  -4.884  -4.402
   85   HD11  LEU  13          HD11      LEU  13   8.009  -5.891  -5.131
   86   HD12  LEU  13          HD12      LEU  13   8.097  -5.397  -6.831
   87   HD13  LEU  13          HD13      LEU  13   6.587  -6.081  -6.186
   88   HD21  LEU  13          HD21      LEU  13   5.374  -3.937  -7.020
   89   HD22  LEU  13          HD22      LEU  13   6.942  -3.372  -7.617
   90   HD23  LEU  13          HD23      LEU  13   6.009  -2.347  -6.521
   91    H    TYR  14           H        TYR  14   6.395  -2.713  -1.478
   92    HA   TYR  14           HA       TYR  14   4.281  -3.801   0.101
   93    HD1  TYR  14           HD2      TYR  14   5.030  -4.954   2.341
   94    HD2  TYR  14           HD1      TYR  14   5.902  -0.753   2.825
   95    HE1  TYR  14           HE2      TYR  14   4.284  -5.074   4.710
   96    HE2  TYR  14           HE1      TYR  14   5.154  -0.870   5.190
   97    HH   TYR  14           HH       TYR  14   3.980  -3.916   6.686
   98    HB2  TYR  14           HB2      TYR  14   6.638  -3.608   0.795
   99    HB3  TYR  14           HB3      TYR  14   6.511  -1.854   0.815
  100    H    GLN  15           H        GLN  15   4.732  -0.543  -1.158
  101    HA   GLN  15           HA       GLN  15   2.639   0.638   0.589
  102    HB2  GLN  15           HB2      GLN  15   4.199   1.824  -1.746
  103    HB3  GLN  15           HB3      GLN  15   3.067   2.695  -0.727
  104    HG2  GLN  15           HG2      GLN  15   4.477   2.357   1.251
  105    HG3  GLN  15           HG3      GLN  15   5.608   1.364   0.331
  106   HE21  GLN  15          HE21      GLN  15   4.949   4.609   1.290
  107   HE22  GLN  15          HE22      GLN  15   6.090   5.356   0.182
  108    H    LEU  16           H        LEU  16   2.994  -0.555  -2.765
  109    HA   LEU  16           HA       LEU  16   0.269  -0.013  -3.556
  110    HG   LEU  16           HG       LEU  16   3.138  -0.176  -5.008
  111    HB2  LEU  16           HB2      LEU  16   2.095  -2.332  -4.342
  112    HB3  LEU  16           HB3      LEU  16   0.617  -1.883  -5.158
  113   HD11  LEU  16          HD11      LEU  16   3.323  -0.672  -7.414
  114   HD12  LEU  16          HD12      LEU  16   1.882  -1.707  -7.323
  115   HD13  LEU  16          HD13      LEU  16   3.366  -2.163  -6.463
  116   HD21  LEU  16          HD21      LEU  16   1.161   1.277  -5.135
  117   HD22  LEU  16          HD22      LEU  16   0.520   0.331  -6.500
  118   HD23  LEU  16          HD23      LEU  16   2.034   1.262  -6.667
  119    H    GLU  17           H        GLU  17   1.722  -2.859  -1.922
  120    HA   GLU  17           HA       GLU  17  -0.661  -4.344  -1.734
  121    HB2  GLU  17           HB2      GLU  17   1.790  -5.052  -1.358
  122    HB3  GLU  17           HB3      GLU  17   1.576  -4.499   0.311
  123    HG2  GLU  17           HG2      GLU  17  -0.418  -6.077   0.459
  124    HG3  GLU  17           HG3      GLU  17  -0.009  -6.661  -1.151
  125    H    ASN  18           H        ASN  18   0.363  -1.646   0.301
  126    HA   ASN  18           HA       ASN  18  -1.231  -2.074   2.595
  127    HB2  ASN  18           HB2      ASN  18   0.538  -0.355   2.357
  128    HB3  ASN  18           HB3      ASN  18  -0.466   0.518   1.190
  129   HD21  ASN  18          HD21      ASN  18  -1.948   2.015   1.962
  130   HD22  ASN  18          HD22      ASN  18  -2.316   2.208   3.663
  131    H    TYR  19           H        TYR  19  -2.229  -1.108  -0.654
  132    HA   TYR  19           HA       TYR  19  -4.952  -0.293   0.205
  133    HD1  TYR  19           HD1      TYR  19  -1.813   1.342  -1.248
  134    HD2  TYR  19           HD2      TYR  19  -6.047   2.109  -1.464
  135    HE1  TYR  19           HE1      TYR  19  -1.414   3.706  -0.620
  136    HE2  TYR  19           HE2      TYR  19  -5.658   4.490  -0.877
  137    HH   TYR  19           HH       TYR  19  -2.385   5.743  -0.127
  138    HB2  TYR  19           HB2      TYR  19  -3.413  -0.253  -2.416
  139    HB3  TYR  19           HB3      TYR  19  -5.128   0.045  -2.333
  140    H    CYS  20           H        CYS  20  -3.476  -3.246  -0.351
  141    HA   CYS  20           HA       CYS  20  -5.853  -4.533  -1.602
  142    HB2  CYS  20           HB2      CYS  20  -3.117  -5.629  -0.901
  143    HB3  CYS  20           HB3      CYS  20  -4.413  -6.525  -1.698
  144    H    ASN  21           H        ASN  21  -6.640  -6.534  -0.714
  145    HA   ASN  21           HA       ASN  21  -7.036  -6.560   2.213
  146    HB2  ASN  21           HB2      ASN  21  -8.919  -6.925   0.659
  147    HB3  ASN  21           HB3      ASN  21  -8.100  -8.317  -0.050
  148   HD21  ASN  21          HD21      ASN  21  -7.440 -10.010   1.692
  149   HD22  ASN  21          HD22      ASN  21  -8.743 -10.439   2.820
  150    HA   PHE   1           HA       PHE   1  10.651  -5.551  -2.156
  151    HD1  PHE   1           HD1      PHE   1   8.287  -6.041  -1.165
  152    HD2  PHE   1           HD2      PHE   1  10.054  -3.317   1.689
  153    HE1  PHE   1           HE1      PHE   1   7.162  -7.241   0.691
  154    HE2  PHE   1           HE2      PHE   1   8.916  -4.512   3.529
  155    HZ   PHE   1           HZ       PHE   1   7.467  -6.477   3.044
  156    H1   PHE   1           H1       PHE   1  12.509  -4.381  -0.195
  157    H2   PHE   1           H2       PHE   1  12.798  -5.694  -1.119
  158    H3   PHE   1           H3       PHE   1  11.613  -5.739   0.015
  159    HB2  PHE   1           HB2      PHE   1  10.358  -2.927  -0.634
  160    HB3  PHE   1           HB3      PHE   1   9.198  -3.640  -1.755
  161    H    VAL   2           H        VAL   2  10.167  -2.847  -3.340
  162    HA   VAL   2           HA       VAL   2  12.629  -1.797  -4.340
  163    HB   VAL   2           HB       VAL   2  12.803  -3.887  -5.572
  164   HG11  VAL   2          HG11      VAL   2  11.230  -4.629  -7.254
  165   HG12  VAL   2          HG12      VAL   2  10.409  -4.536  -5.688
  166   HG13  VAL   2          HG13      VAL   2  10.137  -3.280  -6.917
  167   HG21  VAL   2          HG21      VAL   2  13.583  -1.784  -6.634
  168   HG22  VAL   2          HG22      VAL   2  13.113  -3.032  -7.800
  169   HG23  VAL   2          HG23      VAL   2  12.031  -1.660  -7.486
  170    H    ASN   3           H        ASN   3  12.295   0.179  -5.118
  171    HA   ASN   3           HA       ASN   3   9.502   1.126  -5.402
  172    HB2  ASN   3           HB2      ASN   3  10.356   3.344  -4.946
  173    HB3  ASN   3           HB3      ASN   3  10.856   2.220  -3.688
  174   HD21  ASN   3          HD21      ASN   3  13.127   1.829  -3.372
  175   HD22  ASN   3          HD22      ASN   3  14.338   2.682  -4.313
  176    H    GLN   4           H        GLN   4   8.807   2.479  -7.045
  177    HA   GLN   4           HA       GLN   4  10.455   2.818  -9.495
  178    HB2  GLN   4           HB2      GLN   4   7.804   1.296  -9.321
  179    HB3  GLN   4           HB3      GLN   4   8.512   1.883 -10.829
  180    HG2  GLN   4           HG2      GLN   4  10.532   0.459 -10.409
  181    HG3  GLN   4           HG3      GLN   4   9.723  -0.221  -8.991
  182   HE21  GLN   4          HE21      GLN   4   7.562  -1.353  -9.398
  183   HE22  GLN   4          HE22      GLN   4   7.383  -2.161 -10.945
  184    H    HIS   5           H        HIS   5   9.439   4.285 -11.035
  185    HA   HIS   5           HA       HIS   5   7.338   6.120  -9.997
  186    HD1  HIS   5           HD1      HIS   5   8.461   8.852 -10.083
  187    HD2  HIS   5           HD2      HIS   5  11.215   6.596 -12.315
  188    HE1  HIS   5           HE1      HIS   5  10.690  10.034  -9.841
  189    HB2  HIS   5           HB2      HIS   5   8.737   5.990 -12.707
  190    HB3  HIS   5           HB3      HIS   5   7.552   7.187 -12.212
  191    H    LEU   6           H        LEU   6   5.244   5.615 -10.382
  192    HA   LEU   6           HA       LEU   6   4.450   3.822 -12.629
  193    HG   LEU   6           HG       LEU   6   5.953   2.289 -10.435
  194    HB2  LEU   6           HB2      LEU   6   3.829   3.425  -9.685
  195    HB3  LEU   6           HB3      LEU   6   2.972   2.599 -10.979
  196   HD11  LEU   6          HD11      LEU   6   4.660   1.488  -8.523
  197   HD12  LEU   6          HD12      LEU   6   5.321   0.108  -9.419
  198   HD13  LEU   6          HD13      LEU   6   3.605   0.545  -9.595
  199   HD21  LEU   6          HD21      LEU   6   5.282   1.717 -12.775
  200   HD22  LEU   6          HD22      LEU   6   4.018   0.635 -12.138
  201   HD23  LEU   6          HD23      LEU   6   5.734   0.273 -11.858
  202    H    CYS   7           H        CYS   7   2.657   4.516 -13.619
  203    HA   CYS   7           HA       CYS   7   0.962   6.616 -12.319
  204    HB2  CYS   7           HB2      CYS   7   1.988   6.470 -15.175
  205    HB3  CYS   7           HB3      CYS   7   0.888   7.691 -14.568
  206    H    GLY   8           H        GLY   8  -1.145   6.496 -12.658
  207    HA2  GLY   8           HA2      GLY   8  -3.266   5.758 -13.293
  208    HA3  GLY   8           HA3      GLY   8  -2.543   5.891 -14.882
  209    H    SER   9           H        SER   9  -2.921   4.189 -16.121
  210    HA   SER   9           HA       SER   9  -4.022   1.733 -15.299
  211    HG   SER   9           HG       SER   9  -4.539   2.782 -18.675
  212    HB2  SER   9           HB2      SER   9  -2.418   2.315 -17.815
  213    HB3  SER   9           HB3      SER   9  -3.579   0.997 -17.578
  214    H    HIS  10           H        HIS  10  -0.561   2.574 -15.797
  215    HA   HIS  10           HA       HIS  10   0.317  -0.193 -15.421
  216    HD1  HIS  10           HD1      HIS  10   1.483  -1.021 -17.432
  217    HD2  HIS  10           HD2      HIS  10   1.902   3.131 -18.109
  218    HE1  HIS  10           HE1      HIS  10   1.601  -0.701 -19.951
  219    HB2  HIS  10           HB2      HIS  10   1.771   2.461 -15.597
  220    HB3  HIS  10           HB3      HIS  10   2.586   0.913 -15.355
  221    H    LEU  11           H        LEU  11  -0.189   2.599 -13.298
  222    HA   LEU  11           HA       LEU  11   1.038   1.407 -10.950
  223    HG   LEU  11           HG       LEU  11  -1.042   2.619  -8.927
  224    HB2  LEU  11           HB2      LEU  11   0.581   3.835 -11.195
  225    HB3  LEU  11           HB3      LEU  11  -1.146   3.511 -11.261
  226   HD11  LEU  11          HD11      LEU  11   1.767   3.794  -8.955
  227   HD12  LEU  11          HD12      LEU  11   1.388   2.057  -8.820
  228   HD13  LEU  11          HD13      LEU  11   0.919   3.185  -7.538
  229   HD21  LEU  11          HD21      LEU  11  -0.023   5.469  -9.374
  230   HD22  LEU  11          HD22      LEU  11  -0.827   4.874  -7.910
  231   HD23  LEU  11          HD23      LEU  11  -1.725   4.952  -9.431
  232    H    VAL  12           H        VAL  12  -2.328   1.509 -12.158
  233    HA   VAL  12           HA       VAL  12  -3.383  -0.239 -10.132
  234    HB   VAL  12           HB       VAL  12  -4.417   0.468 -12.894
  235   HG11  VAL  12          HG11      VAL  12  -5.464  -1.664 -12.326
  236   HG12  VAL  12          HG12      VAL  12  -5.843  -1.078 -10.685
  237   HG13  VAL  12          HG13      VAL  12  -6.646  -0.372 -12.103
  238   HG21  VAL  12          HG21      VAL  12  -5.978   1.902 -11.626
  239   HG22  VAL  12          HG22      VAL  12  -5.261   1.359 -10.096
  240   HG23  VAL  12          HG23      VAL  12  -4.311   2.332 -11.234
  241    H    GLU  13           H        GLU  13  -1.930  -0.957 -13.320
  242    HA   GLU  13           HA       GLU  13  -2.325  -3.781 -13.344
  243    HB2  GLU  13           HB2      GLU  13  -1.613  -2.428 -15.272
  244    HB3  GLU  13           HB3      GLU  13  -0.099  -2.044 -14.460
  245    HG2  GLU  13           HG2      GLU  13   0.622  -4.370 -14.593
  246    HG3  GLU  13           HG3      GLU  13  -0.944  -4.839 -15.271
  247    H    ALA  14           H        ALA  14   0.492  -1.841 -12.121
  248    HA   ALA  14           HA       ALA  14   1.961  -4.043 -11.081
  249    HB1  ALA  14           HB1      ALA  14   1.846  -1.140 -10.134
  250    HB2  ALA  14           HB2      ALA  14   3.132  -2.308  -9.754
  251    HB3  ALA  14           HB3      ALA  14   2.892  -1.780 -11.427
  252    H    LEU  15           H        LEU  15  -0.471  -1.990  -9.436
  253    HA   LEU  15           HA       LEU  15  -0.494  -3.219  -6.882
  254    HG   LEU  15           HG       LEU  15  -3.697  -3.044  -6.609
  255    HB2  LEU  15           HB2      LEU  15  -1.559  -1.077  -7.525
  256    HB3  LEU  15           HB3      LEU  15  -2.666  -1.924  -8.592
  257   HD11  LEU  15          HD11      LEU  15  -1.916  -1.115  -5.053
  258   HD12  LEU  15          HD12      LEU  15  -1.825  -2.895  -5.010
  259   HD13  LEU  15          HD13      LEU  15  -3.252  -2.070  -4.365
  260   HD21  LEU  15          HD21      LEU  15  -3.616   0.002  -6.687
  261   HD22  LEU  15          HD22      LEU  15  -4.849  -0.941  -5.835
  262   HD23  LEU  15          HD23      LEU  15  -4.700  -1.048  -7.605
  263    H    TYR  16           H        TYR  16  -2.553  -4.037  -9.732
  264    HA   TYR  16           HA       TYR  16  -3.822  -6.306  -8.602
  265    HD1  TYR  16           HD1      TYR  16  -6.012  -7.310  -9.828
  266    HD2  TYR  16           HD2      TYR  16  -2.833  -7.534 -12.740
  267    HE1  TYR  16           HE1      TYR  16  -6.901  -9.492 -10.628
  268    HE2  TYR  16           HE2      TYR  16  -3.725  -9.707 -13.548
  269    HH   TYR  16           HH       TYR  16  -5.358 -11.307 -13.315
  270    HB2  TYR  16           HB2      TYR  16  -4.618  -5.232 -10.638
  271    HB3  TYR  16           HB3      TYR  16  -3.112  -5.568 -11.467
  272    H    LEU  17           H        LEU  17  -0.709  -6.083 -10.342
  273    HA   LEU  17           HA       LEU  17  -0.273  -8.961 -10.348
  274    HG   LEU  17           HG       LEU  17  -0.305  -7.105 -12.670
  275    HB2  LEU  17           HB2      LEU  17   1.512  -6.582 -10.971
  276    HB3  LEU  17           HB3      LEU  17   2.061  -8.246 -11.115
  277   HD11  LEU  17          HD11      LEU  17   1.234  -7.068 -14.595
  278   HD12  LEU  17          HD12      LEU  17   2.563  -7.651 -13.567
  279   HD13  LEU  17          HD13      LEU  17   1.858  -6.041 -13.293
  280   HD21  LEU  17          HD21      LEU  17  -0.526  -9.519 -12.451
  281   HD22  LEU  17          HD22      LEU  17   1.176  -9.760 -12.921
  282   HD23  LEU  17          HD23      LEU  17  -0.002  -9.127 -14.095
  283    H    VAL  18           H        VAL  18   0.848  -6.374  -8.226
  284    HA   VAL  18           HA       VAL  18   2.594  -7.979  -6.594
  285    HB   VAL  18           HB       VAL  18   1.010  -5.449  -6.046
  286   HG11  VAL  18          HG11      VAL  18   2.299  -5.165  -3.934
  287   HG12  VAL  18          HG12      VAL  18   1.157  -6.504  -3.837
  288   HG13  VAL  18          HG13      VAL  18   2.888  -6.839  -4.077
  289   HG21  VAL  18          HG21      VAL  18   3.244  -4.419  -6.026
  290   HG22  VAL  18          HG22      VAL  18   4.016  -6.007  -6.192
  291   HG23  VAL  18          HG23      VAL  18   3.059  -5.342  -7.525
  292    H    CYS  19           H        CYS  19  -0.901  -7.219  -6.298
  293    HA   CYS  19           HA       CYS  19  -1.095  -8.930  -3.920
  294    HB2  CYS  19           HB2      CYS  19  -3.162  -7.265  -5.386
  295    HB3  CYS  19           HB3      CYS  19  -3.414  -8.065  -3.832
  296    H    GLY  20           H        GLY  20  -1.842  -9.394  -7.325
  297    HA2  GLY  20           HA2      GLY  20  -2.282 -11.353  -8.476
  298    HA3  GLY  20           HA3      GLY  20  -1.912 -12.229  -6.984
  299    H    GLU  21           H        GLU  21  -3.530 -13.391  -6.168
  300    HA   GLU  21           HA       GLU  21  -6.281 -13.165  -7.102
  301    HB2  GLU  21           HB2      GLU  21  -4.991 -14.836  -4.909
  302    HB3  GLU  21           HB3      GLU  21  -6.685 -14.962  -5.401
  303    HG2  GLU  21           HG2      GLU  21  -5.964 -15.517  -7.726
  304    HG3  GLU  21           HG3      GLU  21  -4.282 -15.487  -7.202
  305    H    ARG  22           H        ARG  22  -4.491 -11.675  -4.489
  306    HA   ARG  22           HA       ARG  22  -6.841 -11.017  -2.843
  307    HE   ARG  22           HE       ARG  22  -4.176  -9.896   0.552
  308    HB2  ARG  22           HB2      ARG  22  -4.005  -9.935  -2.829
  309    HB3  ARG  22           HB3      ARG  22  -5.252  -9.512  -1.669
  310    HG2  ARG  22           HG2      ARG  22  -5.315 -11.727  -0.751
  311    HG3  ARG  22           HG3      ARG  22  -4.392 -12.404  -2.092
  312    HD2  ARG  22           HD2      ARG  22  -2.958 -12.225  -0.151
  313    HD3  ARG  22           HD3      ARG  22  -2.405 -11.152  -1.444
  314   HH11  ARG  22          HH11      ARG  22  -0.770 -10.563  -0.230
  315   HH12  ARG  22          HH12      ARG  22  -0.206  -9.234   0.768
  316   HH21  ARG  22          HH21      ARG  22  -3.339  -8.304   1.899
  317   HH22  ARG  22          HH22      ARG  22  -1.605  -8.025   1.935
  318    H    GLY  23           H        GLY  23  -8.064  -9.290  -3.006
  319    HA2  GLY  23           HA2      GLY  23  -7.911  -7.552  -5.405
  320    HA3  GLY  23           HA3      GLY  23  -9.287  -7.722  -4.296
  321    H    PHE  24           H        PHE  24  -8.528  -5.280  -5.207
  322    HA   PHE  24           HA       PHE  24  -7.589  -3.912  -2.729
  323    HD1  PHE  24           HD1      PHE  24  -7.692  -1.335  -6.061
  324    HD2  PHE  24           HD2      PHE  24  -5.793  -5.194  -6.370
  325    HE1  PHE  24           HE1      PHE  24  -7.921  -1.253  -8.527
  326    HE2  PHE  24           HE2      PHE  24  -6.032  -5.108  -8.829
  327    HZ   PHE  24           HZ       PHE  24  -7.083  -3.140  -9.926
  328    HB2  PHE  24           HB2      PHE  24  -6.339  -2.333  -4.162
  329    HB3  PHE  24           HB3      PHE  24  -5.737  -3.970  -4.294
  330    H    PHE  25           H        PHE  25  -8.097  -1.694  -2.583
  331    HA   PHE  25           HA       PHE  25 -10.221  -0.589  -4.333
  332    HD1  PHE  25           HD1      PHE  25 -12.921  -0.021  -3.704
  333    HD2  PHE  25           HD2      PHE  25 -10.255   2.111  -1.073
  334    HE1  PHE  25           HE1      PHE  25 -14.311   2.025  -3.948
  335    HE2  PHE  25           HE2      PHE  25 -11.649   4.150  -1.312
  336    HZ   PHE  25           HZ       PHE  25 -13.675   4.111  -2.757
  337    HB2  PHE  25           HB2      PHE  25 -11.297  -1.215  -2.191
  338    HB3  PHE  25           HB3      PHE  25 -10.078  -0.303  -1.301
  339    H    TYR  26           H        TYR  26  -9.844   1.628  -4.834
  340    HA   TYR  26           HA       TYR  26  -7.253   2.774  -3.935
  341    HD1  TYR  26           HD2      TYR  26  -5.344   1.580  -4.066
  342    HD2  TYR  26           HD1      TYR  26  -5.728   3.265  -8.014
  343    HE1  TYR  26           HE2      TYR  26  -2.880   1.899  -4.158
  344    HE2  TYR  26           HE1      TYR  26  -3.264   3.551  -8.124
  345    HH   TYR  26           HH       TYR  26  -1.116   2.527  -5.443
  346    HB2  TYR  26           HB2      TYR  26  -7.281   1.041  -6.033
  347    HB3  TYR  26           HB3      TYR  26  -7.674   2.504  -6.899
  348    H    THR  27           H        THR  27  -6.897   4.918  -4.304
  349    HA   THR  27           HA       THR  27  -9.064   6.630  -5.383
  350    HB   THR  27           HB       THR  27  -8.089   6.880  -2.507
  351    HG1  THR  27           HG1      THR  27 -10.500   5.739  -3.480
  352   HG21  THR  27          HG21      THR  27 -10.106   8.286  -2.215
  353   HG22  THR  27          HG22      THR  27 -10.491   8.106  -3.942
  354   HG23  THR  27          HG23      THR  27  -9.023   8.971  -3.429
  355    HA   PRO  28           HA       PRO  28  -5.306   9.103  -6.035
  356    HB2  PRO  28           HB2      PRO  28  -6.345  11.294  -7.253
  357    HB3  PRO  28           HB3      PRO  28  -6.372   9.689  -8.034
  358    HG2  PRO  28           HG2      PRO  28  -8.602  10.985  -6.430
  359    HG3  PRO  28           HG3      PRO  28  -8.687  10.303  -8.084
  360    HD2  PRO  28           HD2      PRO  28  -9.389   8.853  -5.888
  361    HD3  PRO  28           HD3      PRO  28  -8.562   8.094  -7.282
  362    H    LYS  29           H        LYS  29  -4.965  11.764  -5.722
  363    HA   LYS  29           HA       LYS  29  -4.805  12.118  -2.891
  364    HB2  LYS  29           HB2      LYS  29  -3.276  13.040  -4.657
  365    HB3  LYS  29           HB3      LYS  29  -4.558  14.162  -5.142
  366    HG2  LYS  29           HG2      LYS  29  -4.487  15.188  -2.850
  367    HG3  LYS  29           HG3      LYS  29  -3.243  14.019  -2.388
  368    HD2  LYS  29           HD2      LYS  29  -2.161  16.096  -2.884
  369    HD3  LYS  29           HD3      LYS  29  -1.750  14.953  -4.168
  370    HE2  LYS  29           HE2      LYS  29  -3.528  15.975  -5.603
  371    HE3  LYS  29           HE3      LYS  29  -3.908  17.118  -4.307
  372    HZ1  LYS  29           HZ1      LYS  29  -2.400  18.073  -5.965
  373    HZ2  LYS  29           HZ2      LYS  29  -1.298  16.899  -5.690
  374    HZ3  LYS  29           HZ3      LYS  29  -1.640  17.987  -4.512
  375    H    THR  30           H        THR  30  -7.244  13.177  -5.201
  376    HA   THR  30           HA       THR  30  -8.526  15.130  -3.437
  377    HB   THR  30           HB       THR  30 -10.245  15.192  -5.288
  378    HG1  THR  30           HG1      THR  30  -9.736  13.077  -6.050
  379   HG21  THR  30          HG21      THR  30  -8.772  16.354  -6.886
  380   HG22  THR  30          HG22      THR  30  -7.338  15.649  -6.109
  381   HG23  THR  30          HG23      THR  30  -8.371  16.799  -5.223
  Start of MODEL   23
    1    H1   GLY   1           H1       GLY   1  -4.289   9.575  -0.044
    2    H2   GLY   1           H2       GLY   1  -3.415  10.218  -1.274
    3    H3   GLY   1           H3       GLY   1  -2.642   9.563   0.022
    4    HA2  GLY   1           HA2      GLY   1  -3.581   7.373  -0.541
    5    HA3  GLY   1           HA3      GLY   1  -4.243   8.131  -2.006
    6    H    ILE   2           H        ILE   2  -2.882   6.275  -2.896
    7    HA   ILE   2           HA       ILE   2   0.047   6.675  -2.805
    8    HB   ILE   2           HB       ILE   2   0.185   4.558  -3.989
    9   HG12  ILE   2          HG12      ILE   2  -2.866   4.502  -3.946
   10   HG13  ILE   2          HG13      ILE   2  -1.883   4.745  -5.380
   11   HG21  ILE   2          HG21      ILE   2  -1.745   4.388  -1.639
   12   HG22  ILE   2          HG22      ILE   2  -0.548   3.177  -2.137
   13   HG23  ILE   2          HG23      ILE   2  -0.007   4.726  -1.493
   14   HD11  ILE   2          HD11      ILE   2  -0.901   2.527  -5.180
   15   HD12  ILE   2          HD12      ILE   2  -1.844   2.218  -3.706
   16   HD13  ILE   2          HD13      ILE   2  -2.676   2.459  -5.240
   17    H    VAL   3           H        VAL   3  -2.408   7.439  -5.169
   18    HA   VAL   3           HA       VAL   3  -0.732   7.055  -7.505
   19    HB   VAL   3           HB       VAL   3  -3.117   8.931  -7.353
   20   HG11  VAL   3          HG11      VAL   3  -1.866   7.385  -9.665
   21   HG12  VAL   3          HG12      VAL   3  -3.357   8.345  -9.763
   22   HG13  VAL   3          HG13      VAL   3  -1.821   9.144  -9.422
   23   HG21  VAL   3          HG21      VAL   3  -4.492   6.999  -8.160
   24   HG22  VAL   3          HG22      VAL   3  -3.135   5.922  -7.797
   25   HG23  VAL   3          HG23      VAL   3  -3.934   6.826  -6.493
   26    H    GLU   4           H        GLU   4  -1.594   9.820  -5.518
   27    HA   GLU   4           HA       GLU   4   0.059  11.794  -6.818
   28    HB2  GLU   4           HB2      GLU   4  -0.616  13.187  -4.926
   29    HB3  GLU   4           HB3      GLU   4  -2.004  12.384  -5.631
   30    HG2  GLU   4           HG2      GLU   4  -0.669  11.140  -3.210
   31    HG3  GLU   4           HG3      GLU   4  -1.663  12.572  -3.018
   32    H    GLN   5           H        GLN   5   1.075   9.146  -5.105
   33    HA   GLN   5           HA       GLN   5   3.650  10.529  -4.444
   34    HB2  GLN   5           HB2      GLN   5   2.642   9.207  -2.543
   35    HB3  GLN   5           HB3      GLN   5   2.721   7.759  -3.554
   36    HG2  GLN   5           HG2      GLN   5   5.255   8.297  -3.803
   37    HG3  GLN   5           HG3      GLN   5   5.027   9.418  -2.461
   38   HE21  GLN   5          HE21      GLN   5   6.569   6.793  -2.778
   39   HE22  GLN   5          HE22      GLN   5   5.912   5.718  -1.537
   40    H    CYS   6           H        CYS   6   2.361   7.414  -5.767
   41    HA   CYS   6           HA       CYS   6   4.728   6.524  -6.941
   42    HB2  CYS   6           HB2      CYS   6   1.811   6.068  -7.687
   43    HB3  CYS   6           HB3      CYS   6   3.140   5.119  -8.323
   44    H    CYS   7           H        CYS   7   2.417   8.750  -8.365
   45    HA   CYS   7           HA       CYS   7   3.403   8.301 -11.085
   46    HB2  CYS   7           HB2      CYS   7   1.012   8.791 -10.398
   47    HB3  CYS   7           HB3      CYS   7   1.498  10.444 -10.054
   48    H    THR   8           H        THR   8   3.742  10.906  -8.671
   49    HA   THR   8           HA       THR   8   5.501  12.509 -10.460
   50    HB   THR   8           HB       THR   8   5.244  14.199  -8.581
   51    HG1  THR   8           HG1      THR   8   3.557  13.745  -7.107
   52   HG21  THR   8          HG21      THR   8   2.978  14.838  -9.231
   53   HG22  THR   8          HG22      THR   8   2.645  13.203  -9.842
   54   HG23  THR   8          HG23      THR   8   3.853  14.235 -10.648
   55    H    SER   9           H        SER   9   5.655  10.658  -7.462
   56    HA   SER   9           HA       SER   9   8.626  11.029  -7.390
   57    HG   SER   9           HG       SER   9   8.761  11.186  -3.931
   58    HB2  SER   9           HB2      SER   9   7.331  12.048  -5.462
   59    HB3  SER   9           HB3      SER   9   6.820  10.407  -5.026
   60    H    ILE  10           H        ILE  10   9.110   8.922  -5.624
   61    HA   ILE  10           HA       ILE  10   8.484   6.531  -7.321
   62    HB   ILE  10           HB       ILE  10  10.871   7.250  -6.973
   63   HG12  ILE  10          HG12      ILE  10  10.213   4.452  -5.992
   64   HG13  ILE  10          HG13      ILE  10  10.166   4.994  -7.674
   65   HG21  ILE  10          HG21      ILE  10  12.008   6.832  -4.875
   66   HG22  ILE  10          HG22      ILE  10  10.650   7.910  -4.552
   67   HG23  ILE  10          HG23      ILE  10  10.532   6.187  -4.132
   68   HD11  ILE  10          HD11      ILE  10  12.232   3.813  -7.262
   69   HD12  ILE  10          HD12      ILE  10  12.569   5.519  -7.617
   70   HD13  ILE  10          HD13      ILE  10  12.658   4.921  -5.947
   71    H    CYS  11           H        CYS  11   7.690   4.587  -6.370
   72    HA   CYS  11           HA       CYS  11   7.090   4.632  -3.469
   73    HB2  CYS  11           HB2      CYS  11   4.793   4.128  -3.690
   74    HB3  CYS  11           HB3      CYS  11   5.102   5.553  -4.666
   75    H    SER  12           H        SER  12   6.495   2.625  -2.558
   76    HA   SER  12           HA       SER  12   8.127   0.452  -3.806
   77    HG   SER  12           HG       SER  12   9.452   1.459  -0.628
   78    HB2  SER  12           HB2      SER  12   7.257   0.830  -0.925
   79    HB3  SER  12           HB3      SER  12   8.379  -0.400  -1.538
   80    H    LEU  13           H        LEU  13   7.482  -1.774  -3.743
   81    HA   LEU  13           HA       LEU  13   4.715  -2.304  -4.293
   82    HG   LEU  13           HG       LEU  13   7.748  -3.196  -5.397
   83    HB2  LEU  13           HB2      LEU  13   6.883  -4.239  -3.379
   84    HB3  LEU  13           HB3      LEU  13   5.377  -4.647  -4.168
   85   HD11  LEU  13          HD11      LEU  13   6.390  -5.834  -6.104
   86   HD12  LEU  13          HD12      LEU  13   7.904  -5.667  -5.193
   87   HD13  LEU  13          HD13      LEU  13   7.832  -5.148  -6.883
   88   HD21  LEU  13          HD21      LEU  13   6.519  -3.168  -7.539
   89   HD22  LEU  13          HD22      LEU  13   5.763  -2.121  -6.338
   90   HD23  LEU  13          HD23      LEU  13   5.049  -3.713  -6.704
   91    H    TYR  14           H        TYR  14   6.590  -2.505  -1.299
   92    HA   TYR  14           HA       TYR  14   4.632  -3.638   0.406
   93    HD1  TYR  14           HD1      TYR  14   6.203  -5.182   1.627
   94    HD2  TYR  14           HD2      TYR  14   8.860  -2.053   0.293
   95    HE1  TYR  14           HE1      TYR  14   8.020  -6.856   1.301
   96    HE2  TYR  14           HE2      TYR  14  10.666  -3.718  -0.032
   97    HH   TYR  14           HH       TYR  14  11.293  -5.932   0.138
   98    HB2  TYR  14           HB2      TYR  14   6.698  -1.482   1.026
   99    HB3  TYR  14           HB3      TYR  14   5.928  -2.541   2.191
  100    H    GLN  15           H        GLN  15   4.904  -0.370  -0.833
  101    HA   GLN  15           HA       GLN  15   2.825   0.784   0.939
  102    HB2  GLN  15           HB2      GLN  15   4.282   1.929  -1.480
  103    HB3  GLN  15           HB3      GLN  15   3.131   2.804  -0.483
  104    HG2  GLN  15           HG2      GLN  15   4.553   2.640   1.472
  105    HG3  GLN  15           HG3      GLN  15   5.701   1.590   0.641
  106   HE21  GLN  15          HE21      GLN  15   6.146   4.290   1.906
  107   HE22  GLN  15          HE22      GLN  15   6.867   5.229   0.608
  108    H    LEU  16           H        LEU  16   3.133  -0.376  -2.464
  109    HA   LEU  16           HA       LEU  16   0.378   0.068  -3.180
  110    HG   LEU  16           HG       LEU  16   3.287  -0.053  -4.732
  111    HB2  LEU  16           HB2      LEU  16   2.249  -2.174  -4.083
  112    HB3  LEU  16           HB3      LEU  16   0.739  -1.713  -4.849
  113   HD11  LEU  16          HD11      LEU  16   3.255  -1.957  -6.324
  114   HD12  LEU  16          HD12      LEU  16   3.289  -0.397  -7.140
  115   HD13  LEU  16          HD13      LEU  16   1.774  -1.311  -7.062
  116   HD21  LEU  16          HD21      LEU  16   1.416   1.512  -4.601
  117   HD22  LEU  16          HD22      LEU  16   0.573   0.663  -5.919
  118   HD23  LEU  16          HD23      LEU  16   2.098   1.537  -6.227
  119    H    GLU  17           H        GLU  17   1.919  -2.701  -1.487
  120    HA   GLU  17           HA       GLU  17  -0.377  -4.296  -1.373
  121    HB2  GLU  17           HB2      GLU  17   1.913  -5.073  -0.884
  122    HB3  GLU  17           HB3      GLU  17   1.871  -4.219   0.667
  123    HG2  GLU  17           HG2      GLU  17   0.091  -5.641   1.479
  124    HG3  GLU  17           HG3      GLU  17  -0.225  -6.286  -0.135
  125    H    ASN  18           H        ASN  18   0.462  -1.538   0.705
  126    HA   ASN  18           HA       ASN  18  -1.490  -1.980   2.754
  127    HB2  ASN  18           HB2      ASN  18   0.434  -0.384   2.867
  128    HB3  ASN  18           HB3      ASN  18  -0.357   0.624   1.657
  129   HD21  ASN  18          HD21      ASN  18  -1.489   2.344   2.508
  130   HD22  ASN  18          HD22      ASN  18  -2.217   2.342   4.107
  131    H    TYR  19           H        TYR  19  -1.857  -1.017  -0.564
  132    HA   TYR  19           HA       TYR  19  -4.662  -0.089  -0.193
  133    HD1  TYR  19           HD2      TYR  19  -3.281   1.882   0.430
  134    HD2  TYR  19           HD1      TYR  19  -4.760   2.292  -3.605
  135    HE1  TYR  19           HE2      TYR  19  -4.118   4.148   0.973
  136    HE2  TYR  19           HE1      TYR  19  -5.555   4.585  -3.073
  137    HH   TYR  19           HH       TYR  19  -5.299   5.976   0.223
  138    HB2  TYR  19           HB2      TYR  19  -2.478   0.485  -2.113
  139    HB3  TYR  19           HB3      TYR  19  -4.022   0.191  -2.872
  140    H    CYS  20           H        CYS  20  -3.315  -3.081  -0.464
  141    HA   CYS  20           HA       CYS  20  -5.166  -4.235  -2.395
  142    HB2  CYS  20           HB2      CYS  20  -3.707  -5.533  -0.075
  143    HB3  CYS  20           HB3      CYS  20  -4.604  -6.384  -1.325
  144    H    ASN  21           H        ASN  21  -6.883  -5.683  -1.881
  145    HA   ASN  21           HA       ASN  21  -8.482  -5.116   0.580
  146    HB2  ASN  21           HB2      ASN  21  -9.307  -3.706  -1.289
  147    HB3  ASN  21           HB3      ASN  21  -9.437  -5.130  -2.322
  148   HD21  ASN  21          HD21      ASN  21 -10.843  -6.938  -1.317
  149   HD22  ASN  21          HD22      ASN  21 -12.395  -6.378  -0.669
  150    HA   PHE   1           HA       PHE   1  16.148  -2.553  -5.324
  151    HD1  PHE   1           HD1      PHE   1  17.100  -3.520  -3.367
  152    HD2  PHE   1           HD2      PHE   1  14.120  -1.038  -1.461
  153    HE1  PHE   1           HE1      PHE   1  17.005  -5.089  -1.457
  154    HE2  PHE   1           HE2      PHE   1  14.024  -2.633   0.441
  155    HZ   PHE   1           HZ       PHE   1  15.462  -4.655   0.444
  156    H1   PHE   1           H1       PHE   1  14.650  -0.127  -6.053
  157    H2   PHE   1           H2       PHE   1  15.210  -1.255  -7.105
  158    H3   PHE   1           H3       PHE   1  16.258  -0.356  -6.233
  159    HB2  PHE   1           HB2      PHE   1  16.648  -0.780  -3.776
  160    HB3  PHE   1           HB3      PHE   1  14.955  -0.389  -3.558
  161    H    VAL   2           H        VAL   2  13.011  -1.337  -4.075
  162    HA   VAL   2           HA       VAL   2  11.545  -3.534  -5.437
  163    HB   VAL   2           HB       VAL   2  11.255  -3.043  -2.468
  164   HG11  VAL   2          HG11      VAL   2   9.989  -5.211  -2.494
  165   HG12  VAL   2          HG12      VAL   2   9.219  -4.029  -3.538
  166   HG13  VAL   2          HG13      VAL   2  10.209  -5.312  -4.249
  167   HG21  VAL   2          HG21      VAL   2  13.447  -4.122  -2.780
  168   HG22  VAL   2          HG22      VAL   2  12.313  -5.264  -2.077
  169   HG23  VAL   2          HG23      VAL   2  12.710  -5.371  -3.803
  170    H    ASN   3           H        ASN   3  11.616  -1.096  -6.264
  171    HA   ASN   3           HA       ASN   3   9.141   0.321  -5.692
  172    HB2  ASN   3           HB2      ASN   3  10.276   2.328  -4.808
  173    HB3  ASN   3           HB3      ASN   3  10.484   0.947  -3.752
  174   HD21  ASN   3          HD21      ASN   3  12.099   3.404  -3.864
  175   HD22  ASN   3          HD22      ASN   3  13.730   2.854  -4.196
  176    H    GLN   4           H        GLN   4   8.629   2.005  -7.082
  177    HA   GLN   4           HA       GLN   4  10.283   2.525  -9.487
  178    HB2  GLN   4           HB2      GLN   4   7.682   0.912  -9.475
  179    HB3  GLN   4           HB3      GLN   4   8.314   1.683 -10.922
  180    HG2  GLN   4           HG2      GLN   4   9.698  -0.546  -9.381
  181    HG3  GLN   4           HG3      GLN   4   8.809  -0.707 -10.877
  182   HE21  GLN   4          HE21      GLN   4  11.368  -1.658 -10.937
  183   HE22  GLN   4          HE22      GLN   4  12.387  -0.555 -11.852
  184    H    HIS   5           H        HIS   5   9.196   3.978 -11.016
  185    HA   HIS   5           HA       HIS   5   7.129   5.795  -9.857
  186    HD1  HIS   5           HD1      HIS   5   8.135   8.410  -9.689
  187    HD2  HIS   5           HD2      HIS   5  11.050   6.507 -12.053
  188    HE1  HIS   5           HE1      HIS   5  10.322   9.621  -9.224
  189    HB2  HIS   5           HB2      HIS   5   8.587   5.796 -12.542
  190    HB3  HIS   5           HB3      HIS   5   7.374   6.962 -12.046
  191    H    LEU   6           H        LEU   6   4.994   5.598 -10.461
  192    HA   LEU   6           HA       LEU   6   4.134   3.682 -12.550
  193    HG   LEU   6           HG       LEU   6   5.671   2.138 -10.415
  194    HB2  LEU   6           HB2      LEU   6   3.627   3.375  -9.553
  195    HB3  LEU   6           HB3      LEU   6   2.673   2.561 -10.777
  196   HD11  LEU   6          HD11      LEU   6   3.302   0.550  -9.384
  197   HD12  LEU   6          HD12      LEU   6   4.494   1.438  -8.416
  198   HD13  LEU   6          HD13      LEU   6   4.995   0.004  -9.333
  199   HD21  LEU   6          HD21      LEU   6   4.867   1.554 -12.694
  200   HD22  LEU   6          HD22      LEU   6   3.579   0.558 -11.989
  201   HD23  LEU   6          HD23      LEU   6   5.278   0.102 -11.770
  202    H    CYS   7           H        CYS   7   2.192   4.298 -13.431
  203    HA   CYS   7           HA       CYS   7   0.313   5.948 -11.918
  204    HB2  CYS   7           HB2      CYS   7   2.186   7.415 -12.935
  205    HB3  CYS   7           HB3      CYS   7   1.405   7.117 -14.485
  206    H    GLY   8           H        GLY   8  -1.677   6.273 -12.988
  207    HA2  GLY   8           HA2      GLY   8  -3.580   5.490 -14.106
  208    HA3  GLY   8           HA3      GLY   8  -2.500   5.477 -15.496
  209    H    SER   9           H        SER   9  -2.805   3.687 -16.588
  210    HA   SER   9           HA       SER   9  -3.882   1.225 -15.665
  211    HG   SER   9           HG       SER   9  -2.158   1.996 -19.292
  212    HB2  SER   9           HB2      SER   9  -3.041   0.385 -17.873
  213    HB3  SER   9           HB3      SER   9  -4.048   1.838 -17.962
  214    H    HIS  10           H        HIS  10  -0.438   2.252 -15.952
  215    HA   HIS  10           HA       HIS  10   0.547  -0.414 -15.303
  216    HD1  HIS  10           HD1      HIS  10   2.040  -1.285 -17.029
  217    HD2  HIS  10           HD2      HIS  10   2.330   2.827 -17.946
  218    HE1  HIS  10           HE1      HIS  10   2.480  -1.129 -19.527
  219    HB2  HIS  10           HB2      HIS  10   1.871   2.309 -15.429
  220    HB3  HIS  10           HB3      HIS  10   2.724   0.836 -14.972
  221    H    LEU  11           H        LEU  11  -0.381   2.377 -13.298
  222    HA   LEU  11           HA       LEU  11   0.662   1.157 -10.847
  223    HG   LEU  11           HG       LEU  11  -1.656   2.564  -9.017
  224    HB2  LEU  11           HB2      LEU  11   0.348   3.575 -11.060
  225    HB3  LEU  11           HB3      LEU  11  -1.385   3.372 -11.305
  226   HD11  LEU  11          HD11      LEU  11   0.456   1.377  -8.595
  227   HD12  LEU  11          HD12      LEU  11   0.220   2.646  -7.394
  228   HD13  LEU  11          HD13      LEU  11   1.362   2.905  -8.721
  229   HD21  LEU  11          HD21      LEU  11   0.084   5.074  -9.122
  230   HD22  LEU  11          HD22      LEU  11  -1.062   4.648  -7.841
  231   HD23  LEU  11          HD23      LEU  11  -1.655   5.019  -9.468
  232    H    VAL  12           H        VAL  12  -2.525   1.279 -12.466
  233    HA   VAL  12           HA       VAL  12  -3.923  -0.438 -10.662
  234    HB   VAL  12           HB       VAL  12  -4.264   0.091 -13.631
  235   HG11  VAL  12          HG11      VAL  12  -6.521  -0.917 -13.481
  236   HG12  VAL  12          HG12      VAL  12  -5.254  -2.128 -13.272
  237   HG13  VAL  12          HG13      VAL  12  -6.136  -1.516 -11.854
  238   HG21  VAL  12          HG21      VAL  12  -6.201   1.412 -12.889
  239   HG22  VAL  12          HG22      VAL  12  -5.905   0.946 -11.201
  240   HG23  VAL  12          HG23      VAL  12  -4.744   1.968 -12.070
  241    H    GLU  13           H        GLU  13  -1.915  -1.293 -13.494
  242    HA   GLU  13           HA       GLU  13  -2.130  -4.122 -13.349
  243    HB2  GLU  13           HB2      GLU  13  -1.268  -2.841 -15.248
  244    HB3  GLU  13           HB3      GLU  13   0.102  -2.294 -14.288
  245    HG2  GLU  13           HG2      GLU  13   1.002  -4.572 -14.186
  246    HG3  GLU  13           HG3      GLU  13  -0.421  -5.181 -15.045
  247    H    ALA  14           H        ALA  14   0.331  -1.921 -11.874
  248    HA   ALA  14           HA       ALA  14   1.845  -3.985 -10.614
  249    HB1  ALA  14           HB1      ALA  14   2.812  -2.146  -9.297
  250    HB2  ALA  14           HB2      ALA  14   2.659  -1.687 -11.000
  251    HB3  ALA  14           HB3      ALA  14   1.495  -1.067  -9.806
  252    H    LEU  15           H        LEU  15  -0.888  -2.021  -9.330
  253    HA   LEU  15           HA       LEU  15  -1.055  -3.239  -6.751
  254    HG   LEU  15           HG       LEU  15  -1.329  -0.539  -7.398
  255    HB2  LEU  15           HB2      LEU  15  -3.115  -2.006  -8.631
  256    HB3  LEU  15           HB3      LEU  15  -3.545  -2.585  -7.030
  257   HD11  LEU  15          HD11      LEU  15  -3.442   0.293  -8.457
  258   HD12  LEU  15          HD12      LEU  15  -2.972   1.213  -7.030
  259   HD13  LEU  15          HD13      LEU  15  -4.286   0.013  -6.917
  260   HD21  LEU  15          HD21      LEU  15  -1.822  -0.013  -5.053
  261   HD22  LEU  15          HD22      LEU  15  -1.533  -1.750  -5.190
  262   HD23  LEU  15          HD23      LEU  15  -3.188  -1.148  -5.043
  263    H    TYR  16           H        TYR  16  -2.790  -4.178  -9.788
  264    HA   TYR  16           HA       TYR  16  -4.050  -6.490  -8.795
  265    HD1  TYR  16           HD2      TYR  16  -5.933  -7.738 -10.309
  266    HD2  TYR  16           HD1      TYR  16  -2.311  -7.791 -12.658
  267    HE1  TYR  16           HE2      TYR  16  -6.509 -10.006 -11.145
  268    HE2  TYR  16           HE1      TYR  16  -2.888 -10.057 -13.506
  269    HH   TYR  16           HH       TYR  16  -5.875 -11.769 -12.465
  270    HB2  TYR  16           HB2      TYR  16  -4.576  -5.582 -10.965
  271    HB3  TYR  16           HB3      TYR  16  -2.940  -5.809 -11.540
  272    H    LEU  17           H        LEU  17  -0.723  -6.201 -10.065
  273    HA   LEU  17           HA       LEU  17  -0.116  -9.025  -9.740
  274    HG   LEU  17           HG       LEU  17   0.113  -7.306 -12.163
  275    HB2  LEU  17           HB2      LEU  17   1.608  -6.561 -10.226
  276    HB3  LEU  17           HB3      LEU  17   2.260  -8.200 -10.182
  277   HD11  LEU  17          HD11      LEU  17   2.206  -6.049 -12.501
  278   HD12  LEU  17          HD12      LEU  17   1.939  -7.214 -13.808
  279   HD13  LEU  17          HD13      LEU  17   3.128  -7.572 -12.537
  280   HD21  LEU  17          HD21      LEU  17   0.108  -9.738 -11.811
  281   HD22  LEU  17          HD22      LEU  17   1.864  -9.794 -12.056
  282   HD23  LEU  17          HD23      LEU  17   0.785  -9.347 -13.398
  283    H    VAL  18           H        VAL  18   0.470  -6.221  -7.670
  284    HA   VAL  18           HA       VAL  18   2.058  -7.680  -5.711
  285    HB   VAL  18           HB       VAL  18   0.594  -5.029  -5.630
  286   HG11  VAL  18          HG11      VAL  18   1.719  -4.549  -3.472
  287   HG12  VAL  18          HG12      VAL  18   0.483  -5.793  -3.319
  288   HG13  VAL  18          HG13      VAL  18   2.201  -6.256  -3.352
  289   HG21  VAL  18          HG21      VAL  18   2.749  -5.205  -6.925
  290   HG22  VAL  18          HG22      VAL  18   2.894  -4.130  -5.526
  291   HG23  VAL  18          HG23      VAL  18   3.560  -5.770  -5.453
  292    H    CYS  19           H        CYS  19  -1.402  -6.875  -6.017
  293    HA   CYS  19           HA       CYS  19  -2.081  -8.055  -3.443
  294    HB2  CYS  19           HB2      CYS  19  -3.820  -6.999  -5.697
  295    HB3  CYS  19           HB3      CYS  19  -4.368  -7.414  -4.082
  296    H    GLY  20           H        GLY  20  -2.399  -9.138  -6.843
  297    HA2  GLY  20           HA2      GLY  20  -2.674 -11.259  -7.716
  298    HA3  GLY  20           HA3      GLY  20  -2.073 -11.857  -6.166
  299    H    GLU  21           H        GLU  21  -3.441 -12.791  -4.759
  300    HA   GLU  21           HA       GLU  21  -6.114 -13.601  -5.558
  301    HB2  GLU  21           HB2      GLU  21  -4.495 -14.984  -4.246
  302    HB3  GLU  21           HB3      GLU  21  -4.681 -13.870  -2.879
  303    HG2  GLU  21           HG2      GLU  21  -7.062 -14.465  -2.695
  304    HG3  GLU  21           HG3      GLU  21  -6.953 -15.462  -4.148
  305    H    ARG  22           H        ARG  22  -4.799 -11.018  -3.525
  306    HA   ARG  22           HA       ARG  22  -7.408 -10.178  -2.443
  307    HE   ARG  22           HE       ARG  22  -2.792 -10.514  -2.160
  308    HB2  ARG  22           HB2      ARG  22  -4.687  -8.799  -2.438
  309    HB3  ARG  22           HB3      ARG  22  -6.148  -8.156  -1.727
  310    HG2  ARG  22           HG2      ARG  22  -4.989  -8.984   0.079
  311    HG3  ARG  22           HG3      ARG  22  -6.233 -10.192  -0.219
  312    HD2  ARG  22           HD2      ARG  22  -4.082 -11.210   0.397
  313    HD3  ARG  22           HD3      ARG  22  -4.564 -11.688  -1.224
  314   HH11  ARG  22          HH11      ARG  22  -2.818  -9.749   1.307
  315   HH12  ARG  22          HH12      ARG  22  -1.199  -9.095   1.230
  316   HH21  ARG  22          HH22      ARG  22  -0.705  -9.670  -2.121
  317   HH22  ARG  22          HH21      ARG  22  -0.060  -9.035  -0.620
  318    H    GLY  23           H        GLY  23  -8.426  -8.191  -3.041
  319    HA2  GLY  23           HA2      GLY  23  -8.082  -7.239  -5.856
  320    HA3  GLY  23           HA3      GLY  23  -9.330  -6.740  -4.695
  321    H    PHE  24           H        PHE  24  -8.602  -4.579  -5.583
  322    HA   PHE  24           HA       PHE  24  -6.837  -3.338  -3.595
  323    HD1  PHE  24           HD2      PHE  24  -6.576  -1.107  -7.202
  324    HD2  PHE  24           HD1      PHE  24  -5.927  -5.371  -7.157
  325    HE1  PHE  24           HE2      PHE  24  -7.082  -1.212  -9.631
  326    HE2  PHE  24           HE1      PHE  24  -6.473  -5.475  -9.574
  327    HZ   PHE  24           HZ       PHE  24  -7.046  -3.414 -10.812
  328    HB2  PHE  24           HB2      PHE  24  -5.432  -2.230  -5.294
  329    HB3  PHE  24           HB3      PHE  24  -5.232  -3.965  -5.278
  330    H    PHE  25           H        PHE  25  -6.912  -1.076  -3.488
  331    HA   PHE  25           HA       PHE  25  -9.575   0.000  -4.097
  332    HD1  PHE  25           HD2      PHE  25 -10.894   0.770  -1.687
  333    HD2  PHE  25           HD1      PHE  25  -7.703   3.483  -2.705
  334    HE1  PHE  25           HE2      PHE  25 -12.340   2.706  -1.118
  335    HE2  PHE  25           HE1      PHE  25  -9.134   5.406  -2.105
  336    HZ   PHE  25           HZ       PHE  25 -11.471   5.024  -1.319
  337    HB2  PHE  25           HB2      PHE  25  -8.500   0.024  -1.845
  338    HB3  PHE  25           HB3      PHE  25  -7.263   1.107  -2.456
  339    H    TYR  26           H        TYR  26  -6.221   0.821  -4.871
  340    HA   TYR  26           HA       TYR  26  -5.176   2.148  -6.347
  341    HD1  TYR  26           HD2      TYR  26  -4.200   2.590  -8.732
  342    HD2  TYR  26           HD1      TYR  26  -8.368   3.551  -9.264
  343    HE1  TYR  26           HE2      TYR  26  -3.591   4.283 -10.446
  344    HE2  TYR  26           HE1      TYR  26  -7.762   5.278 -10.943
  345    HH   TYR  26           HH       TYR  26  -4.345   5.930 -11.856
  346    HB2  TYR  26           HB2      TYR  26  -6.261   0.978  -8.078
  347    HB3  TYR  26           HB3      TYR  26  -7.786   1.805  -7.829
  348    H    THR  27           H        THR  27  -8.417   3.698  -6.016
  349    HA   THR  27           HA       THR  27  -7.583   6.032  -7.261
  350    HB   THR  27           HB       THR  27  -9.723   7.055  -6.319
  351    HG1  THR  27           HG1      THR  27  -9.762   5.776  -4.400
  352   HG21  THR  27          HG21      THR  27  -9.632   5.799  -8.472
  353   HG22  THR  27          HG22      THR  27 -11.177   5.615  -7.619
  354   HG23  THR  27          HG23      THR  27  -9.985   4.293  -7.588
  355    HA   PRO  28           HA       PRO  28  -5.565   8.585  -4.261
  356    HB2  PRO  28           HB2      PRO  28  -5.815  11.074  -5.350
  357    HB3  PRO  28           HB3      PRO  28  -4.883   9.778  -6.151
  358    HG2  PRO  28           HG2      PRO  28  -7.764  10.561  -6.686
  359    HG3  PRO  28           HG3      PRO  28  -6.429  10.389  -7.869
  360    HD2  PRO  28           HD2      PRO  28  -8.190   8.375  -7.398
  361    HD3  PRO  28           HD3      PRO  28  -6.467   8.045  -7.705
  362    H    LYS  29           H        LYS  29  -5.977  10.787  -3.029
  363    HA   LYS  29           HA       LYS  29  -8.190  10.306  -1.316
  364    HB2  LYS  29           HB2      LYS  29  -7.409  12.215  -0.085
  365    HB3  LYS  29           HB3      LYS  29  -6.018  11.314  -0.671
  366    HG2  LYS  29           HG2      LYS  29  -5.810  12.994  -2.574
  367    HG3  LYS  29           HG3      LYS  29  -7.142  13.908  -1.837
  368    HD2  LYS  29           HD2      LYS  29  -5.814  14.158   0.247
  369    HD3  LYS  29           HD3      LYS  29  -4.469  13.277  -0.519
  370    HE2  LYS  29           HE2      LYS  29  -4.339  15.005  -2.291
  371    HE3  LYS  29           HE3      LYS  29  -5.697  15.874  -1.555
  372    HZ1  LYS  29           HZ1      LYS  29  -3.072  15.403  -0.253
  373    HZ2  LYS  29           HZ2      LYS  29  -4.328  16.200   0.431
  374    HZ3  LYS  29           HZ3      LYS  29  -3.572  16.825  -0.876
  375    H    THR  30           H        THR  30  -8.257  12.068  -4.249
  376    HA   THR  30           HA       THR  30 -11.021  12.853  -3.986
  377    HB   THR  30           HB       THR  30  -9.977  14.634  -2.654
  378    HG1  THR  30           HG1      THR  30 -11.091  16.269  -3.713
  379   HG21  THR  30          HG21      THR  30  -8.720  15.651  -5.238
  380   HG22  THR  30          HG22      THR  30  -7.813  14.873  -3.924
  381   HG23  THR  30          HG23      THR  30  -8.656  16.394  -3.622
  Start of MODEL   24
    1    H1   GLY   1           H1       GLY   1  -4.445  10.532  -3.254
    2    H2   GLY   1           H2       GLY   1  -6.020  10.263  -2.876
    3    H3   GLY   1           H3       GLY   1  -5.235   9.266  -3.920
    4    HA2  GLY   1           HA2      GLY   1  -4.604   9.575  -1.059
    5    HA3  GLY   1           HA3      GLY   1  -5.471   8.195  -1.753
    6    H    ILE   2           H        ILE   2  -4.296   6.750  -3.209
    7    HA   ILE   2           HA       ILE   2  -1.362   6.720  -2.615
    8    HB   ILE   2           HB       ILE   2  -1.329   4.452  -3.238
    9   HG12  ILE   2          HG12      ILE   2  -4.315   4.399  -3.815
   10   HG13  ILE   2          HG13      ILE   2  -3.122   4.624  -5.097
   11   HG21  ILE   2          HG21      ILE   2  -2.727   3.515  -1.463
   12   HG22  ILE   2          HG22      ILE   2  -2.024   5.054  -0.952
   13   HG23  ILE   2          HG23      ILE   2  -3.732   4.961  -1.443
   14   HD11  ILE   2          HD11      ILE   2  -3.616   2.311  -5.035
   15   HD12  ILE   2          HD12      ILE   2  -1.989   2.510  -4.403
   16   HD13  ILE   2          HD13      ILE   2  -3.346   2.204  -3.287
   17    H    VAL   3           H        VAL   3  -3.389   7.404  -5.372
   18    HA   VAL   3           HA       VAL   3  -1.540   6.257  -7.296
   19    HB   VAL   3           HB       VAL   3  -3.828   8.172  -7.723
   20   HG11  VAL   3          HG11      VAL   3  -2.384   8.349  -9.674
   21   HG12  VAL   3          HG12      VAL   3  -2.265   6.582  -9.794
   22   HG13  VAL   3          HG13      VAL   3  -3.812   7.399 -10.095
   23   HG21  VAL   3          HG21      VAL   3  -4.454   5.933  -6.772
   24   HG22  VAL   3          HG22      VAL   3  -5.100   6.196  -8.397
   25   HG23  VAL   3          HG23      VAL   3  -3.670   5.161  -8.143
   26    H    GLU   4           H        GLU   4  -2.181   9.645  -6.259
   27    HA   GLU   4           HA       GLU   4  -0.065  10.784  -7.885
   28    HB2  GLU   4           HB2      GLU   4  -0.526  12.803  -6.821
   29    HB3  GLU   4           HB3      GLU   4  -2.082  12.057  -7.108
   30    HG2  GLU   4           HG2      GLU   4  -0.667  12.057  -4.393
   31    HG3  GLU   4           HG3      GLU   4  -1.756  13.315  -4.939
   32    H    GLN   5           H        GLN   5  -0.322   9.362  -4.667
   33    HA   GLN   5           HA       GLN   5   2.169  10.293  -3.598
   34    HB2  GLN   5           HB2      GLN   5   0.138   9.329  -2.414
   35    HB3  GLN   5           HB3      GLN   5   0.677   7.722  -2.931
   36    HG2  GLN   5           HG2      GLN   5   2.835   8.130  -1.696
   37    HG3  GLN   5           HG3      GLN   5   2.159   9.660  -1.120
   38   HE21  GLN   5          HE21      GLN   5  -0.649   8.500  -0.696
   39   HE22  GLN   5          HE22      GLN   5  -0.438   7.498   0.730
   40    H    CYS   6           H        CYS   6   1.330   7.321  -5.471
   41    HA   CYS   6           HA       CYS   6   4.150   6.473  -5.493
   42    HB2  CYS   6           HB2      CYS   6   1.940   5.050  -5.403
   43    HB3  CYS   6           HB3      CYS   6   1.939   5.272  -7.149
   44    H    CYS   7           H        CYS   7   2.193   8.464  -7.508
   45    HA   CYS   7           HA       CYS   7   3.824   8.016  -9.953
   46    HB2  CYS   7           HB2      CYS   7   1.396   8.023 -10.092
   47    HB3  CYS   7           HB3      CYS   7   1.325   9.658  -9.443
   48    H    THR   8           H        THR   8   2.836  10.875  -7.980
   49    HA   THR   8           HA       THR   8   4.690  12.673  -9.354
   50    HB   THR   8           HB       THR   8   3.028  13.106  -6.832
   51    HG1  THR   8           HG1      THR   8   1.552  14.016  -8.336
   52   HG21  THR   8          HG21      THR   8   4.760  14.833  -7.146
   53   HG22  THR   8          HG22      THR   8   3.151  15.493  -7.483
   54   HG23  THR   8          HG23      THR   8   4.239  15.070  -8.826
   55    H    SER   9           H        SER   9   4.425  11.227  -6.109
   56    HA   SER   9           HA       SER   9   7.394  11.441  -5.763
   57    HG   SER   9           HG       SER   9   6.042  12.512  -2.695
   58    HB2  SER   9           HB2      SER   9   5.228  10.657  -3.786
   59    HB3  SER   9           HB3      SER   9   6.969  10.546  -3.479
   60    H    ILE  10           H        ILE  10   7.330   8.825  -4.203
   61    HA   ILE  10           HA       ILE  10   6.989   6.897  -6.455
   62    HB   ILE  10           HB       ILE  10   9.165   5.873  -5.872
   63   HG12  ILE  10          HG12      ILE  10   9.659   8.364  -4.184
   64   HG13  ILE  10          HG13      ILE  10   9.493   6.706  -3.600
   65   HG21  ILE  10          HG21      ILE  10   8.834   7.444  -7.780
   66   HG22  ILE  10          HG22      ILE  10   9.490   8.749  -6.773
   67   HG23  ILE  10          HG23      ILE  10  10.503   7.353  -7.210
   68   HD11  ILE  10          HD11      ILE  10  11.820   7.223  -3.619
   69   HD12  ILE  10          HD12      ILE  10  11.542   6.095  -4.961
   70   HD13  ILE  10          HD13      ILE  10  11.758   7.831  -5.281
   71    H    CYS  11           H        CYS  11   6.770   4.711  -5.873
   72    HA   CYS  11           HA       CYS  11   6.931   3.982  -3.066
   73    HB2  CYS  11           HB2      CYS  11   4.799   3.362  -2.576
   74    HB3  CYS  11           HB3      CYS  11   4.532   4.850  -3.444
   75    H    SER  12           H        SER  12   6.591   1.656  -2.694
   76    HA   SER  12           HA       SER  12   7.709   0.066  -4.989
   77    HG   SER  12           HG       SER  12   9.761  -1.753  -2.950
   78    HB2  SER  12           HB2      SER  12   9.048   0.539  -2.803
   79    HB3  SER  12           HB3      SER  12   7.991  -0.684  -2.083
   80    H    LEU  13           H        LEU  13   7.344  -2.332  -4.856
   81    HA   LEU  13           HA       LEU  13   4.552  -2.977  -4.991
   82    HG   LEU  13           HG       LEU  13   7.348  -3.484  -6.692
   83    HB2  LEU  13           HB2      LEU  13   6.974  -4.805  -4.677
   84    HB3  LEU  13           HB3      LEU  13   5.379  -5.287  -5.226
   85   HD11  LEU  13          HD11      LEU  13   6.252  -6.242  -7.374
   86   HD12  LEU  13          HD12      LEU  13   7.868  -5.891  -6.720
   87   HD13  LEU  13          HD13      LEU  13   7.423  -5.302  -8.328
   88   HD21  LEU  13          HD21      LEU  13   5.728  -3.533  -8.597
   89   HD22  LEU  13          HD22      LEU  13   5.107  -2.639  -7.205
   90   HD23  LEU  13          HD23      LEU  13   4.529  -4.290  -7.536
   91    H    TYR  14           H        TYR  14   6.937  -3.380  -2.399
   92    HA   TYR  14           HA       TYR  14   5.306  -4.816  -0.562
   93    HD1  TYR  14           HD1      TYR  14   6.922  -6.462   0.600
   94    HD2  TYR  14           HD2      TYR  14   9.412  -3.564  -1.400
   95    HE1  TYR  14           HE1      TYR  14   8.478  -8.276  -0.089
   96    HE2  TYR  14           HE2      TYR  14  10.960  -5.375  -2.108
   97    HH   TYR  14           HH       TYR  14  10.405  -8.815  -1.228
   98    HB2  TYR  14           HB2      TYR  14   7.558  -2.818  -0.112
   99    HB3  TYR  14           HB3      TYR  14   6.894  -3.876   1.121
  100    H    GLN  15           H        GLN  15   5.294  -1.418  -1.413
  101    HA   GLN  15           HA       GLN  15   3.554  -0.632   0.862
  102    HB2  GLN  15           HB2      GLN  15   4.502   0.946  -1.568
  103    HB3  GLN  15           HB3      GLN  15   3.524   1.582  -0.254
  104    HG2  GLN  15           HG2      GLN  15   5.310   1.196   1.367
  105    HG3  GLN  15           HG3      GLN  15   6.308   0.387   0.153
  106   HE21  GLN  15          HE21      GLN  15   5.140   3.565   1.252
  107   HE22  GLN  15          HE22      GLN  15   6.211   4.467   0.193
  108    H    LEU  16           H        LEU  16   3.260  -1.281  -2.681
  109    HA   LEU  16           HA       LEU  16   0.448  -0.834  -2.886
  110    HG   LEU  16           HG       LEU  16   3.136  -0.933  -4.912
  111    HB2  LEU  16           HB2      LEU  16   2.074  -3.005  -4.268
  112    HB3  LEU  16           HB3      LEU  16   0.502  -2.428  -4.750
  113   HD11  LEU  16          HD11      LEU  16   2.651  -2.625  -6.659
  114   HD12  LEU  16          HD12      LEU  16   2.689  -0.978  -7.314
  115   HD13  LEU  16          HD13      LEU  16   1.135  -1.788  -7.044
  116   HD21  LEU  16          HD21      LEU  16   1.466   0.730  -4.264
  117   HD22  LEU  16          HD22      LEU  16   0.360   0.145  -5.530
  118   HD23  LEU  16          HD23      LEU  16   1.891   0.926  -5.967
  119    H    GLU  17           H        GLU  17   2.205  -3.768  -1.881
  120    HA   GLU  17           HA       GLU  17  -0.047  -5.386  -1.357
  121    HB2  GLU  17           HB2      GLU  17   2.456  -6.009  -1.470
  122    HB3  GLU  17           HB3      GLU  17   2.604  -5.391   0.172
  123    HG2  GLU  17           HG2      GLU  17   0.961  -7.101   0.937
  124    HG3  GLU  17           HG3      GLU  17   0.819  -7.687  -0.724
  125    H    ASN  18           H        ASN  18   1.344  -2.827   0.645
  126    HA   ASN  18           HA       ASN  18  -0.286  -3.483   3.001
  127    HB2  ASN  18           HB2      ASN  18   1.986  -2.532   3.208
  128    HB3  ASN  18           HB3      ASN  18   1.470  -1.091   2.328
  129   HD21  ASN  18          HD21      ASN  18   0.546   0.599   3.506
  130   HD22  ASN  18          HD22      ASN  18   0.093   0.455   5.196
  131    H    TYR  19           H        TYR  19  -0.497  -1.241   0.201
  132    HA   TYR  19           HA       TYR  19  -2.780   0.241   1.143
  133    HD1  TYR  19           HD2      TYR  19  -1.229   1.835   1.275
  134    HD2  TYR  19           HD1      TYR  19  -0.572   1.189  -2.937
  135    HE1  TYR  19           HE2      TYR  19   0.569   3.536   1.296
  136    HE2  TYR  19           HE1      TYR  19   1.238   2.888  -2.922
  137    HH   TYR  19           HH       TYR  19   2.112   4.709   0.040
  138    HB2  TYR  19           HB2      TYR  19  -1.906  -0.368  -1.698
  139    HB3  TYR  19           HB3      TYR  19  -3.032   0.865  -1.201
  140    H    CYS  20           H        CYS  20  -2.450  -2.812  -0.707
  141    HA   CYS  20           HA       CYS  20  -5.224  -3.120  -1.374
  142    HB2  CYS  20           HB2      CYS  20  -2.987  -5.130  -0.988
  143    HB3  CYS  20           HB3      CYS  20  -4.543  -5.506  -1.731
  144    H    ASN  21           H        ASN  21  -6.645  -4.897  -0.643
  145    HA   ASN  21           HA       ASN  21  -6.756  -5.096   2.346
  146    HB2  ASN  21           HB2      ASN  21  -8.464  -3.634   1.248
  147    HB3  ASN  21           HB3      ASN  21  -9.060  -5.026   0.347
  148   HD21  ASN  21          HD21      ASN  21  -9.529  -6.974   1.888
  149   HD22  ASN  21          HD22      ASN  21 -10.514  -6.558   3.314
  150    HA   PHE   1           HA       PHE   1  12.244  -0.877  -7.014
  151    HD1  PHE   1           HD1      PHE   1   9.729  -1.124  -6.296
  152    HD2  PHE   1           HD2      PHE   1  10.559  -3.822  -9.559
  153    HE1  PHE   1           HE1      PHE   1   7.633  -0.399  -7.432
  154    HE2  PHE   1           HE2      PHE   1   8.475  -3.102 -10.679
  155    HZ   PHE   1           HZ       PHE   1   7.017  -1.389  -9.635
  156    H1   PHE   1           H1       PHE   1  13.663  -2.566  -8.959
  157    H2   PHE   1           H2       PHE   1  13.862  -0.959  -8.764
  158    H3   PHE   1           H3       PHE   1  12.436  -1.547  -9.327
  159    HB2  PHE   1           HB2      PHE   1  11.972  -3.848  -7.605
  160    HB3  PHE   1           HB3      PHE   1  11.386  -3.114  -6.130
  161    H    VAL   2           H        VAL   2  14.635  -1.846  -4.526
  162    HA   VAL   2           HA       VAL   2  11.744  -1.599  -4.642
  163    HB   VAL   2           HB       VAL   2  11.918  -0.630  -2.369
  164   HG11  VAL   2          HG11      VAL   2  11.640  -3.043  -2.767
  165   HG12  VAL   2          HG12      VAL   2  13.406  -3.254  -2.781
  166   HG13  VAL   2          HG13      VAL   2  12.581  -2.722  -1.300
  167   HG21  VAL   2          HG21      VAL   2  14.185   0.415  -2.515
  168   HG22  VAL   2          HG22      VAL   2  14.020  -0.682  -1.133
  169   HG23  VAL   2          HG23      VAL   2  14.917  -1.198  -2.575
  170    H    ASN   3           H        ASN   3  10.440   0.125  -4.527
  171    HA   ASN   3           HA       ASN   3   9.524   2.059  -4.804
  172    HB2  ASN   3           HB2      ASN   3  12.162   3.478  -4.449
  173    HB3  ASN   3           HB3      ASN   3  10.517   4.062  -4.210
  174   HD21  ASN   3          HD21      ASN   3   9.231   3.194  -2.331
  175   HD22  ASN   3          HD22      ASN   3  10.135   2.621  -0.952
  176    H    GLN   4           H        GLN   4   8.703   2.938  -6.575
  177    HA   GLN   4           HA       GLN   4  10.413   3.796  -8.821
  178    HB2  GLN   4           HB2      GLN   4   8.178   1.723  -8.950
  179    HB3  GLN   4           HB3      GLN   4   8.695   2.615 -10.368
  180    HG2  GLN   4           HG2      GLN   4  10.506   0.766  -8.764
  181    HG3  GLN   4           HG3      GLN   4   9.660   0.345 -10.239
  182   HE21  GLN   4          HE21      GLN   4  12.350   2.288  -8.933
  183   HE22  GLN   4          HE22      GLN   4  13.073   2.583 -10.517
  184    H    HIS   5           H        HIS   5   9.070   5.010 -10.464
  185    HA   HIS   5           HA       HIS   5   6.773   6.495  -9.291
  186    HD1  HIS   5           HD1      HIS   5   6.965   9.602  -9.632
  187    HD2  HIS   5           HD2      HIS   5  10.567   7.796 -10.857
  188    HE1  HIS   5           HE1      HIS   5   8.831  11.149  -8.869
  189    HB2  HIS   5           HB2      HIS   5   8.317   6.794 -11.903
  190    HB3  HIS   5           HB3      HIS   5   6.825   7.647 -11.536
  191    H    LEU   6           H        LEU   6   4.861   5.465  -9.511
  192    HA   LEU   6           HA       LEU   6   4.281   3.856 -11.966
  193    HG   LEU   6           HG       LEU   6   5.868   2.455  -9.632
  194    HB2  LEU   6           HB2      LEU   6   3.561   3.242  -9.081
  195    HB3  LEU   6           HB3      LEU   6   2.934   2.361 -10.475
  196   HD11  LEU   6          HD11      LEU   6   4.428   1.313  -7.977
  197   HD12  LEU   6          HD12      LEU   6   5.478   0.170  -8.813
  198   HD13  LEU   6          HD13      LEU   6   3.757   0.281  -9.259
  199   HD21  LEU   6          HD21      LEU   6   6.120   0.542 -11.187
  200   HD22  LEU   6          HD22      LEU   6   5.603   1.991 -12.055
  201   HD23  LEU   6          HD23      LEU   6   4.426   0.712 -11.692
  202    H    CYS   7           H        CYS   7   2.414   4.414 -12.924
  203    HA   CYS   7           HA       CYS   7   0.431   6.115 -11.509
  204    HB2  CYS   7           HB2      CYS   7   2.430   7.255 -12.941
  205    HB3  CYS   7           HB3      CYS   7   1.305   6.973 -14.246
  206    H    GLY   8           H        GLY   8  -1.525   6.280 -12.532
  207    HA2  GLY   8           HA2      GLY   8  -3.448   5.454 -13.588
  208    HA3  GLY   8           HA3      GLY   8  -2.407   5.593 -14.994
  209    H    SER   9           H        SER   9  -2.577   3.888 -16.254
  210    HA   SER   9           HA       SER   9  -3.675   1.348 -15.520
  211    HG   SER   9           HG       SER   9  -2.035   2.476 -19.087
  212    HB2  SER   9           HB2      SER   9  -2.823   0.711 -17.814
  213    HB3  SER   9           HB3      SER   9  -3.896   2.119 -17.758
  214    H    HIS  10           H        HIS  10  -0.262   2.433 -15.869
  215    HA   HIS  10           HA       HIS  10   0.903  -0.169 -15.534
  216    HD1  HIS  10           HD1      HIS  10   2.638   4.088 -16.808
  217    HD2  HIS  10           HD2      HIS  10   1.807   0.106 -17.869
  218    HE1  HIS  10           HE1      HIS  10   2.695   4.002 -19.358
  219    HB2  HIS  10           HB2      HIS  10   2.061   2.553 -14.798
  220    HB3  HIS  10           HB3      HIS  10   2.968   1.072 -15.106
  221    H    LEU  11           H        LEU  11  -0.050   2.329 -13.155
  222    HA   LEU  11           HA       LEU  11   0.866   0.849 -10.832
  223    HG   LEU  11           HG       LEU  11  -1.576   1.960  -9.002
  224    HB2  LEU  11           HB2      LEU  11   0.504   3.278 -10.779
  225    HB3  LEU  11           HB3      LEU  11  -1.202   3.066 -11.154
  226   HD11  LEU  11          HD11      LEU  11   0.162   1.991  -7.233
  227   HD12  LEU  11          HD12      LEU  11   1.369   2.520  -8.421
  228   HD13  LEU  11          HD13      LEU  11   0.626   0.909  -8.554
  229   HD21  LEU  11          HD21      LEU  11  -1.772   4.403  -9.237
  230   HD22  LEU  11          HD22      LEU  11  -0.083   4.603  -8.725
  231   HD23  LEU  11          HD23      LEU  11  -1.283   3.937  -7.597
  232    H    VAL  12           H        VAL  12  -2.326   1.104 -12.468
  233    HA   VAL  12           HA       VAL  12  -3.700  -0.726 -10.775
  234    HB   VAL  12           HB       VAL  12  -4.139  -0.019 -13.691
  235   HG11  VAL  12          HG11      VAL  12  -6.408  -1.043 -13.457
  236   HG12  VAL  12          HG12      VAL  12  -5.119  -2.239 -13.471
  237   HG13  VAL  12          HG13      VAL  12  -5.895  -1.788 -11.933
  238   HG21  VAL  12          HG21      VAL  12  -6.063   1.228 -12.788
  239   HG22  VAL  12          HG22      VAL  12  -5.675   0.667 -11.139
  240   HG23  VAL  12          HG23      VAL  12  -4.576   1.757 -11.997
  241    H    GLU  13           H        GLU  13  -1.661  -1.437 -13.645
  242    HA   GLU  13           HA       GLU  13  -2.027  -4.279 -13.570
  243    HB2  GLU  13           HB2      GLU  13   0.140  -2.465 -14.687
  244    HB3  GLU  13           HB3      GLU  13   0.247  -4.217 -14.769
  245    HG2  GLU  13           HG2      GLU  13  -1.926  -4.325 -15.957
  246    HG3  GLU  13           HG3      GLU  13  -2.020  -2.565 -15.954
  247    H    ALA  14           H        ALA  14   0.519  -2.190 -12.029
  248    HA   ALA  14           HA       ALA  14   1.923  -4.351 -10.802
  249    HB1  ALA  14           HB1      ALA  14   2.804  -2.052 -11.056
  250    HB2  ALA  14           HB2      ALA  14   1.618  -1.457  -9.874
  251    HB3  ALA  14           HB3      ALA  14   2.886  -2.597  -9.371
  252    H    LEU  15           H        LEU  15  -0.747  -2.342  -9.517
  253    HA   LEU  15           HA       LEU  15  -1.109  -3.605  -6.990
  254    HG   LEU  15           HG       LEU  15  -1.228  -0.871  -7.510
  255    HB2  LEU  15           HB2      LEU  15  -2.943  -2.187  -8.965
  256    HB3  LEU  15           HB3      LEU  15  -3.567  -2.818  -7.462
  257   HD11  LEU  15          HD11      LEU  15  -2.903   0.911  -7.056
  258   HD12  LEU  15          HD12      LEU  15  -4.210  -0.261  -7.328
  259   HD13  LEU  15          HD13      LEU  15  -3.131   0.188  -8.658
  260   HD21  LEU  15          HD21      LEU  15  -1.905  -0.415  -5.195
  261   HD22  LEU  15          HD22      LEU  15  -1.636  -2.155  -5.373
  262   HD23  LEU  15          HD23      LEU  15  -3.285  -1.509  -5.338
  263    H    TYR  16           H        TYR  16  -2.687  -4.436 -10.144
  264    HA   TYR  16           HA       TYR  16  -4.052  -6.725  -9.138
  265    HD1  TYR  16           HD2      TYR  16  -6.236  -7.486 -10.488
  266    HD2  TYR  16           HD1      TYR  16  -2.828  -8.145 -13.059
  267    HE1  TYR  16           HE2      TYR  16  -7.225  -9.640 -11.237
  268    HE2  TYR  16           HE1      TYR  16  -3.817 -10.303 -13.808
  269    HH   TYR  16           HH       TYR  16  -6.970 -11.500 -12.576
  270    HB2  TYR  16           HB2      TYR  16  -4.634  -5.599 -11.229
  271    HB3  TYR  16           HB3      TYR  16  -3.091  -6.052 -11.942
  272    H    LEU  17           H        LEU  17  -0.749  -6.472 -10.492
  273    HA   LEU  17           HA       LEU  17  -0.281  -9.331 -10.391
  274    HG   LEU  17           HG       LEU  17   0.117  -7.555 -12.644
  275    HB2  LEU  17           HB2      LEU  17   1.566  -6.914 -10.612
  276    HB3  LEU  17           HB3      LEU  17   2.170  -8.564 -10.629
  277   HD11  LEU  17          HD11      LEU  17   2.201  -6.244 -12.842
  278   HD12  LEU  17          HD12      LEU  17   2.000  -7.336 -14.223
  279   HD13  LEU  17          HD13      LEU  17   3.148  -7.749 -12.925
  280   HD21  LEU  17          HD21      LEU  17   1.908 -10.017 -12.619
  281   HD22  LEU  17          HD22      LEU  17   0.865  -9.510 -13.968
  282   HD23  LEU  17          HD23      LEU  17   0.140  -9.999 -12.436
  283    H    VAL  18           H        VAL  18   0.269  -6.780  -8.031
  284    HA   VAL  18           HA       VAL  18   1.662  -8.580  -6.166
  285    HB   VAL  18           HB       VAL  18   0.522  -5.783  -5.820
  286   HG11  VAL  18          HG11      VAL  18   0.613  -6.845  -3.578
  287   HG12  VAL  18          HG12      VAL  18   2.288  -7.340  -3.873
  288   HG13  VAL  18          HG13      VAL  18   1.860  -5.617  -3.757
  289   HG21  VAL  18          HG21      VAL  18   3.418  -6.766  -5.994
  290   HG22  VAL  18          HG22      VAL  18   2.550  -6.018  -7.334
  291   HG23  VAL  18          HG23      VAL  18   2.878  -5.079  -5.876
  292    H    CYS  19           H        CYS  19  -1.674  -7.397  -6.570
  293    HA   CYS  19           HA       CYS  19  -2.505  -8.782  -4.051
  294    HB2  CYS  19           HB2      CYS  19  -3.679  -6.329  -5.381
  295    HB3  CYS  19           HB3      CYS  19  -4.094  -6.978  -3.801
  296    H    GLY  20           H        GLY  20  -2.917  -9.388  -7.261
  297    HA2  GLY  20           HA2      GLY  20  -5.582  -9.141  -7.871
  298    HA3  GLY  20           HA3      GLY  20  -4.550 -10.403  -8.563
  299    H    GLU  21           H        GLU  21  -4.330 -11.796  -5.896
  300    HA   GLU  21           HA       GLU  21  -6.849 -13.293  -5.976
  301    HB2  GLU  21           HB2      GLU  21  -5.801 -14.816  -4.450
  302    HB3  GLU  21           HB3      GLU  21  -4.688 -14.422  -5.758
  303    HG2  GLU  21           HG2      GLU  21  -3.512 -12.815  -4.217
  304    HG3  GLU  21           HG3      GLU  21  -4.595 -13.319  -2.915
  305    H    ARG  22           H        ARG  22  -5.640 -10.680  -4.062
  306    HA   ARG  22           HA       ARG  22  -7.526 -11.050  -1.791
  307    HE   ARG  22           HE       ARG  22  -4.860  -8.589   0.782
  308    HB2  ARG  22           HB2      ARG  22  -5.371  -8.977  -2.416
  309    HB3  ARG  22           HB3      ARG  22  -6.399  -8.937  -0.990
  310    HG2  ARG  22           HG2      ARG  22  -5.446 -10.926  -0.083
  311    HG3  ARG  22           HG3      ARG  22  -4.657 -11.345  -1.608
  312    HD2  ARG  22           HD2      ARG  22  -3.013 -10.494  -0.038
  313    HD3  ARG  22           HD3      ARG  22  -3.161  -9.436  -1.440
  314   HH11  ARG  22          HH11      ARG  22  -1.517  -8.305  -0.428
  315   HH12  ARG  22          HH12      ARG  22  -1.294  -6.817   0.480
  316   HH21  ARG  22          HH21      ARG  22  -4.440  -6.801   1.854
  317   HH22  ARG  22          HH22      ARG  22  -2.879  -5.976   1.744
  318    H    GLY  23           H        GLY  23  -6.863  -8.840  -4.482
  319    HA2  GLY  23           HA2      GLY  23  -8.444  -7.365  -5.572
  320    HA3  GLY  23           HA3      GLY  23  -9.415  -7.295  -4.083
  321    H    PHE  24           H        PHE  24  -7.904  -5.248  -5.794
  322    HA   PHE  24           HA       PHE  24  -5.944  -4.210  -3.820
  323    HD1  PHE  24           HD2      PHE  24  -6.384  -1.386  -6.864
  324    HD2  PHE  24           HD1      PHE  24  -6.331  -5.574  -7.895
  325    HE1  PHE  24           HE2      PHE  24  -7.417  -0.863  -9.056
  326    HE2  PHE  24           HE1      PHE  24  -7.350  -5.043 -10.093
  327    HZ   PHE  24           HZ       PHE  24  -7.899  -2.684 -10.679
  328    HB2  PHE  24           HB2      PHE  24  -4.936  -3.049  -5.657
  329    HB3  PHE  24           HB3      PHE  24  -5.063  -4.751  -6.009
  330    H    PHE  25           H        PHE  25  -5.602  -1.892  -3.759
  331    HA   PHE  25           HA       PHE  25  -8.129  -0.303  -3.588
  332    HD1  PHE  25           HD2      PHE  25  -9.130   0.668  -1.416
  333    HD2  PHE  25           HD1      PHE  25  -5.085   2.162  -1.486
  334    HE1  PHE  25           HE2      PHE  25  -9.889   2.788  -0.360
  335    HE2  PHE  25           HE1      PHE  25  -5.852   4.270  -0.425
  336    HZ   PHE  25           HZ       PHE  25  -8.251   4.585   0.142
  337    HB2  PHE  25           HB2      PHE  25  -6.960  -0.843  -1.451
  338    HB3  PHE  25           HB3      PHE  25  -5.500  -0.081  -2.072
  339    H    TYR  26           H        TYR  26  -8.047   1.847  -4.405
  340    HA   TYR  26           HA       TYR  26  -5.689   2.909  -5.778
  341    HD1  TYR  26           HD2      TYR  26  -8.516   4.040  -8.587
  342    HD2  TYR  26           HD1      TYR  26  -4.616   2.195  -8.553
  343    HE1  TYR  26           HE2      TYR  26  -7.837   5.435 -10.529
  344    HE2  TYR  26           HE1      TYR  26  -3.939   3.586 -10.501
  345    HH   TYR  26           HH       TYR  26  -6.171   5.943 -12.028
  346    HB2  TYR  26           HB2      TYR  26  -6.503   1.185  -7.373
  347    HB3  TYR  26           HB3      TYR  26  -8.091   1.923  -7.362
  348    H    THR  27           H        THR  27  -5.776   5.017  -5.267
  349    HA   THR  27           HA       THR  27  -8.327   6.539  -5.413
  350    HB   THR  27           HB       THR  27  -7.617   7.682  -3.280
  351    HG1  THR  27           HG1      THR  27  -6.405   6.002  -1.977
  352   HG21  THR  27          HG21      THR  27  -8.677   6.055  -1.860
  353   HG22  THR  27          HG22      THR  27  -8.321   4.735  -2.992
  354   HG23  THR  27          HG23      THR  27  -9.479   6.019  -3.431
  355    HA   PRO  28           HA       PRO  28  -5.326   9.439  -7.258
  356    HB2  PRO  28           HB2      PRO  28  -6.998  10.821  -8.851
  357    HB3  PRO  28           HB3      PRO  28  -6.561   9.124  -9.220
  358    HG2  PRO  28           HG2      PRO  28  -9.040  10.142  -7.789
  359    HG3  PRO  28           HG3      PRO  28  -8.955   9.000  -9.171
  360    HD2  PRO  28           HD2      PRO  28  -9.146   8.190  -6.551
  361    HD3  PRO  28           HD3      PRO  28  -8.266   7.242  -7.791
  362    H    LYS  29           H        LYS  29  -5.418  11.910  -7.484
  363    HA   LYS  29           HA       LYS  29  -6.158  13.176  -4.955
  364    HB2  LYS  29           HB2      LYS  29  -5.117  15.143  -5.909
  365    HB3  LYS  29           HB3      LYS  29  -4.077  13.744  -6.143
  366    HG2  LYS  29           HG2      LYS  29  -4.784  13.555  -8.493
  367    HG3  LYS  29           HG3      LYS  29  -5.906  14.908  -8.302
  368    HD2  LYS  29           HD2      LYS  29  -2.881  15.062  -7.962
  369    HD3  LYS  29           HD3      LYS  29  -3.745  15.511  -9.431
  370    HE2  LYS  29           HE2      LYS  29  -4.121  16.838  -6.700
  371    HE3  LYS  29           HE3      LYS  29  -3.084  17.453  -7.988
  372    HZ1  LYS  29           HZ1      LYS  29  -5.188  18.566  -8.056
  373    HZ2  LYS  29           HZ2      LYS  29  -6.045  17.181  -8.133
  374    HZ3  LYS  29           HZ3      LYS  29  -5.092  17.629  -9.393
  375    H    THR  30           H        THR  30  -7.311  15.293  -4.980
  376    HA   THR  30           HA       THR  30  -9.974  15.257  -6.065
  377    HB   THR  30           HB       THR  30  -8.391  17.663  -5.093
  378    HG1  THR  30           HG1      THR  30  -9.226  17.117  -3.073
  379   HG21  THR  30          HG21      THR  30 -10.552  18.260  -6.131
  380   HG22  THR  30          HG22      THR  30 -10.635  18.480  -4.379
  381   HG23  THR  30          HG23      THR  30 -11.387  17.054  -5.129
  Start of MODEL   25
    1    H1   GLY   1           H1       GLY   1  -4.558  11.712  -3.872
    2    H2   GLY   1           H2       GLY   1  -3.639  12.019  -2.546
    3    H3   GLY   1           H3       GLY   1  -5.278  11.960  -2.429
    4    HA2  GLY   1           HA2      GLY   1  -4.298   9.926  -1.539
    5    HA3  GLY   1           HA3      GLY   1  -5.327   9.631  -2.953
    6    H    ILE   2           H        ILE   2  -3.815   7.624  -2.645
    7    HA   ILE   2           HA       ILE   2  -1.015   7.998  -3.163
    8    HB   ILE   2           HB       ILE   2  -0.722   5.649  -2.939
    9   HG12  ILE   2          HG12      ILE   2  -2.729   4.186  -2.321
   10   HG13  ILE   2          HG13      ILE   2  -3.740   5.345  -3.173
   11   HG21  ILE   2          HG21      ILE   2  -1.577   5.405  -0.675
   12   HG22  ILE   2          HG22      ILE   2  -1.056   7.070  -0.957
   13   HG23  ILE   2          HG23      ILE   2  -2.790   6.659  -0.944
   14   HD11  ILE   2          HD11      ILE   2  -2.662   4.798  -5.282
   15   HD12  ILE   2          HD12      ILE   2  -1.359   3.920  -4.451
   16   HD13  ILE   2          HD13      ILE   2  -3.006   3.273  -4.461
   17    H    VAL   3           H        VAL   3  -3.580   7.462  -5.443
   18    HA   VAL   3           HA       VAL   3  -1.991   6.576  -7.653
   19    HB   VAL   3           HB       VAL   3  -4.464   8.319  -7.537
   20   HG11  VAL   3          HG11      VAL   3  -3.137   7.232 -10.063
   21   HG12  VAL   3          HG12      VAL   3  -4.776   7.904  -9.976
   22   HG13  VAL   3          HG13      VAL   3  -3.396   8.947  -9.653
   23   HG21  VAL   3          HG21      VAL   3  -5.605   6.319  -8.346
   24   HG22  VAL   3          HG22      VAL   3  -4.073   5.449  -8.517
   25   HG23  VAL   3          HG23      VAL   3  -4.665   5.888  -6.909
   26    H    GLU   4           H        GLU   4  -2.318   9.842  -6.244
   27    HA   GLU   4           HA       GLU   4  -0.648  11.020  -8.356
   28    HB2  GLU   4           HB2      GLU   4  -2.451  12.289  -7.225
   29    HB3  GLU   4           HB3      GLU   4  -1.529  12.247  -5.713
   30    HG2  GLU   4           HG2      GLU   4   0.235  13.579  -6.680
   31    HG3  GLU   4           HG3      GLU   4  -0.382  13.340  -8.315
   32    H    GLN   5           H        GLN   5  -0.247  10.041  -4.909
   33    HA   GLN   5           HA       GLN   5   2.392  10.991  -4.590
   34    HB2  GLN   5           HB2      GLN   5   0.772  10.123  -2.826
   35    HB3  GLN   5           HB3      GLN   5   1.275   8.483  -3.246
   36    HG2  GLN   5           HG2      GLN   5   3.324  10.586  -2.466
   37    HG3  GLN   5           HG3      GLN   5   2.358   9.803  -1.235
   38   HE21  GLN   5          HE21      GLN   5   4.666   8.966  -3.927
   39   HE22  GLN   5          HE22      GLN   5   5.373   7.632  -3.044
   40    H    CYS   6           H        CYS   6   1.360   7.686  -5.630
   41    HA   CYS   6           HA       CYS   6   3.978   6.624  -6.072
   42    HB2  CYS   6           HB2      CYS   6   1.199   6.047  -7.142
   43    HB3  CYS   6           HB3      CYS   6   2.590   5.182  -7.759
   44    H    CYS   7           H        CYS   7   2.198   8.935  -7.952
   45    HA   CYS   7           HA       CYS   7   3.672   8.305 -10.455
   46    HB2  CYS   7           HB2      CYS   7   1.216   8.527 -10.430
   47    HB3  CYS   7           HB3      CYS   7   1.360  10.202  -9.903
   48    H    THR   8           H        THR   8   3.045  11.179  -8.373
   49    HA   THR   8           HA       THR   8   5.006  12.802  -9.821
   50    HB   THR   8           HB       THR   8   2.828  13.625  -8.767
   51    HG1  THR   8           HG1      THR   8   4.371  15.021  -9.566
   52   HG21  THR   8          HG21      THR   8   4.512  13.880  -6.240
   53   HG22  THR   8          HG22      THR   8   3.233  12.668  -6.439
   54   HG23  THR   8          HG23      THR   8   2.834  14.388  -6.505
   55    H    SER   9           H        SER   9   4.973  11.000  -6.806
   56    HA   SER   9           HA       SER   9   7.950  11.323  -6.589
   57    HG   SER   9           HG       SER   9   7.502  12.915  -4.605
   58    HB2  SER   9           HB2      SER   9   5.985  10.492  -4.416
   59    HB3  SER   9           HB3      SER   9   7.736  10.660  -4.245
   60    H    ILE  10           H        ILE  10   8.276   8.939  -5.045
   61    HA   ILE  10           HA       ILE  10   7.495   6.804  -6.993
   62    HB   ILE  10           HB       ILE  10   9.489   5.589  -6.258
   63   HG12  ILE  10          HG12      ILE  10  10.218   8.096  -4.679
   64   HG13  ILE  10          HG13      ILE  10   9.830   6.506  -4.019
   65   HG21  ILE  10          HG21      ILE  10   9.477   7.039  -8.279
   66   HG22  ILE  10          HG22      ILE  10  10.236   8.334  -7.325
   67   HG23  ILE  10          HG23      ILE  10  11.085   6.792  -7.597
   68   HD11  ILE  10          HD11      ILE  10  12.282   7.275  -5.639
   69   HD12  ILE  10          HD12      ILE  10  12.201   6.769  -3.944
   70   HD13  ILE  10          HD13      ILE  10  11.860   5.595  -5.233
   71    H    CYS  11           H        CYS  11   7.022   4.719  -6.134
   72    HA   CYS  11           HA       CYS  11   6.649   4.543  -3.201
   73    HB2  CYS  11           HB2      CYS  11   4.391   3.820  -3.271
   74    HB3  CYS  11           HB3      CYS  11   4.498   5.358  -4.112
   75    H    SER  12           H        SER  12   6.227   2.368  -2.433
   76    HA   SER  12           HA       SER  12   8.188   0.579  -3.724
   77    HG   SER  12           HG       SER  12   9.246   1.705  -1.529
   78    HB2  SER  12           HB2      SER  12   6.864   0.248  -1.015
   79    HB3  SER  12           HB3      SER  12   8.416  -0.406  -1.565
   80    H    LEU  13           H        LEU  13   7.807  -1.657  -4.194
   81    HA   LEU  13           HA       LEU  13   5.167  -2.630  -4.730
   82    HG   LEU  13           HG       LEU  13   8.175  -2.883  -6.064
   83    HB2  LEU  13           HB2      LEU  13   7.716  -4.156  -4.033
   84    HB3  LEU  13           HB3      LEU  13   6.262  -4.844  -4.738
   85   HD11  LEU  13          HD11      LEU  13   8.569  -4.748  -7.620
   86   HD12  LEU  13          HD12      LEU  13   7.400  -5.757  -6.742
   87   HD13  LEU  13          HD13      LEU  13   8.907  -5.249  -5.952
   88   HD21  LEU  13          HD21      LEU  13   5.539  -3.973  -7.132
   89   HD22  LEU  13          HD22      LEU  13   6.772  -3.152  -8.112
   90   HD23  LEU  13          HD23      LEU  13   5.945  -2.268  -6.827
   91    H    TYR  14           H        TYR  14   7.121  -2.719  -1.770
   92    HA   TYR  14           HA       TYR  14   5.353  -4.309  -0.216
   93    HD1  TYR  14           HD2      TYR  14   6.293  -5.384   2.008
   94    HD2  TYR  14           HD1      TYR  14   6.640  -1.131   2.613
   95    HE1  TYR  14           HE2      TYR  14   5.690  -5.677   4.405
   96    HE2  TYR  14           HE1      TYR  14   6.030  -1.415   5.006
   97    HH   TYR  14           HH       TYR  14   5.437  -2.898   6.664
   98    HB2  TYR  14           HB2      TYR  14   7.664  -3.755   0.431
   99    HB3  TYR  14           HB3      TYR  14   7.256  -2.049   0.544
  100    H    GLN  15           H        GLN  15   5.111  -0.936  -1.159
  101    HA   GLN  15           HA       GLN  15   2.900  -0.383   0.746
  102    HB2  GLN  15           HB2      GLN  15   4.229   1.326  -1.390
  103    HB3  GLN  15           HB3      GLN  15   2.817   1.831  -0.480
  104    HG2  GLN  15           HG2      GLN  15   5.504   1.103   0.762
  105    HG3  GLN  15           HG3      GLN  15   4.945   2.738   0.438
  106   HE21  GLN  15          HE21      GLN  15   5.690   2.312   2.994
  107   HE22  GLN  15          HE22      GLN  15   4.277   2.152   4.024
  108    H    LEU  16           H        LEU  16   3.356  -1.068  -2.774
  109    HA   LEU  16           HA       LEU  16   0.565  -1.019  -3.403
  110    HG   LEU  16           HG       LEU  16   3.514  -0.765  -5.021
  111    HB2  LEU  16           HB2      LEU  16   2.659  -2.946  -4.477
  112    HB3  LEU  16           HB3      LEU  16   1.102  -2.600  -5.195
  113   HD11  LEU  16          HD11      LEU  16   1.924  -1.841  -7.373
  114   HD12  LEU  16          HD12      LEU  16   3.459  -2.518  -6.783
  115   HD13  LEU  16          HD13      LEU  16   3.420  -0.888  -7.443
  116   HD21  LEU  16          HD21      LEU  16   2.193   0.935  -6.251
  117   HD22  LEU  16          HD22      LEU  16   1.567   0.685  -4.626
  118   HD23  LEU  16          HD23      LEU  16   0.727  -0.039  -6.016
  119    H    GLU  17           H        GLU  17   2.527  -3.581  -1.847
  120    HA   GLU  17           HA       GLU  17   0.350  -5.387  -1.581
  121    HB2  GLU  17           HB2      GLU  17   2.729  -6.020  -1.407
  122    HB3  GLU  17           HB3      GLU  17   2.791  -5.266   0.198
  123    HG2  GLU  17           HG2      GLU  17   1.159  -6.828   1.071
  124    HG3  GLU  17           HG3      GLU  17   0.727  -7.370  -0.552
  125    H    ASN  18           H        ASN  18   1.430  -2.718   0.524
  126    HA   ASN  18           HA       ASN  18  -0.403  -3.184   2.683
  127    HB2  ASN  18           HB2      ASN  18   1.677  -1.741   2.709
  128    HB3  ASN  18           HB3      ASN  18   0.808  -0.574   1.708
  129   HD21  ASN  18          HD21      ASN  18   1.221   1.000   3.349
  130   HD22  ASN  18          HD22      ASN  18   0.209   1.029   4.793
  131    H    TYR  19           H        TYR  19  -0.858  -1.852  -0.541
  132    HA   TYR  19           HA       TYR  19  -3.521  -0.718   0.048
  133    HD1  TYR  19           HD2      TYR  19  -2.362   1.108   0.581
  134    HD2  TYR  19           HD1      TYR  19  -0.760   0.977  -3.422
  135    HE1  TYR  19           HE2      TYR  19  -0.859   3.004   1.113
  136    HE2  TYR  19           HE1      TYR  19   0.724   2.876  -2.898
  137    HH   TYR  19           HH       TYR  19   1.447   4.355  -1.278
  138    HB2  TYR  19           HB2      TYR  19  -1.952  -0.930  -2.539
  139    HB3  TYR  19           HB3      TYR  19  -3.410  -0.009  -2.283
  140    H    CYS  20           H        CYS  20  -2.475  -3.839  -0.504
  141    HA   CYS  20           HA       CYS  20  -4.548  -4.820  -2.257
  142    HB2  CYS  20           HB2      CYS  20  -3.015  -6.267  -0.087
  143    HB3  CYS  20           HB3      CYS  20  -4.021  -7.034  -1.306
  144    H    ASN  21           H        ASN  21  -6.237  -6.221  -1.718
  145    HA   ASN  21           HA       ASN  21  -8.291  -6.647  -0.972
  146    HB2  ASN  21           HB2      ASN  21  -6.723  -7.989   0.518
  147    HB3  ASN  21           HB3      ASN  21  -7.012  -6.794   1.786
  148   HD21  ASN  21          HD21      ASN  21  -8.873  -8.786  -0.573
  149   HD22  ASN  21          HD22      ASN  21 -10.104  -9.276   0.598
  150    HA   PHE   1           HA       PHE   1  11.313  -5.309  -2.897
  151    HD1  PHE   1           HD2      PHE   1   9.016  -5.763  -1.902
  152    HD2  PHE   1           HD1      PHE   1  11.300  -4.189   1.416
  153    HE1  PHE   1           HE2      PHE   1   7.848  -7.306  -0.349
  154    HE2  PHE   1           HE1      PHE   1  10.123  -5.740   2.954
  155    HZ   PHE   1           HZ       PHE   1   8.394  -7.299   2.070
  156    H1   PHE   1           H1       PHE   1  13.547  -5.887  -2.286
  157    H2   PHE   1           H2       PHE   1  12.538  -6.094  -1.010
  158    H3   PHE   1           H3       PHE   1  13.553  -4.801  -1.061
  159    HB2  PHE   1           HB2      PHE   1  11.548  -3.208  -0.713
  160    HB3  PHE   1           HB3      PHE   1  10.206  -3.368  -1.839
  161    H    VAL   2           H        VAL   2  10.715  -2.942  -3.887
  162    HA   VAL   2           HA       VAL   2  13.024  -1.318  -4.587
  163    HB   VAL   2           HB       VAL   2  13.239  -3.251  -6.148
  164   HG11  VAL   2          HG11      VAL   2  10.856  -3.825  -6.446
  165   HG12  VAL   2          HG12      VAL   2  10.603  -2.332  -7.369
  166   HG13  VAL   2          HG13      VAL   2  11.691  -3.589  -7.985
  167   HG21  VAL   2          HG21      VAL   2  13.651  -2.009  -8.137
  168   HG22  VAL   2          HG22      VAL   2  12.538  -0.718  -7.660
  169   HG23  VAL   2          HG23      VAL   2  14.052  -0.968  -6.760
  170    H    ASN   3           H        ASN   3  12.453   0.645  -5.589
  171    HA   ASN   3           HA       ASN   3   9.568   1.404  -5.340
  172    HB2  ASN   3           HB2      ASN   3  12.070   3.132  -5.128
  173    HB3  ASN   3           HB3      ASN   3  10.402   3.688  -4.953
  174   HD21  ASN   3          HD21      ASN   3  12.268   4.208  -2.956
  175   HD22  ASN   3          HD22      ASN   3  11.849   3.253  -1.549
  176    H    GLN   4           H        GLN   4   8.581   2.638  -6.927
  177    HA   GLN   4           HA       GLN   4  10.078   3.294  -9.427
  178    HB2  GLN   4           HB2      GLN   4   7.565   1.563  -9.239
  179    HB3  GLN   4           HB3      GLN   4   8.193   2.255 -10.740
  180    HG2  GLN   4           HG2      GLN   4  10.324   0.962 -10.414
  181    HG3  GLN   4           HG3      GLN   4   9.605   0.199  -8.989
  182   HE21  GLN   4          HE21      GLN   4   7.461  -1.030  -9.387
  183   HE22  GLN   4          HE22      GLN   4   7.328  -1.843 -10.935
  184    H    HIS   5           H        HIS   5   8.915   4.751 -10.829
  185    HA   HIS   5           HA       HIS   5   6.740   6.376  -9.616
  186    HD1  HIS   5           HD1      HIS   5   7.363   9.127  -9.487
  187    HD2  HIS   5           HD2      HIS   5  10.460   7.602 -11.890
  188    HE1  HIS   5           HE1      HIS   5   9.377  10.631  -9.093
  189    HB2  HIS   5           HB2      HIS   5   8.153   6.539 -12.317
  190    HB3  HIS   5           HB3      HIS   5   6.784   7.525 -11.843
  191    H    LEU   6           H        LEU   6   4.697   5.796  -9.960
  192    HA   LEU   6           HA       LEU   6   3.906   3.970 -12.182
  193    HG   LEU   6           HG       LEU   6   5.558   2.618  -9.961
  194    HB2  LEU   6           HB2      LEU   6   3.393   3.631  -9.204
  195    HB3  LEU   6           HB3      LEU   6   2.553   2.712 -10.447
  196   HD11  LEU   6          HD11      LEU   6   3.339   0.700  -9.156
  197   HD12  LEU   6          HD12      LEU   6   4.307   1.708  -8.060
  198   HD13  LEU   6          HD13      LEU   6   5.081   0.396  -8.962
  199   HD21  LEU   6          HD21      LEU   6   4.952   1.996 -12.294
  200   HD22  LEU   6          HD22      LEU   6   3.736   0.861 -11.683
  201   HD23  LEU   6          HD23      LEU   6   5.460   0.567 -11.379
  202    H    CYS   7           H        CYS   7   2.196   4.782 -13.207
  203    HA   CYS   7           HA       CYS   7   0.363   6.721 -11.846
  204    HB2  CYS   7           HB2      CYS   7   1.475   6.869 -14.665
  205    HB3  CYS   7           HB3      CYS   7   0.405   8.036 -13.917
  206    H    GLY   8           H        GLY   8  -1.737   6.468 -12.291
  207    HA2  GLY   8           HA2      GLY   8  -3.755   5.703 -13.166
  208    HA3  GLY   8           HA3      GLY   8  -2.914   5.884 -14.702
  209    H    SER   9           H        SER   9  -3.077   4.161 -15.969
  210    HA   SER   9           HA       SER   9  -4.148   1.623 -15.154
  211    HG   SER   9           HG       SER   9  -2.766   2.745 -18.831
  212    HB2  SER   9           HB2      SER   9  -3.472   0.985 -17.502
  213    HB3  SER   9           HB3      SER   9  -4.527   2.398 -17.375
  214    H    HIS  10           H        HIS  10  -0.791   2.770 -15.648
  215    HA   HIS  10           HA       HIS  10   0.428   0.164 -15.455
  216    HD1  HIS  10           HD1      HIS  10   1.652   4.563 -16.676
  217    HD2  HIS  10           HD2      HIS  10   1.366   0.556 -17.904
  218    HE1  HIS  10           HE1      HIS  10   1.550   4.605 -19.216
  219    HB2  HIS  10           HB2      HIS  10   1.637   2.862 -14.726
  220    HB3  HIS  10           HB3      HIS  10   2.496   1.401 -15.213
  221    H    LEU  11           H        LEU  11  -0.400   2.631 -13.000
  222    HA   LEU  11           HA       LEU  11   0.696   1.163 -10.748
  223    HG   LEU  11           HG       LEU  11  -1.679   2.230  -8.783
  224    HB2  LEU  11           HB2      LEU  11   0.306   3.581 -10.666
  225    HB3  LEU  11           HB3      LEU  11  -1.418   3.355 -10.953
  226   HD11  LEU  11          HD11      LEU  11   1.271   2.862  -8.323
  227   HD12  LEU  11          HD12      LEU  11   0.574   1.230  -8.476
  228   HD13  LEU  11          HD13      LEU  11   0.126   2.257  -7.108
  229   HD21  LEU  11          HD21      LEU  11  -0.234   4.899  -8.622
  230   HD22  LEU  11          HD22      LEU  11  -1.337   4.230  -7.399
  231   HD23  LEU  11          HD23      LEU  11  -1.949   4.659  -9.004
  232    H    VAL  12           H        VAL  12  -2.591   1.401 -12.171
  233    HA   VAL  12           HA       VAL  12  -3.855  -0.410 -10.369
  234    HB   VAL  12           HB       VAL  12  -4.512   0.363 -13.230
  235   HG11  VAL  12          HG11      VAL  12  -6.239  -1.325 -11.371
  236   HG12  VAL  12          HG12      VAL  12  -6.773  -0.582 -12.890
  237   HG13  VAL  12          HG13      VAL  12  -5.544  -1.847 -12.927
  238   HG21  VAL  12          HG21      VAL  12  -5.835   1.039 -10.564
  239   HG22  VAL  12          HG22      VAL  12  -4.729   2.109 -11.443
  240   HG23  VAL  12          HG23      VAL  12  -6.285   1.675 -12.159
  241    H    GLU  13           H        GLU  13  -2.082  -1.127 -13.406
  242    HA   GLU  13           HA       GLU  13  -2.455  -3.980 -13.298
  243    HB2  GLU  13           HB2      GLU  13  -0.435  -2.138 -14.616
  244    HB3  GLU  13           HB3      GLU  13  -0.314  -3.884 -14.746
  245    HG2  GLU  13           HG2      GLU  13  -2.790  -2.317 -15.586
  246    HG3  GLU  13           HG3      GLU  13  -1.481  -2.765 -16.676
  247    H    ALA  14           H        ALA  14   0.225  -1.862 -12.019
  248    HA   ALA  14           HA       ALA  14   1.777  -4.010 -10.983
  249    HB1  ALA  14           HB1      ALA  14   1.550  -1.134  -9.989
  250    HB2  ALA  14           HB2      ALA  14   2.885  -2.266  -9.675
  251    HB3  ALA  14           HB3      ALA  14   2.582  -1.688 -11.325
  252    H    LEU  15           H        LEU  15  -0.821  -2.110  -9.408
  253    HA   LEU  15           HA       LEU  15  -0.871  -3.423  -6.876
  254    HG   LEU  15           HG       LEU  15  -1.193  -0.676  -7.393
  255    HB2  LEU  15           HB2      LEU  15  -2.997  -2.098  -8.604
  256    HB3  LEU  15           HB3      LEU  15  -3.373  -2.761  -7.020
  257   HD11  LEU  15          HD11      LEU  15  -2.839   1.024  -6.712
  258   HD12  LEU  15          HD12      LEU  15  -4.128  -0.202  -6.715
  259   HD13  LEU  15          HD13      LEU  15  -3.331   0.260  -8.233
  260   HD21  LEU  15          HD21      LEU  15  -1.613  -0.260  -5.004
  261   HD22  LEU  15          HD22      LEU  15  -1.159  -1.954  -5.254
  262   HD23  LEU  15          HD23      LEU  15  -2.858  -1.521  -4.971
  263    H    TYR  16           H        TYR  16  -2.808  -4.207  -9.823
  264    HA   TYR  16           HA       TYR  16  -3.997  -6.560  -8.846
  265    HD1  TYR  16           HD2      TYR  16  -6.071  -7.599 -10.157
  266    HD2  TYR  16           HD1      TYR  16  -2.778  -7.712 -12.946
  267    HE1  TYR  16           HE2      TYR  16  -6.876  -9.785 -11.021
  268    HE2  TYR  16           HE1      TYR  16  -3.580  -9.898 -13.809
  269    HH   TYR  16           HH       TYR  16  -5.178 -11.543 -13.654
  270    HB2  TYR  16           HB2      TYR  16  -4.681  -5.463 -10.916
  271    HB3  TYR  16           HB3      TYR  16  -3.126  -5.780 -11.650
  272    H    LEU  17           H        LEU  17  -0.808  -6.217 -10.424
  273    HA   LEU  17           HA       LEU  17  -0.248  -9.063 -10.375
  274    HG   LEU  17           HG       LEU  17  -0.252  -7.239 -12.671
  275    HB2  LEU  17           HB2      LEU  17   1.472  -6.606 -10.875
  276    HB3  LEU  17           HB3      LEU  17   2.095  -8.251 -11.000
  277   HD11  LEU  17          HD11      LEU  17   1.791  -5.954 -13.181
  278   HD12  LEU  17          HD12      LEU  17   1.384  -7.049 -14.513
  279   HD13  LEU  17          HD13      LEU  17   2.697  -7.465 -13.401
  280   HD21  LEU  17          HD21      LEU  17  -0.219  -9.688 -12.475
  281   HD22  LEU  17          HD22      LEU  17   1.506  -9.724 -12.900
  282   HD23  LEU  17          HD23      LEU  17   0.294  -9.211 -14.092
  283    H    VAL  18           H        VAL  18   0.589  -6.455  -8.141
  284    HA   VAL  18           HA       VAL  18   2.284  -8.176  -6.485
  285    HB   VAL  18           HB       VAL  18   0.994  -5.480  -5.980
  286   HG11  VAL  18          HG11      VAL  18   2.408  -5.350  -3.907
  287   HG12  VAL  18          HG12      VAL  18   1.080  -6.504  -3.768
  288   HG13  VAL  18          HG13      VAL  18   2.734  -7.090  -4.054
  289   HG21  VAL  18          HG21      VAL  18   3.905  -6.384  -6.246
  290   HG22  VAL  18          HG22      VAL  18   2.972  -5.576  -7.519
  291   HG23  VAL  18          HG23      VAL  18   3.356  -4.717  -6.017
  292    H    CYS  19           H        CYS  19  -1.161  -7.204  -6.387
  293    HA   CYS  19           HA       CYS  19  -1.594  -8.596  -3.853
  294    HB2  CYS  19           HB2      CYS  19  -3.527  -7.266  -5.782
  295    HB3  CYS  19           HB3      CYS  19  -3.918  -7.854  -4.161
  296    H    GLY  20           H        GLY  20  -2.285  -9.360  -7.264
  297    HA2  GLY  20           HA2      GLY  20  -3.058 -11.300  -8.274
  298    HA3  GLY  20           HA3      GLY  20  -2.611 -12.164  -6.787
  299    H    GLU  21           H        GLU  21  -4.315 -13.374  -6.290
  300    HA   GLU  21           HA       GLU  21  -7.045 -12.809  -6.806
  301    HB2  GLU  21           HB2      GLU  21  -5.850 -15.036  -6.399
  302    HB3  GLU  21           HB3      GLU  21  -5.919 -14.665  -4.681
  303    HG2  GLU  21           HG2      GLU  21  -7.697 -16.178  -5.234
  304    HG3  GLU  21           HG3      GLU  21  -8.427 -14.642  -4.818
  305    H    ARG  22           H        ARG  22  -5.042 -11.611  -4.209
  306    HA   ARG  22           HA       ARG  22  -6.995 -11.357  -2.143
  307    HE   ARG  22           HE       ARG  22  -2.164 -10.811  -2.600
  308    HB2  ARG  22           HB2      ARG  22  -4.461  -9.745  -2.641
  309    HB3  ARG  22           HB3      ARG  22  -5.398  -9.737  -1.148
  310    HG2  ARG  22           HG2      ARG  22  -4.996 -12.131  -0.811
  311    HG3  ARG  22           HG3      ARG  22  -4.065 -12.232  -2.308
  312    HD2  ARG  22           HD2      ARG  22  -3.318 -10.397   0.001
  313    HD3  ARG  22           HD3      ARG  22  -2.739 -12.065  -0.150
  314   HH11  ARG  22          HH21      ARG  22  -1.067 -10.543   0.796
  315   HH12  ARG  22          HH22      ARG  22   0.530 -10.022   0.270
  316   HH21  ARG  22          HH11      ARG  22   0.024 -10.092  -3.063
  317   HH22  ARG  22          HH12      ARG  22   1.070  -9.778  -1.691
  318    H    GLY  23           H        GLY  23  -6.581  -9.438  -5.016
  319    HA2  GLY  23           HA2      GLY  23  -7.754  -7.580  -5.822
  320    HA3  GLY  23           HA3      GLY  23  -8.768  -7.609  -4.364
  321    H    PHE  24           H        PHE  24  -8.262  -5.178  -5.057
  322    HA   PHE  24           HA       PHE  24  -6.474  -4.090  -3.012
  323    HD1  PHE  24           HD1      PHE  24  -5.748  -5.692  -6.831
  324    HD2  PHE  24           HD2      PHE  24  -6.193  -1.431  -6.346
  325    HE1  PHE  24           HE1      PHE  24  -6.332  -5.477  -9.228
  326    HE2  PHE  24           HE2      PHE  24  -6.701  -1.213  -8.769
  327    HZ   PHE  24           HZ       PHE  24  -6.782  -3.242 -10.208
  328    HB2  PHE  24           HB2      PHE  24  -5.100  -2.810  -4.602
  329    HB3  PHE  24           HB3      PHE  24  -4.907  -4.524  -4.832
  330    H    PHE  25           H        PHE  25  -6.484  -1.770  -2.878
  331    HA   PHE  25           HA       PHE  25  -8.574  -0.298  -4.336
  332    HD1  PHE  25           HD1      PHE  25 -11.105   0.629  -3.773
  333    HD2  PHE  25           HD2      PHE  25  -8.505   1.739  -0.512
  334    HE1  PHE  25           HE1      PHE  25 -12.217   2.843  -3.634
  335    HE2  PHE  25           HE2      PHE  25  -9.619   3.953  -0.376
  336    HZ   PHE  25           HZ       PHE  25 -11.474   4.512  -1.938
  337    HB2  PHE  25           HB2      PHE  25  -9.803  -1.092  -2.381
  338    HB3  PHE  25           HB3      PHE  25  -8.532  -0.531  -1.303
  339    H    TYR  26           H        TYR  26  -7.653   1.459  -5.081
  340    HA   TYR  26           HA       TYR  26  -5.419   2.809  -3.675
  341    HD1  TYR  26           HD2      TYR  26  -7.068   5.085  -6.829
  342    HD2  TYR  26           HD1      TYR  26  -6.463   0.845  -7.329
  343    HE1  TYR  26           HE2      TYR  26  -8.716   5.076  -8.692
  344    HE2  TYR  26           HE1      TYR  26  -8.110   0.831  -9.191
  345    HH   TYR  26           HH       TYR  26  -9.567   2.070 -10.468
  346    HB2  TYR  26           HB2      TYR  26  -5.085   3.878  -5.844
  347    HB3  TYR  26           HB3      TYR  26  -4.952   2.138  -5.945
  348    H    THR  27           H        THR  27  -5.498   5.098  -3.389
  349    HA   THR  27           HA       THR  27  -8.168   6.385  -3.568
  350    HB   THR  27           HB       THR  27  -7.199   8.155  -2.099
  351    HG1  THR  27           HG1      THR  27  -5.352   7.291  -0.863
  352   HG21  THR  27          HG21      THR  27  -7.143   5.336  -0.936
  353   HG22  THR  27          HG22      THR  27  -8.612   6.295  -1.217
  354   HG23  THR  27          HG23      THR  27  -7.400   6.853  -0.047
  355    HA   PRO  28           HA       PRO  28  -6.722   8.290  -7.228
  356    HB2  PRO  28           HB2      PRO  28  -8.670  10.119  -7.711
  357    HB3  PRO  28           HB3      PRO  28  -9.022   8.371  -7.605
  358    HG2  PRO  28           HG2      PRO  28  -9.271  10.431  -5.384
  359    HG3  PRO  28           HG3      PRO  28 -10.540   9.308  -5.991
  360    HD2  PRO  28           HD2      PRO  28  -9.001   8.662  -3.846
  361    HD3  PRO  28           HD3      PRO  28  -9.444   7.427  -5.064
  362    H    LYS  29           H        LYS  29  -6.700  10.804  -8.176
  363    HA   LYS  29           HA       LYS  29  -4.585  12.194  -6.870
  364    HB2  LYS  29           HB2      LYS  29  -6.645  12.943  -8.970
  365    HB3  LYS  29           HB3      LYS  29  -5.387  14.070  -8.439
  366    HG2  LYS  29           HG2      LYS  29  -3.621  12.544  -9.180
  367    HG3  LYS  29           HG3      LYS  29  -4.805  11.298  -9.574
  368    HD2  LYS  29           HD2      LYS  29  -4.001  12.448 -11.599
  369    HD3  LYS  29           HD3      LYS  29  -5.733  12.637 -11.363
  370    HE2  LYS  29           HE2      LYS  29  -4.833  14.728 -12.128
  371    HE3  LYS  29           HE3      LYS  29  -5.387  14.927 -10.467
  372    HZ1  LYS  29           HZ1      LYS  29  -3.084  14.825  -9.723
  373    HZ2  LYS  29           HZ2      LYS  29  -3.200  15.941 -10.906
  374    HZ3  LYS  29           HZ3      LYS  29  -2.549  14.479 -11.241
  375    H    THR  30           H        THR  30  -8.014  12.431  -6.432
  376    HA   THR  30           HA       THR  30  -9.258  13.098  -4.642
  377    HB   THR  30           HB       THR  30  -6.890  14.593  -3.474
  378    HG1  THR  30           HG1      THR  30  -7.910  11.980  -2.999
  379   HG21  THR  30          HG21      THR  30  -8.139  14.271  -1.354
  380   HG22  THR  30          HG22      THR  30  -9.505  13.587  -2.273
  381   HG23  THR  30          HG23      THR  30  -9.026  15.282  -2.499
  Start of MODEL   26
    1    H1   GLY   1           H1       GLY   1  -0.707  11.466  -1.701
    2    H2   GLY   1           H2       GLY   1  -0.389  10.368  -0.530
    3    H3   GLY   1           H3       GLY   1  -1.639  11.417  -0.351
    4    HA2  GLY   1           HA2      GLY   1  -2.462   9.230  -0.923
    5    HA3  GLY   1           HA3      GLY   1  -2.841  10.426  -2.174
    6    H    ILE   2           H        ILE   2  -2.550   7.484  -2.401
    7    HA   ILE   2           HA       ILE   2  -0.078   6.619  -3.341
    8    HB   ILE   2           HB       ILE   2  -1.839   5.120  -2.698
    9   HG12  ILE   2          HG12      ILE   2  -0.908   4.620  -5.545
   10   HG13  ILE   2          HG13      ILE   2  -0.034   4.260  -4.053
   11   HG21  ILE   2          HG21      ILE   2  -3.816   4.623  -4.013
   12   HG22  ILE   2          HG22      ILE   2  -3.792   6.363  -3.783
   13   HG23  ILE   2          HG23      ILE   2  -3.276   5.675  -5.341
   14   HD11  ILE   2          HD11      ILE   2  -2.592   2.946  -5.050
   15   HD12  ILE   2          HD12      ILE   2  -0.986   2.221  -4.891
   16   HD13  ILE   2          HD13      ILE   2  -1.897   2.673  -3.438
   17    H    VAL   3           H        VAL   3  -2.594   8.095  -5.407
   18    HA   VAL   3           HA       VAL   3  -1.294   7.490  -7.856
   19    HB   VAL   3           HB       VAL   3  -3.125   9.846  -7.257
   20   HG11  VAL   3          HG11      VAL   3  -2.292   8.629  -9.933
   21   HG12  VAL   3          HG12      VAL   3  -3.588   9.824  -9.713
   22   HG13  VAL   3          HG13      VAL   3  -1.917  10.270  -9.373
   23   HG21  VAL   3          HG21      VAL   3  -3.662   7.043  -8.361
   24   HG22  VAL   3          HG22      VAL   3  -4.235   7.707  -6.810
   25   HG23  VAL   3          HG23      VAL   3  -4.851   8.361  -8.333
   26    H    GLU   4           H        GLU   4  -0.968  10.452  -5.806
   27    HA   GLU   4           HA       GLU   4   1.018  11.665  -7.548
   28    HB2  GLU   4           HB2      GLU   4   0.303  12.176  -4.631
   29    HB3  GLU   4           HB3      GLU   4   1.452  13.138  -5.562
   30    HG2  GLU   4           HG2      GLU   4  -1.516  12.797  -6.190
   31    HG3  GLU   4           HG3      GLU   4  -0.767  14.208  -5.445
   32    H    GLN   5           H        GLN   5   1.181   9.627  -4.585
   33    HA   GLN   5           HA       GLN   5   4.008   9.853  -4.271
   34    HB2  GLN   5           HB2      GLN   5   2.401   9.077  -2.503
   35    HB3  GLN   5           HB3      GLN   5   2.140   7.592  -3.427
   36    HG2  GLN   5           HG2      GLN   5   3.692   7.195  -1.583
   37    HG3  GLN   5           HG3      GLN   5   4.510   6.959  -3.117
   38   HE21  GLN   5          HE21      GLN   5   6.554   7.968  -3.293
   39   HE22  GLN   5          HE22      GLN   5   7.027   9.311  -2.256
   40    H    CYS   6           H        CYS   6   2.066   7.448  -6.129
   41    HA   CYS   6           HA       CYS   6   4.469   6.012  -6.954
   42    HB2  CYS   6           HB2      CYS   6   1.542   5.893  -7.750
   43    HB3  CYS   6           HB3      CYS   6   2.779   4.847  -8.416
   44    H    CYS   7           H        CYS   7   2.564   8.602  -8.374
   45    HA   CYS   7           HA       CYS   7   3.850   8.078 -11.028
   46    HB2  CYS   7           HB2      CYS   7   1.364   8.173 -10.809
   47    HB3  CYS   7           HB3      CYS   7   1.514   9.884 -10.395
   48    H    THR   8           H        THR   8   3.275  10.874  -8.829
   49    HA   THR   8           HA       THR   8   4.998  12.658 -10.407
   50    HB   THR   8           HB       THR   8   3.741  13.091  -7.666
   51    HG1  THR   8           HG1      THR   8   2.065  13.980  -8.785
   52   HG21  THR   8          HG21      THR   8   3.967  15.486  -8.245
   53   HG22  THR   8          HG22      THR   8   4.782  15.047  -9.766
   54   HG23  THR   8          HG23      THR   8   5.549  14.701  -8.202
   55    H    SER   9           H        SER   9   5.073  11.082  -7.221
   56    HA   SER   9           HA       SER   9   8.083  11.185  -7.181
   57    HG   SER   9           HG       SER   9   6.901  12.310  -4.017
   58    HB2  SER   9           HB2      SER   9   6.065  10.410  -5.047
   59    HB3  SER   9           HB3      SER   9   7.827  10.358  -4.855
   60    H    ILE  10           H        ILE  10   8.512   8.832  -5.759
   61    HA   ILE  10           HA       ILE  10   7.579   6.658  -7.580
   62    HB   ILE  10           HB       ILE  10   9.591   5.409  -6.985
   63   HG12  ILE  10          HG12      ILE  10  10.632   7.953  -5.668
   64   HG13  ILE  10          HG13      ILE  10  10.166   6.462  -4.833
   65   HG21  ILE  10          HG21      ILE  10   9.430   6.736  -9.062
   66   HG22  ILE  10          HG22      ILE  10  10.285   8.079  -8.260
   67   HG23  ILE  10          HG23      ILE  10  11.091   6.521  -8.530
   68   HD11  ILE  10          HD11      ILE  10  12.505   6.828  -6.731
   69   HD12  ILE  10          HD12      ILE  10  12.545   6.473  -4.999
   70   HD13  ILE  10          HD13      ILE  10  11.943   5.243  -6.135
   71    H    CYS  11           H        CYS  11   6.978   4.692  -6.651
   72    HA   CYS  11           HA       CYS  11   6.720   4.654  -3.675
   73    HB2  CYS  11           HB2      CYS  11   4.490   3.834  -3.731
   74    HB3  CYS  11           HB3      CYS  11   4.540   5.285  -4.697
   75    H    SER  12           H        SER  12   6.483   2.541  -2.755
   76    HA   SER  12           HA       SER  12   8.066   0.516  -4.269
   77    HG   SER  12           HG       SER  12   7.893   0.574  -0.220
   78    HB2  SER  12           HB2      SER  12   8.683  -0.416  -2.188
   79    HB3  SER  12           HB3      SER  12   8.916   1.338  -2.077
   80    H    LEU  13           H        LEU  13   7.631  -1.756  -4.063
   81    HA   LEU  13           HA       LEU  13   4.884  -2.523  -4.483
   82    HG   LEU  13           HG       LEU  13   7.922  -3.152  -5.718
   83    HB2  LEU  13           HB2      LEU  13   7.274  -4.216  -3.614
   84    HB3  LEU  13           HB3      LEU  13   5.772  -4.797  -4.313
   85   HD11  LEU  13          HD11      LEU  13   6.915  -5.989  -6.192
   86   HD12  LEU  13          HD12      LEU  13   8.432  -5.558  -5.376
   87   HD13  LEU  13          HD13      LEU  13   8.206  -5.165  -7.089
   88   HD21  LEU  13          HD21      LEU  13   5.739  -2.429  -6.601
   89   HD22  LEU  13          HD22      LEU  13   5.268  -4.122  -6.859
   90   HD23  LEU  13          HD23      LEU  13   6.605  -3.408  -7.791
   91    H    TYR  14           H        TYR  14   6.937  -2.444  -1.600
   92    HA   TYR  14           HA       TYR  14   5.116  -3.681   0.227
   93    HD1  TYR  14           HD2      TYR  14   6.180  -4.597   2.578
   94    HD2  TYR  14           HD1      TYR  14   6.853  -0.336   2.510
   95    HE1  TYR  14           HE2      TYR  14   5.711  -4.489   5.020
   96    HE2  TYR  14           HE1      TYR  14   6.380  -0.222   4.956
   97    HH   TYR  14           HH       TYR  14   5.548  -3.139   6.875
   98    HB2  TYR  14           HB2      TYR  14   7.490  -3.389   0.711
   99    HB3  TYR  14           HB3      TYR  14   7.344  -1.646   0.592
  100    H    GLN  15           H        GLN  15   5.380  -0.330  -0.915
  101    HA   GLN  15           HA       GLN  15   3.252   0.691   0.830
  102    HB2  GLN  15           HB2      GLN  15   4.652   1.787  -1.624
  103    HB3  GLN  15           HB3      GLN  15   3.330   2.641  -0.837
  104    HG2  GLN  15           HG2      GLN  15   4.542   2.897   1.204
  105    HG3  GLN  15           HG3      GLN  15   5.804   1.776   0.716
  106   HE21  GLN  15          HE21      GLN  15   6.500   4.357   1.626
  107   HE22  GLN  15          HE22      GLN  15   7.112   5.261   0.252
  108    H    LEU  16           H        LEU  16   3.345  -0.590  -2.546
  109    HA   LEU  16           HA       LEU  16   0.546  -0.153  -3.066
  110    HG   LEU  16           HG       LEU  16   3.238  -0.179  -4.918
  111    HB2  LEU  16           HB2      LEU  16   2.422  -2.329  -4.089
  112    HB3  LEU  16           HB3      LEU  16   0.824  -2.008  -4.724
  113   HD11  LEU  16          HD11      LEU  16   1.588  -1.640  -7.016
  114   HD12  LEU  16          HD12      LEU  16   3.216  -2.094  -6.455
  115   HD13  LEU  16          HD13      LEU  16   2.975  -0.576  -7.322
  116   HD21  LEU  16          HD21      LEU  16   0.388   0.354  -5.822
  117   HD22  LEU  16          HD22      LEU  16   1.809   1.284  -6.315
  118   HD23  LEU  16          HD23      LEU  16   1.316   1.287  -4.620
  119    H    GLU  17           H        GLU  17   2.229  -2.865  -1.480
  120    HA   GLU  17           HA       GLU  17   0.064  -4.612  -1.219
  121    HB2  GLU  17           HB2      GLU  17   2.509  -5.050  -0.803
  122    HB3  GLU  17           HB3      GLU  17   2.330  -4.271   0.777
  123    HG2  GLU  17           HG2      GLU  17   0.685  -6.002   1.433
  124    HG3  GLU  17           HG3      GLU  17   0.774  -6.719  -0.179
  125    H    ASN  18           H        ASN  18   0.683  -1.716   0.687
  126    HA   ASN  18           HA       ASN  18  -0.913  -2.214   2.976
  127    HB2  ASN  18           HB2      ASN  18   0.645  -0.322   2.713
  128    HB3  ASN  18           HB3      ASN  18  -0.360   0.347   1.424
  129   HD21  ASN  18          HD21      ASN  18  -2.007   1.749   1.967
  130   HD22  ASN  18          HD22      ASN  18  -2.533   2.030   3.618
  131    H    TYR  19           H        TYR  19  -1.893  -1.474  -0.339
  132    HA   TYR  19           HA       TYR  19  -4.648  -0.727   0.433
  133    HD1  TYR  19           HD1      TYR  19  -5.320   1.896  -0.665
  134    HD2  TYR  19           HD2      TYR  19  -1.247   0.643  -1.318
  135    HE1  TYR  19           HE1      TYR  19  -4.514   4.136   0.051
  136    HE2  TYR  19           HE2      TYR  19  -0.434   2.860  -0.569
  137    HH   TYR  19           HH       TYR  19  -1.024   4.974   0.168
  138    HB2  TYR  19           HB2      TYR  19  -3.121  -0.688  -2.195
  139    HB3  TYR  19           HB3      TYR  19  -4.776  -0.155  -1.977
  140    H    CYS  20           H        CYS  20  -3.158  -3.676  -0.175
  141    HA   CYS  20           HA       CYS  20  -5.106  -4.927  -1.895
  142    HB2  CYS  20           HB2      CYS  20  -3.153  -6.127   0.093
  143    HB3  CYS  20           HB3      CYS  20  -4.037  -7.024  -1.148
  144    H    ASN  21           H        ASN  21  -6.696  -6.406  -1.470
  145    HA   ASN  21           HA       ASN  21  -8.042  -6.393   1.183
  146    HB2  ASN  21           HB2      ASN  21  -9.339  -5.891  -0.883
  147    HB3  ASN  21           HB3      ASN  21  -8.914  -7.471  -1.535
  148   HD21  ASN  21          HD21      ASN  21  -9.463  -9.337   0.056
  149   HD22  ASN  21          HD22      ASN  21 -11.101  -9.258   0.739
  150    HA   PHE   1           HA       PHE   1  11.962  -4.738  -1.850
  151    HD1  PHE   1           HD1      PHE   1  11.187  -0.672  -1.762
  152    HD2  PHE   1           HD2      PHE   1  10.041  -2.998   1.703
  153    HE1  PHE   1           HE1      PHE   1  11.108   1.385  -0.398
  154    HE2  PHE   1           HE2      PHE   1   9.927  -0.919   3.041
  155    HZ   PHE   1           HZ       PHE   1  10.459   1.274   2.000
  156    H1   PHE   1           H1       PHE   1  12.946  -4.115   0.248
  157    H2   PHE   1           H2       PHE   1  13.265  -2.604  -0.307
  158    H3   PHE   1           H3       PHE   1  14.012  -3.887  -0.977
  159    HB2  PHE   1           HB2      PHE   1   9.925  -3.215  -1.740
  160    HB3  PHE   1           HB3      PHE   1  10.349  -4.105  -0.312
  161    H    VAL   2           H        VAL   2  10.915  -3.920  -3.865
  162    HA   VAL   2           HA       VAL   2  12.725  -2.102  -5.364
  163    HB   VAL   2           HB       VAL   2  10.371  -3.811  -6.244
  164   HG11  VAL   2          HG11      VAL   2  12.271  -2.124  -7.941
  165   HG12  VAL   2          HG12      VAL   2  11.176  -3.366  -8.583
  166   HG13  VAL   2          HG13      VAL   2  10.510  -1.942  -7.798
  167   HG21  VAL   2          HG21      VAL   2  13.378  -4.155  -6.667
  168   HG22  VAL   2          HG22      VAL   2  12.343  -5.154  -5.617
  169   HG23  VAL   2          HG23      VAL   2  12.114  -5.192  -7.362
  170    H    ASN   3           H        ASN   3  12.105  -0.136  -6.204
  171    HA   ASN   3           HA       ASN   3   9.334   0.791  -5.886
  172    HB2  ASN   3           HB2      ASN   3  10.037   2.977  -5.011
  173    HB3  ASN   3           HB3      ASN   3  10.446   1.664  -3.919
  174   HD21  ASN   3          HD21      ASN   3  11.756   3.669  -3.122
  175   HD22  ASN   3          HD22      ASN   3  13.393   3.760  -3.742
  176    H    GLN   4           H        GLN   4   8.632   2.440  -7.259
  177    HA   GLN   4           HA       GLN   4  10.155   2.808  -9.799
  178    HB2  GLN   4           HB2      GLN   4   7.501   1.308  -9.498
  179    HB3  GLN   4           HB3      GLN   4   8.267   1.744 -11.027
  180    HG2  GLN   4           HG2      GLN   4  10.208   0.264 -10.435
  181    HG3  GLN   4           HG3      GLN   4   9.333  -0.248  -8.983
  182   HE21  GLN   4          HE21      GLN   4   9.095  -0.205 -12.597
  183   HE22  GLN   4          HE22      GLN   4   8.058  -1.621 -12.654
  184    H    HIS   5           H        HIS   5   8.980   4.145 -11.367
  185    HA   HIS   5           HA       HIS   5   6.837   5.893 -10.278
  186    HD1  HIS   5           HD1      HIS   5   7.287   8.518 -10.240
  187    HD2  HIS   5           HD2      HIS   5  10.390   7.294 -12.815
  188    HE1  HIS   5           HE1      HIS   5   9.099  10.278 -10.057
  189    HB2  HIS   5           HB2      HIS   5   8.272   5.836 -12.957
  190    HB3  HIS   5           HB3      HIS   5   6.833   6.791 -12.643
  191    H    LEU   6           H        LEU   6   4.778   5.388 -10.602
  192    HA   LEU   6           HA       LEU   6   3.866   3.488 -12.697
  193    HG   LEU   6           HG       LEU   6   5.468   1.978 -10.662
  194    HB2  LEU   6           HB2      LEU   6   3.490   3.226  -9.684
  195    HB3  LEU   6           HB3      LEU   6   2.454   2.397 -10.840
  196   HD11  LEU   6          HD11      LEU   6   4.883  -0.141  -9.507
  197   HD12  LEU   6          HD12      LEU   6   3.178   0.365  -9.485
  198   HD13  LEU   6          HD13      LEU   6   4.393   1.288  -8.583
  199   HD21  LEU   6          HD21      LEU   6   3.274   0.397 -12.079
  200   HD22  LEU   6          HD22      LEU   6   4.981  -0.079 -11.973
  201   HD23  LEU   6          HD23      LEU   6   4.525   1.369 -12.878
  202    H    CYS   7           H        CYS   7   2.097   4.282 -13.650
  203    HA   CYS   7           HA       CYS   7   0.395   6.323 -12.278
  204    HB2  CYS   7           HB2      CYS   7   1.482   6.404 -15.114
  205    HB3  CYS   7           HB3      CYS   7   0.423   7.605 -14.397
  206    H    GLY   8           H        GLY   8  -1.742   6.174 -12.733
  207    HA2  GLY   8           HA2      GLY   8  -3.785   5.370 -13.502
  208    HA3  GLY   8           HA3      GLY   8  -2.989   5.479 -15.069
  209    H    SER   9           H        SER   9  -3.149   3.717 -16.254
  210    HA   SER   9           HA       SER   9  -4.187   1.217 -15.414
  211    HG   SER   9           HG       SER   9  -4.523   2.187 -18.861
  212    HB2  SER   9           HB2      SER   9  -2.459   1.806 -17.845
  213    HB3  SER   9           HB3      SER   9  -3.589   0.457 -17.645
  214    H    HIS  10           H        HIS  10  -0.795   2.325 -15.626
  215    HA   HIS  10           HA       HIS  10   0.355  -0.336 -15.296
  216    HD1  HIS  10           HD1      HIS  10   2.347  -0.264 -17.561
  217    HD2  HIS  10           HD2      HIS  10   0.954   3.684 -17.124
  218    HE1  HIS  10           HE1      HIS  10   2.192   0.704 -19.905
  219    HB2  HIS  10           HB2      HIS  10   1.559   2.432 -14.888
  220    HB3  HIS  10           HB3      HIS  10   2.459   0.927 -15.015
  221    H    LEU  11           H        LEU  11  -0.457   2.377 -13.109
  222    HA   LEU  11           HA       LEU  11   0.502   1.144 -10.676
  223    HG   LEU  11           HG       LEU  11  -2.013   2.429  -8.969
  224    HB2  LEU  11           HB2      LEU  11   0.090   3.560 -10.873
  225    HB3  LEU  11           HB3      LEU  11  -1.606   3.282 -11.233
  226   HD11  LEU  11          HD11      LEU  11  -0.225   2.680  -7.230
  227   HD12  LEU  11          HD12      LEU  11   0.952   2.994  -8.522
  228   HD13  LEU  11          HD13      LEU  11   0.146   1.416  -8.405
  229   HD21  LEU  11          HD21      LEU  11  -2.211   4.844  -9.471
  230   HD22  LEU  11          HD22      LEU  11  -0.516   5.094  -8.984
  231   HD23  LEU  11          HD23      LEU  11  -1.732   4.558  -7.793
  232    H    VAL  12           H        VAL  12  -2.702   1.223 -12.240
  233    HA   VAL  12           HA       VAL  12  -4.069  -0.455 -10.406
  234    HB   VAL  12           HB       VAL  12  -4.463   0.185 -13.335
  235   HG11  VAL  12          HG11      VAL  12  -6.291  -1.604 -11.693
  236   HG12  VAL  12          HG12      VAL  12  -6.729  -0.854 -13.236
  237   HG13  VAL  12          HG13      VAL  12  -5.437  -2.048 -13.180
  238   HG21  VAL  12          HG21      VAL  12  -6.109   0.817 -10.850
  239   HG22  VAL  12          HG22      VAL  12  -4.947   1.924 -11.593
  240   HG23  VAL  12          HG23      VAL  12  -6.396   1.440 -12.487
  241    H    GLU  13           H        GLU  13  -2.212  -1.407 -13.334
  242    HA   GLU  13           HA       GLU  13  -2.634  -4.212 -13.047
  243    HB2  GLU  13           HB2      GLU  13  -1.764  -2.976 -15.077
  244    HB3  GLU  13           HB3      GLU  13  -0.220  -2.802 -14.251
  245    HG2  GLU  13           HG2      GLU  13   0.003  -4.649 -15.717
  246    HG3  GLU  13           HG3      GLU  13  -0.109  -5.342 -14.105
  247    H    ALA  14           H        ALA  14   0.054  -2.104 -11.857
  248    HA   ALA  14           HA       ALA  14   1.605  -4.167 -10.673
  249    HB1  ALA  14           HB1      ALA  14   2.445  -1.911 -11.167
  250    HB2  ALA  14           HB2      ALA  14   1.374  -1.216  -9.924
  251    HB3  ALA  14           HB3      ALA  14   2.691  -2.313  -9.459
  252    H    LEU  15           H        LEU  15  -0.975  -2.137  -9.203
  253    HA   LEU  15           HA       LEU  15  -0.940  -3.231  -6.576
  254    HG   LEU  15           HG       LEU  15  -1.230  -0.618  -7.114
  255    HB2  LEU  15           HB2      LEU  15  -3.067  -2.003  -8.370
  256    HB3  LEU  15           HB3      LEU  15  -3.484  -2.609  -6.775
  257   HD11  LEU  15          HD11      LEU  15  -4.152   0.064  -6.603
  258   HD12  LEU  15          HD12      LEU  15  -3.294   0.346  -8.127
  259   HD13  LEU  15          HD13      LEU  15  -2.788   1.191  -6.657
  260   HD21  LEU  15          HD21      LEU  15  -1.756  -0.116  -4.742
  261   HD22  LEU  15          HD22      LEU  15  -1.457  -1.849  -4.926
  262   HD23  LEU  15          HD23      LEU  15  -3.116  -1.246  -4.785
  263    H    TYR  16           H        TYR  16  -2.964  -4.299  -9.368
  264    HA   TYR  16           HA       TYR  16  -4.111  -6.548  -8.071
  265    HD1  TYR  16           HD2      TYR  16  -6.512  -7.214  -9.131
  266    HD2  TYR  16           HD1      TYR  16  -3.510  -8.193 -12.075
  267    HE1  TYR  16           HE2      TYR  16  -7.833  -9.204  -9.827
  268    HE2  TYR  16           HE1      TYR  16  -4.806 -10.201 -12.737
  269    HH   TYR  16           HH       TYR  16  -6.734 -11.449 -12.396
  270    HB2  TYR  16           HB2      TYR  16  -4.883  -5.477 -10.173
  271    HB3  TYR  16           HB3      TYR  16  -3.459  -6.070 -11.010
  272    H    LEU  17           H        LEU  17  -1.015  -6.324  -9.804
  273    HA   LEU  17           HA       LEU  17  -0.389  -9.144  -9.532
  274    HG   LEU  17           HG       LEU  17  -0.362  -7.485 -12.004
  275    HB2  LEU  17           HB2      LEU  17   1.266  -6.684 -10.235
  276    HB3  LEU  17           HB3      LEU  17   1.950  -8.306 -10.187
  277   HD11  LEU  17          HD11      LEU  17   1.337  -7.516 -13.808
  278   HD12  LEU  17          HD12      LEU  17   2.609  -7.852 -12.615
  279   HD13  LEU  17          HD13      LEU  17   1.735  -6.303 -12.579
  280   HD21  LEU  17          HD21      LEU  17  -0.400  -9.890 -11.576
  281   HD22  LEU  17          HD22      LEU  17   1.342 -10.017 -11.921
  282   HD23  LEU  17          HD23      LEU  17   0.199  -9.598 -13.210
  283    H    VAL  18           H        VAL  18   0.553  -6.298  -7.619
  284    HA   VAL  18           HA       VAL  18   2.209  -7.745  -5.746
  285    HB   VAL  18           HB       VAL  18   0.704  -5.121  -5.525
  286   HG11  VAL  18          HG11      VAL  18   1.984  -4.653  -3.449
  287   HG12  VAL  18          HG12      VAL  18   0.785  -5.920  -3.219
  288   HG13  VAL  18          HG13      VAL  18   2.499  -6.353  -3.394
  289   HG21  VAL  18          HG21      VAL  18   3.008  -4.195  -5.562
  290   HG22  VAL  18          HG22      VAL  18   3.686  -5.830  -5.587
  291   HG23  VAL  18          HG23      VAL  18   2.774  -5.232  -6.976
  292    H    CYS  19           H        CYS  19  -1.281  -6.962  -5.726
  293    HA   CYS  19           HA       CYS  19  -1.754  -8.270  -3.191
  294    HB2  CYS  19           HB2      CYS  19  -3.723  -7.508  -5.384
  295    HB3  CYS  19           HB3      CYS  19  -4.124  -7.906  -3.715
  296    H    GLY  20           H        GLY  20  -1.672  -9.425  -6.500
  297    HA2  GLY  20           HA2      GLY  20  -1.292 -11.622  -7.174
  298    HA3  GLY  20           HA3      GLY  20  -1.607 -12.199  -5.523
  299    H    GLU  21           H        GLU  21  -3.511 -10.367  -7.892
  300    HA   GLU  21           HA       GLU  21  -5.445 -10.669  -8.955
  301    HB2  GLU  21           HB2      GLU  21  -5.600 -13.544  -7.969
  302    HB3  GLU  21           HB3      GLU  21  -6.598 -12.792  -9.196
  303    HG2  GLU  21           HG2      GLU  21  -4.606 -12.388 -10.617
  304    HG3  GLU  21           HG3      GLU  21  -3.585 -13.176  -9.416
  305    H    ARG  22           H        ARG  22  -5.142 -10.849  -5.640
  306    HA   ARG  22           HA       ARG  22  -7.905 -10.697  -4.778
  307    HE   ARG  22           HE       ARG  22  -6.066 -10.324  -0.411
  308    HB2  ARG  22           HB2      ARG  22  -5.228  -9.868  -3.635
  309    HB3  ARG  22           HB3      ARG  22  -6.727  -9.450  -2.806
  310    HG2  ARG  22           HG2      ARG  22  -7.295 -11.693  -2.382
  311    HG3  ARG  22           HG3      ARG  22  -6.183 -12.325  -3.596
  312    HD2  ARG  22           HD2      ARG  22  -5.421 -12.680  -1.245
  313    HD3  ARG  22           HD3      ARG  22  -4.273 -11.862  -2.284
  314   HH11  ARG  22          HH11      ARG  22  -2.793 -10.771  -1.699
  315   HH12  ARG  22          HH12      ARG  22  -2.071  -9.832  -0.426
  316   HH21  ARG  22          HH21      ARG  22  -5.099  -9.071   1.131
  317   HH22  ARG  22          HH22      ARG  22  -3.362  -8.837   1.135
  318    H    GLY  23           H        GLY  23  -8.903  -8.776  -3.925
  319    HA2  GLY  23           HA2      GLY  23  -9.024  -6.536  -5.713
  320    HA3  GLY  23           HA3      GLY  23  -9.770  -6.615  -4.106
  321    H    PHE  24           H        PHE  24  -8.707  -4.321  -5.210
  322    HA   PHE  24           HA       PHE  24  -6.539  -3.542  -3.370
  323    HD1  PHE  24           HD1      PHE  24  -6.725  -5.491  -7.108
  324    HD2  PHE  24           HD2      PHE  24  -6.003  -1.245  -6.912
  325    HE1  PHE  24           HE1      PHE  24  -7.606  -5.228  -9.421
  326    HE2  PHE  24           HE2      PHE  24  -6.813  -0.998  -9.245
  327    HZ   PHE  24           HZ       PHE  24  -7.655  -2.991 -10.482
  328    HB2  PHE  24           HB2      PHE  24  -5.097  -2.787  -5.184
  329    HB3  PHE  24           HB3      PHE  24  -5.379  -4.515  -5.300
  330    H    PHE  25           H        PHE  25  -5.955  -1.138  -3.850
  331    HA   PHE  25           HA       PHE  25  -8.289   0.461  -4.775
  332    HD1  PHE  25           HD2      PHE  25  -6.461   3.219  -2.391
  333    HD2  PHE  25           HD1      PHE  25 -10.406   1.551  -2.874
  334    HE1  PHE  25           HE2      PHE  25  -7.447   5.490  -2.206
  335    HE2  PHE  25           HE1      PHE  25 -11.391   3.821  -2.688
  336    HZ   PHE  25           HZ       PHE  25  -9.918   5.789  -2.345
  337    HB2  PHE  25           HB2      PHE  25  -8.486   0.121  -2.333
  338    HB3  PHE  25           HB3      PHE  25  -6.884   0.781  -2.097
  339    H    TYR  26           H        TYR  26  -7.571   1.753  -6.321
  340    HA   TYR  26           HA       TYR  26  -4.795   2.815  -6.299
  341    HD1  TYR  26           HD1      TYR  26  -8.082   0.759  -8.180
  342    HD2  TYR  26           HD2      TYR  26  -6.483   4.440  -9.770
  343    HE1  TYR  26           HE1      TYR  26 -10.213   1.163  -9.389
  344    HE2  TYR  26           HE2      TYR  26  -8.615   4.843 -10.979
  345    HH   TYR  26           HH       TYR  26 -10.730   4.064 -11.439
  346    HB2  TYR  26           HB2      TYR  26  -5.034   2.850  -8.659
  347    HB3  TYR  26           HB3      TYR  26  -5.602   1.286  -8.131
  348    H    THR  27           H        THR  27  -8.011   3.835  -5.800
  349    HA   THR  27           HA       THR  27  -8.243   6.044  -7.479
  350    HB   THR  27           HB       THR  27  -9.753   5.614  -4.878
  351    HG1  THR  27           HG1      THR  27 -11.056   4.238  -6.139
  352   HG21  THR  27          HG21      THR  27 -10.357   7.693  -6.081
  353   HG22  THR  27          HG22      THR  27 -11.666   6.513  -6.131
  354   HG23  THR  27          HG23      THR  27 -10.644   6.753  -7.564
  355    HA   PRO  28           HA       PRO  28  -6.078   9.227  -5.105
  356    HB2  PRO  28           HB2      PRO  28  -6.852  11.482  -6.440
  357    HB3  PRO  28           HB3      PRO  28  -5.723  10.289  -7.140
  358    HG2  PRO  28           HG2      PRO  28  -8.717  10.509  -7.581
  359    HG3  PRO  28           HG3      PRO  28  -7.435  10.353  -8.818
  360    HD2  PRO  28           HD2      PRO  28  -8.855   8.208  -7.928
  361    HD3  PRO  28           HD3      PRO  28  -7.124   8.060  -8.333
  362    H    LYS  29           H        LYS  29  -6.563  11.137  -3.762
  363    HA   LYS  29           HA       LYS  29  -9.105  10.900  -2.326
  364    HB2  LYS  29           HB2      LYS  29  -6.838  12.913  -2.055
  365    HB3  LYS  29           HB3      LYS  29  -8.157  12.698  -0.918
  366    HG2  LYS  29           HG2      LYS  29  -5.952  10.662  -1.499
  367    HG3  LYS  29           HG3      LYS  29  -6.072  11.736  -0.120
  368    HD2  LYS  29           HD2      LYS  29  -6.830   9.794   0.808
  369    HD3  LYS  29           HD3      LYS  29  -8.356  10.575   0.379
  370    HE2  LYS  29           HE2      LYS  29  -8.415   9.147  -1.709
  371    HE3  LYS  29           HE3      LYS  29  -6.895   8.403  -1.212
  372    HZ1  LYS  29           HZ1      LYS  29  -8.023   7.593   0.791
  373    HZ2  LYS  29           HZ2      LYS  29  -8.782   7.041  -0.545
  374    HZ3  LYS  29           HZ3      LYS  29  -9.435   8.262   0.322
  375    H    THR  30           H        THR  30 -10.649  12.496  -2.009
  376    HA   THR  30           HA       THR  30 -11.633  13.831  -4.319
  377    HB   THR  30           HB       THR  30 -12.430  14.331  -1.429
  378    HG1  THR  30           HG1      THR  30 -13.868  12.617  -1.796
  379   HG21  THR  30          HG21      THR  30 -13.958  14.547  -4.071
  380   HG22  THR  30          HG22      THR  30 -13.479  15.894  -3.015
  381   HG23  THR  30          HG23      THR  30 -14.676  14.723  -2.448
  Start of MODEL   27
    1    H1   GLY   1           H1       GLY   1  -2.951  11.914  -2.568
    2    H2   GLY   1           H2       GLY   1  -2.051  12.166  -1.228
    3    H3   GLY   1           H3       GLY   1  -3.417  11.256  -1.136
    4    HA2  GLY   1           HA2      GLY   1  -1.053  10.515  -2.734
    5    HA3  GLY   1           HA3      GLY   1  -1.351   9.928  -1.083
    6    H    ILE   2           H        ILE   2  -2.756   7.274  -3.242
    7    HA   ILE   2           HA       ILE   2  -0.076   8.332  -2.538
    8    HB   ILE   2           HB       ILE   2   0.734   6.144  -3.085
    9   HG12  ILE   2          HG12      ILE   2  -2.109   5.351  -3.838
   10   HG13  ILE   2          HG13      ILE   2  -0.793   5.606  -4.981
   11   HG21  ILE   2          HG21      ILE   2  -0.276   6.686  -0.859
   12   HG22  ILE   2          HG22      ILE   2  -1.788   5.935  -1.403
   13   HG23  ILE   2          HG23      ILE   2  -0.303   4.966  -1.254
   14   HD11  ILE   2          HD11      ILE   2  -1.062   3.242  -4.623
   15   HD12  ILE   2          HD12      ILE   2   0.479   3.741  -3.889
   16   HD13  ILE   2          HD13      ILE   2  -0.948   3.435  -2.868
   17    H    VAL   3           H        VAL   3  -1.990   8.282  -5.478
   18    HA   VAL   3           HA       VAL   3   0.003   8.069  -7.443
   19    HB   VAL   3           HB       VAL   3  -2.464   9.831  -7.330
   20   HG11  VAL   3          HG11      VAL   3  -1.040  11.067  -8.882
   21   HG12  VAL   3          HG12      VAL   3  -0.598   9.565  -9.735
   22   HG13  VAL   3          HG13      VAL   3  -2.264  10.190  -9.796
   23   HG21  VAL   3          HG21      VAL   3  -1.767   7.430  -9.082
   24   HG22  VAL   3          HG22      VAL   3  -2.660   7.323  -7.557
   25   HG23  VAL   3          HG23      VAL   3  -3.355   8.203  -8.922
   26    H    GLU   4           H        GLU   4  -0.660  10.920  -5.434
   27    HA   GLU   4           HA       GLU   4   1.137  12.708  -6.743
   28    HB2  GLU   4           HB2      GLU   4   0.078  12.666  -3.881
   29    HB3  GLU   4           HB3      GLU   4   0.864  14.051  -4.641
   30    HG2  GLU   4           HG2      GLU   4  -0.926  14.324  -6.231
   31    HG3  GLU   4           HG3      GLU   4  -1.686  12.803  -5.764
   32    H    GLN   5           H        GLN   5   1.853  10.059  -4.634
   33    HA   GLN   5           HA       GLN   5   4.679  10.983  -4.341
   34    HB2  GLN   5           HB2      GLN   5   3.618   9.920  -2.319
   35    HB3  GLN   5           HB3      GLN   5   3.322   8.464  -3.281
   36    HG2  GLN   5           HG2      GLN   5   5.862   8.403  -3.718
   37    HG3  GLN   5           HG3      GLN   5   6.021   9.638  -2.479
   38   HE21  GLN   5          HE21      GLN   5   6.808   6.639  -2.754
   39   HE22  GLN   5          HE22      GLN   5   6.161   5.905  -1.290
   40    H    CYS   6           H        CYS   6   2.742   8.163  -5.537
   41    HA   CYS   6           HA       CYS   6   4.968   6.833  -6.587
   42    HB2  CYS   6           HB2      CYS   6   2.063   6.631  -7.499
   43    HB3  CYS   6           HB3      CYS   6   3.322   5.430  -7.710
   44    H    CYS   7           H        CYS   7   3.053   9.257  -8.192
   45    HA   CYS   7           HA       CYS   7   4.233   8.583 -10.846
   46    HB2  CYS   7           HB2      CYS   7   1.782   8.963 -10.502
   47    HB3  CYS   7           HB3      CYS   7   2.130  10.648 -10.117
   48    H    THR   8           H        THR   8   4.181  11.292  -8.541
   49    HA   THR   8           HA       THR   8   5.926  13.016 -10.134
   50    HB   THR   8           HB       THR   8   5.029  13.275  -7.240
   51    HG1  THR   8           HG1      THR   8   3.333  14.484  -8.145
   52   HG21  THR   8          HG21      THR   8   5.924  15.357  -9.290
   53   HG22  THR   8          HG22      THR   8   6.819  14.875  -7.828
   54   HG23  THR   8          HG23      THR   8   5.269  15.718  -7.675
   55    H    SER   9           H        SER   9   6.289  10.921  -7.307
   56    HA   SER   9           HA       SER   9   9.262  10.985  -7.557
   57    HG   SER   9           HG       SER   9   9.764  10.804  -4.106
   58    HB2  SER   9           HB2      SER   9   8.440  12.034  -5.449
   59    HB3  SER   9           HB3      SER   9   7.605  10.530  -5.049
   60    H    ILE  10           H        ILE  10   8.840   8.602  -5.567
   61    HA   ILE  10           HA       ILE  10   7.943   6.513  -7.518
   62    HB   ILE  10           HB       ILE  10   9.869   5.125  -6.836
   63   HG12  ILE  10          HG12      ILE  10  10.850   7.639  -5.409
   64   HG13  ILE  10          HG13      ILE  10  10.476   6.068  -4.699
   65   HG21  ILE  10          HG21      ILE  10   9.817   6.465  -8.925
   66   HG22  ILE  10          HG22      ILE  10  10.750   7.737  -8.104
   67   HG23  ILE  10          HG23      ILE  10  11.447   6.121  -8.349
   68   HD11  ILE  10          HD11      ILE  10  12.417   5.105  -6.037
   69   HD12  ILE  10          HD12      ILE  10  12.812   6.770  -6.511
   70   HD13  ILE  10          HD13      ILE  10  12.858   6.304  -4.807
   71    H    CYS  11           H        CYS  11   7.195   4.570  -6.674
   72    HA   CYS  11           HA       CYS  11   6.822   4.349  -3.709
   73    HB2  CYS  11           HB2      CYS  11   4.865   3.721  -5.931
   74    HB3  CYS  11           HB3      CYS  11   4.699   3.090  -4.309
   75    H    SER  12           H        SER  12   6.636   2.184  -2.974
   76    HA   SER  12           HA       SER  12   8.030   0.158  -4.711
   77    HG   SER  12           HG       SER  12   9.782  -1.267  -2.082
   78    HB2  SER  12           HB2      SER  12   9.269   0.873  -2.636
   79    HB3  SER  12           HB3      SER  12   7.958   0.143  -1.690
   80    H    LEU  13           H        LEU  13   7.498  -2.031  -4.379
   81    HA   LEU  13           HA       LEU  13   4.703  -2.623  -4.667
   82    HG   LEU  13           HG       LEU  13   7.698  -3.358  -6.039
   83    HB2  LEU  13           HB2      LEU  13   7.020  -4.486  -4.018
   84    HB3  LEU  13           HB3      LEU  13   5.469  -4.945  -4.693
   85   HD11  LEU  13          HD11      LEU  13   6.438  -6.061  -6.688
   86   HD12  LEU  13          HD12      LEU  13   8.016  -5.798  -5.907
   87   HD13  LEU  13          HD13      LEU  13   7.755  -5.278  -7.579
   88   HD21  LEU  13          HD21      LEU  13   6.347  -3.330  -8.099
   89   HD22  LEU  13          HD22      LEU  13   5.569  -2.385  -6.822
   90   HD23  LEU  13          HD23      LEU  13   4.964  -4.007  -7.230
   91    H    TYR  14           H        TYR  14   6.904  -2.860  -1.896
   92    HA   TYR  14           HA       TYR  14   5.120  -4.102  -0.051
   93    HD1  TYR  14           HD2      TYR  14   6.168  -5.308   1.967
   94    HD2  TYR  14           HD1      TYR  14   7.151  -1.152   2.545
   95    HE1  TYR  14           HE2      TYR  14   5.839  -5.581   4.408
   96    HE2  TYR  14           HE1      TYR  14   6.806  -1.410   4.996
   97    HH   TYR  14           HH       TYR  14   5.867  -4.550   6.471
   98    HB2  TYR  14           HB2      TYR  14   7.550  -3.854   0.262
   99    HB3  TYR  14           HB3      TYR  14   7.376  -2.110   0.395
  100    H    GLN  15           H        GLN  15   5.268  -0.782  -1.192
  101    HA   GLN  15           HA       GLN  15   3.462   0.276   0.911
  102    HB2  GLN  15           HB2      GLN  15   4.582   1.572  -1.616
  103    HB3  GLN  15           HB3      GLN  15   3.641   2.387  -0.378
  104    HG2  GLN  15           HG2      GLN  15   5.359   2.010   1.300
  105    HG3  GLN  15           HG3      GLN  15   6.324   1.038   0.196
  106   HE21  GLN  15          HE21      GLN  15   6.903   3.707   1.619
  107   HE22  GLN  15          HE22      GLN  15   7.517   4.678   0.296
  108    H    LEU  16           H        LEU  16   3.319  -0.783  -2.507
  109    HA   LEU  16           HA       LEU  16   0.525  -0.170  -2.911
  110    HG   LEU  16           HG       LEU  16   3.348  -0.360  -4.729
  111    HB2  LEU  16           HB2      LEU  16   2.200  -2.397  -4.154
  112    HB3  LEU  16           HB3      LEU  16   0.680  -1.781  -4.763
  113   HD11  LEU  16          HD11      LEU  16   3.103  -0.405  -7.134
  114   HD12  LEU  16          HD12      LEU  16   1.489  -1.142  -6.996
  115   HD13  LEU  16          HD13      LEU  16   2.935  -2.041  -6.494
  116   HD21  LEU  16          HD21      LEU  16   0.657   0.815  -5.522
  117   HD22  LEU  16          HD22      LEU  16   2.247   1.551  -5.844
  118   HD23  LEU  16          HD23      LEU  16   1.688   1.365  -4.182
  119    H    GLU  17           H        GLU  17   2.162  -3.048  -1.585
  120    HA   GLU  17           HA       GLU  17  -0.045  -4.743  -1.429
  121    HB2  GLU  17           HB2      GLU  17   2.343  -5.346  -1.070
  122    HB3  GLU  17           HB3      GLU  17   2.276  -4.615   0.537
  123    HG2  GLU  17           HG2      GLU  17   0.673  -6.260   1.301
  124    HG3  GLU  17           HG3      GLU  17   0.377  -6.826  -0.340
  125    H    ASN  18           H        ASN  18   0.606  -2.001   0.639
  126    HA   ASN  18           HA       ASN  18  -0.989  -2.620   2.901
  127    HB2  ASN  18           HB2      ASN  18   0.636  -0.727   2.638
  128    HB3  ASN  18           HB3      ASN  18  -0.523   0.071   1.567
  129   HD21  ASN  18          HD21      ASN  18  -0.157  -1.254   4.913
  130   HD22  ASN  18          HD22      ASN  18  -1.260  -0.099   5.638
  131    H    TYR  19           H        TYR  19  -1.992  -1.823  -0.367
  132    HA   TYR  19           HA       TYR  19  -4.762  -1.150   0.441
  133    HD1  TYR  19           HD1      TYR  19  -5.667   1.367  -0.588
  134    HD2  TYR  19           HD2      TYR  19  -1.474   0.560  -1.174
  135    HE1  TYR  19           HE1      TYR  19  -5.103   3.582   0.405
  136    HE2  TYR  19           HE2      TYR  19  -0.904   2.762  -0.165
  137    HH   TYR  19           HH       TYR  19  -3.441   5.000   1.061
  138    HB2  TYR  19           HB2      TYR  19  -3.190  -0.911  -2.145
  139    HB3  TYR  19           HB3      TYR  19  -4.892  -0.518  -2.001
  140    H    CYS  20           H        CYS  20  -3.203  -4.019  -0.176
  141    HA   CYS  20           HA       CYS  20  -5.178  -5.343  -1.834
  142    HB2  CYS  20           HB2      CYS  20  -3.245  -6.547   0.166
  143    HB3  CYS  20           HB3      CYS  20  -4.128  -7.410  -1.086
  144    H    ASN  21           H        ASN  21  -6.568  -7.109  -1.149
  145    HA   ASN  21           HA       ASN  21  -7.692  -6.991   1.596
  146    HB2  ASN  21           HB2      ASN  21  -8.945  -5.338   0.225
  147    HB3  ASN  21           HB3      ASN  21  -9.302  -6.584  -0.966
  148   HD21  ASN  21          HD21      ASN  21  -9.632  -5.999   2.582
  149   HD22  ASN  21          HD22      ASN  21 -11.238  -6.719   2.678
  150    HA   PHE   1           HA       PHE   1  10.307  -5.934  -3.757
  151    HD1  PHE   1           HD2      PHE   1   7.892  -6.124  -2.579
  152    HD2  PHE   1           HD1      PHE   1  10.650  -5.005   0.549
  153    HE1  PHE   1           HE2      PHE   1   6.670  -7.569  -0.976
  154    HE2  PHE   1           HE1      PHE   1   9.436  -6.470   2.137
  155    HZ   PHE   1           HZ       PHE   1   7.443  -7.753   1.378
  156    H1   PHE   1           H1       PHE   1  12.556  -5.773  -1.872
  157    H2   PHE   1           H2       PHE   1  12.443  -6.799  -3.139
  158    H3   PHE   1           H3       PHE   1  11.397  -6.936  -1.886
  159    HB2  PHE   1           HB2      PHE   1  10.741  -3.884  -1.556
  160    HB3  PHE   1           HB3      PHE   1   9.366  -3.984  -2.643
  161    H    VAL   2           H        VAL   2  10.153  -3.174  -4.370
  162    HA   VAL   2           HA       VAL   2  12.651  -2.116  -5.275
  163    HB   VAL   2           HB       VAL   2  12.608  -4.017  -6.832
  164   HG11  VAL   2          HG11      VAL   2  10.163  -4.381  -7.020
  165   HG12  VAL   2          HG12      VAL   2  10.022  -2.896  -7.990
  166   HG13  VAL   2          HG13      VAL   2  10.961  -4.270  -8.593
  167   HG21  VAL   2          HG21      VAL   2  13.026  -2.835  -8.879
  168   HG22  VAL   2          HG22      VAL   2  12.073  -1.439  -8.344
  169   HG23  VAL   2          HG23      VAL   2  13.602  -1.842  -7.532
  170    H    ASN   3           H        ASN   3  12.447  -0.024  -5.841
  171    HA   ASN   3           HA       ASN   3   9.764   1.194  -5.771
  172    HB2  ASN   3           HB2      ASN   3  12.554   2.409  -5.718
  173    HB3  ASN   3           HB3      ASN   3  11.058   3.331  -5.730
  174   HD21  ASN   3          HD21      ASN   3  10.032   3.770  -3.788
  175   HD22  ASN   3          HD22      ASN   3  10.537   3.053  -2.272
  176    H    GLN   4           H        GLN   4   8.832   2.368  -7.390
  177    HA   GLN   4           HA       GLN   4  10.177   2.663 -10.030
  178    HB2  GLN   4           HB2      GLN   4   7.510   1.245  -9.536
  179    HB3  GLN   4           HB3      GLN   4   8.126   1.712 -11.118
  180    HG2  GLN   4           HG2      GLN   4  10.098   0.199 -10.787
  181    HG3  GLN   4           HG3      GLN   4   9.402  -0.335  -9.249
  182   HE21  GLN   4          HE21      GLN   4   7.096  -1.302  -9.391
  183   HE22  GLN   4          HE22      GLN   4   6.753  -2.242 -10.835
  184    H    HIS   5           H        HIS   5   9.079   4.162 -11.439
  185    HA   HIS   5           HA       HIS   5   7.244   6.128 -10.189
  186    HD1  HIS   5           HD1      HIS   5   8.577   8.638 -10.271
  187    HD2  HIS   5           HD2      HIS   5  10.802   6.400 -13.049
  188    HE1  HIS   5           HE1      HIS   5  10.906   9.660 -10.305
  189    HB2  HIS   5           HB2      HIS   5   8.283   5.888 -13.044
  190    HB3  HIS   5           HB3      HIS   5   7.265   7.177 -12.413
  191    H    LEU   6           H        LEU   6   5.102   5.852 -10.308
  192    HA   LEU   6           HA       LEU   6   3.830   4.003 -12.270
  193    HG   LEU   6           HG       LEU   6   5.563   2.532 -10.192
  194    HB2  LEU   6           HB2      LEU   6   3.672   3.888  -9.232
  195    HB3  LEU   6           HB3      LEU   6   2.558   3.039 -10.300
  196   HD11  LEU   6          HD11      LEU   6   3.227   1.011  -8.976
  197   HD12  LEU   6          HD12      LEU   6   4.465   1.920  -8.083
  198   HD13  LEU   6          HD13      LEU   6   4.919   0.463  -8.985
  199   HD21  LEU   6          HD21      LEU   6   4.987   0.458 -11.441
  200   HD22  LEU   6          HD22      LEU   6   4.551   1.884 -12.382
  201   HD23  LEU   6          HD23      LEU   6   3.291   0.969 -11.529
  202    H    CYS   7           H        CYS   7   2.177   5.015 -13.176
  203    HA   CYS   7           HA       CYS   7   0.665   7.138 -11.696
  204    HB2  CYS   7           HB2      CYS   7   1.403   7.053 -14.634
  205    HB3  CYS   7           HB3      CYS   7   0.525   8.343 -13.832
  206    H    GLY   8           H        GLY   8  -1.493   6.985 -11.829
  207    HA2  GLY   8           HA2      GLY   8  -3.651   6.226 -12.323
  208    HA3  GLY   8           HA3      GLY   8  -3.079   6.474 -13.962
  209    H    SER   9           H        SER   9  -3.372   4.808 -15.287
  210    HA   SER   9           HA       SER   9  -4.423   2.296 -14.539
  211    HG   SER   9           HG       SER   9  -5.039   3.553 -17.856
  212    HB2  SER   9           HB2      SER   9  -2.922   3.022 -17.086
  213    HB3  SER   9           HB3      SER   9  -4.072   1.685 -16.867
  214    H    HIS  10           H        HIS  10  -1.011   3.273 -15.016
  215    HA   HIS  10           HA       HIS  10   0.035   0.544 -14.993
  216    HD1  HIS  10           HD1      HIS  10   1.944   0.671 -17.365
  217    HD2  HIS  10           HD2      HIS  10   0.567   4.578 -16.656
  218    HE1  HIS  10           HE1      HIS  10   1.622   1.736 -19.656
  219    HB2  HIS  10           HB2      HIS  10   1.379   3.239 -14.527
  220    HB3  HIS  10           HB3      HIS  10   2.211   1.709 -14.792
  221    H    LEU  11           H        LEU  11  -0.505   3.086 -12.553
  222    HA   LEU  11           HA       LEU  11   0.666   1.632 -10.331
  223    HG   LEU  11           HG       LEU  11  -1.459   2.714  -8.247
  224    HB2  LEU  11           HB2      LEU  11   0.321   4.084 -10.314
  225    HB3  LEU  11           HB3      LEU  11  -1.413   3.865 -10.474
  226   HD11  LEU  11          HD11      LEU  11   0.873   1.938  -8.064
  227   HD12  LEU  11          HD12      LEU  11   0.480   3.038  -6.732
  228   HD13  LEU  11          HD13      LEU  11   1.455   3.623  -8.089
  229   HD21  LEU  11          HD21      LEU  11  -1.255   4.776  -6.979
  230   HD22  LEU  11          HD22      LEU  11  -1.995   5.085  -8.548
  231   HD23  LEU  11          HD23      LEU  11  -0.292   5.525  -8.273
  232    H    VAL  12           H        VAL  12  -2.679   1.957 -11.557
  233    HA   VAL  12           HA       VAL  12  -3.897   0.164  -9.698
  234    HB   VAL  12           HB       VAL  12  -4.684   1.037 -12.490
  235   HG11  VAL  12          HG11      VAL  12  -5.808  -1.134 -12.150
  236   HG12  VAL  12          HG12      VAL  12  -6.378  -0.591 -10.553
  237   HG13  VAL  12          HG13      VAL  12  -6.969   0.189 -12.039
  238   HG21  VAL  12          HG21      VAL  12  -5.803   1.726  -9.724
  239   HG22  VAL  12          HG22      VAL  12  -4.711   2.763 -10.658
  240   HG23  VAL  12          HG23      VAL  12  -6.327   2.417 -11.273
  241    H    GLU  13           H        GLU  13  -2.334  -0.538 -12.847
  242    HA   GLU  13           HA       GLU  13  -2.839  -3.358 -12.833
  243    HB2  GLU  13           HB2      GLU  13  -2.055  -1.923 -14.772
  244    HB3  GLU  13           HB3      GLU  13  -0.457  -1.881 -14.026
  245    HG2  GLU  13           HG2      GLU  13  -0.371  -3.560 -15.684
  246    HG3  GLU  13           HG3      GLU  13  -0.448  -4.422 -14.157
  247    H    ALA  14           H        ALA  14   0.003  -1.447 -11.614
  248    HA   ALA  14           HA       ALA  14   1.477  -3.663 -10.630
  249    HB1  ALA  14           HB1      ALA  14   2.399  -1.408 -10.992
  250    HB2  ALA  14           HB2      ALA  14   1.417  -0.774  -9.654
  251    HB3  ALA  14           HB3      ALA  14   2.695  -1.965  -9.335
  252    H    LEU  15           H        LEU  15  -0.971  -1.641  -8.935
  253    HA   LEU  15           HA       LEU  15  -0.967  -2.933  -6.406
  254    HG   LEU  15           HG       LEU  15  -1.199  -0.288  -6.713
  255    HB2  LEU  15           HB2      LEU  15  -3.074  -1.534  -8.088
  256    HB3  LEU  15           HB3      LEU  15  -3.508  -2.253  -6.544
  257   HD11  LEU  15          HD11      LEU  15  -4.156   0.375  -6.397
  258   HD12  LEU  15          HD12      LEU  15  -3.100   0.883  -7.727
  259   HD13  LEU  15          HD13      LEU  15  -2.811   1.502  -6.094
  260   HD21  LEU  15          HD21      LEU  15  -1.584  -1.682  -4.631
  261   HD22  LEU  15          HD22      LEU  15  -3.188  -0.949  -4.491
  262   HD23  LEU  15          HD23      LEU  15  -1.740   0.070  -4.359
  263    H    TYR  16           H        TYR  16  -3.061  -3.751  -9.242
  264    HA   TYR  16           HA       TYR  16  -4.201  -6.080  -8.136
  265    HD1  TYR  16           HD2      TYR  16  -6.292  -7.170  -9.175
  266    HD2  TYR  16           HD1      TYR  16  -3.429  -7.203 -12.400
  267    HE1  TYR  16           HE2      TYR  16  -7.189  -9.360  -9.944
  268    HE2  TYR  16           HE1      TYR  16  -4.325  -9.392 -13.174
  269    HH   TYR  16           HH       TYR  16  -5.856 -11.076 -12.808
  270    HB2  TYR  16           HB2      TYR  16  -5.060  -5.006 -10.148
  271    HB3  TYR  16           HB3      TYR  16  -3.569  -5.321 -11.012
  272    H    LEU  17           H        LEU  17  -1.158  -5.781  -9.978
  273    HA   LEU  17           HA       LEU  17  -0.594  -8.623  -9.984
  274    HG   LEU  17           HG       LEU  17  -0.656  -6.715 -12.268
  275    HB2  LEU  17           HB2      LEU  17   1.117  -6.164 -10.523
  276    HB3  LEU  17           HB3      LEU  17   1.724  -7.805 -10.700
  277   HD11  LEU  17          HD11      LEU  17   1.447  -5.518 -12.824
  278   HD12  LEU  17          HD12      LEU  17   0.926  -6.559 -14.160
  279   HD13  LEU  17          HD13      LEU  17   2.261  -7.072 -13.105
  280   HD21  LEU  17          HD21      LEU  17   0.979  -9.271 -12.573
  281   HD22  LEU  17          HD22      LEU  17  -0.239  -8.685 -13.728
  282   HD23  LEU  17          HD23      LEU  17  -0.734  -9.155 -12.106
  283    H    VAL  18           H        VAL  18   0.382  -6.035  -7.785
  284    HA   VAL  18           HA       VAL  18   2.139  -7.687  -6.170
  285    HB   VAL  18           HB       VAL  18   0.653  -5.099  -5.622
  286   HG11  VAL  18          HG11      VAL  18   0.755  -6.195  -3.419
  287   HG12  VAL  18          HG12      VAL  18   2.482  -6.549  -3.653
  288   HG13  VAL  18          HG13      VAL  18   1.913  -4.874  -3.508
  289   HG21  VAL  18          HG21      VAL  18   2.970  -4.200  -5.571
  290   HG22  VAL  18          HG22      VAL  18   3.616  -5.837  -5.813
  291   HG23  VAL  18          HG23      VAL  18   2.685  -5.052  -7.096
  292    H    CYS  19           H        CYS  19  -1.352  -6.897  -5.950
  293    HA   CYS  19           HA       CYS  19  -1.714  -8.449  -3.546
  294    HB2  CYS  19           HB2      CYS  19  -3.748  -7.412  -5.553
  295    HB3  CYS  19           HB3      CYS  19  -4.120  -8.054  -3.957
  296    H    GLY  20           H        GLY  20  -2.123  -9.263  -6.987
  297    HA2  GLY  20           HA2      GLY  20  -2.009 -11.311  -8.051
  298    HA3  GLY  20           HA3      GLY  20  -1.455 -12.003  -6.516
  299    H    GLU  21           H        GLU  21  -2.743 -13.401  -5.543
  300    HA   GLU  21           HA       GLU  21  -5.365 -14.139  -6.525
  301    HB2  GLU  21           HB2      GLU  21  -3.692 -15.687  -5.515
  302    HB3  GLU  21           HB3      GLU  21  -3.930 -14.904  -3.945
  303    HG2  GLU  21           HG2      GLU  21  -6.264 -15.654  -3.906
  304    HG3  GLU  21           HG3      GLU  21  -6.125 -16.305  -5.543
  305    H    ARG  22           H        ARG  22  -4.200 -11.937  -4.041
  306    HA   ARG  22           HA       ARG  22  -6.729 -11.603  -2.619
  307    HE   ARG  22           HE       ARG  22  -2.109 -10.712  -2.269
  308    HB2  ARG  22           HB2      ARG  22  -4.242  -9.860  -2.668
  309    HB3  ARG  22           HB3      ARG  22  -5.564  -9.724  -1.526
  310    HG2  ARG  22           HG2      ARG  22  -5.046 -11.823  -0.490
  311    HG3  ARG  22           HG3      ARG  22  -3.905 -12.274  -1.759
  312    HD2  ARG  22           HD2      ARG  22  -3.514  -9.889   0.079
  313    HD3  ARG  22           HD3      ARG  22  -2.835 -11.504   0.361
  314   HH11  ARG  22          HH21      ARG  22  -1.259  -9.879   1.100
  315   HH12  ARG  22          HH22      ARG  22   0.345  -9.359   0.596
  316   HH21  ARG  22          HH11      ARG  22   0.038  -9.937  -2.725
  317   HH22  ARG  22          HH12      ARG  22   0.995  -9.366  -1.369
  318    H    GLY  23           H        GLY  23  -7.965  -9.636  -2.608
  319    HA2  GLY  23           HA2      GLY  23  -8.261  -8.245  -5.232
  320    HA3  GLY  23           HA3      GLY  23  -9.305  -8.090  -3.805
  321    H    PHE  24           H        PHE  24  -8.892  -5.769  -4.648
  322    HA   PHE  24           HA       PHE  24  -7.252  -4.478  -2.659
  323    HD1  PHE  24           HD2      PHE  24  -6.892  -5.701  -6.667
  324    HD2  PHE  24           HD1      PHE  24  -6.065  -1.608  -5.578
  325    HE1  PHE  24           HE2      PHE  24  -7.306  -4.987  -9.005
  326    HE2  PHE  24           HE1      PHE  24  -6.443  -0.907  -7.928
  327    HZ   PHE  24           HZ       PHE  24  -7.063  -2.598  -9.644
  328    HB2  PHE  24           HB2      PHE  24  -5.688  -3.345  -3.996
  329    HB3  PHE  24           HB3      PHE  24  -5.599  -5.007  -4.520
  330    H    PHE  25           H        PHE  25  -7.457  -2.096  -2.710
  331    HA   PHE  25           HA       PHE  25  -9.292  -0.922  -4.634
  332    HD1  PHE  25           HD2      PHE  25 -12.001  -0.347  -4.818
  333    HD2  PHE  25           HD1      PHE  25 -10.354   1.479  -1.274
  334    HE1  PHE  25           HE2      PHE  25 -13.256   1.747  -5.310
  335    HE2  PHE  25           HE1      PHE  25 -11.609   3.559  -1.767
  336    HZ   PHE  25           HZ       PHE  25 -13.060   3.702  -3.787
  337    HB2  PHE  25           HB2      PHE  25 -10.918  -1.704  -2.959
  338    HB3  PHE  25           HB3      PHE  25 -10.037  -0.886  -1.680
  339    H    TYR  26           H        TYR  26  -8.472   0.887  -5.251
  340    HA   TYR  26           HA       TYR  26  -7.737   3.023  -3.490
  341    HD1  TYR  26           HD1      TYR  26  -5.767   4.400  -2.546
  342    HD2  TYR  26           HD2      TYR  26  -4.556   3.288  -6.532
  343    HE1  TYR  26           HE1      TYR  26  -5.050   6.738  -2.976
  344    HE2  TYR  26           HE2      TYR  26  -3.821   5.600  -6.966
  345    HH   TYR  26           HH       TYR  26  -4.300   8.232  -4.561
  346    HB2  TYR  26           HB2      TYR  26  -5.593   1.884  -3.400
  347    HB3  TYR  26           HB3      TYR  26  -5.574   1.681  -5.150
  348    H    THR  27           H        THR  27  -7.615   5.025  -4.556
  349    HA   THR  27           HA       THR  27  -7.472   5.394  -7.379
  350    HB   THR  27           HB       THR  27  -9.802   4.644  -7.336
  351    HG1  THR  27           HG1      THR  27 -10.627   6.453  -8.392
  352   HG21  THR  27          HG21      THR  27 -10.444   5.340  -5.027
  353   HG22  THR  27          HG22      THR  27 -11.577   5.903  -6.258
  354   HG23  THR  27          HG23      THR  27 -10.412   7.039  -5.549
  355    HA   PRO  28           HA       PRO  28  -5.971   9.239  -5.615
  356    HB2  PRO  28           HB2      PRO  28  -6.042  10.925  -7.793
  357    HB3  PRO  28           HB3      PRO  28  -4.812   9.659  -7.521
  358    HG2  PRO  28           HG2      PRO  28  -7.330   9.482  -9.197
  359    HG3  PRO  28           HG3      PRO  28  -5.664   9.011  -9.663
  360    HD2  PRO  28           HD2      PRO  28  -7.418   7.164  -8.806
  361    HD3  PRO  28           HD3      PRO  28  -5.722   7.087  -8.263
  362    H    LYS  29           H        LYS  29  -6.744  11.335  -4.949
  363    HA   LYS  29           HA       LYS  29  -9.588  11.370  -4.494
  364    HB2  LYS  29           HB2      LYS  29  -9.112  13.131  -2.964
  365    HB3  LYS  29           HB3      LYS  29  -7.797  11.963  -2.854
  366    HG2  LYS  29           HG2      LYS  29  -6.435  13.487  -4.373
  367    HG3  LYS  29           HG3      LYS  29  -7.759  14.669  -4.273
  368    HD2  LYS  29           HD2      LYS  29  -7.517  14.573  -1.735
  369    HD3  LYS  29           HD3      LYS  29  -6.045  13.632  -1.974
  370    HE2  LYS  29           HE2      LYS  29  -6.592  16.483  -2.924
  371    HE3  LYS  29           HE3      LYS  29  -5.537  16.000  -1.595
  372    HZ1  LYS  29           HZ1      LYS  29  -5.091  15.418  -4.467
  373    HZ2  LYS  29           HZ2      LYS  29  -4.128  14.845  -3.272
  374    HZ3  LYS  29           HZ3      LYS  29  -4.227  16.445  -3.537
  375    H    THR  30           H        THR  30  -8.091  12.398  -7.216
  376    HA   THR  30           HA       THR  30  -9.126  15.015  -7.767
  377    HB   THR  30           HB       THR  30  -8.622  14.383 -10.167
  378    HG1  THR  30           HG1      THR  30  -8.895  12.102  -9.756
  379   HG21  THR  30          HG21      THR  30  -6.960  15.521  -8.749
  380   HG22  THR  30          HG22      THR  30  -6.181  14.351  -9.827
  381   HG23  THR  30          HG23      THR  30  -6.409  13.962  -8.108
  Start of MODEL   28
    1    H1   GLY   1           H1       GLY   1  -3.204  10.292  -0.864
    2    H2   GLY   1           H2       GLY   1  -1.769  10.402  -0.075
    3    H3   GLY   1           H3       GLY   1  -2.878   9.281   0.379
    4    HA2  GLY   1           HA2      GLY   1  -1.475   9.317  -2.205
    5    HA3  GLY   1           HA3      GLY   1  -1.090   8.236  -0.847
    6    H    ILE   2           H        ILE   2  -3.390   6.347  -3.116
    7    HA   ILE   2           HA       ILE   2  -0.527   7.101  -2.842
    8    HB   ILE   2           HB       ILE   2  -1.294   4.781  -2.628
    9   HG12  ILE   2          HG12      ILE   2   0.267   3.634  -4.083
   10   HG13  ILE   2          HG13      ILE   2   0.478   5.075  -5.078
   11   HG21  ILE   2          HG21      ILE   2  -3.201   4.724  -4.159
   12   HG22  ILE   2          HG22      ILE   2  -2.118   4.935  -5.553
   13   HG23  ILE   2          HG23      ILE   2  -2.040   3.463  -4.575
   14   HD11  ILE   2          HD11      ILE   2   1.526   6.249  -3.190
   15   HD12  ILE   2          HD12      ILE   2   1.133   4.906  -2.093
   16   HD13  ILE   2          HD13      ILE   2   2.313   4.681  -3.399
   17    H    VAL   3           H        VAL   3  -3.040   7.669  -5.209
   18    HA   VAL   3           HA       VAL   3  -1.544   6.963  -7.430
   19    HB   VAL   3           HB       VAL   3  -3.913   8.836  -7.352
   20   HG11  VAL   3          HG11      VAL   3  -4.348   8.084  -9.695
   21   HG12  VAL   3          HG12      VAL   3  -2.873   9.036  -9.557
   22   HG13  VAL   3          HG13      VAL   3  -2.772   7.262  -9.709
   23   HG21  VAL   3          HG21      VAL   3  -4.430   6.677  -6.329
   24   HG22  VAL   3          HG22      VAL   3  -5.179   6.709  -7.928
   25   HG23  VAL   3          HG23      VAL   3  -3.669   5.808  -7.670
   26    H    GLU   4           H        GLU   4  -1.991  10.347  -6.258
   27    HA   GLU   4           HA       GLU   4  -0.407  11.486  -8.406
   28    HB2  GLU   4           HB2      GLU   4  -1.276  12.530  -5.692
   29    HB3  GLU   4           HB3      GLU   4  -0.286  13.481  -6.786
   30    HG2  GLU   4           HG2      GLU   4  -3.018  12.343  -7.504
   31    HG3  GLU   4           HG3      GLU   4  -2.747  13.969  -6.872
   32    H    GLN   5           H        GLN   5   0.359  10.408  -5.079
   33    HA   GLN   5           HA       GLN   5   2.961  11.544  -4.940
   34    HB2  GLN   5           HB2      GLN   5   1.618  10.803  -3.000
   35    HB3  GLN   5           HB3      GLN   5   1.786   9.120  -3.487
   36    HG2  GLN   5           HG2      GLN   5   4.147  10.932  -2.817
   37    HG3  GLN   5           HG3      GLN   5   3.304   9.988  -1.602
   38   HE21  GLN   5          HE21      GLN   5   6.184   9.857  -2.843
   39   HE22  GLN   5          HE22      GLN   5   6.338   8.149  -3.252
   40    H    CYS   6           H        CYS   6   1.997   8.175  -5.857
   41    HA   CYS   6           HA       CYS   6   4.750   7.466  -6.461
   42    HB2  CYS   6           HB2      CYS   6   2.791   6.008  -5.710
   43    HB3  CYS   6           HB3      CYS   6   2.288   5.983  -7.402
   44    H    CYS   7           H        CYS   7   2.484   9.229  -8.204
   45    HA   CYS   7           HA       CYS   7   3.537   8.577 -10.890
   46    HB2  CYS   7           HB2      CYS   7   1.133   8.987 -10.400
   47    HB3  CYS   7           HB3      CYS   7   1.502  10.666 -10.013
   48    H    THR   8           H        THR   8   3.600  11.408  -8.629
   49    HA   THR   8           HA       THR   8   5.477  12.871 -10.384
   50    HB   THR   8           HB       THR   8   5.380  14.620  -8.680
   51    HG1  THR   8           HG1      THR   8   3.941  14.338  -6.928
   52   HG21  THR   8          HG21      THR   8   3.043  15.256  -8.967
   53   HG22  THR   8          HG22      THR   8   2.595  13.590  -9.392
   54   HG23  THR   8          HG23      THR   8   3.641  14.532 -10.466
   55    H    SER   9           H        SER   9   5.577  11.269  -7.212
   56    HA   SER   9           HA       SER   9   8.576  11.240  -7.306
   57    HG   SER   9           HG       SER   9   8.820  11.297  -3.855
   58    HB2  SER   9           HB2      SER   9   7.511  12.335  -5.335
   59    HB3  SER   9           HB3      SER   9   6.735  10.797  -4.931
   60    H    ILE  10           H        ILE  10   8.464   8.949  -5.384
   61    HA   ILE  10           HA       ILE  10   7.632   6.731  -7.225
   62    HB   ILE  10           HB       ILE  10   9.661   5.502  -6.581
   63   HG12  ILE  10          HG12      ILE  10  10.531   8.062  -5.171
   64   HG13  ILE  10          HG13      ILE  10  10.167   6.508  -4.415
   65   HG21  ILE  10          HG21      ILE  10  11.159   6.614  -8.089
   66   HG22  ILE  10          HG22      ILE  10   9.513   6.884  -8.649
   67   HG23  ILE  10          HG23      ILE  10  10.381   8.185  -7.801
   68   HD11  ILE  10          HD11      ILE  10  12.071   5.504  -5.775
   69   HD12  ILE  10          HD12      ILE  10  12.513   7.162  -6.227
   70   HD13  ILE  10          HD13      ILE  10  12.538   6.677  -4.527
   71    H    CYS  11           H        CYS  11   7.193   4.697  -6.295
   72    HA   CYS  11           HA       CYS  11   7.095   4.499  -3.354
   73    HB2  CYS  11           HB2      CYS  11   4.859   3.758  -3.215
   74    HB3  CYS  11           HB3      CYS  11   4.841   5.307  -4.029
   75    H    SER  12           H        SER  12   6.788   2.309  -2.592
   76    HA   SER  12           HA       SER  12   8.062   0.314  -4.424
   77    HG   SER  12           HG       SER  12   9.865  -1.057  -1.785
   78    HB2  SER  12           HB2      SER  12   9.253   1.072  -2.312
   79    HB3  SER  12           HB3      SER  12   7.979   0.244  -1.406
   80    H    LEU  13           H        LEU  13   7.610  -1.940  -4.014
   81    HA   LEU  13           HA       LEU  13   4.848  -2.574  -4.454
   82    HG   LEU  13           HG       LEU  13   7.905  -3.313  -5.610
   83    HB2  LEU  13           HB2      LEU  13   7.123  -4.405  -3.588
   84    HB3  LEU  13           HB3      LEU  13   5.625  -4.890  -4.353
   85   HD11  LEU  13          HD11      LEU  13   8.134  -5.276  -7.052
   86   HD12  LEU  13          HD12      LEU  13   6.761  -6.059  -6.231
   87   HD13  LEU  13          HD13      LEU  13   8.274  -5.732  -5.345
   88   HD21  LEU  13          HD21      LEU  13   6.679  -3.408  -7.744
   89   HD22  LEU  13          HD22      LEU  13   5.822  -2.416  -6.564
   90   HD23  LEU  13          HD23      LEU  13   5.255  -4.065  -6.915
   91    H    TYR  14           H        TYR  14   6.854  -2.697  -1.533
   92    HA   TYR  14           HA       TYR  14   4.930  -3.885   0.205
   93    HD1  TYR  14           HD1      TYR  14   5.890  -5.140   2.241
   94    HD2  TYR  14           HD2      TYR  14   6.813  -0.989   2.935
   95    HE1  TYR  14           HE1      TYR  14   5.393  -5.439   4.664
   96    HE2  TYR  14           HE2      TYR  14   6.319  -1.278   5.357
   97    HH   TYR  14           HH       TYR  14   5.283  -4.436   6.730
   98    HB2  TYR  14           HB2      TYR  14   7.356  -3.667   0.652
   99    HB3  TYR  14           HB3      TYR  14   7.179  -1.918   0.787
  100    H    GLN  15           H        GLN  15   5.176  -0.601  -1.005
  101    HA   GLN  15           HA       GLN  15   3.241   0.518   0.961
  102    HB2  GLN  15           HB2      GLN  15   4.575   1.744  -1.491
  103    HB3  GLN  15           HB3      GLN  15   3.515   2.585  -0.368
  104    HG2  GLN  15           HG2      GLN  15   5.106   2.254   1.469
  105    HG3  GLN  15           HG3      GLN  15   6.172   1.305   0.424
  106   HE21  GLN  15          HE21      GLN  15   5.466   4.528   1.491
  107   HE22  GLN  15          HE22      GLN  15   6.490   5.330   0.312
  108    H    LEU  16           H        LEU  16   3.349  -0.569  -2.466
  109    HA   LEU  16           HA       LEU  16   0.573  -0.017  -3.035
  110    HG   LEU  16           HG       LEU  16   3.319  -0.008  -4.710
  111    HB2  LEU  16           HB2      LEU  16   2.414  -2.206  -4.093
  112    HB3  LEU  16           HB3      LEU  16   0.853  -1.792  -4.773
  113   HD11  LEU  16          HD11      LEU  16   3.414  -1.862  -6.335
  114   HD12  LEU  16          HD12      LEU  16   3.247  -0.306  -7.151
  115   HD13  LEU  16          HD13      LEU  16   1.837  -1.379  -6.998
  116   HD21  LEU  16          HD21      LEU  16   1.994   1.533  -6.150
  117   HD22  LEU  16          HD22      LEU  16   1.344   1.435  -4.512
  118   HD23  LEU  16          HD23      LEU  16   0.538   0.570  -5.840
  119    H    GLU  17           H        GLU  17   2.140  -2.837  -1.496
  120    HA   GLU  17           HA       GLU  17  -0.123  -4.458  -1.357
  121    HB2  GLU  17           HB2      GLU  17   2.215  -5.151  -0.946
  122    HB3  GLU  17           HB3      GLU  17   2.170  -4.359   0.638
  123    HG2  GLU  17           HG2      GLU  17   0.490  -5.909   1.439
  124    HG3  GLU  17           HG3      GLU  17   0.175  -6.500  -0.198
  125    H    ASN  18           H        ASN  18   0.565  -1.657   0.619
  126    HA   ASN  18           HA       ASN  18  -1.124  -2.111   2.860
  127    HB2  ASN  18           HB2      ASN  18   0.492  -0.247   2.640
  128    HB3  ASN  18           HB3      ASN  18  -0.498   0.454   1.355
  129   HD21  ASN  18          HD21      ASN  18  -2.092   1.916   1.923
  130   HD22  ASN  18          HD22      ASN  18  -2.643   2.146   3.571
  131    H    TYR  19           H        TYR  19  -1.989  -1.453  -0.486
  132    HA   TYR  19           HA       TYR  19  -4.764  -0.640   0.174
  133    HD1  TYR  19           HD2      TYR  19  -5.450   1.906  -1.036
  134    HD2  TYR  19           HD1      TYR  19  -1.313   0.763  -1.435
  135    HE1  TYR  19           HE2      TYR  19  -4.756   4.169  -0.268
  136    HE2  TYR  19           HE1      TYR  19  -0.610   3.019  -0.656
  137    HH   TYR  19           HH       TYR  19  -2.999   5.551   0.237
  138    HB2  TYR  19           HB2      TYR  19  -3.116  -0.642  -2.375
  139    HB3  TYR  19           HB3      TYR  19  -4.787  -0.137  -2.273
  140    H    CYS  20           H        CYS  20  -3.288  -3.608  -0.235
  141    HA   CYS  20           HA       CYS  20  -5.173  -4.911  -1.987
  142    HB2  CYS  20           HB2      CYS  20  -3.473  -6.109   0.209
  143    HB3  CYS  20           HB3      CYS  20  -4.284  -6.994  -1.084
  144    H    ASN  21           H        ASN  21  -6.766  -6.495  -1.448
  145    HA   ASN  21           HA       ASN  21  -8.168  -6.208   1.165
  146    HB2  ASN  21           HB2      ASN  21  -9.101  -4.515  -0.404
  147    HB3  ASN  21           HB3      ASN  21  -9.390  -5.779  -1.601
  148   HD21  ASN  21          HD21      ASN  21 -10.189  -5.027   1.834
  149   HD22  ASN  21          HD22      ASN  21 -11.841  -5.622   1.702
  150    HA   PHE   1           HA       PHE   1  10.623  -5.634  -3.198
  151    HD1  PHE   1           HD1      PHE   1   8.226  -5.966  -2.087
  152    HD2  PHE   1           HD2      PHE   1  10.695  -4.299   1.043
  153    HE1  PHE   1           HE1      PHE   1   7.062  -7.375  -0.411
  154    HE2  PHE   1           HE2      PHE   1   9.534  -5.724   2.704
  155    HZ   PHE   1           HZ       PHE   1   7.723  -7.265   1.984
  156    H1   PHE   1           H1       PHE   1  11.713  -6.387  -1.211
  157    H2   PHE   1           H2       PHE   1  12.779  -5.148  -1.258
  158    H3   PHE   1           H3       PHE   1  12.790  -6.278  -2.443
  159    HB2  PHE   1           HB2      PHE   1  10.804  -3.379  -1.158
  160    HB3  PHE   1           HB3      PHE   1   9.486  -3.697  -2.281
  161    H    VAL   2           H        VAL   2  10.326  -2.853  -3.909
  162    HA   VAL   2           HA       VAL   2  12.751  -1.697  -4.833
  163    HB   VAL   2           HB       VAL   2  12.909  -3.611  -6.342
  164   HG11  VAL   2          HG11      VAL   2  11.307  -4.111  -8.092
  165   HG12  VAL   2          HG12      VAL   2  10.514  -4.254  -6.517
  166   HG13  VAL   2          HG13      VAL   2  10.226  -2.833  -7.544
  167   HG21  VAL   2          HG21      VAL   2  12.095  -1.161  -7.938
  168   HG22  VAL   2          HG22      VAL   2  13.668  -1.385  -7.125
  169   HG23  VAL   2          HG23      VAL   2  13.183  -2.472  -8.436
  170    H    ASN   3           H        ASN   3  12.392   0.369  -5.429
  171    HA   ASN   3           HA       ASN   3   9.578   1.282  -5.555
  172    HB2  ASN   3           HB2      ASN   3  10.456   3.501  -4.909
  173    HB3  ASN   3           HB3      ASN   3  10.686   2.233  -3.723
  174   HD21  ASN   3          HD21      ASN   3  12.214   3.990  -2.895
  175   HD22  ASN   3          HD22      ASN   3  13.864   3.899  -3.487
  176    H    GLN   4           H        GLN   4   8.759   2.634  -7.054
  177    HA   GLN   4           HA       GLN   4  10.280   3.154  -9.573
  178    HB2  GLN   4           HB2      GLN   4   7.729   1.491  -9.278
  179    HB3  GLN   4           HB3      GLN   4   8.386   2.055 -10.812
  180    HG2  GLN   4           HG2      GLN   4  10.476   0.741 -10.378
  181    HG3  GLN   4           HG3      GLN   4   9.714   0.073  -8.923
  182   HE21  GLN   4          HE21      GLN   4   7.597  -1.167  -9.262
  183   HE22  GLN   4          HE22      GLN   4   7.439  -2.025 -10.786
  184    H    HIS   5           H        HIS   5   9.072   4.527 -11.075
  185    HA   HIS   5           HA       HIS   5   6.977   6.290  -9.895
  186    HD1  HIS   5           HD1      HIS   5   7.945   8.995  -9.924
  187    HD2  HIS   5           HD2      HIS   5  10.648   7.087 -12.510
  188    HE1  HIS   5           HE1      HIS   5  10.104  10.342  -9.809
  189    HB2  HIS   5           HB2      HIS   5   8.226   6.233 -12.677
  190    HB3  HIS   5           HB3      HIS   5   7.000   7.363 -12.123
  191    H    LEU   6           H        LEU   6   4.864   5.797 -10.224
  192    HA   LEU   6           HA       LEU   6   3.992   3.957 -12.387
  193    HG   LEU   6           HG       LEU   6   5.662   2.478 -10.264
  194    HB2  LEU   6           HB2      LEU   6   3.529   3.546  -9.406
  195    HB3  LEU   6           HB3      LEU   6   2.645   2.692 -10.661
  196   HD11  LEU   6          HD11      LEU   6   5.178   0.295  -9.210
  197   HD12  LEU   6          HD12      LEU   6   3.436   0.649  -9.308
  198   HD13  LEU   6          HD13      LEU   6   4.496   1.649  -8.286
  199   HD21  LEU   6          HD21      LEU   6   4.893   1.874 -12.558
  200   HD22  LEU   6          HD22      LEU   6   3.693   0.762 -11.855
  201   HD23  LEU   6          HD23      LEU   6   5.429   0.448 -11.664
  202    H    CYS   7           H        CYS   7   2.035   4.552 -13.199
  203    HA   CYS   7           HA       CYS   7   0.260   6.333 -11.669
  204    HB2  CYS   7           HB2      CYS   7   2.181   7.609 -12.849
  205    HB3  CYS   7           HB3      CYS   7   1.329   7.267 -14.351
  206    H    GLY   8           H        GLY   8  -1.739   6.670 -12.640
  207    HA2  GLY   8           HA2      GLY   8  -3.738   5.918 -13.599
  208    HA3  GLY   8           HA3      GLY   8  -2.768   5.934 -15.066
  209    H    SER   9           H        SER   9  -3.263   4.190 -16.184
  210    HA   SER   9           HA       SER   9  -4.296   1.739 -15.259
  211    HG   SER   9           HG       SER   9  -4.746   2.666 -18.711
  212    HB2  SER   9           HB2      SER   9  -2.660   2.208 -17.778
  213    HB3  SER   9           HB3      SER   9  -3.841   0.917 -17.495
  214    H    HIS  10           H        HIS  10  -0.863   2.687 -15.640
  215    HA   HIS  10           HA       HIS  10   0.092  -0.053 -15.220
  216    HD1  HIS  10           HD1      HIS  10   1.442  -0.888 -17.123
  217    HD2  HIS  10           HD2      HIS  10   1.622   3.254 -17.919
  218    HE1  HIS  10           HE1      HIS  10   1.597  -0.641 -19.649
  219    HB2  HIS  10           HB2      HIS  10   1.458   2.649 -15.393
  220    HB3  HIS  10           HB3      HIS  10   2.327   1.137 -15.071
  221    H    LEU  11           H        LEU  11  -0.641   2.684 -13.097
  222    HA   LEU  11           HA       LEU  11   0.526   1.391 -10.745
  223    HG   LEU  11           HG       LEU  11  -1.736   2.749  -8.777
  224    HB2  LEU  11           HB2      LEU  11   0.219   3.815 -10.850
  225    HB3  LEU  11           HB3      LEU  11  -1.515   3.637 -11.042
  226   HD11  LEU  11          HD11      LEU  11   0.419   1.554  -8.475
  227   HD12  LEU  11          HD12      LEU  11   0.180   2.754  -7.205
  228   HD13  LEU  11          HD13      LEU  11   1.290   3.104  -8.540
  229   HD21  LEU  11          HD21      LEU  11  -1.762   5.191  -9.154
  230   HD22  LEU  11          HD22      LEU  11  -0.005   5.260  -8.894
  231   HD23  LEU  11          HD23      LEU  11  -1.080   4.782  -7.566
  232    H    VAL  12           H        VAL  12  -2.746   1.601 -12.172
  233    HA   VAL  12           HA       VAL  12  -4.064  -0.140 -10.330
  234    HB   VAL  12           HB       VAL  12  -4.576   0.409 -13.274
  235   HG11  VAL  12          HG11      VAL  12  -6.386  -1.107 -11.343
  236   HG12  VAL  12          HG12      VAL  12  -6.843  -0.543 -12.965
  237   HG13  VAL  12          HG13      VAL  12  -5.608  -1.787 -12.795
  238   HG21  VAL  12          HG21      VAL  12  -6.023   1.330 -10.757
  239   HG22  VAL  12          HG22      VAL  12  -4.905   2.316 -11.720
  240   HG23  VAL  12          HG23      VAL  12  -6.434   1.777 -12.426
  241    H    GLU  13           H        GLU  13  -2.242  -0.955 -13.304
  242    HA   GLU  13           HA       GLU  13  -2.471  -3.781 -13.203
  243    HB2  GLU  13           HB2      GLU  13  -1.693  -2.444 -15.114
  244    HB3  GLU  13           HB3      GLU  13  -0.273  -1.938 -14.211
  245    HG2  GLU  13           HG2      GLU  13   0.609  -4.210 -14.229
  246    HG3  GLU  13           HG3      GLU  13  -0.870  -4.802 -15.007
  247    H    ALA  14           H        ALA  14   0.093  -1.622 -11.815
  248    HA   ALA  14           HA       ALA  14   1.627  -3.713 -10.638
  249    HB1  ALA  14           HB1      ALA  14   2.440  -1.408 -11.017
  250    HB2  ALA  14           HB2      ALA  14   1.335  -0.803  -9.759
  251    HB3  ALA  14           HB3      ALA  14   2.662  -1.906  -9.334
  252    H    LEU  15           H        LEU  15  -1.018  -1.757  -9.179
  253    HA   LEU  15           HA       LEU  15  -1.069  -2.992  -6.612
  254    HG   LEU  15           HG       LEU  15  -1.348  -0.283  -7.196
  255    HB2  LEU  15           HB2      LEU  15  -3.199  -1.709  -8.367
  256    HB3  LEU  15           HB3      LEU  15  -3.568  -2.310  -6.762
  257   HD11  LEU  15          HD11      LEU  15  -4.289   0.280  -6.616
  258   HD12  LEU  15          HD12      LEU  15  -3.419   0.681  -8.111
  259   HD13  LEU  15          HD13      LEU  15  -2.968   1.473  -6.595
  260   HD21  LEU  15          HD21      LEU  15  -1.777   0.226  -4.817
  261   HD22  LEU  15          HD22      LEU  15  -1.406  -1.489  -5.007
  262   HD23  LEU  15          HD23      LEU  15  -3.084  -0.973  -4.777
  263    H    TYR  16           H        TYR  16  -2.943  -3.912  -9.566
  264    HA   TYR  16           HA       TYR  16  -4.121  -6.252  -8.526
  265    HD1  TYR  16           HD1      TYR  16  -6.017  -7.543  -9.823
  266    HD2  TYR  16           HD2      TYR  16  -2.743  -7.376 -12.629
  267    HE1  TYR  16           HE1      TYR  16  -6.617  -9.809 -10.655
  268    HE2  TYR  16           HE2      TYR  16  -3.346  -9.636 -13.474
  269    HH   TYR  16           HH       TYR  16  -6.108 -11.500 -12.135
  270    HB2  TYR  16           HB2      TYR  16  -4.831  -5.299 -10.620
  271    HB3  TYR  16           HB3      TYR  16  -3.239  -5.489 -11.326
  272    H    LEU  17           H        LEU  17  -0.914  -5.927 -10.076
  273    HA   LEU  17           HA       LEU  17  -0.326  -8.770  -9.884
  274    HG   LEU  17           HG       LEU  17  -0.275  -6.984 -12.273
  275    HB2  LEU  17           HB2      LEU  17   1.394  -6.323 -10.464
  276    HB3  LEU  17           HB3      LEU  17   2.016  -7.970 -10.514
  277   HD11  LEU  17          HD11      LEU  17   1.848  -5.815 -12.776
  278   HD12  LEU  17          HD12      LEU  17   1.386  -6.917 -14.083
  279   HD13  LEU  17          HD13      LEU  17   2.681  -7.374 -12.947
  280   HD21  LEU  17          HD21      LEU  17  -0.346  -9.418 -11.969
  281   HD22  LEU  17          HD22      LEU  17   1.387  -9.542 -12.365
  282   HD23  LEU  17          HD23      LEU  17   0.213  -9.025 -13.595
  283    H    VAL  18           H        VAL  18   0.418  -6.051  -7.773
  284    HA   VAL  18           HA       VAL  18   2.137  -7.579  -5.981
  285    HB   VAL  18           HB       VAL  18   0.644  -4.950  -5.697
  286   HG11  VAL  18          HG11      VAL  18   1.849  -4.584  -3.552
  287   HG12  VAL  18          HG12      VAL  18   0.641  -5.854  -3.416
  288   HG13  VAL  18          HG13      VAL  18   2.361  -6.284  -3.553
  289   HG21  VAL  18          HG21      VAL  18   2.950  -4.039  -5.623
  290   HG22  VAL  18          HG22      VAL  18   3.618  -5.675  -5.707
  291   HG23  VAL  18          HG23      VAL  18   2.734  -5.013  -7.089
  292    H    CYS  19           H        CYS  19  -1.350  -6.768  -6.010
  293    HA   CYS  19           HA       CYS  19  -1.799  -8.115  -3.464
  294    HB2  CYS  19           HB2      CYS  19  -3.716  -6.928  -5.489
  295    HB3  CYS  19           HB3      CYS  19  -4.164  -7.529  -3.892
  296    H    GLY  20           H        GLY  20  -2.328  -9.078  -6.851
  297    HA2  GLY  20           HA2      GLY  20  -4.313 -10.917  -6.616
  298    HA3  GLY  20           HA3      GLY  20  -3.008 -11.111  -7.772
  299    H    GLU  21           H        GLU  21  -3.236 -13.979  -5.070
  300    HA   GLU  21           HA       GLU  21  -5.224 -13.033  -6.927
  301    HB2  GLU  21           HB2      GLU  21  -5.349 -15.069  -4.673
  302    HB3  GLU  21           HB3      GLU  21  -6.611 -14.820  -5.884
  303    HG2  GLU  21           HG2      GLU  21  -4.986 -15.384  -7.688
  304    HG3  GLU  21           HG3      GLU  21  -3.768 -15.741  -6.462
  305    H    ARG  22           H        ARG  22  -4.467 -11.620  -3.937
  306    HA   ARG  22           HA       ARG  22  -7.105 -11.076  -2.882
  307    HE   ARG  22           HE       ARG  22  -2.505 -10.283  -2.133
  308    HB2  ARG  22           HB2      ARG  22  -4.629  -9.342  -2.607
  309    HB3  ARG  22           HB3      ARG  22  -6.043  -9.320  -1.593
  310    HG2  ARG  22           HG2      ARG  22  -5.543 -11.408  -0.579
  311    HG3  ARG  22           HG3      ARG  22  -4.315 -11.825  -1.777
  312    HD2  ARG  22           HD2      ARG  22  -4.046  -9.459   0.109
  313    HD3  ARG  22           HD3      ARG  22  -3.401 -11.074   0.438
  314   HH11  ARG  22          HH21      ARG  22  -1.820  -9.421   1.270
  315   HH12  ARG  22          HH22      ARG  22  -0.165  -8.999   0.851
  316   HH21  ARG  22          HH11      ARG  22  -0.303  -9.656  -2.459
  317   HH22  ARG  22          HH12      ARG  22   0.591  -9.083  -1.062
  318    H    GLY  23           H        GLY  23  -8.212  -9.008  -2.963
  319    HA2  GLY  23           HA2      GLY  23  -8.213  -7.646  -5.603
  320    HA3  GLY  23           HA3      GLY  23  -9.334  -7.381  -4.248
  321    H    PHE  24           H        PHE  24  -8.708  -5.096  -5.110
  322    HA   PHE  24           HA       PHE  24  -6.884  -3.935  -3.161
  323    HD1  PHE  24           HD2      PHE  24  -6.405  -5.641  -6.982
  324    HD2  PHE  24           HD1      PHE  24  -6.178  -1.365  -6.479
  325    HE1  PHE  24           HE2      PHE  24  -6.958  -5.332  -9.382
  326    HE2  PHE  24           HE1      PHE  24  -6.699  -1.060  -8.894
  327    HZ   PHE  24           HZ       PHE  24  -7.097  -3.049 -10.341
  328    HB2  PHE  24           HB2      PHE  24  -5.396  -2.858  -4.733
  329    HB3  PHE  24           HB3      PHE  24  -5.337  -4.597  -4.984
  330    H    PHE  25           H        PHE  25  -6.976  -1.677  -2.993
  331    HA   PHE  25           HA       PHE  25  -9.423  -0.384  -4.086
  332    HD1  PHE  25           HD2      PHE  25 -11.260   0.668  -2.672
  333    HD2  PHE  25           HD1      PHE  25  -7.636   2.737  -1.556
  334    HE1  PHE  25           HE2      PHE  25 -12.505   2.815  -2.566
  335    HE2  PHE  25           HE1      PHE  25  -8.893   4.862  -1.411
  336    HZ   PHE  25           HZ       PHE  25 -11.329   4.913  -1.923
  337    HB2  PHE  25           HB2      PHE  25  -9.133  -0.499  -1.609
  338    HB3  PHE  25           HB3      PHE  25  -7.611   0.368  -1.761
  339    H    TYR  26           H        TYR  26  -9.324   1.624  -5.042
  340    HA   TYR  26           HA       TYR  26  -6.828   3.042  -5.573
  341    HD1  TYR  26           HD1      TYR  26  -8.807   3.541  -9.220
  342    HD2  TYR  26           HD2      TYR  26  -4.798   2.730  -7.859
  343    HE1  TYR  26           HE1      TYR  26  -7.916   5.148 -10.893
  344    HE2  TYR  26           HE2      TYR  26  -3.896   4.279  -9.574
  345    HH   TYR  26           HH       TYR  26  -6.032   6.119 -11.802
  346    HB2  TYR  26           HB2      TYR  26  -6.672   1.258  -7.247
  347    HB3  TYR  26           HB3      TYR  26  -8.305   1.577  -7.802
  348    H    THR  27           H        THR  27  -7.203   5.152  -5.955
  349    HA   THR  27           HA       THR  27  -9.434   6.223  -7.347
  350    HB   THR  27           HB       THR  27 -10.680   5.797  -5.309
  351    HG1  THR  27           HG1      THR  27 -11.422   7.918  -5.116
  352   HG21  THR  27          HG21      THR  27  -8.809   7.738  -3.882
  353   HG22  THR  27          HG22      THR  27  -8.818   5.987  -3.629
  354   HG23  THR  27          HG23      THR  27 -10.252   6.945  -3.222
  355    HA   PRO  28           HA       PRO  28  -5.990   8.948  -7.715
  356    HB2  PRO  28           HB2      PRO  28  -6.847  10.721  -9.593
  357    HB3  PRO  28           HB3      PRO  28  -6.614   8.981  -9.960
  358    HG2  PRO  28           HG2      PRO  28  -9.200  10.399  -9.205
  359    HG3  PRO  28           HG3      PRO  28  -8.911   9.302 -10.602
  360    HD2  PRO  28           HD2      PRO  28  -9.997   8.412  -8.254
  361    HD3  PRO  28           HD3      PRO  28  -8.876   7.402  -9.219
  362    H    LYS  29           H        LYS  29  -5.165  10.987  -7.262
  363    HA   LYS  29           HA       LYS  29  -4.844  12.935  -6.182
  364    HB2  LYS  29           HB2      LYS  29  -7.742  13.487  -6.934
  365    HB3  LYS  29           HB3      LYS  29  -6.550  14.685  -6.410
  366    HG2  LYS  29           HG2      LYS  29  -5.072  14.023  -8.301
  367    HG3  LYS  29           HG3      LYS  29  -6.335  12.939  -8.898
  368    HD2  LYS  29           HD2      LYS  29  -7.871  14.901  -9.095
  369    HD3  LYS  29           HD3      LYS  29  -6.542  15.968  -8.634
  370    HE2  LYS  29           HE2      LYS  29  -6.582  14.103 -11.059
  371    HE3  LYS  29           HE3      LYS  29  -6.889  15.835 -11.112
  372    HZ1  LYS  29           HZ1      LYS  29  -4.605  16.171 -10.284
  373    HZ2  LYS  29           HZ2      LYS  29  -4.618  15.381 -11.712
  374    HZ3  LYS  29           HZ3      LYS  29  -4.310  14.555 -10.334
  375    H    THR  30           H        THR  30  -6.539  10.680  -4.674
  376    HA   THR  30           HA       THR  30  -6.912  12.009  -2.051
  377    HB   THR  30           HB       THR  30  -6.916   9.091  -2.888
  378    HG1  THR  30           HG1      THR  30  -8.628  10.478  -3.616
  379   HG21  THR  30          HG21      THR  30  -8.045   8.709  -0.691
  380   HG22  THR  30          HG22      THR  30  -7.626  10.376  -0.219
  381   HG23  THR  30          HG23      THR  30  -6.352   9.172  -0.522
  Start of MODEL   29
    1    H1   GLY   1           H1       GLY   1  -1.549  11.533  -1.880
    2    H2   GLY   1           H2       GLY   1  -3.094  11.892  -1.453
    3    H3   GLY   1           H3       GLY   1  -2.712  11.654  -3.029
    4    HA2  GLY   1           HA2      GLY   1  -2.641   9.593  -0.913
    5    HA3  GLY   1           HA3      GLY   1  -3.857   9.720  -2.201
    6    H    ILE   2           H        ILE   2  -2.874   7.337  -2.354
    7    HA   ILE   2           HA       ILE   2  -0.188   7.032  -3.147
    8    HB   ILE   2           HB       ILE   2  -1.635   5.265  -2.199
    9   HG12  ILE   2          HG12      ILE   2  -0.279   4.354  -4.762
   10   HG13  ILE   2          HG13      ILE   2   0.610   4.904  -3.337
   11   HG21  ILE   2          HG21      ILE   2  -2.688   4.858  -5.043
   12   HG22  ILE   2          HG22      ILE   2  -3.060   3.884  -3.622
   13   HG23  ILE   2          HG23      ILE   2  -3.634   5.546  -3.698
   14   HD11  ILE   2          HD11      ILE   2  -1.231   2.487  -3.467
   15   HD12  ILE   2          HD12      ILE   2   0.533   2.495  -3.335
   16   HD13  ILE   2          HD13      ILE   2  -0.445   3.106  -1.992
   17    H    VAL   3           H        VAL   3  -2.956   7.425  -5.337
   18    HA   VAL   3           HA       VAL   3  -1.513   6.861  -7.731
   19    HB   VAL   3           HB       VAL   3  -3.939   8.662  -7.439
   20   HG11  VAL   3          HG11      VAL   3  -4.404   7.990  -9.811
   21   HG12  VAL   3          HG12      VAL   3  -2.947   8.964  -9.661
   22   HG13  VAL   3          HG13      VAL   3  -2.812   7.207  -9.878
   23   HG21  VAL   3          HG21      VAL   3  -3.696   5.660  -7.880
   24   HG22  VAL   3          HG22      VAL   3  -4.455   6.480  -6.498
   25   HG23  VAL   3          HG23      VAL   3  -5.204   6.576  -8.091
   26    H    GLU   4           H        GLU   4  -1.813   9.842  -5.874
   27    HA   GLU   4           HA       GLU   4  -0.349  11.536  -7.746
   28    HB2  GLU   4           HB2      GLU   4  -1.932  12.508  -6.189
   29    HB3  GLU   4           HB3      GLU   4  -1.114  11.759  -4.820
   30    HG2  GLU   4           HG2      GLU   4   0.876  13.158  -5.219
   31    HG3  GLU   4           HG3      GLU   4   0.068  13.897  -6.614
   32    H    GLN   5           H        GLN   5   0.451   9.907  -4.601
   33    HA   GLN   5           HA       GLN   5   3.130  10.706  -4.470
   34    HB2  GLN   5           HB2      GLN   5   1.710   9.590  -2.657
   35    HB3  GLN   5           HB3      GLN   5   2.032   8.052  -3.470
   36    HG2  GLN   5           HG2      GLN   5   4.592   8.925  -3.224
   37    HG3  GLN   5           HG3      GLN   5   3.896   9.831  -1.896
   38   HE21  GLN   5          HE21      GLN   5   5.631   7.158  -2.443
   39   HE22  GLN   5          HE22      GLN   5   4.920   6.034  -1.285
   40    H    CYS   6           H        CYS   6   1.879   7.609  -5.890
   41    HA   CYS   6           HA       CYS   6   4.426   6.540  -6.593
   42    HB2  CYS   6           HB2      CYS   6   1.615   6.172  -7.698
   43    HB3  CYS   6           HB3      CYS   6   2.988   5.236  -8.250
   44    H    CYS   7           H        CYS   7   2.523   8.961  -8.240
   45    HA   CYS   7           HA       CYS   7   4.055   8.548 -10.772
   46    HB2  CYS   7           HB2      CYS   7   1.552   8.480 -10.715
   47    HB3  CYS   7           HB3      CYS   7   1.550  10.192 -10.287
   48    H    THR   8           H        THR   8   3.313  11.087  -8.389
   49    HA   THR   8           HA       THR   8   5.029  13.113  -9.640
   50    HB   THR   8           HB       THR   8   3.588  12.974  -6.953
   51    HG1  THR   8           HG1      THR   8   2.939  14.298  -9.394
   52   HG21  THR   8          HG21      THR   8   5.303  14.684  -6.785
   53   HG22  THR   8          HG22      THR   8   3.731  15.465  -6.999
   54   HG23  THR   8          HG23      THR   8   4.865  15.350  -8.367
   55    H    SER   9           H        SER   9   5.381  10.637  -7.138
   56    HA   SER   9           HA       SER   9   8.281  11.268  -6.923
   57    HG   SER   9           HG       SER   9   8.424  11.485  -3.451
   58    HB2  SER   9           HB2      SER   9   6.982  12.276  -5.001
   59    HB3  SER   9           HB3      SER   9   6.504  10.635  -4.544
   60    H    ILE  10           H        ILE  10   8.637   9.170  -4.970
   61    HA   ILE  10           HA       ILE  10   8.261   6.698  -6.632
   62    HB   ILE  10           HB       ILE  10  10.074   7.363  -4.281
   63   HG12  ILE  10          HG12      ILE  10  10.852   8.267  -6.451
   64   HG13  ILE  10          HG13      ILE  10  11.944   7.095  -5.734
   65   HG21  ILE  10          HG21      ILE  10   9.717   4.672  -5.609
   66   HG22  ILE  10          HG22      ILE  10  11.107   5.120  -4.595
   67   HG23  ILE  10          HG23      ILE  10   9.485   5.094  -3.901
   68   HD11  ILE  10          HD11      ILE  10  10.020   6.489  -8.019
   69   HD12  ILE  10          HD12      ILE  10  11.753   6.813  -8.174
   70   HD13  ILE  10          HD13      ILE  10  11.215   5.365  -7.323
   71    H    CYS  11           H        CYS  11   7.191   4.911  -5.826
   72    HA   CYS  11           HA       CYS  11   6.325   4.963  -2.996
   73    HB2  CYS  11           HB2      CYS  11   4.118   4.185  -3.438
   74    HB3  CYS  11           HB3      CYS  11   4.372   5.652  -4.361
   75    H    SER  12           H        SER  12   5.829   2.875  -2.109
   76    HA   SER  12           HA       SER  12   7.731   0.864  -3.199
   77    HG   SER  12           HG       SER  12   6.736   0.984   0.730
   78    HB2  SER  12           HB2      SER  12   8.006   0.059  -1.004
   79    HB3  SER  12           HB3      SER  12   8.056   1.821  -0.906
   80    H    LEU  13           H        LEU  13   7.321  -1.441  -2.895
   81    HA   LEU  13           HA       LEU  13   4.755  -2.344  -3.873
   82    HG   LEU  13           HG       LEU  13   7.933  -2.815  -4.548
   83    HB2  LEU  13           HB2      LEU  13   7.023  -3.856  -2.506
   84    HB3  LEU  13           HB3      LEU  13   5.703  -4.567  -3.406
   85   HD11  LEU  13          HD11      LEU  13   7.280  -5.758  -4.978
   86   HD12  LEU  13          HD12      LEU  13   8.584  -5.126  -3.946
   87   HD13  LEU  13          HD13      LEU  13   8.630  -4.862  -5.700
   88   HD21  LEU  13          HD21      LEU  13   6.993  -3.386  -6.795
   89   HD22  LEU  13          HD22      LEU  13   5.928  -2.344  -5.852
   90   HD23  LEU  13          HD23      LEU  13   5.565  -4.079  -5.992
   91    H    TYR  14           H        TYR  14   6.168  -2.052  -0.616
   92    HA   TYR  14           HA       TYR  14   4.004  -3.336   0.758
   93    HD1  TYR  14           HD2      TYR  14   4.546  -4.349   3.186
   94    HD2  TYR  14           HD1      TYR  14   4.959  -0.066   3.478
   95    HE1  TYR  14           HE2      TYR  14   3.439  -4.399   5.412
   96    HE2  TYR  14           HE1      TYR  14   3.833  -0.100   5.693
   97    HH   TYR  14           HH       TYR  14   2.853  -1.409   7.320
   98    HB2  TYR  14           HB2      TYR  14   6.219  -2.982   1.760
   99    HB3  TYR  14           HB3      TYR  14   6.000  -1.240   1.679
  100    H    GLN  15           H        GLN  15   4.447   0.011  -0.340
  101    HA   GLN  15           HA       GLN  15   2.006   1.020   0.912
  102    HB2  GLN  15           HB2      GLN  15   3.829   2.036  -1.293
  103    HB3  GLN  15           HB3      GLN  15   2.364   2.899  -0.819
  104    HG2  GLN  15           HG2      GLN  15   3.139   3.294   1.395
  105    HG3  GLN  15           HG3      GLN  15   4.455   2.138   1.255
  106   HE21  GLN  15          HE21      GLN  15   5.141   4.614   2.191
  107   HE22  GLN  15          HE22      GLN  15   6.013   5.485   0.947
  108    H    LEU  16           H        LEU  16   2.747  -0.363  -2.349
  109    HA   LEU  16           HA       LEU  16   0.024  -0.224  -3.294
  110    HG   LEU  16           HG       LEU  16   2.734   0.112  -4.703
  111    HB2  LEU  16           HB2      LEU  16   2.261  -2.214  -3.873
  112    HB3  LEU  16           HB3      LEU  16   0.734  -2.187  -4.733
  113   HD11  LEU  16          HD11      LEU  16   3.230  -0.575  -7.014
  114   HD12  LEU  16          HD12      LEU  16   2.111  -1.954  -6.859
  115   HD13  LEU  16          HD13      LEU  16   3.595  -1.880  -5.881
  116   HD21  LEU  16          HD21      LEU  16   1.420   0.999  -6.568
  117   HD22  LEU  16          HD22      LEU  16   0.413   0.903  -5.122
  118   HD23  LEU  16          HD23      LEU  16   0.240  -0.323  -6.401
  119    H    GLU  17           H        GLU  17   1.700  -2.727  -1.339
  120    HA   GLU  17           HA       GLU  17  -0.525  -4.464  -1.164
  121    HB2  GLU  17           HB2      GLU  17   1.906  -4.948  -0.583
  122    HB3  GLU  17           HB3      GLU  17   1.592  -4.187   0.989
  123    HG2  GLU  17           HG2      GLU  17  -0.299  -5.807   1.341
  124    HG3  GLU  17           HG3      GLU  17   0.095  -6.565  -0.207
  125    H    ASN  18           H        ASN  18   0.231  -1.576   0.801
  126    HA   ASN  18           HA       ASN  18  -1.789  -1.968   2.787
  127    HB2  ASN  18           HB2      ASN  18   0.124  -0.357   2.910
  128    HB3  ASN  18           HB3      ASN  18  -0.662   0.633   1.670
  129   HD21  ASN  18          HD22      ASN  18  -1.233  -0.790   4.955
  130   HD22  ASN  18          HD21      ASN  18  -2.237   0.540   5.503
  131    H    TYR  19           H        TYR  19  -2.057  -1.035  -0.570
  132    HA   TYR  19           HA       TYR  19  -4.933  -0.301  -0.301
  133    HD1  TYR  19           HD2      TYR  19  -2.147   1.755  -0.448
  134    HD2  TYR  19           HD1      TYR  19  -5.822   2.029  -2.681
  135    HE1  TYR  19           HE2      TYR  19  -2.403   4.114   0.271
  136    HE2  TYR  19           HE1      TYR  19  -6.071   4.399  -1.985
  137    HH   TYR  19           HH       TYR  19  -3.695   6.026   0.165
  138    HB2  TYR  19           HB2      TYR  19  -2.810   0.109  -2.413
  139    HB3  TYR  19           HB3      TYR  19  -4.497   0.097  -2.869
  140    H    CYS  20           H        CYS  20  -3.223  -3.142  -0.549
  141    HA   CYS  20           HA       CYS  20  -5.255  -4.541  -2.202
  142    HB2  CYS  20           HB2      CYS  20  -2.936  -5.638  -0.593
  143    HB3  CYS  20           HB3      CYS  20  -4.006  -6.576  -1.627
  144    H    ASN  21           H        ASN  21  -6.433  -6.342  -1.292
  145    HA   ASN  21           HA       ASN  21  -7.797  -5.846   1.229
  146    HB2  ASN  21           HB2      ASN  21  -8.865  -6.860  -0.775
  147    HB3  ASN  21           HB3      ASN  21  -7.717  -8.193  -0.694
  148   HD21  ASN  21          HD22      ASN  21  -9.322  -9.768  -0.524
  149   HD22  ASN  21          HD21      ASN  21 -10.301  -9.945   0.934
  150    HA   PHE   1           HA       PHE   1  14.190  -4.169  -7.856
  151    HD1  PHE   1           HD2      PHE   1  16.624  -2.986  -7.753
  152    HD2  PHE   1           HD1      PHE   1  13.612   0.101  -8.018
  153    HE1  PHE   1           HE2      PHE   1  17.843  -1.643  -6.055
  154    HE2  PHE   1           HE1      PHE   1  14.839   1.436  -6.324
  155    HZ   PHE   1           HZ       PHE   1  16.954   0.575  -5.349
  156    H1   PHE   1           H1       PHE   1  12.424  -5.200  -9.091
  157    H2   PHE   1           H2       PHE   1  13.628  -4.752 -10.106
  158    H3   PHE   1           H3       PHE   1  12.240  -3.884 -10.043
  159    HB2  PHE   1           HB2      PHE   1  14.997  -2.754  -9.744
  160    HB3  PHE   1           HB3      PHE   1  13.581  -1.724  -9.573
  161    H    VAL   2           H        VAL   2  13.627  -3.220  -5.854
  162    HA   VAL   2           HA       VAL   2  10.723  -2.977  -5.401
  163    HB   VAL   2           HB       VAL   2  13.030  -2.943  -3.422
  164   HG11  VAL   2          HG11      VAL   2  11.083  -1.756  -2.471
  165   HG12  VAL   2          HG12      VAL   2  10.011  -3.092  -2.953
  166   HG13  VAL   2          HG13      VAL   2  11.250  -3.337  -1.705
  167   HG21  VAL   2          HG21      VAL   2  12.210  -5.232  -2.844
  168   HG22  VAL   2          HG22      VAL   2  11.058  -5.147  -4.190
  169   HG23  VAL   2          HG23      VAL   2  12.805  -5.148  -4.503
  170    H    ASN   3           H        ASN   3   9.685  -1.194  -5.107
  171    HA   ASN   3           HA       ASN   3   8.988   0.834  -5.012
  172    HB2  ASN   3           HB2      ASN   3   9.862   2.538  -3.687
  173    HB3  ASN   3           HB3      ASN   3  10.184   1.019  -2.896
  174   HD21  ASN   3          HD21      ASN   3  12.170   0.985  -1.899
  175   HD22  ASN   3          HD22      ASN   3  13.573   1.878  -2.461
  176    H    GLN   4           H        GLN   4   8.574   2.480  -6.349
  177    HA   GLN   4           HA       GLN   4  10.442   3.062  -8.562
  178    HB2  GLN   4           HB2      GLN   4   7.897   1.371  -8.881
  179    HB3  GLN   4           HB3      GLN   4   8.823   2.041 -10.222
  180    HG2  GLN   4           HG2      GLN   4  10.778   0.626  -9.569
  181    HG3  GLN   4           HG3      GLN   4   9.790  -0.088  -8.282
  182   HE21  GLN   4          HE21      GLN   4   9.943  -2.217  -9.138
  183   HE22  GLN   4          HE22      GLN   4   9.057  -2.644 -10.606
  184    H    HIS   5           H        HIS   5   9.361   4.311 -10.353
  185    HA   HIS   5           HA       HIS   5   7.151   6.086  -9.473
  186    HD1  HIS   5           HD1      HIS   5   8.112   8.566  -9.191
  187    HD2  HIS   5           HD2      HIS   5  11.050   7.168 -11.849
  188    HE1  HIS   5           HE1      HIS   5  10.145  10.051  -8.847
  189    HB2  HIS   5           HB2      HIS   5   8.778   5.973 -12.049
  190    HB3  HIS   5           HB3      HIS   5   7.473   7.103 -11.725
  191    H    LEU   6           H        LEU   6   5.112   5.735 -10.174
  192    HA   LEU   6           HA       LEU   6   4.432   3.825 -12.334
  193    HG   LEU   6           HG       LEU   6   5.720   2.229 -10.128
  194    HB2  LEU   6           HB2      LEU   6   3.694   3.548  -9.394
  195    HB3  LEU   6           HB3      LEU   6   2.772   2.770 -10.669
  196   HD11  LEU   6          HD11      LEU   6   4.401   1.577  -8.206
  197   HD12  LEU   6          HD12      LEU   6   4.907   0.131  -9.093
  198   HD13  LEU   6          HD13      LEU   6   3.232   0.728  -9.239
  199   HD21  LEU   6          HD21      LEU   6   5.026   1.674 -12.455
  200   HD22  LEU   6          HD22      LEU   6   3.647   0.746 -11.821
  201   HD23  LEU   6          HD23      LEU   6   5.308   0.200 -11.516
  202    H    CYS   7           H        CYS   7   2.670   4.528 -13.445
  203    HA   CYS   7           HA       CYS   7   0.848   6.571 -12.256
  204    HB2  CYS   7           HB2      CYS   7   2.196   6.668 -14.980
  205    HB3  CYS   7           HB3      CYS   7   0.974   7.798 -14.415
  206    H    GLY   8           H        GLY   8  -1.238   6.439 -12.946
  207    HA2  GLY   8           HA2      GLY   8  -3.192   5.681 -13.939
  208    HA3  GLY   8           HA3      GLY   8  -2.206   5.735 -15.395
  209    H    SER   9           H        SER   9  -2.533   3.979 -16.580
  210    HA   SER   9           HA       SER   9  -3.649   1.531 -15.719
  211    HG   SER   9           HG       SER   9  -3.884   2.372 -19.198
  212    HB2  SER   9           HB2      SER   9  -1.849   2.004 -18.128
  213    HB3  SER   9           HB3      SER   9  -2.995   0.675 -17.903
  214    H    HIS  10           H        HIS  10  -0.189   2.448 -15.999
  215    HA   HIS  10           HA       HIS  10   0.776  -0.248 -15.479
  216    HD1  HIS  10           HD1      HIS  10   1.188  -0.488 -17.720
  217    HD2  HIS  10           HD2      HIS  10   3.244   3.195 -17.704
  218    HE1  HIS  10           HE1      HIS  10   1.688   0.068 -20.158
  219    HB2  HIS  10           HB2      HIS  10   2.138   2.468 -15.397
  220    HB3  HIS  10           HB3      HIS  10   2.967   0.914 -15.289
  221    H    LEU  11           H        LEU  11   0.034   2.554 -13.417
  222    HA   LEU  11           HA       LEU  11   0.978   1.345 -10.958
  223    HG   LEU  11           HG       LEU  11  -1.539   2.570  -9.275
  224    HB2  LEU  11           HB2      LEU  11   0.567   3.751 -11.134
  225    HB3  LEU  11           HB3      LEU  11  -1.126   3.481 -11.525
  226   HD11  LEU  11          HD11      LEU  11   0.166   2.790  -7.507
  227   HD12  LEU  11          HD12      LEU  11   1.373   3.279  -8.709
  228   HD13  LEU  11          HD13      LEU  11   0.694   1.639  -8.741
  229   HD21  LEU  11          HD21      LEU  11  -1.820   4.976  -9.727
  230   HD22  LEU  11          HD22      LEU  11  -0.126   5.272  -9.263
  231   HD23  LEU  11          HD23      LEU  11  -1.297   4.684  -8.060
  232    H    VAL  12           H        VAL  12  -2.194   1.378 -12.606
  233    HA   VAL  12           HA       VAL  12  -3.531  -0.311 -10.731
  234    HB   VAL  12           HB       VAL  12  -4.051   0.194 -13.677
  235   HG11  VAL  12          HG11      VAL  12  -5.822  -1.330 -11.729
  236   HG12  VAL  12          HG12      VAL  12  -6.312  -0.757 -13.335
  237   HG13  VAL  12          HG13      VAL  12  -5.063  -1.993 -13.196
  238   HG21  VAL  12          HG21      VAL  12  -5.515   1.109 -11.159
  239   HG22  VAL  12          HG22      VAL  12  -4.375   2.108 -12.079
  240   HG23  VAL  12          HG23      VAL  12  -5.887   1.585 -12.829
  241    H    GLU  13           H        GLU  13  -1.610  -1.231 -13.637
  242    HA   GLU  13           HA       GLU  13  -1.921  -4.061 -13.389
  243    HB2  GLU  13           HB2      GLU  13   0.258  -2.277 -14.538
  244    HB3  GLU  13           HB3      GLU  13   0.378  -4.027 -14.558
  245    HG2  GLU  13           HG2      GLU  13  -1.675  -4.221 -15.860
  246    HG3  GLU  13           HG3      GLU  13  -1.914  -2.481 -15.821
  247    H    ALA  14           H        ALA  14   0.644  -1.881 -12.027
  248    HA   ALA  14           HA       ALA  14   2.102  -3.929 -10.700
  249    HB1  ALA  14           HB1      ALA  14   3.077  -2.047  -9.432
  250    HB2  ALA  14           HB2      ALA  14   2.948  -1.637 -11.147
  251    HB3  ALA  14           HB3      ALA  14   1.774  -0.977  -9.986
  252    H    LEU  15           H        LEU  15  -0.581  -1.884  -9.452
  253    HA   LEU  15           HA       LEU  15  -0.710  -2.971  -6.837
  254    HG   LEU  15           HG       LEU  15  -3.878  -3.011  -6.645
  255    HB2  LEU  15           HB2      LEU  15  -1.880  -0.912  -7.605
  256    HB3  LEU  15           HB3      LEU  15  -2.911  -1.889  -8.647
  257   HD11  LEU  15          HD11      LEU  15  -2.168  -1.036  -5.059
  258   HD12  LEU  15          HD12      LEU  15  -2.007  -2.800  -5.039
  259   HD13  LEU  15          HD13      LEU  15  -3.462  -2.047  -4.388
  260   HD21  LEU  15          HD21      LEU  15  -4.914  -0.986  -7.631
  261   HD22  LEU  15          HD22      LEU  15  -3.964   0.025  -6.521
  262   HD23  LEU  15          HD23      LEU  15  -5.183  -1.093  -5.885
  263    H    TYR  16           H        TYR  16  -2.551  -4.003  -9.780
  264    HA   TYR  16           HA       TYR  16  -3.849  -6.234  -8.615
  265    HD1  TYR  16           HD2      TYR  16  -5.077  -4.285  -9.155
  266    HD2  TYR  16           HD1      TYR  16  -5.009  -6.119 -13.064
  267    HE1  TYR  16           HE2      TYR  16  -7.097  -3.021  -9.789
  268    HE2  TYR  16           HE1      TYR  16  -7.060  -4.857 -13.686
  269    HH   TYR  16           HH       TYR  16  -8.670  -2.602 -11.406
  270    HB2  TYR  16           HB2      TYR  16  -2.856  -5.805 -11.455
  271    HB3  TYR  16           HB3      TYR  16  -3.865  -7.144 -10.968
  272    H    LEU  17           H        LEU  17  -0.586  -6.069 -10.039
  273    HA   LEU  17           HA       LEU  17  -0.015  -8.884  -9.701
  274    HG   LEU  17           HG       LEU  17   0.251  -7.301 -12.116
  275    HB2  LEU  17           HB2      LEU  17   1.735  -6.439 -10.179
  276    HB3  LEU  17           HB3      LEU  17   2.397  -8.063 -10.082
  277   HD11  LEU  17          HD11      LEU  17   2.290  -5.946 -12.473
  278   HD12  LEU  17          HD12      LEU  17   2.080  -7.148 -13.752
  279   HD13  LEU  17          HD13      LEU  17   3.279  -7.425 -12.469
  280   HD21  LEU  17          HD21      LEU  17   0.382  -9.719 -11.692
  281   HD22  LEU  17          HD22      LEU  17   2.144  -9.687 -11.922
  282   HD23  LEU  17          HD23      LEU  17   1.051  -9.349 -13.279
  283    H    VAL  18           H        VAL  18   0.575  -6.096  -7.605
  284    HA   VAL  18           HA       VAL  18   2.016  -7.627  -5.588
  285    HB   VAL  18           HB       VAL  18   0.600  -4.945  -5.459
  286   HG11  VAL  18          HG11      VAL  18   1.729  -4.597  -3.263
  287   HG12  VAL  18          HG12      VAL  18   0.478  -5.831  -3.173
  288   HG13  VAL  18          HG13      VAL  18   2.190  -6.311  -3.243
  289   HG21  VAL  18          HG21      VAL  18   2.927  -4.100  -5.278
  290   HG22  VAL  18          HG22      VAL  18   3.547  -5.760  -5.310
  291   HG23  VAL  18          HG23      VAL  18   2.771  -5.081  -6.746
  292    H    CYS  19           H        CYS  19  -1.445  -6.773  -6.027
  293    HA   CYS  19           HA       CYS  19  -2.243  -8.039  -3.549
  294    HB2  CYS  19           HB2      CYS  19  -3.982  -7.382  -5.946
  295    HB3  CYS  19           HB3      CYS  19  -4.513  -7.701  -4.301
  296    H    GLY  20           H        GLY  20  -2.074  -9.221  -6.901
  297    HA2  GLY  20           HA2      GLY  20  -2.392 -11.332  -7.813
  298    HA3  GLY  20           HA3      GLY  20  -2.099 -11.997  -6.195
  299    H    GLU  21           H        GLU  21  -3.686 -13.373  -5.764
  300    HA   GLU  21           HA       GLU  21  -6.406 -13.117  -6.755
  301    HB2  GLU  21           HB2      GLU  21  -5.120 -15.051  -4.784
  302    HB3  GLU  21           HB3      GLU  21  -6.769 -15.189  -5.403
  303    HG2  GLU  21           HG2      GLU  21  -5.878 -15.323  -7.728
  304    HG3  GLU  21           HG3      GLU  21  -4.231 -15.286  -7.084
  305    H    ARG  22           H        ARG  22  -4.907 -11.657  -4.037
  306    HA   ARG  22           HA       ARG  22  -6.926 -11.954  -2.042
  307    HE   ARG  22           HE       ARG  22  -4.286  -9.409   0.381
  308    HB2  ARG  22           HB2      ARG  22  -4.879  -9.741  -2.459
  309    HB3  ARG  22           HB3      ARG  22  -5.857  -9.942  -1.015
  310    HG2  ARG  22           HG2      ARG  22  -4.809 -11.980  -0.393
  311    HG3  ARG  22           HG3      ARG  22  -4.070 -12.199  -1.982
  312    HD2  ARG  22           HD2      ARG  22  -2.407 -11.510  -0.331
  313    HD3  ARG  22           HD3      ARG  22  -2.567 -10.331  -1.639
  314   HH11  ARG  22          HH11      ARG  22  -0.792 -10.010   0.182
  315   HH12  ARG  22          HH12      ARG  22  -0.428  -8.760   1.347
  316   HH21  ARG  22          HH21      ARG  22  -3.808  -7.907   1.766
  317   HH22  ARG  22          HH22      ARG  22  -2.151  -7.537   2.254
  318    H    GLY  23           H        GLY  23  -6.616  -9.632  -4.676
  319    HA2  GLY  23           HA2      GLY  23  -8.346  -8.239  -5.556
  320    HA3  GLY  23           HA3      GLY  23  -9.223  -8.311  -4.021
  321    H    PHE  24           H        PHE  24  -8.748  -5.973  -5.411
  322    HA   PHE  24           HA       PHE  24  -6.691  -4.476  -3.849
  323    HD1  PHE  24           HD2      PHE  24  -8.118  -5.895  -7.624
  324    HD2  PHE  24           HD1      PHE  24  -7.875  -1.680  -6.729
  325    HE1  PHE  24           HE2      PHE  24  -9.884  -5.428  -9.308
  326    HE2  PHE  24           HE1      PHE  24  -9.644  -1.223  -8.403
  327    HZ   PHE  24           HZ       PHE  24 -10.659  -3.095  -9.686
  328    HB2  PHE  24           HB2      PHE  24  -6.244  -3.221  -5.814
  329    HB3  PHE  24           HB3      PHE  24  -6.193  -4.905  -6.291
  330    H    PHE  25           H        PHE  25  -7.056  -2.154  -3.694
  331    HA   PHE  25           HA       PHE  25  -9.772  -1.119  -4.288
  332    HD1  PHE  25           HD2      PHE  25 -11.704   0.029  -2.853
  333    HD2  PHE  25           HD1      PHE  25  -8.002   1.734  -1.434
  334    HE1  PHE  25           HE2      PHE  25 -12.785   2.255  -2.699
  335    HE2  PHE  25           HE1      PHE  25  -9.091   3.959  -1.275
  336    HZ   PHE  25           HZ       PHE  25 -11.482   4.225  -1.923
  337    HB2  PHE  25           HB2      PHE  25  -9.735  -1.386  -1.856
  338    HB3  PHE  25           HB3      PHE  25  -8.157  -0.606  -1.756
  339    H    TYR  26           H        TYR  26  -9.703   0.840  -5.346
  340    HA   TYR  26           HA       TYR  26  -7.200   2.377  -5.558
  341    HD1  TYR  26           HD1      TYR  26  -4.903   1.954  -7.423
  342    HD2  TYR  26           HD2      TYR  26  -8.592   2.873  -9.451
  343    HE1  TYR  26           HE1      TYR  26  -3.683   3.496  -8.940
  344    HE2  TYR  26           HE2      TYR  26  -7.379   4.439 -10.954
  345    HH   TYR  26           HH       TYR  26  -5.350   5.353 -11.515
  346    HB2  TYR  26           HB2      TYR  26  -6.900   0.531  -7.168
  347    HB3  TYR  26           HB3      TYR  26  -8.419   0.940  -7.947
  348    H    THR  27           H        THR  27  -7.502   4.453  -6.043
  349    HA   THR  27           HA       THR  27  -9.501   5.583  -7.687
  350    HB   THR  27           HB       THR  27 -11.065   5.127  -5.877
  351    HG1  THR  27           HG1      THR  27 -11.803   7.235  -5.738
  352   HG21  THR  27          HG21      THR  27 -10.940   6.201  -3.704
  353   HG22  THR  27          HG22      THR  27  -9.404   6.986  -4.115
  354   HG23  THR  27          HG23      THR  27  -9.484   5.221  -3.917
  355    HA   PRO  28           HA       PRO  28  -6.215   8.649  -7.271
  356    HB2  PRO  28           HB2      PRO  28  -7.133  10.637  -8.908
  357    HB3  PRO  28           HB3      PRO  28  -6.512   9.080  -9.535
  358    HG2  PRO  28           HG2      PRO  28  -9.399   9.878  -9.071
  359    HG3  PRO  28           HG3      PRO  28  -8.684   9.106 -10.516
  360    HD2  PRO  28           HD2      PRO  28  -9.956   7.672  -8.576
  361    HD3  PRO  28           HD3      PRO  28  -8.546   7.014  -9.450
  362    H    LYS  29           H        LYS  29  -5.813  10.253  -5.820
  363    HA   LYS  29           HA       LYS  29  -7.798  12.128  -4.857
  364    HB2  LYS  29           HB2      LYS  29  -8.012  11.305  -2.586
  365    HB3  LYS  29           HB3      LYS  29  -8.611  10.103  -3.724
  366    HG2  LYS  29           HG2      LYS  29  -6.376   8.901  -3.522
  367    HG3  LYS  29           HG3      LYS  29  -5.940  10.046  -2.251
  368    HD2  LYS  29           HD2      LYS  29  -8.312   8.137  -2.189
  369    HD3  LYS  29           HD3      LYS  29  -6.769   7.887  -1.364
  370    HE2  LYS  29           HE2      LYS  29  -7.143   9.994  -0.047
  371    HE3  LYS  29           HE3      LYS  29  -8.725  10.173  -0.822
  372    HZ1  LYS  29           HZ1      LYS  29  -9.380   8.049   0.161
  373    HZ2  LYS  29           HZ2      LYS  29  -8.916   9.094   1.329
  374    HZ3  LYS  29           HZ3      LYS  29  -7.916   7.884   0.881
  375    H    THR  30           H        THR  30  -7.019  13.737  -3.544
  376    HA   THR  30           HA       THR  30  -4.068  14.036  -3.288
  377    HB   THR  30           HB       THR  30  -4.662  16.402  -2.686
  378    HG1  THR  30           HG1      THR  30  -6.832  15.956  -2.141
  379   HG21  THR  30          HG21      THR  30  -3.948  15.740  -4.966
  380   HG22  THR  30          HG22      THR  30  -5.100  17.078  -4.990
  381   HG23  THR  30          HG23      THR  30  -5.642  15.437  -5.416
  Start of MODEL   30
    1    H1   GLY   1           H1       GLY   1  -4.442  11.317  -3.221
    2    H2   GLY   1           H2       GLY   1  -3.991  10.705  -1.770
    3    H3   GLY   1           H3       GLY   1  -5.574  11.016  -2.071
    4    HA2  GLY   1           HA2      GLY   1  -5.218   8.656  -2.208
    5    HA3  GLY   1           HA3      GLY   1  -5.636   9.315  -3.802
    6    H    ILE   2           H        ILE   2  -4.254   6.879  -3.436
    7    HA   ILE   2           HA       ILE   2  -1.485   7.040  -3.086
    8    HB   ILE   2           HB       ILE   2  -1.351   4.766  -3.894
    9   HG12  ILE   2          HG12      ILE   2  -4.258   5.003  -4.789
   10   HG13  ILE   2          HG13      ILE   2  -2.869   4.934  -5.874
   11   HG21  ILE   2          HG21      ILE   2  -2.244   5.322  -1.627
   12   HG22  ILE   2          HG22      ILE   2  -3.893   5.181  -2.259
   13   HG23  ILE   2          HG23      ILE   2  -2.824   3.781  -2.233
   14   HD11  ILE   2          HD11      ILE   2  -3.885   2.752  -5.757
   15   HD12  ILE   2          HD12      ILE   2  -2.276   2.691  -5.020
   16   HD13  ILE   2          HD13      ILE   2  -3.733   2.708  -3.999
   17    H    VAL   3           H        VAL   3  -3.151   7.433  -6.146
   18    HA   VAL   3           HA       VAL   3  -0.891   7.144  -7.861
   19    HB   VAL   3           HB       VAL   3  -3.159   9.094  -8.374
   20   HG11  VAL   3          HG11      VAL   3  -1.336   9.203 -10.035
   21   HG12  VAL   3          HG12      VAL   3  -1.401   7.442 -10.246
   22   HG13  VAL   3          HG13      VAL   3  -2.764   8.453 -10.759
   23   HG21  VAL   3          HG21      VAL   3  -3.179   6.087  -8.857
   24   HG22  VAL   3          HG22      VAL   3  -4.221   6.967  -7.743
   25   HG23  VAL   3          HG23      VAL   3  -4.381   7.242  -9.476
   26    H    GLU   4           H        GLU   4  -1.972   9.892  -5.889
   27    HA   GLU   4           HA       GLU   4  -0.048  11.780  -7.032
   28    HB2  GLU   4           HB2      GLU   4  -1.903  11.993  -4.627
   29    HB3  GLU   4           HB3      GLU   4  -0.952  13.314  -5.293
   30    HG2  GLU   4           HG2      GLU   4  -3.163  11.834  -6.777
   31    HG3  GLU   4           HG3      GLU   4  -3.322  13.396  -5.990
   32    H    GLN   5           H        GLN   5   0.527   9.149  -5.210
   33    HA   GLN   5           HA       GLN   5   2.987  10.443  -4.122
   34    HB2  GLN   5           HB2      GLN   5   1.218   9.094  -2.572
   35    HB3  GLN   5           HB3      GLN   5   2.078   7.701  -3.205
   36    HG2  GLN   5           HG2      GLN   5   3.201  10.057  -1.630
   37    HG3  GLN   5           HG3      GLN   5   2.976   8.395  -1.080
   38   HE21  GLN   5          HE21      GLN   5   4.290   6.709  -2.624
   39   HE22  GLN   5          HE22      GLN   5   5.925   7.251  -3.013
   40    H    CYS   6           H        CYS   6   1.682   7.368  -5.548
   41    HA   CYS   6           HA       CYS   6   4.234   6.333  -6.250
   42    HB2  CYS   6           HB2      CYS   6   1.382   5.747  -7.068
   43    HB3  CYS   6           HB3      CYS   6   2.712   4.928  -7.872
   44    H    CYS   7           H        CYS   7   2.235   8.526  -8.113
   45    HA   CYS   7           HA       CYS   7   3.841   8.005 -10.572
   46    HB2  CYS   7           HB2      CYS   7   1.375   8.203 -10.679
   47    HB3  CYS   7           HB3      CYS   7   1.489   9.868 -10.105
   48    H    THR   8           H        THR   8   3.172  10.671  -8.321
   49    HA   THR   8           HA       THR   8   4.821  12.681  -9.571
   50    HB   THR   8           HB       THR   8   4.447  13.822  -7.322
   51    HG1  THR   8           HG1      THR   8   2.919  12.707  -5.980
   52   HG21  THR   8          HG21      THR   8   2.862  14.138  -9.224
   53   HG22  THR   8          HG22      THR   8   2.038  14.170  -7.655
   54   HG23  THR   8          HG23      THR   8   1.933  12.724  -8.681
   55    H    SER   9           H        SER   9   5.376  10.341  -6.953
   56    HA   SER   9           HA       SER   9   8.307  10.927  -7.012
   57    HG   SER   9           HG       SER   9   7.326  12.493  -3.982
   58    HB2  SER   9           HB2      SER   9   6.467  10.471  -4.639
   59    HB3  SER   9           HB3      SER   9   8.235  10.440  -4.536
   60    H    ILE  10           H        ILE  10   9.205   8.942  -5.410
   61    HA   ILE  10           HA       ILE  10   8.699   6.447  -6.893
   62    HB   ILE  10           HB       ILE  10  10.483   7.162  -4.544
   63   HG12  ILE  10          HG12      ILE  10  11.213   8.130  -6.701
   64   HG13  ILE  10          HG13      ILE  10  12.357   6.990  -6.013
   65   HG21  ILE  10          HG21      ILE  10  10.251   4.481  -5.927
   66   HG22  ILE  10          HG22      ILE  10  11.604   4.970  -4.875
   67   HG23  ILE  10          HG23      ILE  10   9.975   4.853  -4.213
   68   HD11  ILE  10          HD11      ILE  10  12.161   6.745  -8.456
   69   HD12  ILE  10          HD12      ILE  10  11.666   5.258  -7.629
   70   HD13  ILE  10          HD13      ILE  10  10.440   6.364  -8.291
   71    H    CYS  11           H        CYS  11   7.569   4.681  -6.210
   72    HA   CYS  11           HA       CYS  11   7.061   4.432  -3.321
   73    HB2  CYS  11           HB2      CYS  11   4.813   3.767  -3.455
   74    HB3  CYS  11           HB3      CYS  11   4.938   5.271  -4.346
   75    H    SER  12           H        SER  12   6.625   2.254  -2.639
   76    HA   SER  12           HA       SER  12   8.297   0.295  -4.179
   77    HG   SER  12           HG       SER  12   9.254  -1.218  -1.172
   78    HB2  SER  12           HB2      SER  12   9.042   0.891  -1.928
   79    HB3  SER  12           HB3      SER  12   7.485   0.335  -1.264
   80    H    LEU  13           H        LEU  13   7.753  -1.945  -4.041
   81    HA   LEU  13           HA       LEU  13   4.966  -2.612  -4.698
   82    HG   LEU  13           HG       LEU  13   7.916  -3.225  -6.118
   83    HB2  LEU  13           HB2      LEU  13   7.373  -4.367  -4.062
   84    HB3  LEU  13           HB3      LEU  13   5.831  -4.912  -4.673
   85   HD11  LEU  13          HD11      LEU  13   7.956  -5.153  -7.675
   86   HD12  LEU  13          HD12      LEU  13   6.696  -5.960  -6.719
   87   HD13  LEU  13          HD13      LEU  13   8.302  -5.669  -6.016
   88   HD21  LEU  13          HD21      LEU  13   6.466  -3.259  -8.118
   89   HD22  LEU  13          HD22      LEU  13   5.751  -2.307  -6.814
   90   HD23  LEU  13          HD23      LEU  13   5.146  -3.950  -7.153
   91    H    TYR  14           H        TYR  14   6.999  -2.724  -1.790
   92    HA   TYR  14           HA       TYR  14   5.114  -4.121  -0.144
   93    HD1  TYR  14           HD2      TYR  14   6.338  -5.748   0.695
   94    HD2  TYR  14           HD1      TYR  14   9.492  -2.803   0.587
   95    HE1  TYR  14           HE2      TYR  14   8.025  -7.560   0.581
   96    HE2  TYR  14           HE1      TYR  14  11.182  -4.619   0.509
   97    HH   TYR  14           HH       TYR  14  11.557  -6.890   0.454
   98    HB2  TYR  14           HB2      TYR  14   7.260  -2.066   0.527
   99    HB3  TYR  14           HB3      TYR  14   6.389  -2.997   1.722
  100    H    GLN  15           H        GLN  15   5.221  -0.787  -1.205
  101    HA   GLN  15           HA       GLN  15   3.109   0.108   0.675
  102    HB2  GLN  15           HB2      GLN  15   4.398   1.475  -1.728
  103    HB3  GLN  15           HB3      GLN  15   3.151   2.187  -0.717
  104    HG2  GLN  15           HG2      GLN  15   4.580   2.095   1.256
  105    HG3  GLN  15           HG3      GLN  15   5.852   1.256   0.356
  106   HE21  GLN  15          HE21      GLN  15   4.712   4.398   1.264
  107   HE22  GLN  15          HE22      GLN  15   5.741   5.281   0.147
  108    H    LEU  16           H        LEU  16   3.367  -0.835  -2.825
  109    HA   LEU  16           HA       LEU  16   0.559  -0.662  -3.350
  110    HG   LEU  16           HG       LEU  16   3.413  -0.583  -5.090
  111    HB2  LEU  16           HB2      LEU  16   2.508  -2.724  -4.436
  112    HB3  LEU  16           HB3      LEU  16   0.928  -2.329  -5.093
  113   HD11  LEU  16          HD11      LEU  16   1.709  -1.666  -7.363
  114   HD12  LEU  16          HD12      LEU  16   3.226  -2.390  -6.793
  115   HD13  LEU  16          HD13      LEU  16   3.233  -0.765  -7.498
  116   HD21  LEU  16          HD21      LEU  16   2.099   1.105  -6.320
  117   HD22  LEU  16          HD22      LEU  16   1.530   0.921  -4.666
  118   HD23  LEU  16          HD23      LEU  16   0.609   0.191  -6.008
  119    H    GLU  17           H        GLU  17   2.403  -3.316  -1.774
  120    HA   GLU  17           HA       GLU  17   0.149  -4.988  -1.447
  121    HB2  GLU  17           HB2      GLU  17   2.500  -5.707  -1.225
  122    HB3  GLU  17           HB3      GLU  17   2.585  -4.897   0.354
  123    HG2  GLU  17           HG2      GLU  17   0.909  -6.374   1.286
  124    HG3  GLU  17           HG3      GLU  17   0.447  -6.954  -0.317
  125    H    ASN  18           H        ASN  18   1.193  -2.218   0.530
  126    HA   ASN  18           HA       ASN  18  -0.688  -2.665   2.682
  127    HB2  ASN  18           HB2      ASN  18   1.358  -1.268   2.876
  128    HB3  ASN  18           HB3      ASN  18   0.667  -0.111   1.739
  129   HD21  ASN  18          HD21      ASN  18  -0.577   1.554   2.589
  130   HD22  ASN  18          HD22      ASN  18  -1.178   1.559   4.242
  131    H    TYR  19           H        TYR  19  -1.013  -1.363  -0.571
  132    HA   TYR  19           HA       TYR  19  -3.607  -0.086  -0.053
  133    HD1  TYR  19           HD1      TYR  19  -2.214   1.674   0.354
  134    HD2  TYR  19           HD2      TYR  19  -0.831   1.147  -3.695
  135    HE1  TYR  19           HE1      TYR  19  -0.575   3.513   0.673
  136    HE2  TYR  19           HE2      TYR  19   0.808   2.979  -3.384
  137    HH   TYR  19           HH       TYR  19   1.671   4.542  -1.931
  138    HB2  TYR  19           HB2      TYR  19  -2.144  -0.562  -2.653
  139    HB3  TYR  19           HB3      TYR  19  -3.487   0.521  -2.383
  140    H    CYS  20           H        CYS  20  -2.650  -3.295  -0.590
  141    HA   CYS  20           HA       CYS  20  -4.912  -4.263  -2.108
  142    HB2  CYS  20           HB2      CYS  20  -3.279  -5.706  -0.006
  143    HB3  CYS  20           HB3      CYS  20  -4.334  -6.445  -1.211
  144    H    ASN  21           H        ASN  21  -6.719  -5.485  -1.300
  145    HA   ASN  21           HA       ASN  21  -8.060  -4.202   0.979
  146    HB2  ASN  21           HB2      ASN  21  -8.951  -6.325  -1.022
  147    HB3  ASN  21           HB3      ASN  21  -9.975  -5.671   0.242
  148   HD21  ASN  21          HD21      ASN  21 -10.714  -5.543  -2.441
  149   HD22  ASN  21          HD22      ASN  21 -10.666  -3.853  -2.942
  150    HA   PHE   1           HA       PHE   1  13.493  -5.328  -3.670
  151    HD1  PHE   1           HD2      PHE   1  11.298  -1.865  -2.664
  152    HD2  PHE   1           HD1      PHE   1  14.036  -3.568   0.217
  153    HE1  PHE   1           HE2      PHE   1  11.425   0.311  -1.479
  154    HE2  PHE   1           HE1      PHE   1  14.121  -1.394   1.407
  155    HZ   PHE   1           HZ       PHE   1  12.828   0.548   0.556
  156    H1   PHE   1           H1       PHE   1  15.132  -3.169  -2.532
  157    H2   PHE   1           H2       PHE   1  15.614  -4.243  -3.673
  158    H3   PHE   1           H3       PHE   1  15.268  -4.761  -2.157
  159    HB2  PHE   1           HB2      PHE   1  11.606  -4.373  -2.400
  160    HB3  PHE   1           HB3      PHE   1  12.868  -5.000  -1.362
  161    H    VAL   2           H        VAL   2  11.727  -4.593  -5.074
  162    HA   VAL   2           HA       VAL   2  12.638  -2.517  -6.887
  163    HB   VAL   2           HB       VAL   2  10.089  -4.145  -6.858
  164   HG11  VAL   2          HG11      VAL   2   9.636  -2.098  -8.131
  165   HG12  VAL   2          HG12      VAL   2  11.147  -2.300  -9.040
  166   HG13  VAL   2          HG13      VAL   2   9.816  -3.461  -9.239
  167   HG21  VAL   2          HG21      VAL   2  11.149  -5.384  -8.720
  168   HG22  VAL   2          HG22      VAL   2  12.620  -4.405  -8.540
  169   HG23  VAL   2          HG23      VAL   2  12.111  -5.512  -7.244
  170    H    ASN   3           H        ASN   3  12.114  -0.494  -6.985
  171    HA   ASN   3           HA       ASN   3   9.633   0.605  -5.934
  172    HB2  ASN   3           HB2      ASN   3  10.662   2.256  -4.484
  173    HB3  ASN   3           HB3      ASN   3  11.015   0.636  -3.927
  174   HD21  ASN   3          HD21      ASN   3  13.305  -0.265  -4.493
  175   HD22  ASN   3          HD22      ASN   3  14.578   0.933  -4.567
  176    H    GLN   4           H        GLN   4   8.965   2.365  -7.050
  177    HA   GLN   4           HA       GLN   4  10.637   3.399  -9.277
  178    HB2  GLN   4           HB2      GLN   4   8.206   1.561  -9.620
  179    HB3  GLN   4           HB3      GLN   4   9.014   2.420 -10.934
  180    HG2  GLN   4           HG2      GLN   4  11.109   1.104 -10.398
  181    HG3  GLN   4           HG3      GLN   4  10.147   0.139  -9.270
  182   HE21  GLN   4          HE21      GLN   4   8.075  -0.923 -10.266
  183   HE22  GLN   4          HE22      GLN   4   8.266  -1.509 -11.904
  184    H    HIS   5           H        HIS   5   9.351   4.788 -10.779
  185    HA   HIS   5           HA       HIS   5   7.033   6.204  -9.543
  186    HD1  HIS   5           HD1      HIS   5   7.071   9.573 -10.372
  187    HD2  HIS   5           HD2      HIS   5  10.731   7.499 -10.534
  188    HE1  HIS   5           HE1      HIS   5   8.843  11.147  -9.417
  189    HB2  HIS   5           HB2      HIS   5   8.620   6.627 -12.111
  190    HB3  HIS   5           HB3      HIS   5   7.073   7.393 -11.796
  191    H    LEU   6           H        LEU   6   5.016   5.590 -10.085
  192    HA   LEU   6           HA       LEU   6   4.461   3.859 -12.446
  193    HG   LEU   6           HG       LEU   6   5.948   2.271 -10.385
  194    HB2  LEU   6           HB2      LEU   6   3.833   3.341  -9.518
  195    HB3  LEU   6           HB3      LEU   6   2.948   2.548 -10.825
  196   HD11  LEU   6          HD11      LEU   6   5.398   0.043  -9.487
  197   HD12  LEU   6          HD12      LEU   6   3.660   0.399  -9.646
  198   HD13  LEU   6          HD13      LEU   6   4.663   1.325  -8.506
  199   HD21  LEU   6          HD21      LEU   6   5.707   0.318 -11.919
  200   HD22  LEU   6          HD22      LEU   6   5.284   1.827 -12.738
  201   HD23  LEU   6          HD23      LEU   6   3.999   0.741 -12.175
  202    H    CYS   7           H        CYS   7   2.733   4.586 -13.526
  203    HA   CYS   7           HA       CYS   7   0.827   6.487 -12.231
  204    HB2  CYS   7           HB2      CYS   7   2.154   6.691 -14.964
  205    HB3  CYS   7           HB3      CYS   7   0.962   7.810 -14.333
  206    H    GLY   8           H        GLY   8  -1.246   6.356 -12.891
  207    HA2  GLY   8           HA2      GLY   8  -3.196   5.638 -13.931
  208    HA3  GLY   8           HA3      GLY   8  -2.195   5.641 -15.380
  209    H    SER   9           H        SER   9  -2.539   3.857 -16.506
  210    HA   SER   9           HA       SER   9  -3.656   1.418 -15.504
  211    HG   SER   9           HG       SER   9  -2.289   2.203 -19.274
  212    HB2  SER   9           HB2      SER   9  -3.065   0.592 -17.805
  213    HB3  SER   9           HB3      SER   9  -4.050   2.066 -17.759
  214    H    HIS  10           H        HIS  10  -0.279   2.448 -15.992
  215    HA   HIS  10           HA       HIS  10   0.877  -0.188 -15.625
  216    HD1  HIS  10           HD1      HIS  10   2.426   4.006 -17.211
  217    HD2  HIS  10           HD2      HIS  10   1.761  -0.065 -18.026
  218    HE1  HIS  10           HE1      HIS  10   2.356   3.789 -19.746
  219    HB2  HIS  10           HB2      HIS  10   2.128   2.535 -15.093
  220    HB3  HIS  10           HB3      HIS  10   2.965   1.013 -15.389
  221    H    LEU  11           H        LEU  11   0.108   2.497 -13.376
  222    HA   LEU  11           HA       LEU  11   1.066   1.146 -11.009
  223    HG   LEU  11           HG       LEU  11  -1.320   2.438  -9.157
  224    HB2  LEU  11           HB2      LEU  11   0.730   3.572 -11.099
  225    HB3  LEU  11           HB3      LEU  11  -0.987   3.366 -11.402
  226   HD11  LEU  11          HD11      LEU  11   1.655   2.907  -8.706
  227   HD12  LEU  11          HD12      LEU  11   0.840   1.328  -8.727
  228   HD13  LEU  11          HD13      LEU  11   0.459   2.500  -7.458
  229   HD21  LEU  11          HD21      LEU  11   0.308   5.020  -9.087
  230   HD22  LEU  11          HD22      LEU  11  -0.926   4.512  -7.911
  231   HD23  LEU  11          HD23      LEU  11  -1.384   4.900  -9.578
  232    H    VAL  12           H        VAL  12  -2.186   1.363 -12.518
  233    HA   VAL  12           HA       VAL  12  -3.514  -0.316 -10.651
  234    HB   VAL  12           HB       VAL  12  -4.082   0.145 -13.596
  235   HG11  VAL  12          HG11      VAL  12  -6.379  -0.753 -13.160
  236   HG12  VAL  12          HG12      VAL  12  -5.146  -2.006 -13.050
  237   HG13  VAL  12          HG13      VAL  12  -5.838  -1.309 -11.564
  238   HG21  VAL  12          HG21      VAL  12  -4.366   2.112 -12.091
  239   HG22  VAL  12          HG22      VAL  12  -5.902   1.572 -12.769
  240   HG23  VAL  12          HG23      VAL  12  -5.483   1.165 -11.092
  241    H    GLU  13           H        GLU  13  -1.763  -1.261 -13.634
  242    HA   GLU  13           HA       GLU  13  -2.241  -4.059 -13.417
  243    HB2  GLU  13           HB2      GLU  13  -1.416  -2.854 -15.434
  244    HB3  GLU  13           HB3      GLU  13   0.152  -2.619 -14.655
  245    HG2  GLU  13           HG2      GLU  13   0.498  -5.052 -14.562
  246    HG3  GLU  13           HG3      GLU  13  -1.127  -5.335 -15.198
  247    H    ALA  14           H        ALA  14   0.541  -2.080 -12.231
  248    HA   ALA  14           HA       ALA  14   2.007  -4.256 -11.083
  249    HB1  ALA  14           HB1      ALA  14   2.957  -2.015 -11.556
  250    HB2  ALA  14           HB2      ALA  14   1.926  -1.302 -10.306
  251    HB3  ALA  14           HB3      ALA  14   3.198  -2.458  -9.853
  252    H    LEU  15           H        LEU  15  -0.369  -2.037  -9.593
  253    HA   LEU  15           HA       LEU  15  -0.362  -3.132  -6.977
  254    HG   LEU  15           HG       LEU  15  -3.575  -2.603  -6.604
  255    HB2  LEU  15           HB2      LEU  15  -1.258  -0.941  -7.647
  256    HB3  LEU  15           HB3      LEU  15  -2.520  -1.721  -8.603
  257   HD11  LEU  15          HD11      LEU  15  -2.851  -1.956  -4.346
  258   HD12  LEU  15          HD12      LEU  15  -1.403  -1.181  -5.019
  259   HD13  LEU  15          HD13      LEU  15  -1.612  -2.937  -5.132
  260   HD21  LEU  15          HD21      LEU  15  -2.892   0.367  -6.388
  261   HD22  LEU  15          HD22      LEU  15  -4.292  -0.415  -5.646
  262   HD23  LEU  15          HD23      LEU  15  -4.161  -0.335  -7.415
  263    H    TYR  16           H        TYR  16  -2.554  -3.899  -9.737
  264    HA   TYR  16           HA       TYR  16  -3.984  -6.005  -8.514
  265    HD1  TYR  16           HD1      TYR  16  -6.064  -7.132  -9.586
  266    HD2  TYR  16           HD2      TYR  16  -3.058  -7.485 -12.661
  267    HE1  TYR  16           HE1      TYR  16  -7.022  -9.317 -10.266
  268    HE2  TYR  16           HE2      TYR  16  -4.013  -9.676 -13.342
  269    HH   TYR  16           HH       TYR  16  -6.883 -11.108 -11.714
  270    HB2  TYR  16           HB2      TYR  16  -4.680  -5.070 -10.629
  271    HB3  TYR  16           HB3      TYR  16  -3.165  -5.520 -11.395
  272    H    LEU  17           H        LEU  17  -0.846  -6.173 -10.226
  273    HA   LEU  17           HA       LEU  17  -0.634  -9.060  -9.927
  274    HG   LEU  17           HG       LEU  17  -0.439  -7.433 -12.411
  275    HB2  LEU  17           HB2      LEU  17   1.371  -6.903 -10.699
  276    HB3  LEU  17           HB3      LEU  17   1.772  -8.616 -10.675
  277   HD11  LEU  17          HD11      LEU  17   1.799  -6.569 -13.047
  278   HD12  LEU  17          HD12      LEU  17   1.163  -7.677 -14.273
  279   HD13  LEU  17          HD13      LEU  17   2.416  -8.235 -13.137
  280   HD21  LEU  17          HD21      LEU  17  -0.822  -9.805 -11.978
  281   HD22  LEU  17          HD22      LEU  17   0.858 -10.185 -12.412
  282   HD23  LEU  17          HD23      LEU  17  -0.268  -9.580 -13.642
  283    H    VAL  18           H        VAL  18   0.523  -6.381  -7.961
  284    HA   VAL  18           HA       VAL  18   2.025  -8.054  -6.116
  285    HB   VAL  18           HB       VAL  18   0.831  -5.278  -5.845
  286   HG11  VAL  18          HG11      VAL  18   0.761  -6.156  -3.574
  287   HG12  VAL  18          HG12      VAL  18   2.407  -6.824  -3.740
  288   HG13  VAL  18          HG13      VAL  18   2.137  -5.073  -3.721
  289   HG21  VAL  18          HG21      VAL  18   3.715  -6.313  -5.882
  290   HG22  VAL  18          HG22      VAL  18   2.892  -5.585  -7.268
  291   HG23  VAL  18          HG23      VAL  18   3.213  -4.614  -5.827
  292    H    CYS  19           H        CYS  19  -1.361  -6.848  -6.118
  293    HA   CYS  19           HA       CYS  19  -1.958  -8.124  -3.579
  294    HB2  CYS  19           HB2      CYS  19  -3.811  -6.942  -5.675
  295    HB3  CYS  19           HB3      CYS  19  -4.274  -7.421  -4.040
  296    H    GLY  20           H        GLY  20  -2.460  -9.124  -6.950
  297    HA2  GLY  20           HA2      GLY  20  -3.149 -11.145  -7.865
  298    HA3  GLY  20           HA3      GLY  20  -2.812 -11.902  -6.296
  299    H    GLU  21           H        GLU  21  -4.559 -13.046  -5.796
  300    HA   GLU  21           HA       GLU  21  -7.250 -12.491  -6.536
  301    HB2  GLU  21           HB2      GLU  21  -6.194 -14.703  -5.993
  302    HB3  GLU  21           HB3      GLU  21  -6.220 -14.261  -4.282
  303    HG2  GLU  21           HG2      GLU  21  -8.683 -14.193  -4.323
  304    HG3  GLU  21           HG3      GLU  21  -8.686 -14.443  -6.073
  305    H    ARG  22           H        ARG  22  -5.374 -11.189  -3.890
  306    HA   ARG  22           HA       ARG  22  -7.407 -10.819  -1.946
  307    HE   ARG  22           HE       ARG  22  -2.573 -10.282  -2.262
  308    HB2  ARG  22           HB2      ARG  22  -4.871  -9.198  -2.441
  309    HB3  ARG  22           HB3      ARG  22  -5.870  -9.108  -0.992
  310    HG2  ARG  22           HG2      ARG  22  -5.471 -11.462  -0.481
  311    HG3  ARG  22           HG3      ARG  22  -4.491 -11.674  -1.927
  312    HD2  ARG  22           HD2      ARG  22  -3.785  -9.683   0.262
  313    HD3  ARG  22           HD3      ARG  22  -3.247 -11.365   0.262
  314   HH11  ARG  22          HH11      ARG  22  -1.531  -9.886   1.133
  315   HH12  ARG  22          HH12      ARG  22   0.110  -9.513   0.620
  316   HH21  ARG  22          HH21      ARG  22  -0.342  -9.730  -2.721
  317   HH22  ARG  22          HH22      ARG  22   0.702  -9.408  -1.346
  318    H    GLY  23           H        GLY  23  -6.662  -8.865  -4.793
  319    HA2  GLY  23           HA2      GLY  23  -7.797  -7.040  -5.731
  320    HA3  GLY  23           HA3      GLY  23  -8.999  -7.129  -4.437
  321    H    PHE  24           H        PHE  24  -8.489  -4.670  -5.033
  322    HA   PHE  24           HA       PHE  24  -6.754  -3.537  -2.934
  323    HD1  PHE  24           HD2      PHE  24  -6.734  -0.913  -6.226
  324    HD2  PHE  24           HD1      PHE  24  -5.942  -5.109  -6.835
  325    HE1  PHE  24           HE2      PHE  24  -7.335  -0.683  -8.621
  326    HE2  PHE  24           HE1      PHE  24  -6.559  -4.868  -9.223
  327    HZ   PHE  24           HZ       PHE  24  -7.256  -2.661 -10.122
  328    HB2  PHE  24           HB2      PHE  24  -5.430  -2.266  -4.560
  329    HB3  PHE  24           HB3      PHE  24  -5.223  -3.989  -4.789
  330    H    PHE  25           H        PHE  25  -6.734  -1.212  -2.877
  331    HA   PHE  25           HA       PHE  25  -9.195   0.137  -3.923
  332    HD1  PHE  25           HD1      PHE  25 -11.000   1.475  -2.573
  333    HD2  PHE  25           HD2      PHE  25  -7.196   3.087  -1.338
  334    HE1  PHE  25           HE1      PHE  25 -11.983   3.758  -2.519
  335    HE2  PHE  25           HE2      PHE  25  -8.181   5.362  -1.280
  336    HZ   PHE  25           HZ       PHE  25 -10.577   5.703  -1.875
  337    HB2  PHE  25           HB2      PHE  25  -9.092   0.051  -1.459
  338    HB3  PHE  25           HB3      PHE  25  -7.472   0.735  -1.477
  339    H    TYR  26           H        TYR  26  -8.918   2.096  -4.979
  340    HA   TYR  26           HA       TYR  26  -6.249   3.194  -5.530
  341    HD1  TYR  26           HD2      TYR  26  -8.161   3.842  -9.080
  342    HD2  TYR  26           HD1      TYR  26  -4.332   2.205  -7.975
  343    HE1  TYR  26           HE2      TYR  26  -7.080   5.137 -10.910
  344    HE2  TYR  26           HE1      TYR  26  -3.259   3.476  -9.812
  345    HH   TYR  26           HH       TYR  26  -3.555   4.909 -11.568
  346    HB2  TYR  26           HB2      TYR  26  -6.348   1.287  -7.055
  347    HB3  TYR  26           HB3      TYR  26  -7.931   1.774  -7.638
  348    H    THR  27           H        THR  27  -6.309   5.293  -6.005
  349    HA   THR  27           HA       THR  27  -8.205   6.705  -7.508
  350    HB   THR  27           HB       THR  27  -9.779   6.427  -5.660
  351    HG1  THR  27           HG1      THR  27 -10.297   8.561  -5.578
  352   HG21  THR  27          HG21      THR  27  -9.447   7.451  -3.489
  353   HG22  THR  27          HG22      THR  27  -7.831   8.023  -3.941
  354   HG23  THR  27          HG23      THR  27  -8.144   6.282  -3.762
  355    HA   PRO  28           HA       PRO  28  -4.775   9.646  -6.894
  356    HB2  PRO  28           HB2      PRO  28  -5.645  11.763  -8.372
  357    HB3  PRO  28           HB3      PRO  28  -5.060  10.251  -9.137
  358    HG2  PRO  28           HG2      PRO  28  -7.931  11.065  -8.606
  359    HG3  PRO  28           HG3      PRO  28  -7.218  10.416 -10.118
  360    HD2  PRO  28           HD2      PRO  28  -8.532   8.841  -8.305
  361    HD3  PRO  28           HD3      PRO  28  -7.142   8.228  -9.244
  362    H    LYS  29           H        LYS  29  -8.220  10.442  -6.311
  363    HA   LYS  29           HA       LYS  29  -7.621  12.094  -3.970
  364    HB2  LYS  29           HB2      LYS  29  -7.029  13.589  -5.834
  365    HB3  LYS  29           HB3      LYS  29  -8.609  13.387  -6.556
  366    HG2  LYS  29           HG2      LYS  29  -8.335  14.439  -3.712
  367    HG3  LYS  29           HG3      LYS  29  -7.944  15.488  -5.065
  368    HD2  LYS  29           HD2      LYS  29 -10.670  14.184  -4.673
  369    HD3  LYS  29           HD3      LYS  29 -10.231  15.825  -4.214
  370    HE2  LYS  29           HE2      LYS  29  -9.657  16.343  -6.578
  371    HE3  LYS  29           HE3      LYS  29 -10.160  14.717  -7.055
  372    HZ1  LYS  29           HZ1      LYS  29 -11.933  16.756  -5.821
  373    HZ2  LYS  29           HZ2      LYS  29 -12.402  15.249  -6.250
  374    HZ3  LYS  29           HZ3      LYS  29 -11.935  16.320  -7.394
  375    H    THR  30           H        THR  30  -9.307  12.195  -2.610
  376    HA   THR  30           HA       THR  30 -12.095  12.062  -3.314
  377    HB   THR  30           HB       THR  30 -11.451   9.655  -3.567
  378    HG1  THR  30           HG1      THR  30 -13.270  10.525  -1.601
  379   HG21  THR  30          HG21      THR  30 -11.040   9.688  -0.552
  380   HG22  THR  30          HG22      THR  30  -9.757   9.477  -1.765
  381   HG23  THR  30          HG23      THR  30 -11.056   8.273  -1.614
  Start of MODEL   31
    1    H1   GLY   1           H1       GLY   1  -0.523  10.302  -1.370
    2    H2   GLY   1           H2       GLY   1  -2.098   9.973  -1.023
    3    H3   GLY   1           H3       GLY   1  -1.687  10.578  -2.500
    4    HA2  GLY   1           HA2      GLY   1  -0.508   8.631  -3.090
    5    HA3  GLY   1           HA3      GLY   1  -0.791   7.961  -1.469
    6    H    ILE   2           H        ILE   2  -3.377   6.538  -3.784
    7    HA   ILE   2           HA       ILE   2  -0.372   6.758  -3.871
    8    HB   ILE   2           HB       ILE   2  -0.488   4.535  -4.974
    9   HG12  ILE   2          HG12      ILE   2  -3.439   4.542  -4.162
   10   HG13  ILE   2          HG13      ILE   2  -2.810   4.566  -5.815
   11   HG21  ILE   2          HG21      ILE   2   0.020   4.931  -2.584
   12   HG22  ILE   2          HG22      ILE   2  -1.703   4.760  -2.202
   13   HG23  ILE   2          HG23      ILE   2  -0.776   3.382  -2.830
   14   HD11  ILE   2          HD11      ILE   2  -3.482   2.329  -5.292
   15   HD12  ILE   2          HD12      ILE   2  -1.701   2.344  -5.362
   16   HD13  ILE   2          HD13      ILE   2  -2.539   2.303  -3.800
   17    H    VAL   3           H        VAL   3  -3.113   7.002  -6.095
   18    HA   VAL   3           HA       VAL   3  -1.685   6.468  -8.438
   19    HB   VAL   3           HB       VAL   3  -4.123   8.282  -8.272
   20   HG11  VAL   3          HG11      VAL   3  -3.187   8.265 -10.547
   21   HG12  VAL   3          HG12      VAL   3  -3.107   6.483 -10.522
   22   HG13  VAL   3          HG13      VAL   3  -4.673   7.321 -10.516
   23   HG21  VAL   3          HG21      VAL   3  -4.611   6.217  -7.041
   24   HG22  VAL   3          HG22      VAL   3  -5.473   6.221  -8.569
   25   HG23  VAL   3          HG23      VAL   3  -4.004   5.237  -8.393
   26    H    GLU   4           H        GLU   4  -1.898   9.515  -6.719
   27    HA   GLU   4           HA       GLU   4  -0.657  11.098  -8.912
   28    HB2  GLU   4           HB2      GLU   4  -0.788  12.827  -6.837
   29    HB3  GLU   4           HB3      GLU   4  -2.045  12.589  -8.035
   30    HG2  GLU   4           HG2      GLU   4  -3.021  12.787  -5.859
   31    HG3  GLU   4           HG3      GLU   4  -3.343  11.193  -6.517
   32    H    GLN   5           H        GLN   5   0.008  10.029  -5.571
   33    HA   GLN   5           HA       GLN   5   2.557  11.328  -5.355
   34    HB2  GLN   5           HB2      GLN   5   1.077  10.723  -3.498
   35    HB3  GLN   5           HB3      GLN   5   1.317   8.998  -3.834
   36    HG2  GLN   5           HG2      GLN   5   3.671   9.151  -3.224
   37    HG3  GLN   5           HG3      GLN   5   3.546  10.907  -3.024
   38   HE21  GLN   5          HE21      GLN   5   4.555   9.579  -0.866
   39   HE22  GLN   5          HE22      GLN   5   3.325   9.438   0.384
   40    H    CYS   6           H        CYS   6   1.709   7.904  -6.146
   41    HA   CYS   6           HA       CYS   6   4.484   7.053  -6.293
   42    HB2  CYS   6           HB2      CYS   6   1.885   5.849  -7.333
   43    HB3  CYS   6           HB3      CYS   6   3.429   5.032  -7.256
   44    H    CYS   7           H        CYS   7   2.430   8.647  -8.457
   45    HA   CYS   7           HA       CYS   7   3.983   8.020 -10.890
   46    HB2  CYS   7           HB2      CYS   7   1.522   8.360 -10.927
   47    HB3  CYS   7           HB3      CYS   7   1.737  10.013 -10.380
   48    H    THR   8           H        THR   8   3.386  10.941  -8.873
   49    HA   THR   8           HA       THR   8   5.347  12.560 -10.289
   50    HB   THR   8           HB       THR   8   4.926  14.207  -8.457
   51    HG1  THR   8           HG1      THR   8   2.886  12.422  -7.632
   52   HG21  THR   8          HG21      THR   8   3.562  14.228 -10.502
   53   HG22  THR   8          HG22      THR   8   2.597  14.677  -9.086
   54   HG23  THR   8          HG23      THR   8   2.431  13.053  -9.793
   55    H    SER   9           H        SER   9   5.379  10.939  -7.130
   56    HA   SER   9           HA       SER   9   8.382  11.132  -7.066
   57    HG   SER   9           HG       SER   9   6.501  12.710  -5.367
   58    HB2  SER   9           HB2      SER   9   6.443  10.449  -4.820
   59    HB3  SER   9           HB3      SER   9   8.202  10.523  -4.704
   60    H    ILE  10           H        ILE  10   8.687   8.790  -5.437
   61    HA   ILE  10           HA       ILE  10   7.790   6.614  -7.285
   62    HB   ILE  10           HB       ILE  10   9.786   5.379  -6.700
   63   HG12  ILE  10          HG12      ILE  10  10.706   7.845  -5.162
   64   HG13  ILE  10          HG13      ILE  10  10.313   6.259  -4.486
   65   HG21  ILE  10          HG21      ILE  10  10.552   8.116  -7.778
   66   HG22  ILE  10          HG22      ILE  10  11.299   6.541  -8.156
   67   HG23  ILE  10          HG23      ILE  10   9.658   6.883  -8.688
   68   HD11  ILE  10          HD11      ILE  10  12.694   6.462  -4.581
   69   HD12  ILE  10          HD12      ILE  10  12.227   5.288  -5.821
   70   HD13  ILE  10          HD13      ILE  10  12.677   6.946  -6.283
   71    H    CYS  11           H        CYS  11   7.185   4.640  -6.404
   72    HA   CYS  11           HA       CYS  11   6.854   4.478  -3.443
   73    HB2  CYS  11           HB2      CYS  11   4.853   3.792  -5.608
   74    HB3  CYS  11           HB3      CYS  11   4.718   3.206  -3.970
   75    H    SER  12           H        SER  12   6.622   2.331  -2.659
   76    HA   SER  12           HA       SER  12   8.176   0.320  -4.214
   77    HG   SER  12           HG       SER  12   7.707   0.130  -0.168
   78    HB2  SER  12           HB2      SER  12   8.691  -0.712  -2.154
   79    HB3  SER  12           HB3      SER  12   8.855   1.021  -1.870
   80    H    LEU  13           H        LEU  13   7.590  -1.971  -4.016
   81    HA   LEU  13           HA       LEU  13   4.846  -2.582  -4.650
   82    HG   LEU  13           HG       LEU  13   7.905  -3.339  -5.728
   83    HB2  LEU  13           HB2      LEU  13   7.114  -4.385  -3.684
   84    HB3  LEU  13           HB3      LEU  13   5.629  -4.913  -4.447
   85   HD11  LEU  13          HD11      LEU  13   8.129  -5.342  -7.143
   86   HD12  LEU  13          HD12      LEU  13   6.780  -6.117  -6.284
   87   HD13  LEU  13          HD13      LEU  13   8.293  -5.752  -5.426
   88   HD21  LEU  13          HD21      LEU  13   6.682  -3.488  -7.865
   89   HD22  LEU  13          HD22      LEU  13   5.829  -2.470  -6.711
   90   HD23  LEU  13          HD23      LEU  13   5.262  -4.126  -7.024
   91    H    TYR  14           H        TYR  14   6.668  -2.620  -1.609
   92    HA   TYR  14           HA       TYR  14   4.613  -3.854  -0.019
   93    HD1  TYR  14           HD2      TYR  14   5.532  -5.131   2.250
   94    HD2  TYR  14           HD1      TYR  14   6.129  -0.881   2.715
   95    HE1  TYR  14           HE2      TYR  14   4.801  -5.294   4.621
   96    HE2  TYR  14           HE1      TYR  14   5.394  -1.035   5.087
   97    HH   TYR  14           HH       TYR  14   4.400  -4.153   6.580
   98    HB2  TYR  14           HB2      TYR  14   6.953  -3.753   0.645
   99    HB3  TYR  14           HB3      TYR  14   6.899  -1.998   0.733
  100    H    GLN  15           H        GLN  15   5.197  -0.497  -0.974
  101    HA   GLN  15           HA       GLN  15   3.037   0.611   0.675
  102    HB2  GLN  15           HB2      GLN  15   4.648   1.677  -1.667
  103    HB3  GLN  15           HB3      GLN  15   3.349   2.601  -0.905
  104    HG2  GLN  15           HG2      GLN  15   4.452   2.617   1.228
  105    HG3  GLN  15           HG3      GLN  15   5.707   1.501   0.690
  106   HE21  GLN  15          HE21      GLN  15   5.974   4.323   1.760
  107   HE22  GLN  15          HE22      GLN  15   6.865   5.151   0.493
  108    H    LEU  16           H        LEU  16   3.240  -0.602  -2.711
  109    HA   LEU  16           HA       LEU  16   0.431  -0.136  -3.267
  110    HG   LEU  16           HG       LEU  16   2.982   0.110  -5.045
  111    HB2  LEU  16           HB2      LEU  16   2.400  -2.207  -4.325
  112    HB3  LEU  16           HB3      LEU  16   0.781  -2.004  -4.953
  113   HD11  LEU  16          HD11      LEU  16   3.396  -1.819  -6.518
  114   HD12  LEU  16          HD12      LEU  16   2.971  -0.389  -7.457
  115   HD13  LEU  16          HD13      LEU  16   1.766  -1.669  -7.205
  116   HD21  LEU  16          HD21      LEU  16   1.470   1.334  -6.579
  117   HD22  LEU  16          HD22      LEU  16   0.775   1.215  -4.965
  118   HD23  LEU  16          HD23      LEU  16   0.183   0.153  -6.267
  119    H    GLU  17           H        GLU  17   2.137  -2.903  -1.735
  120    HA   GLU  17           HA       GLU  17  -0.141  -4.515  -1.495
  121    HB2  GLU  17           HB2      GLU  17   2.167  -5.305  -1.200
  122    HB3  GLU  17           HB3      GLU  17   2.258  -4.492   0.370
  123    HG2  GLU  17           HG2      GLU  17   0.543  -5.930   1.292
  124    HG3  GLU  17           HG3      GLU  17   0.119  -6.534  -0.315
  125    H    ASN  18           H        ASN  18   0.869  -1.833   0.620
  126    HA   ASN  18           HA       ASN  18  -0.934  -2.263   2.764
  127    HB2  ASN  18           HB2      ASN  18   0.984  -0.662   2.706
  128    HB3  ASN  18           HB3      ASN  18   0.072   0.361   1.588
  129   HD21  ASN  18          HD21      ASN  18  -0.150  -1.148   4.872
  130   HD22  ASN  18          HD22      ASN  18  -1.068   0.177   5.562
  131    H    TYR  19           H        TYR  19  -1.601  -1.288  -0.508
  132    HA   TYR  19           HA       TYR  19  -4.357  -0.371   0.123
  133    HD1  TYR  19           HD2      TYR  19  -1.404   1.471  -0.200
  134    HD2  TYR  19           HD1      TYR  19  -5.293   2.241  -1.901
  135    HE1  TYR  19           HE2      TYR  19  -1.379   3.756   0.773
  136    HE2  TYR  19           HE1      TYR  19  -5.250   4.539  -0.967
  137    HH   TYR  19           HH       TYR  19  -4.088   6.069   0.284
  138    HB2  TYR  19           HB2      TYR  19  -2.457   0.066  -2.189
  139    HB3  TYR  19           HB3      TYR  19  -4.175   0.230  -2.428
  140    H    CYS  20           H        CYS  20  -2.999  -3.347  -0.404
  141    HA   CYS  20           HA       CYS  20  -4.984  -4.469  -2.212
  142    HB2  CYS  20           HB2      CYS  20  -3.412  -5.826  -0.010
  143    HB3  CYS  20           HB3      CYS  20  -4.371  -6.631  -1.258
  144    H    ASN  21           H        ASN  21  -6.793  -5.704  -1.696
  145    HA   ASN  21           HA       ASN  21  -8.477  -4.681   0.475
  146    HB2  ASN  21           HB2      ASN  21  -9.566  -4.902  -1.613
  147    HB3  ASN  21           HB3      ASN  21  -8.851  -6.476  -1.928
  148   HD21  ASN  21          HD21      ASN  21  -9.882  -8.318  -1.295
  149   HD22  ASN  21          HD22      ASN  21 -11.437  -8.303  -0.453
  150    HA   PHE   1           HA       PHE   1  11.741  -4.636  -2.126
  151    HD1  PHE   1           HD2      PHE   1   9.143  -5.756  -1.556
  152    HD2  PHE   1           HD1      PHE   1  10.221  -2.828   1.437
  153    HE1  PHE   1           HE2      PHE   1   8.264  -7.241   0.222
  154    HE2  PHE   1           HE1      PHE   1   9.336  -4.325   3.206
  155    HZ   PHE   1           HZ       PHE   1   8.353  -6.526   2.609
  156    H1   PHE   1           H1       PHE   1  12.458  -4.141   0.115
  157    H2   PHE   1           H2       PHE   1  12.766  -2.580  -0.288
  158    H3   PHE   1           H3       PHE   1  13.640  -3.788  -0.963
  159    HB2  PHE   1           HB2      PHE   1  10.270  -2.250  -0.924
  160    HB3  PHE   1           HB3      PHE   1   9.627  -3.346  -2.131
  161    H    VAL   2           H        VAL   2  11.466  -3.983  -4.310
  162    HA   VAL   2           HA       VAL   2  13.090  -1.776  -5.230
  163    HB   VAL   2           HB       VAL   2  12.750  -3.827  -6.553
  164   HG11  VAL   2          HG11      VAL   2  10.769  -4.219  -7.892
  165   HG12  VAL   2          HG12      VAL   2  10.316  -4.188  -6.184
  166   HG13  VAL   2          HG13      VAL   2   9.966  -2.789  -7.228
  167   HG21  VAL   2          HG21      VAL   2  13.533  -1.720  -7.606
  168   HG22  VAL   2          HG22      VAL   2  12.666  -2.776  -8.735
  169   HG23  VAL   2          HG23      VAL   2  11.858  -1.344  -8.068
  170    H    ASN   3           H        ASN   3  12.522   0.203  -6.028
  171    HA   ASN   3           HA       ASN   3   9.727   1.162  -5.618
  172    HB2  ASN   3           HB2      ASN   3  12.365   2.575  -5.082
  173    HB3  ASN   3           HB3      ASN   3  10.844   3.444  -5.300
  174   HD21  ASN   3          HD21      ASN   3  12.149   0.714  -3.263
  175   HD22  ASN   3          HD22      ASN   3  11.293   1.256  -1.840
  176    H    GLN   4           H        GLN   4   8.841   2.504  -7.156
  177    HA   GLN   4           HA       GLN   4  10.340   3.064  -9.677
  178    HB2  GLN   4           HB2      GLN   4   7.788   1.399  -9.433
  179    HB3  GLN   4           HB3      GLN   4   8.429   2.029 -10.952
  180    HG2  GLN   4           HG2      GLN   4  10.516   0.675 -10.583
  181    HG3  GLN   4           HG3      GLN   4   9.778  -0.024  -9.136
  182   HE21  GLN   4          HE21      GLN   4   9.249   0.320 -12.716
  183   HE22  GLN   4          HE22      GLN   4   8.361  -1.196 -12.833
  184    H    HIS   5           H        HIS   5   9.234   4.540 -11.096
  185    HA   HIS   5           HA       HIS   5   7.078   6.243  -9.953
  186    HD1  HIS   5           HD1      HIS   5   7.390   9.278 -10.519
  187    HD2  HIS   5           HD2      HIS   5  10.896   7.271 -11.696
  188    HE1  HIS   5           HE1      HIS   5   9.329  10.807  -9.906
  189    HB2  HIS   5           HB2      HIS   5   8.596   6.263 -12.596
  190    HB3  HIS   5           HB3      HIS   5   7.166   7.235 -12.302
  191    H    LEU   6           H        LEU   6   5.016   5.631 -10.246
  192    HA   LEU   6           HA       LEU   6   4.221   3.803 -12.476
  193    HG   LEU   6           HG       LEU   6   5.814   2.429 -10.282
  194    HB2  LEU   6           HB2      LEU   6   3.690   3.527  -9.488
  195    HB3  LEU   6           HB3      LEU   6   2.799   2.625 -10.720
  196   HD11  LEU   6          HD11      LEU   6   4.550   1.600  -8.335
  197   HD12  LEU   6          HD12      LEU   6   5.313   0.272  -9.218
  198   HD13  LEU   6          HD13      LEU   6   3.571   0.578  -9.410
  199   HD21  LEU   6          HD21      LEU   6   5.149   1.790 -12.590
  200   HD22  LEU   6          HD22      LEU   6   3.896   0.715 -11.939
  201   HD23  LEU   6          HD23      LEU   6   5.614   0.366 -11.654
  202    H    CYS   7           H        CYS   7   2.591   4.648 -13.576
  203    HA   CYS   7           HA       CYS   7   0.750   6.639 -12.303
  204    HB2  CYS   7           HB2      CYS   7   1.923   6.660 -15.108
  205    HB3  CYS   7           HB3      CYS   7   0.855   7.877 -14.428
  206    H    GLY   8           H        GLY   8  -1.348   6.397 -12.779
  207    HA2  GLY   8           HA2      GLY   8  -3.364   5.597 -13.649
  208    HA3  GLY   8           HA3      GLY   8  -2.504   5.734 -15.176
  209    H    SER   9           H        SER   9  -2.620   3.992 -16.390
  210    HA   SER   9           HA       SER   9  -3.640   1.455 -15.542
  211    HG   SER   9           HG       SER   9  -2.228   2.465 -19.234
  212    HB2  SER   9           HB2      SER   9  -2.979   0.763 -17.860
  213    HB3  SER   9           HB3      SER   9  -4.012   2.206 -17.774
  214    H    HIS  10           H        HIS  10  -0.294   2.642 -15.876
  215    HA   HIS  10           HA       HIS  10   0.938   0.010 -15.619
  216    HD1  HIS  10           HD1      HIS  10   3.118   0.220 -17.761
  217    HD2  HIS  10           HD2      HIS  10   1.453   4.058 -17.276
  218    HE1  HIS  10           HE1      HIS  10   3.058   1.272 -20.078
  219    HB2  HIS  10           HB2      HIS  10   2.077   2.771 -15.042
  220    HB3  HIS  10           HB3      HIS  10   2.998   1.285 -15.195
  221    H    LEU  11           H        LEU  11  -0.051   2.560 -13.304
  222    HA   LEU  11           HA       LEU  11   0.935   1.137 -10.968
  223    HG   LEU  11           HG       LEU  11   0.129   1.889  -8.890
  224    HB2  LEU  11           HB2      LEU  11   0.558   3.576 -11.008
  225    HB3  LEU  11           HB3      LEU  11  -1.173   3.342 -11.182
  226   HD11  LEU  11          HD11      LEU  11  -0.137   4.922  -8.915
  227   HD12  LEU  11          HD12      LEU  11   1.358   3.984  -8.762
  228   HD13  LEU  11          HD13      LEU  11   0.157   3.927  -7.464
  229   HD21  LEU  11          HD21      LEU  11  -2.370   3.625  -9.071
  230   HD22  LEU  11          HD22      LEU  11  -1.886   2.615  -7.689
  231   HD23  LEU  11          HD23      LEU  11  -2.332   1.847  -9.209
  232    H    VAL  12           H        VAL  12  -2.278   1.331 -12.560
  233    HA   VAL  12           HA       VAL  12  -3.635  -0.493 -10.872
  234    HB   VAL  12           HB       VAL  12  -3.968  -0.053 -13.863
  235   HG11  VAL  12          HG11      VAL  12  -6.211  -1.132 -13.642
  236   HG12  VAL  12          HG12      VAL  12  -4.888  -2.284 -13.445
  237   HG13  VAL  12          HG13      VAL  12  -5.762  -1.684 -12.016
  238   HG21  VAL  12          HG21      VAL  12  -5.946   1.218 -13.224
  239   HG22  VAL  12          HG22      VAL  12  -5.705   0.803 -11.516
  240   HG23  VAL  12          HG23      VAL  12  -4.553   1.859 -12.349
  241    H    GLU  13           H        GLU  13  -1.619  -1.271 -13.753
  242    HA   GLU  13           HA       GLU  13  -1.912  -4.086 -13.597
  243    HB2  GLU  13           HB2      GLU  13  -0.974  -2.695 -15.514
  244    HB3  GLU  13           HB3      GLU  13   0.516  -2.542 -14.593
  245    HG2  GLU  13           HG2      GLU  13   0.888  -4.288 -16.127
  246    HG3  GLU  13           HG3      GLU  13   0.661  -5.088 -14.582
  247    H    ALA  14           H        ALA  14   0.619  -1.952 -12.150
  248    HA   ALA  14           HA       ALA  14   2.134  -4.057 -10.931
  249    HB1  ALA  14           HB1      ALA  14   2.981  -1.764 -11.337
  250    HB2  ALA  14           HB2      ALA  14   1.838  -1.125 -10.134
  251    HB3  ALA  14           HB3      ALA  14   3.148  -2.219  -9.632
  252    H    LEU  15           H        LEU  15  -0.455  -1.986  -9.571
  253    HA   LEU  15           HA       LEU  15  -0.503  -3.086  -6.961
  254    HG   LEU  15           HG       LEU  15  -3.675  -2.678  -6.576
  255    HB2  LEU  15           HB2      LEU  15  -1.473  -0.926  -7.719
  256    HB3  LEU  15           HB3      LEU  15  -2.695  -1.795  -8.644
  257   HD11  LEU  15          HD11      LEU  15  -1.592  -1.006  -5.099
  258   HD12  LEU  15          HD12      LEU  15  -1.717  -2.781  -5.084
  259   HD13  LEU  15          HD13      LEU  15  -2.992  -1.799  -4.360
  260   HD21  LEU  15          HD21      LEU  15  -3.220   0.347  -6.591
  261   HD22  LEU  15          HD22      LEU  15  -4.545  -0.479  -5.747
  262   HD23  LEU  15          HD23      LEU  15  -4.446  -0.529  -7.519
  263    H    TYR  16           H        TYR  16  -2.454  -3.976  -9.857
  264    HA   TYR  16           HA       TYR  16  -3.877  -6.143  -8.695
  265    HD1  TYR  16           HD2      TYR  16  -5.878  -7.292  -9.873
  266    HD2  TYR  16           HD1      TYR  16  -2.676  -7.619 -12.754
  267    HE1  TYR  16           HE2      TYR  16  -6.729  -9.513 -10.560
  268    HE2  TYR  16           HE1      TYR  16  -3.531  -9.853 -13.440
  269    HH   TYR  16           HH       TYR  16  -6.447 -11.324 -11.946
  270    HB2  TYR  16           HB2      TYR  16  -4.476  -5.214 -10.864
  271    HB3  TYR  16           HB3      TYR  16  -2.904  -5.636 -11.529
  272    H    LEU  17           H        LEU  17  -0.648  -6.149 -10.250
  273    HA   LEU  17           HA       LEU  17  -0.289  -9.015  -9.906
  274    HG   LEU  17           HG       LEU  17  -0.064  -7.434 -12.403
  275    HB2  LEU  17           HB2      LEU  17   1.607  -6.737 -10.604
  276    HB3  LEU  17           HB3      LEU  17   2.132  -8.417 -10.520
  277   HD11  LEU  17          HD11      LEU  17   2.877  -8.046 -12.964
  278   HD12  LEU  17          HD12      LEU  17   2.145  -6.426 -12.933
  279   HD13  LEU  17          HD13      LEU  17   1.645  -7.597 -14.164
  280   HD21  LEU  17          HD21      LEU  17  -0.290  -9.825 -11.936
  281   HD22  LEU  17          HD22      LEU  17   1.439 -10.086 -12.250
  282   HD23  LEU  17          HD23      LEU  17   0.347  -9.595 -13.563
  283    H    VAL  18           H        VAL  18   0.644  -6.242  -7.939
  284    HA   VAL  18           HA       VAL  18   2.160  -7.730  -5.974
  285    HB   VAL  18           HB       VAL  18   0.690  -5.074  -5.891
  286   HG11  VAL  18          HG11      VAL  18   0.531  -5.880  -3.584
  287   HG12  VAL  18          HG12      VAL  18   2.256  -6.327  -3.589
  288   HG13  VAL  18          HG13      VAL  18   1.754  -4.630  -3.696
  289   HG21  VAL  18          HG21      VAL  18   2.969  -4.165  -5.750
  290   HG22  VAL  18          HG22      VAL  18   3.651  -5.809  -5.631
  291   HG23  VAL  18          HG23      VAL  18   2.889  -5.263  -7.130
  292    H    CYS  19           H        CYS  19  -1.316  -6.808  -6.152
  293    HA   CYS  19           HA       CYS  19  -1.887  -8.128  -3.618
  294    HB2  CYS  19           HB2      CYS  19  -3.743  -6.956  -5.711
  295    HB3  CYS  19           HB3      CYS  19  -4.211  -7.498  -4.097
  296    H    GLY  20           H        GLY  20  -2.234  -9.120  -7.003
  297    HA2  GLY  20           HA2      GLY  20  -2.783 -11.169  -7.947
  298    HA3  GLY  20           HA3      GLY  20  -2.542 -11.912  -6.349
  299    H    GLU  21           H        GLU  21  -4.300 -13.143  -6.082
  300    HA   GLU  21           HA       GLU  21  -6.955 -12.505  -6.964
  301    HB2  GLU  21           HB2      GLU  21  -5.947 -14.570  -4.972
  302    HB3  GLU  21           HB3      GLU  21  -7.600 -14.495  -5.592
  303    HG2  GLU  21           HG2      GLU  21  -6.729 -14.772  -7.921
  304    HG3  GLU  21           HG3      GLU  21  -5.097 -14.970  -7.267
  305    H    ARG  22           H        ARG  22  -5.277 -11.316  -4.195
  306    HA   ARG  22           HA       ARG  22  -7.406 -11.156  -2.293
  307    HE   ARG  22           HE       ARG  22  -2.595 -10.376  -2.357
  308    HB2  ARG  22           HB2      ARG  22  -4.920  -9.419  -2.660
  309    HB3  ARG  22           HB3      ARG  22  -5.988  -9.363  -1.260
  310    HG2  ARG  22           HG2      ARG  22  -5.516 -11.703  -0.727
  311    HG3  ARG  22           HG3      ARG  22  -4.455 -11.854  -2.129
  312    HD2  ARG  22           HD2      ARG  22  -3.986  -9.831   0.098
  313    HD3  ARG  22           HD3      ARG  22  -3.328 -11.474   0.124
  314   HH11  ARG  22          HH21      ARG  22  -1.812  -9.741   1.078
  315   HH12  ARG  22          HH22      ARG  22  -0.189  -9.224   0.640
  316   HH21  ARG  22          HH11      ARG  22  -0.389  -9.667  -2.701
  317   HH22  ARG  22          HH12      ARG  22   0.517  -9.164  -1.282
  318    H    GLY  23           H        GLY  23  -6.591  -9.091  -5.047
  319    HA2  GLY  23           HA2      GLY  23  -7.803  -7.334  -6.032
  320    HA3  GLY  23           HA3      GLY  23  -9.011  -7.423  -4.729
  321    H    PHE  24           H        PHE  24  -8.530  -4.978  -5.339
  322    HA   PHE  24           HA       PHE  24  -6.867  -3.857  -3.169
  323    HD1  PHE  24           HD1      PHE  24  -7.030  -1.139  -6.396
  324    HD2  PHE  24           HD2      PHE  24  -5.814  -5.222  -7.055
  325    HE1  PHE  24           HE1      PHE  24  -7.558  -0.912  -8.821
  326    HE2  PHE  24           HE2      PHE  24  -6.353  -4.987  -9.467
  327    HZ   PHE  24           HZ       PHE  24  -7.213  -2.839 -10.352
  328    HB2  PHE  24           HB2      PHE  24  -5.625  -2.419  -4.721
  329    HB3  PHE  24           HB3      PHE  24  -5.287  -4.114  -4.978
  330    H    PHE  25           H        PHE  25  -7.033  -1.619  -2.862
  331    HA   PHE  25           HA       PHE  25  -9.547  -0.314  -3.823
  332    HD1  PHE  25           HD1      PHE  25 -11.485   0.601  -1.987
  333    HD2  PHE  25           HD2      PHE  25  -7.732   2.649  -1.400
  334    HE1  PHE  25           HE1      PHE  25 -12.695   2.744  -1.685
  335    HE2  PHE  25           HE2      PHE  25  -8.944   4.788  -1.109
  336    HZ   PHE  25           HZ       PHE  25 -11.431   4.840  -1.237
  337    HB2  PHE  25           HB2      PHE  25  -9.361  -0.623  -1.366
  338    HB3  PHE  25           HB3      PHE  25  -7.820   0.222  -1.371
  339    H    TYR  26           H        TYR  26  -9.255   1.290  -5.271
  340    HA   TYR  26           HA       TYR  26  -6.478   2.007  -6.023
  341    HD1  TYR  26           HD1      TYR  26  -5.564   1.618  -8.287
  342    HD2  TYR  26           HD2      TYR  26  -8.990   4.137  -9.013
  343    HE1  TYR  26           HE1      TYR  26  -4.340   2.755 -10.125
  344    HE2  TYR  26           HE2      TYR  26  -7.772   5.266 -10.858
  345    HH   TYR  26           HH       TYR  26  -4.428   4.337 -11.789
  346    HB2  TYR  26           HB2      TYR  26  -8.081   1.014  -7.625
  347    HB3  TYR  26           HB3      TYR  26  -9.146   2.395  -7.424
  348    H    THR  27           H        THR  27  -9.382   3.674  -4.848
  349    HA   THR  27           HA       THR  27  -9.074   6.107  -6.070
  350    HB   THR  27           HB       THR  27 -10.314   5.698  -3.339
  351    HG1  THR  27           HG1      THR  27 -12.158   5.188  -4.621
  352   HG21  THR  27          HG21      THR  27 -11.884   7.457  -4.135
  353   HG22  THR  27          HG22      THR  27 -10.909   7.657  -5.610
  354   HG23  THR  27          HG23      THR  27 -10.227   8.071  -4.018
  355    HA   PRO  28           HA       PRO  28  -5.618   7.812  -3.706
  356    HB2  PRO  28           HB2      PRO  28  -5.050   9.998  -5.203
  357    HB3  PRO  28           HB3      PRO  28  -4.783   8.346  -5.831
  358    HG2  PRO  28           HG2      PRO  28  -7.185  10.147  -6.298
  359    HG3  PRO  28           HG3      PRO  28  -6.218   9.274  -7.527
  360    HD2  PRO  28           HD2      PRO  28  -8.546   8.270  -6.507
  361    HD3  PRO  28           HD3      PRO  28  -7.174   7.210  -6.963
  362    H    LYS  29           H        LYS  29  -5.062   9.886  -2.625
  363    HA   LYS  29           HA       LYS  29  -7.153  11.204  -1.214
  364    HB2  LYS  29           HB2      LYS  29  -4.832  11.025  -0.436
  365    HB3  LYS  29           HB3      LYS  29  -4.289  12.059  -1.772
  366    HG2  LYS  29           HG2      LYS  29  -5.552  13.954  -0.887
  367    HG3  LYS  29           HG3      LYS  29  -6.254  12.934   0.390
  368    HD2  LYS  29           HD2      LYS  29  -3.981  12.584   1.345
  369    HD3  LYS  29           HD3      LYS  29  -3.291  13.529   0.026
  370    HE2  LYS  29           HE2      LYS  29  -3.395  14.972   1.928
  371    HE3  LYS  29           HE3      LYS  29  -4.605  15.525   0.768
  372    HZ1  LYS  29           HZ1      LYS  29  -5.461  15.473   3.034
  373    HZ2  LYS  29           HZ2      LYS  29  -5.164  13.873   3.177
  374    HZ3  LYS  29           HZ3      LYS  29  -6.297  14.413   2.118
  375    H    THR  30           H        THR  30  -8.357  12.895  -1.590
  376    HA   THR  30           HA       THR  30  -9.251  14.840  -2.321
  377    HB   THR  30           HB       THR  30  -7.075  15.114  -4.424
  378    HG1  THR  30           HG1      THR  30  -6.161  16.469  -2.876
  379   HG21  THR  30          HG21      THR  30  -9.060  16.509  -4.882
  380   HG22  THR  30          HG22      THR  30  -7.712  17.503  -4.323
  381   HG23  THR  30          HG23      THR  30  -9.041  17.110  -3.211
  Start of MODEL   32
    1    H1   GLY   1           H1       GLY   1  -3.165  10.373  -2.027
    2    H2   GLY   1           H2       GLY   1  -2.295   9.712  -0.794
    3    H3   GLY   1           H3       GLY   1  -3.913   9.916  -0.635
    4    HA2  GLY   1           HA2      GLY   1  -3.427   7.607  -1.057
    5    HA3  GLY   1           HA3      GLY   1  -4.357   8.319  -2.398
    6    H    ILE   2           H        ILE   2  -2.573   5.974  -2.498
    7    HA   ILE   2           HA       ILE   2   0.061   6.696  -3.221
    8    HB   ILE   2           HB       ILE   2   0.447   4.479  -3.973
    9   HG12  ILE   2          HG12      ILE   2  -2.552   3.978  -3.950
   10   HG13  ILE   2          HG13      ILE   2  -1.553   4.129  -5.391
   11   HG21  ILE   2          HG21      ILE   2  -0.079   3.282  -1.959
   12   HG22  ILE   2          HG22      ILE   2   0.213   4.971  -1.538
   13   HG23  ILE   2          HG23      ILE   2  -1.453   4.349  -1.605
   14   HD11  ILE   2          HD11      ILE   2  -0.225   2.154  -4.728
   15   HD12  ILE   2          HD12      ILE   2  -1.291   1.923  -3.326
   16   HD13  ILE   2          HD13      ILE   2  -1.946   1.787  -4.966
   17    H    VAL   3           H        VAL   3  -2.726   6.677  -5.329
   18    HA   VAL   3           HA       VAL   3  -1.257   6.518  -7.780
   19    HB   VAL   3           HB       VAL   3  -3.934   7.860  -7.359
   20   HG11  VAL   3          HG11      VAL   3  -2.672   6.722  -9.880
   21   HG12  VAL   3          HG12      VAL   3  -4.382   7.188  -9.733
   22   HG13  VAL   3          HG13      VAL   3  -3.133   8.417  -9.577
   23   HG21  VAL   3          HG21      VAL   3  -3.361   4.955  -8.044
   24   HG22  VAL   3          HG22      VAL   3  -3.976   5.527  -6.493
   25   HG23  VAL   3          HG23      VAL   3  -4.967   5.719  -7.930
   26    H    GLU   4           H        GLU   4  -1.645   9.202  -5.571
   27    HA   GLU   4           HA       GLU   4  -0.606  11.195  -7.484
   28    HB2  GLU   4           HB2      GLU   4  -2.142  11.880  -5.684
   29    HB3  GLU   4           HB3      GLU   4  -0.983  11.329  -4.463
   30    HG2  GLU   4           HG2      GLU   4   0.665  12.997  -5.285
   31    HG3  GLU   4           HG3      GLU   4  -0.459  13.499  -6.548
   32    H    GLN   5           H        GLN   5   0.583   9.565  -4.492
   33    HA   GLN   5           HA       GLN   5   3.197  10.569  -4.513
   34    HB2  GLN   5           HB2      GLN   5   2.164   9.460  -2.584
   35    HB3  GLN   5           HB3      GLN   5   2.103   7.929  -3.458
   36    HG2  GLN   5           HG2      GLN   5   3.929   7.925  -1.846
   37    HG3  GLN   5           HG3      GLN   5   4.552   7.780  -3.476
   38   HE21  GLN   5          HE21      GLN   5   6.644   8.692  -3.186
   39   HE22  GLN   5          HE22      GLN   5   6.874  10.326  -2.572
   40    H    CYS   6           H        CYS   6   2.085   7.440  -5.906
   41    HA   CYS   6           HA       CYS   6   4.620   6.538  -6.864
   42    HB2  CYS   6           HB2      CYS   6   1.761   6.041  -7.793
   43    HB3  CYS   6           HB3      CYS   6   3.153   5.146  -8.357
   44    H    CYS   7           H        CYS   7   2.423   8.886  -8.181
   45    HA   CYS   7           HA       CYS   7   3.534   8.612 -10.923
   46    HB2  CYS   7           HB2      CYS   7   1.071   8.635 -10.361
   47    HB3  CYS   7           HB3      CYS   7   1.231  10.326  -9.898
   48    H    THR   8           H        THR   8   3.196  11.087  -8.340
   49    HA   THR   8           HA       THR   8   4.693  13.122  -9.849
   50    HB   THR   8           HB       THR   8   2.712  13.496  -8.256
   51    HG1  THR   8           HG1      THR   8   3.597  15.517  -7.773
   52   HG21  THR   8          HG21      THR   8   3.744  12.284  -6.249
   53   HG22  THR   8          HG22      THR   8   3.171  13.932  -5.943
   54   HG23  THR   8          HG23      THR   8   4.907  13.622  -6.138
   55    H    SER   9           H        SER   9   5.434  10.699  -7.443
   56    HA   SER   9           HA       SER   9   8.341  11.260  -7.666
   57    HG   SER   9           HG       SER   9   9.062  11.700  -4.307
   58    HB2  SER   9           HB2      SER   9   7.447  12.461  -5.649
   59    HB3  SER   9           HB3      SER   9   6.893  10.905  -5.018
   60    H    ILE  10           H        ILE  10   8.823   9.207  -5.641
   61    HA   ILE  10           HA       ILE  10   8.032   6.796  -7.241
   62    HB   ILE  10           HB       ILE  10   9.906   5.653  -6.234
   63   HG12  ILE  10          HG12      ILE  10  10.698   8.317  -4.963
   64   HG13  ILE  10          HG13      ILE  10  10.089   6.900  -4.100
   65   HG21  ILE  10          HG21      ILE  10  10.082   6.840  -8.407
   66   HG22  ILE  10          HG22      ILE  10  10.813   8.224  -7.566
   67   HG23  ILE  10          HG23      ILE  10  11.633   6.653  -7.586
   68   HD11  ILE  10          HD11      ILE  10  12.078   5.598  -4.916
   69   HD12  ILE  10          HD12      ILE  10  12.727   7.115  -5.587
   70   HD13  ILE  10          HD13      ILE  10  12.462   6.957  -3.842
   71    H    CYS  11           H        CYS  11   7.409   4.872  -6.181
   72    HA   CYS  11           HA       CYS  11   6.737   5.045  -3.290
   73    HB2  CYS  11           HB2      CYS  11   4.486   4.303  -3.605
   74    HB3  CYS  11           HB3      CYS  11   4.734   5.714  -4.631
   75    H    SER  12           H        SER  12   6.028   2.848  -2.428
   76    HA   SER  12           HA       SER  12   7.986   0.842  -3.444
   77    HG   SER  12           HG       SER  12   6.877   1.334   0.447
   78    HB2  SER  12           HB2      SER  12   8.051   0.038  -1.163
   79    HB3  SER  12           HB3      SER  12   8.345   1.782  -1.174
   80    H    LEU  13           H        LEU  13   7.461  -1.372  -3.394
   81    HA   LEU  13           HA       LEU  13   4.836  -2.203  -4.184
   82    HG   LEU  13           HG       LEU  13   7.950  -2.814  -5.054
   83    HB2  LEU  13           HB2      LEU  13   7.148  -3.776  -2.960
   84    HB3  LEU  13           HB3      LEU  13   5.738  -4.464  -3.747
   85   HD11  LEU  13          HD11      LEU  13   8.435  -5.200  -4.509
   86   HD12  LEU  13          HD12      LEU  13   8.427  -4.895  -6.257
   87   HD13  LEU  13          HD13      LEU  13   7.043  -5.699  -5.485
   88   HD21  LEU  13          HD21      LEU  13   5.868  -2.198  -6.202
   89   HD22  LEU  13          HD22      LEU  13   5.385  -3.906  -6.316
   90   HD23  LEU  13          HD23      LEU  13   6.782  -3.310  -7.228
   91    H    TYR  14           H        TYR  14   6.351  -1.868  -1.021
   92    HA   TYR  14           HA       TYR  14   4.279  -3.167   0.480
   93    HD1  TYR  14           HD2      TYR  14   5.153  -4.125   2.933
   94    HD2  TYR  14           HD1      TYR  14   5.116   0.185   3.029
   95    HE1  TYR  14           HE2      TYR  14   4.197  -4.188   5.227
   96    HE2  TYR  14           HE1      TYR  14   4.173   0.135   5.326
   97    HH   TYR  14           HH       TYR  14   3.452  -2.953   7.024
   98    HB2  TYR  14           HB2      TYR  14   6.544  -2.691   1.343
   99    HB3  TYR  14           HB3      TYR  14   6.238  -0.965   1.255
  100    H    GLN  15           H        GLN  15   4.448   0.062  -0.941
  101    HA   GLN  15           HA       GLN  15   2.093   1.031   0.600
  102    HB2  GLN  15           HB2      GLN  15   3.818   2.239  -1.601
  103    HB3  GLN  15           HB3      GLN  15   2.293   2.959  -1.122
  104    HG2  GLN  15           HG2      GLN  15   4.557   2.403   0.834
  105    HG3  GLN  15           HG3      GLN  15   4.312   3.942   0.016
  106   HE21  GLN  15          HE21      GLN  15   2.280   5.177   0.522
  107   HE22  GLN  15          HE22      GLN  15   1.501   4.876   2.060
  108    H    LEU  16           H        LEU  16   2.847  -0.322  -2.630
  109    HA   LEU  16           HA       LEU  16   0.104  -0.351  -3.546
  110    HG   LEU  16           HG       LEU  16   0.788  -0.261  -5.853
  111    HB2  LEU  16           HB2      LEU  16   2.566  -2.035  -4.153
  112    HB3  LEU  16           HB3      LEU  16   0.984  -2.467  -4.773
  113   HD11  LEU  16          HD11      LEU  16   2.748   1.114  -6.316
  114   HD12  LEU  16          HD12      LEU  16   3.727   0.133  -5.212
  115   HD13  LEU  16          HD13      LEU  16   2.377   1.138  -4.594
  116   HD21  LEU  16          HD21      LEU  16   2.243  -0.838  -7.732
  117   HD22  LEU  16          HD22      LEU  16   1.630  -2.332  -7.005
  118   HD23  LEU  16          HD23      LEU  16   3.288  -1.811  -6.664
  119    H    GLU  17           H        GLU  17   1.949  -2.738  -1.584
  120    HA   GLU  17           HA       GLU  17  -0.149  -4.566  -1.255
  121    HB2  GLU  17           HB2      GLU  17   2.292  -4.919  -0.736
  122    HB3  GLU  17           HB3      GLU  17   2.047  -4.024   0.774
  123    HG2  GLU  17           HG2      GLU  17   0.371  -5.708   1.492
  124    HG3  GLU  17           HG3      GLU  17   0.553  -6.555  -0.054
  125    H    ASN  18           H        ASN  18   0.598  -1.673   0.713
  126    HA   ASN  18           HA       ASN  18  -1.351  -2.038   2.739
  127    HB2  ASN  18           HB2      ASN  18   0.534  -0.411   2.771
  128    HB3  ASN  18           HB3      ASN  18  -0.275   0.538   1.521
  129   HD21  ASN  18          HD21      ASN  18  -0.752  -0.740   4.873
  130   HD22  ASN  18          HD22      ASN  18  -1.755   0.598   5.381
  131    H    TYR  19           H        TYR  19  -1.775  -1.175  -0.621
  132    HA   TYR  19           HA       TYR  19  -4.573  -0.246  -0.211
  133    HD1  TYR  19           HD2      TYR  19  -2.912   1.676   0.287
  134    HD2  TYR  19           HD1      TYR  19  -4.734   2.119  -3.590
  135    HE1  TYR  19           HE2      TYR  19  -3.524   4.002   0.851
  136    HE2  TYR  19           HE1      TYR  19  -5.323   4.473  -3.043
  137    HH   TYR  19           HH       TYR  19  -4.598   5.909   0.165
  138    HB2  TYR  19           HB2      TYR  19  -2.480   0.158  -2.307
  139    HB3  TYR  19           HB3      TYR  19  -4.126  -0.016  -2.878
  140    H    CYS  20           H        CYS  20  -3.124  -3.247  -0.593
  141    HA   CYS  20           HA       CYS  20  -5.246  -4.498  -2.172
  142    HB2  CYS  20           HB2      CYS  20  -3.594  -5.719   0.051
  143    HB3  CYS  20           HB3      CYS  20  -4.524  -6.566  -1.178
  144    H    ASN  21           H        ASN  21  -7.208  -5.366  -1.436
  145    HA   ASN  21           HA       ASN  21  -8.258  -4.203   1.066
  146    HB2  ASN  21           HB2      ASN  21 -10.435  -5.048   0.327
  147    HB3  ASN  21           HB3      ASN  21  -9.666  -4.010  -0.868
  148   HD21  ASN  21          HD21      ASN  21  -8.930  -7.486  -0.400
  149   HD22  ASN  21          HD22      ASN  21  -9.660  -7.982  -1.934
  150    HA   PHE   1           HA       PHE   1  12.679  -5.561  -6.258
  151    HD1  PHE   1           HD2      PHE   1  10.401  -6.692  -6.697
  152    HD2  PHE   1           HD1      PHE   1  11.314  -7.594  -2.565
  153    HE1  PHE   1           HE2      PHE   1   9.413  -8.952  -6.963
  154    HE2  PHE   1           HE1      PHE   1  10.332  -9.856  -2.846
  155    HZ   PHE   1           HZ       PHE   1   9.381 -10.539  -5.039
  156    H1   PHE   1           H1       PHE   1  14.752  -6.217  -5.281
  157    H2   PHE   1           H2       PHE   1  13.586  -7.285  -4.850
  158    H3   PHE   1           H3       PHE   1  14.126  -6.175  -3.767
  159    HB2  PHE   1           HB2      PHE   1  11.689  -5.397  -3.385
  160    HB3  PHE   1           HB3      PHE   1  10.810  -4.862  -4.804
  161    H    VAL   2           H        VAL   2  11.912  -3.262  -6.350
  162    HA   VAL   2           HA       VAL   2  13.430  -1.306  -4.737
  163    HB   VAL   2           HB       VAL   2  14.081   0.019  -6.717
  164   HG11  VAL   2          HG11      VAL   2  16.075  -1.206  -7.314
  165   HG12  VAL   2          HG12      VAL   2  15.732  -1.430  -5.593
  166   HG13  VAL   2          HG13      VAL   2  15.371  -2.732  -6.750
  167   HG21  VAL   2          HG21      VAL   2  14.204  -0.973  -8.959
  168   HG22  VAL   2          HG22      VAL   2  13.387  -2.435  -8.387
  169   HG23  VAL   2          HG23      VAL   2  12.527  -0.875  -8.422
  170    H    ASN   3           H        ASN   3  12.576   0.785  -4.770
  171    HA   ASN   3           HA       ASN   3   9.730   1.140  -5.314
  172    HB2  ASN   3           HB2      ASN   3  11.963   3.099  -4.583
  173    HB3  ASN   3           HB3      ASN   3  10.261   3.530  -4.715
  174   HD21  ASN   3          HD21      ASN   3  11.061   4.242  -2.394
  175   HD22  ASN   3          HD22      ASN   3  10.688   3.077  -1.137
  176    H    GLN   4           H        GLN   4   8.800   2.609  -6.819
  177    HA   GLN   4           HA       GLN   4  10.415   3.232  -9.258
  178    HB2  GLN   4           HB2      GLN   4   7.923   1.475  -9.137
  179    HB3  GLN   4           HB3      GLN   4   8.605   2.124 -10.627
  180    HG2  GLN   4           HG2      GLN   4  10.719   0.872 -10.192
  181    HG3  GLN   4           HG3      GLN   4   9.981   0.155  -8.756
  182   HE21  GLN   4          HE21      GLN   4   9.589   0.378 -12.350
  183   HE22  GLN   4          HE22      GLN   4   8.741  -1.153 -12.460
  184    H    HIS   5           H        HIS   5   9.330   4.592 -10.796
  185    HA   HIS   5           HA       HIS   5   7.056   6.247  -9.846
  186    HD1  HIS   5           HD1      HIS   5   7.956   8.807  -9.719
  187    HD2  HIS   5           HD2      HIS   5  10.817   7.295 -12.404
  188    HE1  HIS   5           HE1      HIS   5  10.002  10.309  -9.500
  189    HB2  HIS   5           HB2      HIS   5   8.526   6.134 -12.515
  190    HB3  HIS   5           HB3      HIS   5   7.211   7.230 -12.121
  191    H    LEU   6           H        LEU   6   4.979   5.768 -10.441
  192    HA   LEU   6           HA       LEU   6   4.328   3.706 -12.460
  193    HG   LEU   6           HG       LEU   6   5.918   2.353 -10.146
  194    HB2  LEU   6           HB2      LEU   6   3.766   3.450  -9.464
  195    HB3  LEU   6           HB3      LEU   6   2.925   2.521 -10.693
  196   HD11  LEU   6          HD11      LEU   6   5.369   0.206  -9.044
  197   HD12  LEU   6          HD12      LEU   6   3.637   0.521  -9.283
  198   HD13  LEU   6          HD13      LEU   6   4.604   1.562  -8.219
  199   HD21  LEU   6          HD21      LEU   6   4.061   0.573 -11.804
  200   HD22  LEU   6          HD22      LEU   6   5.783   0.267 -11.481
  201   HD23  LEU   6          HD23      LEU   6   5.302   1.657 -12.457
  202    H    CYS   7           H        CYS   7   2.449   4.354 -13.477
  203    HA   CYS   7           HA       CYS   7   0.392   5.835 -12.015
  204    HB2  CYS   7           HB2      CYS   7   2.266   7.444 -12.738
  205    HB3  CYS   7           HB3      CYS   7   1.651   7.238 -14.375
  206    H    GLY   8           H        GLY   8  -1.524   6.113 -13.133
  207    HA2  GLY   8           HA2      GLY   8  -3.309   5.333 -14.414
  208    HA3  GLY   8           HA3      GLY   8  -2.167   5.370 -15.761
  209    H    SER   9           H        SER   9  -2.452   3.527 -16.850
  210    HA   SER   9           HA       SER   9  -3.457   1.076 -15.827
  211    HG   SER   9           HG       SER   9  -3.901   1.741 -19.314
  212    HB2  SER   9           HB2      SER   9  -1.790   1.551 -18.330
  213    HB3  SER   9           HB3      SER   9  -2.849   0.170 -18.010
  214    H    HIS  10           H        HIS  10  -0.151   2.295 -16.078
  215    HA   HIS  10           HA       HIS  10   1.233  -0.210 -15.719
  216    HD1  HIS  10           HD1      HIS  10   1.585   4.282 -16.720
  217    HD2  HIS  10           HD2      HIS  10   2.562   0.497 -18.265
  218    HE1  HIS  10           HE1      HIS  10   1.617   4.536 -19.262
  219    HB2  HIS  10           HB2      HIS  10   2.202   2.553 -14.934
  220    HB3  HIS  10           HB3      HIS  10   3.167   1.181 -15.475
  221    H    LEU  11           H        LEU  11   0.134   2.347 -13.432
  222    HA   LEU  11           HA       LEU  11   1.072   0.958 -11.061
  223    HG   LEU  11           HG       LEU  11  -1.373   2.106  -9.241
  224    HB2  LEU  11           HB2      LEU  11   0.696   3.379 -11.075
  225    HB3  LEU  11           HB3      LEU  11  -1.014   3.153 -11.434
  226   HD11  LEU  11          HD11      LEU  11   0.832   1.047  -8.806
  227   HD12  LEU  11          HD12      LEU  11   0.363   2.121  -7.492
  228   HD13  LEU  11          HD13      LEU  11   1.578   2.655  -8.665
  229   HD21  LEU  11          HD21      LEU  11   0.157   4.735  -9.069
  230   HD22  LEU  11          HD22      LEU  11  -1.012   4.123  -7.881
  231   HD23  LEU  11          HD23      LEU  11  -1.553   4.547  -9.513
  232    H    VAL  12           H        VAL  12  -2.108   1.163 -12.731
  233    HA   VAL  12           HA       VAL  12  -3.501  -0.530 -10.925
  234    HB   VAL  12           HB       VAL  12  -3.922  -0.071 -13.894
  235   HG11  VAL  12          HG11      VAL  12  -5.757  -1.575 -11.985
  236   HG12  VAL  12          HG12      VAL  12  -6.226  -0.991 -13.590
  237   HG13  VAL  12          HG13      VAL  12  -4.982  -2.224 -13.446
  238   HG21  VAL  12          HG21      VAL  12  -4.295   1.878 -12.363
  239   HG22  VAL  12          HG22      VAL  12  -5.781   1.342 -13.153
  240   HG23  VAL  12          HG23      VAL  12  -5.473   0.915 -11.461
  241    H    GLU  13           H        GLU  13  -1.526  -1.475 -13.768
  242    HA   GLU  13           HA       GLU  13  -1.953  -4.289 -13.507
  243    HB2  GLU  13           HB2      GLU  13  -1.051  -3.127 -15.511
  244    HB3  GLU  13           HB3      GLU  13   0.450  -2.800 -14.646
  245    HG2  GLU  13           HG2      GLU  13   0.886  -5.217 -14.448
  246    HG3  GLU  13           HG3      GLU  13  -0.685  -5.587 -15.165
  247    H    ALA  14           H        ALA  14   0.688  -2.183 -12.231
  248    HA   ALA  14           HA       ALA  14   2.153  -4.281 -10.935
  249    HB1  ALA  14           HB1      ALA  14   1.977  -1.300 -10.289
  250    HB2  ALA  14           HB2      ALA  14   3.243  -2.414  -9.727
  251    HB3  ALA  14           HB3      ALA  14   3.083  -2.048 -11.455
  252    H    LEU  15           H        LEU  15  -0.399  -2.128  -9.696
  253    HA   LEU  15           HA       LEU  15  -0.485  -3.114  -7.022
  254    HG   LEU  15           HG       LEU  15  -3.613  -2.670  -6.647
  255    HB2  LEU  15           HB2      LEU  15  -1.422  -0.967  -7.896
  256    HB3  LEU  15           HB3      LEU  15  -2.652  -1.871  -8.773
  257   HD11  LEU  15          HD11      LEU  15  -1.613  -2.666  -5.186
  258   HD12  LEU  15          HD12      LEU  15  -2.901  -1.671  -4.497
  259   HD13  LEU  15          HD13      LEU  15  -1.521  -0.895  -5.304
  260   HD21  LEU  15          HD21      LEU  15  -4.489  -0.469  -5.939
  261   HD22  LEU  15          HD22      LEU  15  -4.374  -0.564  -7.707
  262   HD23  LEU  15          HD23      LEU  15  -3.163   0.353  -6.780
  263    H    TYR  16           H        TYR  16  -2.392  -4.095  -9.931
  264    HA   TYR  16           HA       TYR  16  -3.738  -6.248  -8.592
  265    HD1  TYR  16           HD2      TYR  16  -5.803  -7.249  -9.305
  266    HD2  TYR  16           HD1      TYR  16  -3.362  -7.789 -12.826
  267    HE1  TYR  16           HE2      TYR  16  -6.959  -9.390  -9.770
  268    HE2  TYR  16           HE1      TYR  16  -4.525  -9.936 -13.295
  269    HH   TYR  16           HH       TYR  16  -7.130 -11.210 -11.167
  270    HB2  TYR  16           HB2      TYR  16  -4.493  -5.264 -10.718
  271    HB3  TYR  16           HB3      TYR  16  -3.055  -5.864 -11.532
  272    H    LEU  17           H        LEU  17  -0.473  -6.147 -10.013
  273    HA   LEU  17           HA       LEU  17  -0.071  -9.023  -9.717
  274    HG   LEU  17           HG       LEU  17   0.397  -7.513 -12.112
  275    HB2  LEU  17           HB2      LEU  17   1.840  -6.693 -10.122
  276    HB3  LEU  17           HB3      LEU  17   2.392  -8.345  -9.961
  277   HD11  LEU  17          HD11      LEU  17   2.328  -7.491 -13.661
  278   HD12  LEU  17          HD12      LEU  17   3.432  -7.757 -12.289
  279   HD13  LEU  17          HD13      LEU  17   2.497  -6.249 -12.410
  280   HD21  LEU  17          HD21      LEU  17   0.408  -9.928 -11.645
  281   HD22  LEU  17          HD22      LEU  17   2.174  -9.974 -11.813
  282   HD23  LEU  17          HD23      LEU  17   1.148  -9.601 -13.216
  283    H    VAL  18           H        VAL  18   0.477  -6.289  -7.560
  284    HA   VAL  18           HA       VAL  18   1.704  -7.927  -5.463
  285    HB   VAL  18           HB       VAL  18   0.475  -5.153  -5.367
  286   HG11  VAL  18          HG11      VAL  18   2.068  -6.631  -3.221
  287   HG12  VAL  18          HG12      VAL  18   1.727  -4.888  -3.210
  288   HG13  VAL  18          HG13      VAL  18   0.399  -6.037  -3.089
  289   HG21  VAL  18          HG21      VAL  18   3.398  -6.055  -5.311
  290   HG22  VAL  18          HG22      VAL  18   2.584  -5.361  -6.721
  291   HG23  VAL  18          HG23      VAL  18   2.818  -4.374  -5.274
  292    H    CYS  19           H        CYS  19  -1.581  -6.766  -6.155
  293    HA   CYS  19           HA       CYS  19  -2.720  -8.074  -3.734
  294    HB2  CYS  19           HB2      CYS  19  -3.923  -6.110  -5.721
  295    HB3  CYS  19           HB3      CYS  19  -4.633  -6.652  -4.207
  296    H    GLY  20           H        GLY  20  -2.128  -9.378  -6.584
  297    HA2  GLY  20           HA2      GLY  20  -4.444  -9.886  -7.963
  298    HA3  GLY  20           HA3      GLY  20  -3.092 -11.029  -7.921
  299    H    GLU  21           H        GLU  21  -3.343 -11.877  -5.197
  300    HA   GLU  21           HA       GLU  21  -5.571 -13.715  -5.310
  301    HB2  GLU  21           HB2      GLU  21  -3.745 -13.104  -2.949
  302    HB3  GLU  21           HB3      GLU  21  -4.739 -14.531  -3.201
  303    HG2  GLU  21           HG2      GLU  21  -2.822 -15.446  -3.901
  304    HG3  GLU  21           HG3      GLU  21  -3.245 -14.716  -5.443
  305    H    ARG  22           H        ARG  22  -5.475 -10.486  -4.287
  306    HA   ARG  22           HA       ARG  22  -7.486 -10.776  -2.097
  307    HE   ARG  22           HE       ARG  22  -6.546  -8.981   0.607
  308    HB2  ARG  22           HB2      ARG  22  -5.513  -8.540  -2.753
  309    HB3  ARG  22           HB3      ARG  22  -6.635  -8.536  -1.416
  310    HG2  ARG  22           HG2      ARG  22  -4.316 -10.489  -1.807
  311    HG3  ARG  22           HG3      ARG  22  -4.329  -9.093  -0.738
  312    HD2  ARG  22           HD2      ARG  22  -6.113 -11.550  -0.474
  313    HD3  ARG  22           HD3      ARG  22  -4.689 -11.167   0.499
  314   HH11  ARG  22          HH11      ARG  22  -6.183 -12.246   1.947
  315   HH12  ARG  22          HH12      ARG  22  -7.185 -11.878   3.319
  316   HH21  ARG  22          HH21      ARG  22  -7.780  -8.582   2.295
  317   HH22  ARG  22          HH22      ARG  22  -8.086  -9.776   3.549
  318    H    GLY  23           H        GLY  23  -6.668  -8.628  -4.845
  319    HA2  GLY  23           HA2      GLY  23  -8.173  -7.152  -6.049
  320    HA3  GLY  23           HA3      GLY  23  -9.385  -7.335  -4.762
  321    H    PHE  24           H        PHE  24  -8.587  -4.829  -5.643
  322    HA   PHE  24           HA       PHE  24  -7.041  -3.714  -3.350
  323    HD1  PHE  24           HD1      PHE  24  -6.897  -1.077  -6.638
  324    HD2  PHE  24           HD2      PHE  24  -6.047  -5.263  -7.195
  325    HE1  PHE  24           HE1      PHE  24  -7.374  -0.842  -9.055
  326    HE2  PHE  24           HE2      PHE  24  -6.575  -5.033  -9.623
  327    HZ   PHE  24           HZ       PHE  24  -7.213  -2.829 -10.551
  328    HB2  PHE  24           HB2      PHE  24  -5.659  -2.424  -4.906
  329    HB3  PHE  24           HB3      PHE  24  -5.445  -4.146  -5.117
  330    H    PHE  25           H        PHE  25  -7.138  -1.549  -3.005
  331    HA   PHE  25           HA       PHE  25  -9.470   0.009  -3.993
  332    HD1  PHE  25           HD1      PHE  25 -10.985   1.520  -2.720
  333    HD2  PHE  25           HD2      PHE  25  -7.166   2.537  -0.989
  334    HE1  PHE  25           HE1      PHE  25 -11.760   3.859  -2.380
  335    HE2  PHE  25           HE2      PHE  25  -7.953   4.858  -0.621
  336    HZ   PHE  25           HZ       PHE  25 -10.242   5.527  -1.331
  337    HB2  PHE  25           HB2      PHE  25  -9.219  -0.225  -1.547
  338    HB3  PHE  25           HB3      PHE  25  -7.552   0.328  -1.645
  339    H    TYR  26           H        TYR  26  -8.992   2.273  -4.630
  340    HA   TYR  26           HA       TYR  26  -6.259   2.909  -5.557
  341    HD1  TYR  26           HD2      TYR  26  -4.949   1.730  -8.004
  342    HD2  TYR  26           HD1      TYR  26  -8.199   4.419  -8.888
  343    HE1  TYR  26           HE2      TYR  26  -3.631   2.712  -9.866
  344    HE2  TYR  26           HE1      TYR  26  -6.869   5.425 -10.732
  345    HH   TYR  26           HH       TYR  26  -4.898   5.369 -11.916
  346    HB2  TYR  26           HB2      TYR  26  -7.222   1.294  -7.216
  347    HB3  TYR  26           HB3      TYR  26  -8.543   2.402  -7.509
  348    H    THR  27           H        THR  27  -5.964   5.052  -5.339
  349    HA   THR  27           HA       THR  27  -7.716   7.057  -6.329
  350    HB   THR  27           HB       THR  27  -9.075   6.556  -4.342
  351    HG1  THR  27           HG1      THR  27  -9.281   8.665  -3.801
  352   HG21  THR  27          HG21      THR  27  -6.733   7.607  -2.684
  353   HG22  THR  27          HG22      THR  27  -7.216   5.900  -2.769
  354   HG23  THR  27          HG23      THR  27  -8.328   7.107  -2.101
  355    HA   PRO  28           HA       PRO  28  -3.836   9.317  -5.551
  356    HB2  PRO  28           HB2      PRO  28  -4.457  11.752  -6.595
  357    HB3  PRO  28           HB3      PRO  28  -4.164  10.323  -7.626
  358    HG2  PRO  28           HG2      PRO  28  -6.832  11.464  -6.740
  359    HG3  PRO  28           HG3      PRO  28  -6.336  10.946  -8.375
  360    HD2  PRO  28           HD2      PRO  28  -7.774   9.353  -6.664
  361    HD3  PRO  28           HD3      PRO  28  -6.606   8.682  -7.842
  362    H    LYS  29           H        LYS  29  -7.027  10.254  -4.404
  363    HA   LYS  29           HA       LYS  29  -6.409  11.243  -1.872
  364    HB2  LYS  29           HB2      LYS  29  -6.540  13.684  -2.114
  365    HB3  LYS  29           HB3      LYS  29  -5.127  13.043  -2.894
  366    HG2  LYS  29           HG2      LYS  29  -6.845  13.077  -5.046
  367    HG3  LYS  29           HG3      LYS  29  -7.548  14.369  -4.080
  368    HD2  LYS  29           HD2      LYS  29  -4.660  14.145  -5.050
  369    HD3  LYS  29           HD3      LYS  29  -5.896  15.222  -5.708
  370    HE2  LYS  29           HE2      LYS  29  -5.988  16.471  -3.577
  371    HE3  LYS  29           HE3      LYS  29  -4.840  15.336  -2.848
  372    HZ1  LYS  29           HZ1      LYS  29  -3.680  17.296  -3.600
  373    HZ2  LYS  29           HZ2      LYS  29  -4.243  17.141  -5.125
  374    HZ3  LYS  29           HZ3      LYS  29  -3.208  16.024  -4.524
  375    H    THR  30           H        THR  30  -8.557  11.292  -4.624
  376    HA   THR  30           HA       THR  30 -10.924  12.390  -3.589
  377    HB   THR  30           HB       THR  30 -10.711  10.062  -5.531
  378    HG1  THR  30           HG1      THR  30 -10.486  11.696  -7.094
  379   HG21  THR  30          HG21      THR  30 -12.693  11.135  -6.576
  380   HG22  THR  30          HG22      THR  30 -12.714  12.355  -5.276
  381   HG23  THR  30          HG23      THR  30 -13.030  10.645  -4.915
  Start of MODEL   33
    1    H1   GLY   1           H1       GLY   1  -2.094  10.533  -2.557
    2    H2   GLY   1           H2       GLY   1  -0.771  10.235  -1.633
    3    H3   GLY   1           H3       GLY   1  -2.262  10.238  -0.956
    4    HA2  GLY   1           HA2      GLY   1  -1.499   7.980  -1.185
    5    HA3  GLY   1           HA3      GLY   1  -2.911   8.282  -2.211
    6    H    ILE   2           H        ILE   2  -1.599   6.165  -2.983
    7    HA   ILE   2           HA       ILE   2   0.880   6.455  -4.259
    8    HB   ILE   2           HB       ILE   2   0.371   4.307  -5.447
    9   HG12  ILE   2          HG12      ILE   2  -2.255   4.355  -3.886
   10   HG13  ILE   2          HG13      ILE   2  -2.101   4.534  -5.636
   11   HG21  ILE   2          HG21      ILE   2   0.572   3.014  -3.389
   12   HG22  ILE   2          HG22      ILE   2   1.515   4.499  -3.289
   13   HG23  ILE   2          HG23      ILE   2  -0.034   4.386  -2.436
   14   HD11  ILE   2          HD11      ILE   2  -2.736   2.276  -5.147
   15   HD12  ILE   2          HD12      ILE   2  -1.069   2.258  -5.763
   16   HD13  ILE   2          HD13      ILE   2  -1.398   2.064  -4.020
   17    H    VAL   3           H        VAL   3  -2.244   6.714  -5.966
   18    HA   VAL   3           HA       VAL   3  -1.132   6.929  -8.562
   19    HB   VAL   3           HB       VAL   3  -3.687   8.122  -7.464
   20   HG11  VAL   3          HG11      VAL   3  -4.500   8.217  -9.827
   21   HG12  VAL   3          HG12      VAL   3  -3.222   9.383  -9.500
   22   HG13  VAL   3          HG13      VAL   3  -2.847   7.881 -10.384
   23   HG21  VAL   3          HG21      VAL   3  -3.183   5.635  -9.156
   24   HG22  VAL   3          HG22      VAL   3  -3.523   5.638  -7.414
   25   HG23  VAL   3          HG23      VAL   3  -4.756   6.199  -8.554
   26    H    GLU   4           H        GLU   4  -1.214   9.350  -6.026
   27    HA   GLU   4           HA       GLU   4  -0.273  11.545  -7.782
   28    HB2  GLU   4           HB2      GLU   4  -0.455  11.342  -4.746
   29    HB3  GLU   4           HB3      GLU   4  -0.067  12.789  -5.668
   30    HG2  GLU   4           HG2      GLU   4  -2.294  12.931  -6.566
   31    HG3  GLU   4           HG3      GLU   4  -2.728  11.323  -5.970
   32    H    GLN   5           H        GLN   5   1.016   9.763  -4.929
   33    HA   GLN   5           HA       GLN   5   3.585  10.881  -5.006
   34    HB2  GLN   5           HB2      GLN   5   2.448   9.631  -3.096
   35    HB3  GLN   5           HB3      GLN   5   2.812   8.130  -3.951
   36    HG2  GLN   5           HG2      GLN   5   5.318   9.094  -3.891
   37    HG3  GLN   5           HG3      GLN   5   4.691  10.045  -2.552
   38   HE21  GLN   5          HE21      GLN   5   6.466   7.380  -3.114
   39   HE22  GLN   5          HE22      GLN   5   5.849   6.278  -1.880
   40    H    CYS   6           H        CYS   6   2.539   7.718  -6.417
   41    HA   CYS   6           HA       CYS   6   5.167   6.860  -7.225
   42    HB2  CYS   6           HB2      CYS   6   2.378   6.241  -8.274
   43    HB3  CYS   6           HB3      CYS   6   3.832   5.394  -8.733
   44    H    CYS   7           H        CYS   7   2.961   9.134  -8.630
   45    HA   CYS   7           HA       CYS   7   4.194   8.819 -11.318
   46    HB2  CYS   7           HB2      CYS   7   1.690   8.648 -10.884
   47    HB3  CYS   7           HB3      CYS   7   1.705  10.384 -10.576
   48    H    THR   8           H        THR   8   3.781  11.273  -8.739
   49    HA   THR   8           HA       THR   8   5.325  13.303 -10.263
   50    HB   THR   8           HB       THR   8   5.046  14.693  -8.277
   51    HG1  THR   8           HG1      THR   8   3.804  13.913  -6.557
   52   HG21  THR   8          HG21      THR   8   2.645  15.028  -8.413
   53   HG22  THR   8          HG22      THR   8   2.404  13.392  -9.056
   54   HG23  THR   8          HG23      THR   8   3.259  14.610 -10.027
   55    H    SER   9           H        SER   9   5.873  10.909  -7.759
   56    HA   SER   9           HA       SER   9   8.813  11.408  -7.837
   57    HG   SER   9           HG       SER   9   9.258  11.755  -4.398
   58    HB2  SER   9           HB2      SER   9   7.727  12.568  -5.852
   59    HB3  SER   9           HB3      SER   9   7.202  10.970  -5.293
   60    H    ILE  10           H        ILE  10   9.309   9.389  -5.895
   61    HA   ILE  10           HA       ILE  10   8.617   6.932  -7.472
   62    HB   ILE  10           HB       ILE  10  10.493   5.877  -6.283
   63   HG12  ILE  10          HG12      ILE  10  11.185   8.680  -5.273
   64   HG13  ILE  10          HG13      ILE  10  10.540   7.380  -4.274
   65   HG21  ILE  10          HG21      ILE  10  11.313   8.368  -7.821
   66   HG22  ILE  10          HG22      ILE  10  12.215   6.846  -7.688
   67   HG23  ILE  10          HG23      ILE  10  10.677   6.884  -8.555
   68   HD11  ILE  10          HD11      ILE  10  13.224   7.373  -5.705
   69   HD12  ILE  10          HD12      ILE  10  12.935   7.525  -3.966
   70   HD13  ILE  10          HD13      ILE  10  12.543   6.006  -4.791
   71    H    CYS  11           H        CYS  11   8.032   5.006  -6.431
   72    HA   CYS  11           HA       CYS  11   7.255   5.118  -3.583
   73    HB2  CYS  11           HB2      CYS  11   4.981   4.462  -3.973
   74    HB3  CYS  11           HB3      CYS  11   5.284   5.906  -4.920
   75    H    SER  12           H        SER  12   6.615   3.043  -2.710
   76    HA   SER  12           HA       SER  12   8.261   0.834  -3.915
   77    HG   SER  12           HG       SER  12   9.740   1.842  -0.824
   78    HB2  SER  12           HB2      SER  12   7.497   1.374  -1.028
   79    HB3  SER  12           HB3      SER  12   8.501   0.028  -1.606
   80    H    LEU  13           H        LEU  13   7.514  -1.375  -3.712
   81    HA   LEU  13           HA       LEU  13   4.749  -1.784  -4.260
   82    HG   LEU  13           HG       LEU  13   7.682  -2.935  -5.391
   83    HB2  LEU  13           HB2      LEU  13   6.868  -3.759  -3.273
   84    HB3  LEU  13           HB3      LEU  13   5.311  -4.177  -3.949
   85   HD11  LEU  13          HD11      LEU  13   7.520  -4.973  -6.773
   86   HD12  LEU  13          HD12      LEU  13   6.124  -5.519  -5.828
   87   HD13  LEU  13          HD13      LEU  13   7.720  -5.374  -5.058
   88   HD21  LEU  13          HD21      LEU  13   6.358  -2.937  -7.483
   89   HD22  LEU  13          HD22      LEU  13   5.727  -1.778  -6.314
   90   HD23  LEU  13          HD23      LEU  13   4.897  -3.331  -6.556
   91    H    TYR  14           H        TYR  14   6.518  -1.898  -1.191
   92    HA   TYR  14           HA       TYR  14   4.436  -2.872   0.448
   93    HD1  TYR  14           HD1      TYR  14   5.672  -4.408   1.649
   94    HD2  TYR  14           HD2      TYR  14   8.782  -1.461   1.147
   95    HE1  TYR  14           HE1      TYR  14   7.392  -6.182   1.890
   96    HE2  TYR  14           HE2      TYR  14  10.506  -3.229   1.420
   97    HH   TYR  14           HH       TYR  14  10.908  -5.450   1.849
   98    HB2  TYR  14           HB2      TYR  14   6.564  -0.766   1.026
   99    HB3  TYR  14           HB3      TYR  14   5.614  -1.585   2.245
  100    H    GLN  15           H        GLN  15   4.807   0.269  -1.042
  101    HA   GLN  15           HA       GLN  15   2.740   1.578   0.642
  102    HB2  GLN  15           HB2      GLN  15   4.294   2.584  -1.781
  103    HB3  GLN  15           HB3      GLN  15   3.150   3.525  -0.836
  104    HG2  GLN  15           HG2      GLN  15   4.520   3.351   1.168
  105    HG3  GLN  15           HG3      GLN  15   5.660   2.267   0.373
  106   HE21  GLN  15          HE21      GLN  15   6.021   5.070   1.590
  107   HE22  GLN  15          HE22      GLN  15   6.820   5.936   0.298
  108    H    LEU  16           H        LEU  16   3.111   0.200  -2.668
  109    HA   LEU  16           HA       LEU  16   0.345   0.625  -3.425
  110    HG   LEU  16           HG       LEU  16   0.983   0.849  -5.683
  111    HB2  LEU  16           HB2      LEU  16   2.444  -1.416  -4.263
  112    HB3  LEU  16           HB3      LEU  16   0.781  -1.515  -4.801
  113   HD11  LEU  16          HD11      LEU  16   3.962   0.340  -5.296
  114   HD12  LEU  16          HD12      LEU  16   3.008   1.655  -4.561
  115   HD13  LEU  16          HD13      LEU  16   3.254   1.611  -6.307
  116   HD21  LEU  16          HD21      LEU  16   2.774  -1.295  -6.902
  117   HD22  LEU  16          HD22      LEU  16   2.072   0.098  -7.757
  118   HD23  LEU  16          HD23      LEU  16   1.014  -1.152  -7.110
  119    H    GLU  17           H        GLU  17   1.893  -2.027  -1.591
  120    HA   GLU  17           HA       GLU  17  -0.292  -3.724  -1.376
  121    HB2  GLU  17           HB2      GLU  17   2.086  -4.165  -0.712
  122    HB3  GLU  17           HB3      GLU  17   1.798  -3.257   0.782
  123    HG2  GLU  17           HG2      GLU  17   0.077  -4.900   1.446
  124    HG3  GLU  17           HG3      GLU  17   0.285  -5.745  -0.099
  125    H    ASN  18           H        ASN  18   0.166  -0.703   0.424
  126    HA   ASN  18           HA       ASN  18  -1.769  -1.204   2.482
  127    HB2  ASN  18           HB2      ASN  18  -0.260   1.159   1.377
  128    HB3  ASN  18           HB3      ASN  18  -1.667   1.463   2.352
  129   HD21  ASN  18          HD21      ASN  18   1.470  -0.375   2.448
  130   HD22  ASN  18          HD22      ASN  18   1.605  -0.252   4.187
  131    H    TYR  19           H        TYR  19  -2.174  -0.531  -0.900
  132    HA   TYR  19           HA       TYR  19  -4.998   0.355  -0.557
  133    HD1  TYR  19           HD2      TYR  19  -1.634   1.988  -1.282
  134    HD2  TYR  19           HD1      TYR  19  -5.719   2.885  -2.294
  135    HE1  TYR  19           HE2      TYR  19  -1.334   4.298  -0.431
  136    HE2  TYR  19           HE1      TYR  19  -5.427   5.203  -1.484
  137    HH   TYR  19           HH       TYR  19  -3.994   6.719  -0.530
  138    HB2  TYR  19           HB2      TYR  19  -3.010   0.497  -2.840
  139    HB3  TYR  19           HB3      TYR  19  -4.708   0.824  -3.040
  140    H    CYS  20           H        CYS  20  -3.507  -2.571  -0.694
  141    HA   CYS  20           HA       CYS  20  -5.288  -4.003  -2.498
  142    HB2  CYS  20           HB2      CYS  20  -3.783  -4.990  -0.046
  143    HB3  CYS  20           HB3      CYS  20  -4.588  -5.999  -1.244
  144    H    ASN  21           H        ASN  21  -7.006  -5.386  -1.935
  145    HA   ASN  21           HA       ASN  21  -8.926  -4.303   0.023
  146    HB2  ASN  21           HB2      ASN  21  -9.713  -4.898  -2.201
  147    HB3  ASN  21           HB3      ASN  21  -8.996  -6.492  -2.077
  148   HD21  ASN  21          HD21      ASN  21 -10.397  -8.098  -1.686
  149   HD22  ASN  21          HD22      ASN  21 -11.920  -7.901  -0.810
  150    HA   PHE   1           HA       PHE   1  10.790  -6.030  -3.360
  151    HD1  PHE   1           HD2      PHE   1  12.848  -5.701   0.392
  152    HD2  PHE   1           HD1      PHE   1  11.670  -2.171  -1.811
  153    HE1  PHE   1           HE2      PHE   1  14.513  -4.354   1.641
  154    HE2  PHE   1           HE1      PHE   1  13.340  -0.840  -0.557
  155    HZ   PHE   1           HZ       PHE   1  14.766  -1.925   1.165
  156    H1   PHE   1           H1       PHE   1  13.471  -6.174  -2.173
  157    H2   PHE   1           H2       PHE   1  12.932  -7.052  -3.440
  158    H3   PHE   1           H3       PHE   1  12.269  -7.274  -1.953
  159    HB2  PHE   1           HB2      PHE   1  10.278  -4.223  -1.834
  160    HB3  PHE   1           HB3      PHE   1  10.741  -5.638  -0.929
  161    H    VAL   2           H        VAL   2  10.432  -3.510  -3.985
  162    HA   VAL   2           HA       VAL   2  12.774  -2.250  -5.185
  163    HB   VAL   2           HB       VAL   2  12.250  -4.094  -6.784
  164   HG11  VAL   2          HG11      VAL   2  10.292  -4.002  -8.229
  165   HG12  VAL   2          HG12      VAL   2   9.801  -4.176  -6.541
  166   HG13  VAL   2          HG13      VAL   2   9.666  -2.601  -7.346
  167   HG21  VAL   2          HG21      VAL   2  11.772  -1.390  -8.068
  168   HG22  VAL   2          HG22      VAL   2  13.359  -1.977  -7.521
  169   HG23  VAL   2          HG23      VAL   2  12.478  -2.841  -8.794
  170    H    ASN   3           H        ASN   3  12.346  -0.188  -6.108
  171    HA   ASN   3           HA       ASN   3   9.643   0.951  -5.701
  172    HB2  ASN   3           HB2      ASN   3  10.576   3.015  -4.811
  173    HB3  ASN   3           HB3      ASN   3  11.103   1.667  -3.810
  174   HD21  ASN   3          HD21      ASN   3  13.372   1.094  -3.813
  175   HD22  ASN   3          HD22      ASN   3  14.566   2.145  -4.553
  176    H    GLN   4           H        GLN   4   9.048   2.612  -7.115
  177    HA   GLN   4           HA       GLN   4  10.602   2.919  -9.642
  178    HB2  GLN   4           HB2      GLN   4   7.878   1.547  -9.393
  179    HB3  GLN   4           HB3      GLN   4   8.644   2.005 -10.915
  180    HG2  GLN   4           HG2      GLN   4  10.550   0.448 -10.376
  181    HG3  GLN   4           HG3      GLN   4   9.632  -0.107  -8.961
  182   HE21  GLN   4          HE21      GLN   4   7.400  -1.059  -9.390
  183   HE22  GLN   4          HE22      GLN   4   7.196  -1.913 -10.909
  184    H    HIS   5           H        HIS   5   9.414   4.269 -11.226
  185    HA   HIS   5           HA       HIS   5   7.376   6.133 -10.115
  186    HD1  HIS   5           HD1      HIS   5   8.170   8.670  -9.998
  187    HD2  HIS   5           HD2      HIS   5  11.070   7.252 -12.704
  188    HE1  HIS   5           HE1      HIS   5  10.147  10.246  -9.804
  189    HB2  HIS   5           HB2      HIS   5   8.791   6.016 -12.813
  190    HB3  HIS   5           HB3      HIS   5   7.473   7.109 -12.424
  191    H    LEU   6           H        LEU   6   5.232   5.853 -10.714
  192    HA   LEU   6           HA       LEU   6   4.416   3.869 -12.727
  193    HG   LEU   6           HG       LEU   6   5.861   2.339 -10.461
  194    HB2  LEU   6           HB2      LEU   6   3.783   3.598  -9.753
  195    HB3  LEU   6           HB3      LEU   6   2.903   2.778 -11.016
  196   HD11  LEU   6          HD11      LEU   6   5.117   0.230  -9.410
  197   HD12  LEU   6          HD12      LEU   6   3.424   0.729  -9.614
  198   HD13  LEU   6          HD13      LEU   6   4.508   1.648  -8.544
  199   HD21  LEU   6          HD21      LEU   6   5.540   0.305 -11.838
  200   HD22  LEU   6          HD22      LEU   6   5.192   1.752 -12.787
  201   HD23  LEU   6          HD23      LEU   6   3.856   0.771 -12.153
  202    H    CYS   7           H        CYS   7   2.495   4.456 -13.654
  203    HA   CYS   7           HA       CYS   7   0.754   6.507 -12.368
  204    HB2  CYS   7           HB2      CYS   7   1.865   6.633 -15.199
  205    HB3  CYS   7           HB3      CYS   7   0.683   7.742 -14.522
  206    H    GLY   8           H        GLY   8  -1.374   6.326 -12.930
  207    HA2  GLY   8           HA2      GLY   8  -3.364   5.476 -13.799
  208    HA3  GLY   8           HA3      GLY   8  -2.467   5.557 -15.309
  209    H    SER   9           H        SER   9  -2.800   3.787 -16.456
  210    HA   SER   9           HA       SER   9  -3.820   1.326 -15.499
  211    HG   SER   9           HG       SER   9  -4.346   2.204 -18.944
  212    HB2  SER   9           HB2      SER   9  -2.236   1.827 -18.051
  213    HB3  SER   9           HB3      SER   9  -3.359   0.491 -17.745
  214    H    HIS  10           H        HIS  10  -0.422   2.328 -16.047
  215    HA   HIS  10           HA       HIS  10   0.718  -0.310 -15.677
  216    HD1  HIS  10           HD1      HIS  10   2.428   3.744 -17.530
  217    HD2  HIS  10           HD2      HIS  10   1.325  -0.277 -18.089
  218    HE1  HIS  10           HE1      HIS  10   2.184   3.412 -20.042
  219    HB2  HIS  10           HB2      HIS  10   1.950   2.451 -15.328
  220    HB3  HIS  10           HB3      HIS  10   2.828   0.938 -15.547
  221    H    LEU  11           H        LEU  11   0.032   2.416 -13.447
  222    HA   LEU  11           HA       LEU  11   1.077   1.147 -11.068
  223    HG   LEU  11           HG       LEU  11   0.259   2.200  -8.981
  224    HB2  LEU  11           HB2      LEU  11   0.689   3.547 -11.256
  225    HB3  LEU  11           HB3      LEU  11  -1.039   3.327 -11.470
  226   HD11  LEU  11          HD11      LEU  11   1.190   4.435  -9.142
  227   HD12  LEU  11          HD12      LEU  11  -0.056   4.428  -7.883
  228   HD13  LEU  11          HD13      LEU  11  -0.411   5.120  -9.483
  229   HD21  LEU  11          HD21      LEU  11  -2.471   3.443  -9.593
  230   HD22  LEU  11          HD22      LEU  11  -1.936   2.969  -7.969
  231   HD23  LEU  11          HD23      LEU  11  -2.148   1.748  -9.217
  232    H    VAL  12           H        VAL  12  -2.196   1.269 -12.523
  233    HA   VAL  12           HA       VAL  12  -3.443  -0.384 -10.574
  234    HB   VAL  12           HB       VAL  12  -4.136   0.211 -13.461
  235   HG11  VAL  12          HG11      VAL  12  -5.161  -1.976 -13.079
  236   HG12  VAL  12          HG12      VAL  12  -5.794  -1.435 -11.508
  237   HG13  VAL  12          HG13      VAL  12  -6.410  -0.732 -13.021
  238   HG21  VAL  12          HG21      VAL  12  -5.436   1.002 -10.812
  239   HG22  VAL  12          HG22      VAL  12  -4.353   2.035 -11.758
  240   HG23  VAL  12          HG23      VAL  12  -5.919   1.560 -12.431
  241    H    GLU  13           H        GLU  13  -1.679  -1.381 -13.544
  242    HA   GLU  13           HA       GLU  13  -2.123  -4.200 -13.201
  243    HB2  GLU  13           HB2      GLU  13  -0.066  -2.532 -14.688
  244    HB3  GLU  13           HB3      GLU  13   0.045  -4.283 -14.616
  245    HG2  GLU  13           HG2      GLU  13  -2.229  -4.506 -15.570
  246    HG3  GLU  13           HG3      GLU  13  -2.345  -2.750 -15.710
  247    H    ALA  14           H        ALA  14   0.617  -2.068 -12.095
  248    HA   ALA  14           HA       ALA  14   2.079  -4.148 -10.803
  249    HB1  ALA  14           HB1      ALA  14   1.892  -1.170 -10.165
  250    HB2  ALA  14           HB2      ALA  14   3.166  -2.277  -9.608
  251    HB3  ALA  14           HB3      ALA  14   2.994  -1.918 -11.342
  252    H    LEU  15           H        LEU  15  -0.481  -1.994  -9.546
  253    HA   LEU  15           HA       LEU  15  -0.539  -2.947  -6.872
  254    HG   LEU  15           HG       LEU  15  -3.690  -2.614  -6.523
  255    HB2  LEU  15           HB2      LEU  15  -1.532  -0.837  -7.724
  256    HB3  LEU  15           HB3      LEU  15  -2.735  -1.759  -8.625
  257   HD11  LEU  15          HD11      LEU  15  -1.717  -2.560  -5.024
  258   HD12  LEU  15          HD12      LEU  15  -3.032  -1.598  -4.351
  259   HD13  LEU  15          HD13      LEU  15  -1.666  -0.783  -5.144
  260   HD21  LEU  15          HD21      LEU  15  -4.529  -0.536  -7.568
  261   HD22  LEU  15          HD22      LEU  15  -3.381   0.424  -6.610
  262   HD23  LEU  15          HD23      LEU  15  -4.685  -0.470  -5.801
  263    H    TYR  16           H        TYR  16  -2.533  -3.979  -9.697
  264    HA   TYR  16           HA       TYR  16  -3.889  -6.120  -8.456
  265    HD1  TYR  16           HD2      TYR  16  -5.676  -7.562  -9.521
  266    HD2  TYR  16           HD1      TYR  16  -2.601  -7.653 -12.547
  267    HE1  TYR  16           HE2      TYR  16  -6.372  -9.859 -10.155
  268    HE2  TYR  16           HE1      TYR  16  -3.296  -9.952 -13.183
  269    HH   TYR  16           HH       TYR  16  -5.979 -11.673 -11.520
  270    HB2  TYR  16           HB2      TYR  16  -4.490  -5.364 -10.672
  271    HB3  TYR  16           HB3      TYR  16  -2.890  -5.712 -11.291
  272    H    LEU  17           H        LEU  17  -0.602  -6.103  -9.858
  273    HA   LEU  17           HA       LEU  17  -0.156  -8.941  -9.343
  274    HG   LEU  17           HG       LEU  17   0.073  -7.528 -11.887
  275    HB2  LEU  17           HB2      LEU  17   1.683  -6.644 -10.104
  276    HB3  LEU  17           HB3      LEU  17   2.258  -8.294  -9.899
  277   HD11  LEU  17          HD11      LEU  17   3.059  -7.929 -12.356
  278   HD12  LEU  17          HD12      LEU  17   2.179  -6.391 -12.456
  279   HD13  LEU  17          HD13      LEU  17   1.822  -7.681 -13.614
  280   HD21  LEU  17          HD21      LEU  17   1.742 -10.055 -11.573
  281   HD22  LEU  17          HD22      LEU  17   0.640  -9.719 -12.923
  282   HD23  LEU  17          HD23      LEU  17  -0.006  -9.905 -11.294
  283    H    VAL  18           H        VAL  18   0.625  -6.020  -7.516
  284    HA   VAL  18           HA       VAL  18   2.087  -7.341  -5.404
  285    HB   VAL  18           HB       VAL  18   0.527  -4.739  -5.496
  286   HG11  VAL  18          HG11      VAL  18   0.381  -5.398  -3.154
  287   HG12  VAL  18          HG12      VAL  18   2.115  -5.809  -3.124
  288   HG13  VAL  18          HG13      VAL  18   1.585  -4.123  -3.328
  289   HG21  VAL  18          HG21      VAL  18   2.746  -4.900  -6.718
  290   HG22  VAL  18          HG22      VAL  18   2.759  -3.723  -5.394
  291   HG23  VAL  18          HG23      VAL  18   3.515  -5.314  -5.182
  292    H    CYS  19           H        CYS  19  -1.396  -6.581  -5.775
  293    HA   CYS  19           HA       CYS  19  -2.065  -7.769  -3.197
  294    HB2  CYS  19           HB2      CYS  19  -3.871  -6.841  -5.462
  295    HB3  CYS  19           HB3      CYS  19  -4.351  -7.147  -3.788
  296    H    GLY  20           H        GLY  20  -2.155  -8.943  -6.532
  297    HA2  GLY  20           HA2      GLY  20  -2.594 -11.052  -7.395
  298    HA3  GLY  20           HA3      GLY  20  -2.631 -11.698  -5.746
  299    H    GLU  21           H        GLU  21  -4.434 -12.954  -6.027
  300    HA   GLU  21           HA       GLU  21  -6.896 -12.109  -7.225
  301    HB2  GLU  21           HB2      GLU  21  -6.242 -14.429  -5.361
  302    HB3  GLU  21           HB3      GLU  21  -7.781 -14.223  -6.205
  303    HG2  GLU  21           HG2      GLU  21  -6.607 -14.265  -8.395
  304    HG3  GLU  21           HG3      GLU  21  -5.065 -14.526  -7.564
  305    H    ARG  22           H        ARG  22  -5.658 -11.179  -4.209
  306    HA   ARG  22           HA       ARG  22  -7.952 -11.115  -2.528
  307    HE   ARG  22           HE       ARG  22  -3.532 -11.477   0.972
  308    HB2  ARG  22           HB2      ARG  22  -5.601  -9.178  -2.695
  309    HB3  ARG  22           HB3      ARG  22  -6.736  -9.301  -1.353
  310    HG2  ARG  22           HG2      ARG  22  -5.993 -11.581  -0.848
  311    HG3  ARG  22           HG3      ARG  22  -4.893 -11.563  -2.234
  312    HD2  ARG  22           HD2      ARG  22  -3.713  -9.577  -1.213
  313    HD3  ARG  22           HD3      ARG  22  -4.778  -9.712   0.184
  314   HH11  ARG  22          HH11      ARG  22  -2.598 -11.042  -2.426
  315   HH12  ARG  22          HH12      ARG  22  -1.261 -12.151  -2.274
  316   HH21  ARG  22          HH21      ARG  22  -1.814 -12.909   1.068
  317   HH22  ARG  22          HH22      ARG  22  -0.845 -13.208  -0.342
  318    H    GLY  23           H        GLY  23  -6.984  -8.975  -5.165
  319    HA2  GLY  23           HA2      GLY  23  -8.236  -7.300  -6.260
  320    HA3  GLY  23           HA3      GLY  23  -9.441  -7.317  -4.955
  321    H    PHE  24           H        PHE  24  -8.909  -4.933  -5.675
  322    HA   PHE  24           HA       PHE  24  -7.323  -3.654  -3.564
  323    HD1  PHE  24           HD1      PHE  24  -6.951  -1.256  -7.002
  324    HD2  PHE  24           HD2      PHE  24  -6.205  -5.496  -7.236
  325    HE1  PHE  24           HE1      PHE  24  -7.393  -1.195  -9.446
  326    HE2  PHE  24           HE2      PHE  24  -6.675  -5.435  -9.673
  327    HZ   PHE  24           HZ       PHE  24  -7.260  -3.290 -10.780
  328    HB2  PHE  24           HB2      PHE  24  -5.835  -2.497  -5.130
  329    HB3  PHE  24           HB3      PHE  24  -5.612  -4.226  -5.226
  330    H    PHE  25           H        PHE  25  -7.358  -1.296  -3.711
  331    HA   PHE  25           HA       PHE  25  -9.592  -0.078  -5.267
  332    HD1  PHE  25           HD1      PHE  25 -11.879   1.008  -4.597
  333    HD2  PHE  25           HD2      PHE  25  -9.106   2.519  -1.667
  334    HE1  PHE  25           HE1      PHE  25 -13.118   3.157  -4.532
  335    HE2  PHE  25           HE2      PHE  25 -10.357   4.659  -1.586
  336    HZ   PHE  25           HZ       PHE  25 -12.366   4.982  -3.018
  337    HB2  PHE  25           HB2      PHE  25 -10.420  -0.503  -2.994
  338    HB3  PHE  25           HB3      PHE  25  -8.997   0.247  -2.293
  339    H    TYR  26           H        TYR  26  -8.194   0.881  -6.735
  340    HA   TYR  26           HA       TYR  26  -5.589   1.769  -6.006
  341    HD1  TYR  26           HD2      TYR  26  -8.809   1.091  -8.817
  342    HD2  TYR  26           HD1      TYR  26  -5.958   4.297  -9.238
  343    HE1  TYR  26           HE2      TYR  26 -10.414   2.318 -10.258
  344    HE2  TYR  26           HE1      TYR  26  -7.563   5.533 -10.690
  345    HH   TYR  26           HH       TYR  26 -10.800   4.208 -11.504
  346    HB2  TYR  26           HB2      TYR  26  -5.293   2.189  -8.286
  347    HB3  TYR  26           HB3      TYR  26  -6.373   0.819  -8.224
  348    H    THR  27           H        THR  27  -8.563   3.524  -5.935
  349    HA   THR  27           HA       THR  27  -7.851   6.113  -6.623
  350    HB   THR  27           HB       THR  27  -9.792   5.299  -4.441
  351    HG1  THR  27           HG1      THR  27 -11.246   5.151  -6.187
  352   HG21  THR  27          HG21      THR  27  -9.470   7.759  -4.582
  353   HG22  THR  27          HG22      THR  27 -11.064   7.291  -5.177
  354   HG23  THR  27          HG23      THR  27  -9.779   7.702  -6.331
  355    HA   PRO  28           HA       PRO  28  -4.765   6.803  -3.571
  356    HB2  PRO  28           HB2      PRO  28  -4.153   9.461  -3.953
  357    HB3  PRO  28           HB3      PRO  28  -3.785   8.186  -5.149
  358    HG2  PRO  28           HG2      PRO  28  -6.184  10.046  -5.077
  359    HG3  PRO  28           HG3      PRO  28  -5.094   9.715  -6.456
  360    HD2  PRO  28           HD2      PRO  28  -7.450   8.410  -6.198
  361    HD3  PRO  28           HD3      PRO  28  -5.993   7.541  -6.766
  362    H    LYS  29           H        LYS  29  -7.665   8.804  -3.365
  363    HA   LYS  29           HA       LYS  29  -7.005   9.561  -0.543
  364    HB2  LYS  29           HB2      LYS  29  -6.561  11.148  -2.613
  365    HB3  LYS  29           HB3      LYS  29  -8.292  11.457  -2.527
  366    HG2  LYS  29           HG2      LYS  29  -8.066  12.295  -0.234
  367    HG3  LYS  29           HG3      LYS  29  -6.368  11.800  -0.175
  368    HD2  LYS  29           HD2      LYS  29  -7.501  13.901  -2.084
  369    HD3  LYS  29           HD3      LYS  29  -6.685  14.253  -0.555
  370    HE2  LYS  29           HE2      LYS  29  -4.636  13.101  -1.382
  371    HE3  LYS  29           HE3      LYS  29  -5.437  12.773  -2.919
  372    HZ1  LYS  29           HZ1      LYS  29  -4.084  14.675  -3.154
  373    HZ2  LYS  29           HZ2      LYS  29  -4.762  15.452  -1.863
  374    HZ3  LYS  29           HZ3      LYS  29  -5.633  15.200  -3.226
  375    H    THR  30           H        THR  30  -9.200   7.966  -2.322
  376    HA   THR  30           HA       THR  30 -11.197   6.994  -1.919
  377    HB   THR  30           HB       THR  30 -11.466   8.561   0.662
  378    HG1  THR  30           HG1      THR  30 -10.509   6.721   1.554
  379   HG21  THR  30          HG21      THR  30 -12.700   5.943  -0.328
  380   HG22  THR  30          HG22      THR  30 -13.557   7.476  -0.055
  381   HG23  THR  30          HG23      THR  30 -12.859   6.603   1.315
  Start of MODEL   34
    1    H1   GLY   1           H1       GLY   1  -5.781   8.307  -0.998
    2    H2   GLY   1           H2       GLY   1  -4.379   9.042  -1.431
    3    H3   GLY   1           H3       GLY   1  -4.355   7.537  -0.787
    4    HA2  GLY   1           HA2      GLY   1  -5.496   6.621  -2.706
    5    HA3  GLY   1           HA3      GLY   1  -5.567   8.253  -3.383
    6    H    ILE   2           H        ILE   2  -3.790   5.394  -3.442
    7    HA   ILE   2           HA       ILE   2  -1.127   6.234  -3.255
    8    HB   ILE   2           HB       ILE   2  -1.758   3.950  -3.009
    9   HG12  ILE   2          HG12      ILE   2   0.077   4.060  -5.397
   10   HG13  ILE   2          HG13      ILE   2   0.549   4.551  -3.759
   11   HG21  ILE   2          HG21      ILE   2  -2.448   2.482  -4.850
   12   HG22  ILE   2          HG22      ILE   2  -3.593   3.800  -4.699
   13   HG23  ILE   2          HG23      ILE   2  -2.385   3.836  -5.998
   14   HD11  ILE   2          HD11      ILE   2  -0.302   1.771  -4.645
   15   HD12  ILE   2          HD12      ILE   2   1.299   2.297  -4.109
   16   HD13  ILE   2          HD13      ILE   2  -0.034   2.249  -2.945
   17    H    VAL   3           H        VAL   3  -3.108   6.582  -6.129
   18    HA   VAL   3           HA       VAL   3  -1.098   7.103  -8.053
   19    HB   VAL   3           HB       VAL   3  -3.765   8.492  -7.631
   20   HG11  VAL   3          HG11      VAL   3  -2.451  10.012  -9.025
   21   HG12  VAL   3          HG12      VAL   3  -1.901   8.661 -10.047
   22   HG13  VAL   3          HG13      VAL   3  -3.603   9.166 -10.053
   23   HG21  VAL   3          HG21      VAL   3  -2.961   6.393  -9.694
   24   HG22  VAL   3          HG22      VAL   3  -3.801   6.019  -8.181
   25   HG23  VAL   3          HG23      VAL   3  -4.586   7.036  -9.395
   26    H    GLU   4           H        GLU   4  -2.211   9.227  -5.373
   27    HA   GLU   4           HA       GLU   4  -0.570  11.460  -6.308
   28    HB2  GLU   4           HB2      GLU   4  -2.868  11.539  -5.096
   29    HB3  GLU   4           HB3      GLU   4  -1.948  11.275  -3.610
   30    HG2  GLU   4           HG2      GLU   4  -0.684  13.358  -4.010
   31    HG3  GLU   4           HG3      GLU   4  -1.433  13.536  -5.598
   32    H    GLN   5           H        GLN   5   0.330   8.619  -4.911
   33    HA   GLN   5           HA       GLN   5   2.752   9.858  -3.656
   34    HB2  GLN   5           HB2      GLN   5   1.523   8.274  -2.152
   35    HB3  GLN   5           HB3      GLN   5   1.601   7.038  -3.395
   36    HG2  GLN   5           HG2      GLN   5   3.280   6.471  -1.883
   37    HG3  GLN   5           HG3      GLN   5   4.153   7.155  -3.241
   38   HE21  GLN   5          HE21      GLN   5   4.855   6.874  -0.279
   39   HE22  GLN   5          HE22      GLN   5   5.299   8.518   0.186
   40    H    CYS   6           H        CYS   6   1.800   6.987  -5.657
   41    HA   CYS   6           HA       CYS   6   4.453   6.523  -6.556
   42    HB2  CYS   6           HB2      CYS   6   1.722   5.693  -7.594
   43    HB3  CYS   6           HB3      CYS   6   3.225   5.095  -8.270
   44    H    CYS   7           H        CYS   7   2.049   8.670  -7.942
   45    HA   CYS   7           HA       CYS   7   3.294   8.539 -10.614
   46    HB2  CYS   7           HB2      CYS   7   0.791   8.721 -10.114
   47    HB3  CYS   7           HB3      CYS   7   1.081  10.397  -9.657
   48    H    THR   8           H        THR   8   3.239  10.792  -7.900
   49    HA   THR   8           HA       THR   8   4.836  12.846  -9.353
   50    HB   THR   8           HB       THR   8   4.191  14.237  -7.329
   51    HG1  THR   8           HG1      THR   8   2.502  13.393  -6.076
   52   HG21  THR   8          HG21      THR   8   1.868  13.083  -8.949
   53   HG22  THR   8          HG22      THR   8   2.966  14.371  -9.497
   54   HG23  THR   8          HG23      THR   8   1.907  14.649  -8.104
   55    H    SER   9           H        SER   9   4.943  10.745  -6.492
   56    HA   SER   9           HA       SER   9   7.847  11.398  -6.163
   57    HG   SER   9           HG       SER   9   7.786  11.055  -2.721
   58    HB2  SER   9           HB2      SER   9   6.314  11.955  -4.202
   59    HB3  SER   9           HB3      SER   9   6.028  10.210  -4.042
   60    H    ILE  10           H        ILE  10   8.594   9.207  -4.768
   61    HA   ILE  10           HA       ILE  10   8.253   6.944  -6.703
   62    HB   ILE  10           HB       ILE  10  10.554   7.874  -6.216
   63   HG12  ILE  10          HG12      ILE  10  10.045   4.934  -5.679
   64   HG13  ILE  10          HG13      ILE  10  10.170   5.731  -7.252
   65   HG21  ILE  10          HG21      ILE  10  11.691   7.341  -4.144
   66   HG22  ILE  10          HG22      ILE  10  10.207   8.202  -3.726
   67   HG23  ILE  10          HG23      ILE  10  10.293   6.439  -3.532
   68   HD11  ILE  10          HD11      ILE  10  12.529   6.363  -6.724
   69   HD12  ILE  10          HD12      ILE  10  12.414   5.399  -5.231
   70   HD13  ILE  10          HD13      ILE  10  12.250   4.617  -6.807
   71    H    CYS  11           H        CYS  11   7.583   4.883  -5.983
   72    HA   CYS  11           HA       CYS  11   6.806   4.638  -3.115
   73    HB2  CYS  11           HB2      CYS  11   4.657   3.699  -3.678
   74    HB3  CYS  11           HB3      CYS  11   4.812   5.293  -4.392
   75    H    SER  12           H        SER  12   6.474   2.477  -2.383
   76    HA   SER  12           HA       SER  12   8.338   0.520  -3.677
   77    HG   SER  12           HG       SER  12   7.592   0.570   0.340
   78    HB2  SER  12           HB2      SER  12   8.552  -0.434  -1.436
   79    HB3  SER  12           HB3      SER  12   8.968   1.291  -1.428
   80    H    LEU  13           H        LEU  13   7.777  -1.758  -3.586
   81    HA   LEU  13           HA       LEU  13   5.081  -2.411  -4.286
   82    HG   LEU  13           HG       LEU  13   8.129  -3.155  -5.300
   83    HB2  LEU  13           HB2      LEU  13   7.324  -4.183  -3.237
   84    HB3  LEU  13           HB3      LEU  13   5.854  -4.731  -4.018
   85   HD11  LEU  13          HD11      LEU  13   8.471  -5.601  -4.918
   86   HD12  LEU  13          HD12      LEU  13   8.437  -5.175  -6.641
   87   HD13  LEU  13          HD13      LEU  13   7.025  -5.937  -5.884
   88   HD21  LEU  13          HD21      LEU  13   6.054  -2.342  -6.330
   89   HD22  LEU  13          HD22      LEU  13   5.492  -4.013  -6.570
   90   HD23  LEU  13          HD23      LEU  13   6.905  -3.411  -7.457
   91    H    TYR  14           H        TYR  14   6.750  -2.364  -1.179
   92    HA   TYR  14           HA       TYR  14   4.656  -3.578   0.352
   93    HD1  TYR  14           HD2      TYR  14   5.180  -4.577   2.688
   94    HD2  TYR  14           HD1      TYR  14   6.117  -0.379   3.059
   95    HE1  TYR  14           HE2      TYR  14   4.281  -4.579   5.010
   96    HE2  TYR  14           HE1      TYR  14   5.227  -0.381   5.372
   97    HH   TYR  14           HH       TYR  14   4.248  -1.637   7.058
   98    HB2  TYR  14           HB2      TYR  14   6.946  -3.297   1.180
   99    HB3  TYR  14           HB3      TYR  14   6.785  -1.546   1.117
  100    H    GLN  15           H        GLN  15   5.012  -0.286  -0.892
  101    HA   GLN  15           HA       GLN  15   2.771   0.787   0.716
  102    HB2  GLN  15           HB2      GLN  15   4.424   1.907  -1.577
  103    HB3  GLN  15           HB3      GLN  15   2.967   2.698  -0.993
  104    HG2  GLN  15           HG2      GLN  15   3.855   3.019   1.209
  105    HG3  GLN  15           HG3      GLN  15   5.234   1.973   0.902
  106   HE21  GLN  15          HE21      GLN  15   7.026   2.775  -0.313
  107   HE22  GLN  15          HE22      GLN  15   7.184   4.508  -0.629
  108    H    LEU  16           H        LEU  16   3.276  -0.537  -2.602
  109    HA   LEU  16           HA       LEU  16   0.506  -0.329  -3.382
  110    HG   LEU  16           HG       LEU  16   1.176   0.034  -5.586
  111    HB2  LEU  16           HB2      LEU  16   2.790  -2.162  -4.226
  112    HB3  LEU  16           HB3      LEU  16   1.151  -2.403  -4.792
  113   HD11  LEU  16          HD11      LEU  16   3.368   0.943  -6.231
  114   HD12  LEU  16          HD12      LEU  16   4.186  -0.360  -5.351
  115   HD13  LEU  16          HD13      LEU  16   3.217   0.854  -4.476
  116   HD21  LEU  16          HD21      LEU  16   3.037  -1.991  -6.904
  117   HD22  LEU  16          HD22      LEU  16   2.258  -0.614  -7.705
  118   HD23  LEU  16          HD23      LEU  16   1.269  -1.938  -7.072
  119    H    GLU  17           H        GLU  17   2.234  -2.893  -1.566
  120    HA   GLU  17           HA       GLU  17  -0.024  -4.575  -1.350
  121    HB2  GLU  17           HB2      GLU  17   2.306  -5.301  -1.010
  122    HB3  GLU  17           HB3      GLU  17   2.347  -4.450   0.549
  123    HG2  GLU  17           HG2      GLU  17   0.634  -5.897   1.459
  124    HG3  GLU  17           HG3      GLU  17   0.240  -6.532  -0.142
  125    H    ASN  18           H        ASN  18   0.950  -1.810   0.702
  126    HA   ASN  18           HA       ASN  18  -1.041  -2.216   2.747
  127    HB2  ASN  18           HB2      ASN  18   0.816  -0.032   1.837
  128    HB3  ASN  18           HB3      ASN  18  -0.574   0.423   2.798
  129   HD21  ASN  18          HD21      ASN  18   2.329  -1.700   2.810
  130   HD22  ASN  18          HD22      ASN  18   2.412  -1.799   4.563
  131    H    TYR  19           H        TYR  19  -1.342  -1.286  -0.556
  132    HA   TYR  19           HA       TYR  19  -4.069  -0.164  -0.147
  133    HD1  TYR  19           HD1      TYR  19  -1.221   1.723  -0.421
  134    HD2  TYR  19           HD2      TYR  19  -4.999   2.084  -2.445
  135    HE1  TYR  19           HE1      TYR  19  -1.381   4.080   0.333
  136    HE2  TYR  19           HE2      TYR  19  -5.196   4.442  -1.660
  137    HH   TYR  19           HH       TYR  19  -2.649   6.007   0.331
  138    HB2  TYR  19           HB2      TYR  19  -1.999   0.093  -2.306
  139    HB3  TYR  19           HB3      TYR  19  -3.681   0.153  -2.772
  140    H    CYS  20           H        CYS  20  -2.801  -3.238  -0.465
  141    HA   CYS  20           HA       CYS  20  -4.955  -4.392  -2.067
  142    HB2  CYS  20           HB2      CYS  20  -3.420  -5.670   0.199
  143    HB3  CYS  20           HB3      CYS  20  -4.399  -6.484  -1.029
  144    H    ASN  21           H        ASN  21  -6.928  -5.283  -1.290
  145    HA   ASN  21           HA       ASN  21  -7.942  -4.116   1.255
  146    HB2  ASN  21           HB2      ASN  21 -10.154  -4.494   0.427
  147    HB3  ASN  21           HB3      ASN  21  -9.224  -3.674  -0.818
  148   HD21  ASN  21          HD21      ASN  21  -9.911  -7.032   0.188
  149   HD22  ASN  21          HD22      ASN  21 -10.062  -7.648  -1.466
  150    HA   PHE   1           HA       PHE   1  12.365  -6.066  -6.970
  151    HD1  PHE   1           HD2      PHE   1  10.140  -7.243  -6.913
  152    HD2  PHE   1           HD1      PHE   1  11.652  -7.849  -2.912
  153    HE1  PHE   1           HE2      PHE   1   9.094  -9.494  -6.855
  154    HE2  PHE   1           HE1      PHE   1  10.593 -10.096  -2.859
  155    HZ   PHE   1           HZ       PHE   1   9.316 -10.921  -4.828
  156    H1   PHE   1           H1       PHE   1  14.570  -6.779  -6.432
  157    H2   PHE   1           H2       PHE   1  13.485  -7.794  -5.730
  158    H3   PHE   1           H3       PHE   1  14.273  -6.682  -4.822
  159    HB2  PHE   1           HB2      PHE   1  12.001  -5.769  -3.960
  160    HB3  PHE   1           HB3      PHE   1  10.849  -5.286  -5.183
  161    H    VAL   2           H        VAL   2  11.679  -3.729  -6.964
  162    HA   VAL   2           HA       VAL   2  13.588  -1.825  -5.747
  163    HB   VAL   2           HB       VAL   2  13.833  -0.545  -7.856
  164   HG11  VAL   2          HG11      VAL   2  15.624  -1.843  -8.815
  165   HG12  VAL   2          HG12      VAL   2  15.634  -2.047  -7.055
  166   HG13  VAL   2          HG13      VAL   2  14.997  -3.339  -8.105
  167   HG21  VAL   2          HG21      VAL   2  11.939  -1.427  -9.173
  168   HG22  VAL   2          HG22      VAL   2  13.458  -1.602 -10.044
  169   HG23  VAL   2          HG23      VAL   2  12.732  -3.018  -9.265
  170    H    ASN   3           H        ASN   3  12.853   0.271  -5.572
  171    HA   ASN   3           HA       ASN   3   9.932   0.737  -5.632
  172    HB2  ASN   3           HB2      ASN   3  12.281   2.522  -4.840
  173    HB3  ASN   3           HB3      ASN   3  10.583   2.927  -4.630
  174   HD21  ASN   3          HD21      ASN   3  12.152   3.083  -2.429
  175   HD22  ASN   3          HD22      ASN   3  11.789   1.749  -1.346
  176    H    GLN   4           H        GLN   4   8.946   2.460  -6.824
  177    HA   GLN   4           HA       GLN   4  10.353   3.255  -9.344
  178    HB2  GLN   4           HB2      GLN   4   7.865   1.492  -9.135
  179    HB3  GLN   4           HB3      GLN   4   8.413   2.273 -10.624
  180    HG2  GLN   4           HG2      GLN   4  10.569   1.019 -10.483
  181    HG3  GLN   4           HG3      GLN   4   9.957   0.164  -9.060
  182   HE21  GLN   4          HE21      GLN   4   7.955  -1.217  -9.349
  183   HE22  GLN   4          HE22      GLN   4   7.697  -1.908 -10.944
  184    H    HIS   5           H        HIS   5   9.173   4.749 -10.652
  185    HA   HIS   5           HA       HIS   5   6.906   6.205  -9.380
  186    HD1  HIS   5           HD1      HIS   5   7.676   8.834  -8.813
  187    HD2  HIS   5           HD2      HIS   5  10.755   7.616 -11.409
  188    HE1  HIS   5           HE1      HIS   5   9.736  10.169  -8.150
  189    HB2  HIS   5           HB2      HIS   5   8.396   6.691 -11.998
  190    HB3  HIS   5           HB3      HIS   5   7.054   7.652 -11.385
  191    H    LEU   6           H        LEU   6   4.843   5.791 -10.104
  192    HA   LEU   6           HA       LEU   6   4.319   3.950 -12.368
  193    HG   LEU   6           HG       LEU   6   5.895   2.498 -10.082
  194    HB2  LEU   6           HB2      LEU   6   3.620   3.381  -9.448
  195    HB3  LEU   6           HB3      LEU   6   2.932   2.523 -10.806
  196   HD11  LEU   6          HD11      LEU   6   5.448   0.229  -9.215
  197   HD12  LEU   6          HD12      LEU   6   3.709   0.449  -9.525
  198   HD13  LEU   6          HD13      LEU   6   4.537   1.455  -8.319
  199   HD21  LEU   6          HD21      LEU   6   4.260   0.759 -12.002
  200   HD22  LEU   6          HD22      LEU   6   5.982   0.548 -11.615
  201   HD23  LEU   6          HD23      LEU   6   5.446   1.982 -12.493
  202    H    CYS   7           H        CYS   7   2.354   4.433 -13.318
  203    HA   CYS   7           HA       CYS   7   0.282   5.900 -11.885
  204    HB2  CYS   7           HB2      CYS   7   2.182   7.527 -12.533
  205    HB3  CYS   7           HB3      CYS   7   1.615   7.355 -14.187
  206    H    GLY   8           H        GLY   8  -1.594   6.274 -13.130
  207    HA2  GLY   8           HA2      GLY   8  -3.296   5.592 -14.584
  208    HA3  GLY   8           HA3      GLY   8  -2.027   5.400 -15.797
  209    H    SER   9           H        SER   9  -2.584   3.532 -16.754
  210    HA   SER   9           HA       SER   9  -3.731   1.223 -15.494
  211    HG   SER   9           HG       SER   9  -2.338   1.632 -19.325
  212    HB2  SER   9           HB2      SER   9  -3.123   0.158 -17.703
  213    HB3  SER   9           HB3      SER   9  -4.101   1.630 -17.819
  214    H    HIS  10           H        HIS  10  -0.375   2.216 -16.062
  215    HA   HIS  10           HA       HIS  10   0.914  -0.266 -15.587
  216    HD1  HIS  10           HD1      HIS  10   1.392   4.202 -16.549
  217    HD2  HIS  10           HD2      HIS  10   2.418   0.429 -18.090
  218    HE1  HIS  10           HE1      HIS  10   1.525   4.475 -19.092
  219    HB2  HIS  10           HB2      HIS  10   1.983   2.449 -14.754
  220    HB3  HIS  10           HB3      HIS  10   2.893   1.045 -15.294
  221    H    LEU  11           H        LEU  11  -0.127   2.277 -13.277
  222    HA   LEU  11           HA       LEU  11   0.857   0.866 -10.930
  223    HG   LEU  11           HG       LEU  11  -1.452   2.246  -9.033
  224    HB2  LEU  11           HB2      LEU  11   0.620   3.295 -10.998
  225    HB3  LEU  11           HB3      LEU  11  -1.103   3.170 -11.278
  226   HD11  LEU  11          HD11      LEU  11   0.376   2.149  -7.364
  227   HD12  LEU  11          HD12      LEU  11   1.558   2.511  -8.632
  228   HD13  LEU  11          HD13      LEU  11   0.639   0.989  -8.660
  229   HD21  LEU  11          HD21      LEU  11   0.308   4.733  -9.032
  230   HD22  LEU  11          HD22      LEU  11  -0.810   4.255  -7.733
  231   HD23  LEU  11          HD23      LEU  11  -1.435   4.692  -9.330
  232    H    VAL  12           H        VAL  12  -2.319   1.127 -12.532
  233    HA   VAL  12           HA       VAL  12  -3.780  -0.527 -10.724
  234    HB   VAL  12           HB       VAL  12  -4.147  -0.200 -13.723
  235   HG11  VAL  12          HG11      VAL  12  -6.470  -1.019 -13.403
  236   HG12  VAL  12          HG12      VAL  12  -5.290  -2.280 -13.045
  237   HG13  VAL  12          HG13      VAL  12  -6.093  -1.412 -11.714
  238   HG21  VAL  12          HG21      VAL  12  -4.451   1.882 -12.432
  239   HG22  VAL  12          HG22      VAL  12  -5.989   1.316 -13.088
  240   HG23  VAL  12          HG23      VAL  12  -5.612   1.065 -11.364
  241    H    GLU  13           H        GLU  13  -1.813  -1.490 -13.568
  242    HA   GLU  13           HA       GLU  13  -2.217  -4.310 -13.304
  243    HB2  GLU  13           HB2      GLU  13  -1.389  -3.094 -15.321
  244    HB3  GLU  13           HB3      GLU  13   0.155  -2.819 -14.504
  245    HG2  GLU  13           HG2      GLU  13   0.544  -5.247 -14.360
  246    HG3  GLU  13           HG3      GLU  13  -1.050  -5.567 -15.052
  247    H    ALA  14           H        ALA  14   0.377  -2.145 -12.055
  248    HA   ALA  14           HA       ALA  14   1.925  -4.180 -10.796
  249    HB1  ALA  14           HB1      ALA  14   2.711  -1.864 -11.247
  250    HB2  ALA  14           HB2      ALA  14   1.590  -1.249 -10.014
  251    HB3  ALA  14           HB3      ALA  14   2.936  -2.321  -9.553
  252    H    LEU  15           H        LEU  15  -0.777  -2.215  -9.456
  253    HA   LEU  15           HA       LEU  15  -0.824  -3.398  -6.845
  254    HG   LEU  15           HG       LEU  15  -1.004  -0.704  -7.422
  255    HB2  LEU  15           HB2      LEU  15  -2.916  -2.059  -8.605
  256    HB3  LEU  15           HB3      LEU  15  -3.288  -2.649  -6.988
  257   HD11  LEU  15          HD11      LEU  15  -3.908   0.006  -6.822
  258   HD12  LEU  15          HD12      LEU  15  -3.084   0.288  -8.367
  259   HD13  LEU  15          HD13      LEU  15  -2.533   1.129  -6.908
  260   HD21  LEU  15          HD21      LEU  15  -1.448  -0.170  -5.051
  261   HD22  LEU  15          HD22      LEU  15  -1.118  -1.899  -5.237
  262   HD23  LEU  15          HD23      LEU  15  -2.784  -1.327  -5.014
  263    H    TYR  16           H        TYR  16  -2.624  -4.333  -9.847
  264    HA   TYR  16           HA       TYR  16  -3.913  -6.606  -8.770
  265    HD1  TYR  16           HD2      TYR  16  -5.931  -7.743 -10.204
  266    HD2  TYR  16           HD1      TYR  16  -2.382  -8.055 -12.636
  267    HE1  TYR  16           HE2      TYR  16  -6.647 -10.003 -10.947
  268    HE2  TYR  16           HE1      TYR  16  -3.090 -10.332 -13.371
  269    HH   TYR  16           HH       TYR  16  -6.141 -11.848 -12.235
  270    HB2  TYR  16           HB2      TYR  16  -4.500  -5.692 -10.942
  271    HB3  TYR  16           HB3      TYR  16  -2.896  -6.002 -11.570
  272    H    LEU  17           H        LEU  17  -0.614  -6.360 -10.106
  273    HA   LEU  17           HA       LEU  17  -0.058  -9.196  -9.739
  274    HG   LEU  17           HG       LEU  17   0.130  -7.557 -12.211
  275    HB2  LEU  17           HB2      LEU  17   1.712  -6.791 -10.354
  276    HB3  LEU  17           HB3      LEU  17   2.326  -8.440 -10.278
  277   HD11  LEU  17          HD11      LEU  17   3.121  -7.933 -12.683
  278   HD12  LEU  17          HD12      LEU  17   2.249  -6.386 -12.677
  279   HD13  LEU  17          HD13      LEU  17   1.904  -7.588 -13.929
  280   HD21  LEU  17          HD21      LEU  17   0.696  -9.662 -13.392
  281   HD22  LEU  17          HD22      LEU  17   0.054  -9.967 -11.781
  282   HD23  LEU  17          HD23      LEU  17   1.806 -10.105 -12.070
  283    H    VAL  18           H        VAL  18   0.671  -6.349  -7.776
  284    HA   VAL  18           HA       VAL  18   2.228  -7.793  -5.800
  285    HB   VAL  18           HB       VAL  18   0.762  -5.135  -5.705
  286   HG11  VAL  18          HG11      VAL  18   0.703  -5.902  -3.388
  287   HG12  VAL  18          HG12      VAL  18   2.417  -6.386  -3.468
  288   HG13  VAL  18          HG13      VAL  18   1.949  -4.673  -3.565
  289   HG21  VAL  18          HG21      VAL  18   3.046  -4.214  -5.666
  290   HG22  VAL  18          HG22      VAL  18   3.733  -5.849  -5.595
  291   HG23  VAL  18          HG23      VAL  18   2.896  -5.306  -7.049
  292    H    CYS  19           H        CYS  19  -1.248  -6.956  -6.024
  293    HA   CYS  19           HA       CYS  19  -1.803  -8.177  -3.417
  294    HB2  CYS  19           HB2      CYS  19  -3.634  -6.915  -5.476
  295    HB3  CYS  19           HB3      CYS  19  -4.114  -7.441  -3.858
  296    H    GLY  20           H        GLY  20  -2.194  -9.186  -6.785
  297    HA2  GLY  20           HA2      GLY  20  -2.825 -11.217  -7.700
  298    HA3  GLY  20           HA3      GLY  20  -2.589 -11.942  -6.101
  299    H    GLU  21           H        GLU  21  -4.370 -13.099  -5.724
  300    HA   GLU  21           HA       GLU  21  -7.010 -12.443  -6.652
  301    HB2  GLU  21           HB2      GLU  21  -6.046 -14.455  -4.583
  302    HB3  GLU  21           HB3      GLU  21  -7.697 -14.367  -5.205
  303    HG2  GLU  21           HG2      GLU  21  -6.844 -14.742  -7.522
  304    HG3  GLU  21           HG3      GLU  21  -5.209 -14.937  -6.872
  305    H    ARG  22           H        ARG  22  -5.295 -11.184  -3.926
  306    HA   ARG  22           HA       ARG  22  -7.418 -10.938  -2.032
  307    HE   ARG  22           HE       ARG  22  -2.586 -10.258  -2.097
  308    HB2  ARG  22           HB2      ARG  22  -4.937  -9.215  -2.431
  309    HB3  ARG  22           HB3      ARG  22  -6.013  -9.129  -1.043
  310    HG2  ARG  22           HG2      ARG  22  -5.543 -11.442  -0.436
  311    HG3  ARG  22           HG3      ARG  22  -4.492 -11.655  -1.832
  312    HD2  ARG  22           HD2      ARG  22  -3.983  -9.549   0.309
  313    HD3  ARG  22           HD3      ARG  22  -3.387 -11.212   0.423
  314   HH11  ARG  22          HH11      ARG  22  -1.807  -9.537   1.318
  315   HH12  ARG  22          HH12      ARG  22  -0.157  -9.108   0.880
  316   HH21  ARG  22          HH21      ARG  22  -0.343  -9.645  -2.444
  317   HH22  ARG  22          HH22      ARG  22   0.573  -9.146  -1.032
  318    H    GLY  23           H        GLY  23  -6.508  -8.856  -4.767
  319    HA2  GLY  23           HA2      GLY  23  -7.736  -7.137  -5.800
  320    HA3  GLY  23           HA3      GLY  23  -8.959  -7.200  -4.515
  321    H    PHE  24           H        PHE  24  -8.258  -4.772  -5.328
  322    HA   PHE  24           HA       PHE  24  -6.651  -3.580  -3.162
  323    HD1  PHE  24           HD1      PHE  24  -5.725  -5.512  -6.778
  324    HD2  PHE  24           HD2      PHE  24  -5.999  -1.211  -6.677
  325    HE1  PHE  24           HE1      PHE  24  -6.115  -5.471  -9.226
  326    HE2  PHE  24           HE2      PHE  24  -6.315  -1.175  -9.140
  327    HZ   PHE  24           HZ       PHE  24  -6.382  -3.316 -10.415
  328    HB2  PHE  24           HB2      PHE  24  -5.108  -2.485  -4.747
  329    HB3  PHE  24           HB3      PHE  24  -4.981  -4.234  -4.819
  330    H    PHE  25           H        PHE  25  -6.607  -1.330  -3.103
  331    HA   PHE  25           HA       PHE  25  -8.774   0.157  -4.507
  332    HD1  PHE  25           HD2      PHE  25 -10.830   1.230  -2.709
  333    HD2  PHE  25           HD1      PHE  25  -7.070   3.333  -2.585
  334    HE1  PHE  25           HE2      PHE  25 -12.036   3.396  -2.821
  335    HE2  PHE  25           HE1      PHE  25  -8.275   5.497  -2.700
  336    HZ   PHE  25           HZ       PHE  25 -10.768   5.531  -2.800
  337    HB2  PHE  25           HB2      PHE  25  -8.749   0.114  -1.977
  338    HB3  PHE  25           HB3      PHE  25  -7.194   0.929  -2.016
  339    H    TYR  26           H        TYR  26  -8.197   2.204  -5.402
  340    HA   TYR  26           HA       TYR  26  -5.311   2.616  -6.117
  341    HD1  TYR  26           HD2      TYR  26  -4.018   2.432  -8.635
  342    HD2  TYR  26           HD1      TYR  26  -8.055   3.655  -9.508
  343    HE1  TYR  26           HE2      TYR  26  -3.200   3.759 -10.571
  344    HE2  TYR  26           HE1      TYR  26  -7.241   5.013 -11.424
  345    HH   TYR  26           HH       TYR  26  -3.763   5.129 -12.316
  346    HB2  TYR  26           HB2      TYR  26  -6.119   1.148  -7.808
  347    HB3  TYR  26           HB3      TYR  26  -7.670   1.964  -7.910
  348    H    THR  27           H        THR  27  -8.587   3.971  -6.031
  349    HA   THR  27           HA       THR  27  -8.420   6.113  -7.641
  350    HB   THR  27           HB       THR  27  -9.904   6.135  -5.000
  351    HG1  THR  27           HG1      THR  27 -10.733   5.017  -7.480
  352   HG21  THR  27          HG21      THR  27 -11.679   7.273  -6.316
  353   HG22  THR  27          HG22      THR  27 -10.585   7.356  -7.714
  354   HG23  THR  27          HG23      THR  27 -10.202   8.235  -6.215
  355    HA   PRO  28           HA       PRO  28  -5.660   9.192  -5.831
  356    HB2  PRO  28           HB2      PRO  28  -7.485  11.125  -7.246
  357    HB3  PRO  28           HB3      PRO  28  -5.697  11.057  -7.251
  358    HG2  PRO  28           HG2      PRO  28  -7.124  10.147  -9.369
  359    HG3  PRO  28           HG3      PRO  28  -5.705   9.227  -8.785
  360    HD2  PRO  28           HD2      PRO  28  -8.625   8.704  -8.254
  361    HD3  PRO  28           HD3      PRO  28  -7.316   7.553  -8.654
  362    H    LYS  29           H        LYS  29  -5.760  11.188  -4.481
  363    HA   LYS  29           HA       LYS  29  -7.794  11.151  -2.423
  364    HB2  LYS  29           HB2      LYS  29  -5.432  11.762  -2.116
  365    HB3  LYS  29           HB3      LYS  29  -5.605  13.150  -3.161
  366    HG2  LYS  29           HG2      LYS  29  -7.167  12.807  -0.567
  367    HG3  LYS  29           HG3      LYS  29  -5.547  13.476  -0.617
  368    HD2  LYS  29           HD2      LYS  29  -8.022  14.720  -1.872
  369    HD3  LYS  29           HD3      LYS  29  -7.154  15.261  -0.446
  370    HE2  LYS  29           HE2      LYS  29  -5.181  15.841  -1.760
  371    HE3  LYS  29           HE3      LYS  29  -5.895  15.139  -3.216
  372    HZ1  LYS  29           HZ1      LYS  29  -7.009  17.474  -1.778
  373    HZ2  LYS  29           HZ2      LYS  29  -7.645  16.774  -3.124
  374    HZ3  LYS  29           HZ3      LYS  29  -6.190  17.522  -3.195
  375    H    THR  30           H        THR  30  -7.262  13.106  -5.282
  376    HA   THR  30           HA       THR  30  -8.689  14.189  -6.702
  377    HB   THR  30           HB       THR  30 -10.888  14.138  -4.617
  378    HG1  THR  30           HG1      THR  30 -11.621  12.396  -5.829
  379   HG21  THR  30          HG21      THR  30 -12.347  14.540  -6.575
  380   HG22  THR  30          HG22      THR  30 -10.915  14.687  -7.620
  381   HG23  THR  30          HG23      THR  30 -11.217  15.881  -6.339
  Start of MODEL   35
    1    H1   GLY   1           H1       GLY   1  -1.695   7.801   0.531
    2    H2   GLY   1           H2       GLY   1  -1.519   9.248  -0.205
    3    H3   GLY   1           H3       GLY   1  -0.195   8.437   0.327
    4    HA2  GLY   1           HA2      GLY   1  -0.341   8.235  -2.045
    5    HA3  GLY   1           HA3      GLY   1  -0.570   6.660  -1.254
    6    H    ILE   2           H        ILE   2  -3.367   6.814  -3.646
    7    HA   ILE   2           HA       ILE   2  -0.357   6.534  -3.594
    8    HB   ILE   2           HB       ILE   2  -1.661   4.474  -2.944
    9   HG12  ILE   2          HG12      ILE   2  -0.382   2.887  -4.324
   10   HG13  ILE   2          HG13      ILE   2   0.135   4.202  -5.380
   11   HG21  ILE   2          HG21      ILE   2  -2.719   3.092  -4.629
   12   HG22  ILE   2          HG22      ILE   2  -3.529   4.653  -4.524
   13   HG23  ILE   2          HG23      ILE   2  -2.432   4.317  -5.878
   14   HD11  ILE   2          HD11      ILE   2   1.785   3.465  -3.613
   15   HD12  ILE   2          HD12      ILE   2   1.426   5.201  -3.565
   16   HD13  ILE   2          HD13      ILE   2   0.694   4.089  -2.372
   17    H    VAL   3           H        VAL   3  -3.182   7.040  -5.719
   18    HA   VAL   3           HA       VAL   3  -1.861   6.593  -8.146
   19    HB   VAL   3           HB       VAL   3  -4.212   8.388  -7.541
   20   HG11  VAL   3          HG11      VAL   3  -3.316   9.261  -9.647
   21   HG12  VAL   3          HG12      VAL   3  -3.133   7.613 -10.290
   22   HG13  VAL   3          HG13      VAL   3  -4.747   8.296  -9.983
   23   HG21  VAL   3          HG21      VAL   3  -5.527   6.564  -8.442
   24   HG22  VAL   3          HG22      VAL   3  -4.065   5.693  -8.943
   25   HG23  VAL   3          HG23      VAL   3  -4.432   5.881  -7.222
   26    H    GLU   4           H        GLU   4  -2.422   9.917  -6.795
   27    HA   GLU   4           HA       GLU   4  -0.660  11.089  -8.784
   28    HB2  GLU   4           HB2      GLU   4  -1.856  12.183  -6.207
   29    HB3  GLU   4           HB3      GLU   4  -0.816  13.125  -7.293
   30    HG2  GLU   4           HG2      GLU   4  -2.399  12.682  -9.175
   31    HG3  GLU   4           HG3      GLU   4  -3.462  11.815  -8.057
   32    H    GLN   5           H        GLN   5  -0.136   9.901  -5.465
   33    HA   GLN   5           HA       GLN   5   2.434  11.052  -5.012
   34    HB2  GLN   5           HB2      GLN   5   1.022   9.923  -3.262
   35    HB3  GLN   5           HB3      GLN   5   1.376   8.371  -4.038
   36    HG2  GLN   5           HG2      GLN   5   3.914   9.086  -3.696
   37    HG3  GLN   5           HG3      GLN   5   3.252  10.209  -2.525
   38   HE21  GLN   5          HE21      GLN   5   4.775   7.344  -2.674
   39   HE22  GLN   5          HE22      GLN   5   4.036   6.545  -1.279
   40    H    CYS   6           H        CYS   6   1.639   7.726  -6.287
   41    HA   CYS   6           HA       CYS   6   4.446   7.205  -6.732
   42    HB2  CYS   6           HB2      CYS   6   2.433   5.621  -6.233
   43    HB3  CYS   6           HB3      CYS   6   2.224   5.596  -7.980
   44    H    CYS   7           H        CYS   7   2.129   8.835  -8.648
   45    HA   CYS   7           HA       CYS   7   3.567   8.360 -11.183
   46    HB2  CYS   7           HB2      CYS   7   1.092   8.380 -10.999
   47    HB3  CYS   7           HB3      CYS   7   1.156  10.100 -10.598
   48    H    THR   8           H        THR   8   3.201  11.028  -8.830
   49    HA   THR   8           HA       THR   8   4.992  12.775 -10.461
   50    HB   THR   8           HB       THR   8   4.490  14.522  -8.862
   51    HG1  THR   8           HG1      THR   8   2.667  12.694  -7.668
   52   HG21  THR   8          HG21      THR   8   2.135  14.867  -9.411
   53   HG22  THR   8          HG22      THR   8   1.944  13.156  -9.846
   54   HG23  THR   8          HG23      THR   8   3.005  14.201 -10.811
   55    H    SER   9           H        SER   9   4.954  11.089  -7.366
   56    HA   SER   9           HA       SER   9   7.929  11.392  -7.134
   57    HG   SER   9           HG       SER   9   7.834  11.560  -3.651
   58    HB2  SER   9           HB2      SER   9   6.607  12.494  -5.298
   59    HB3  SER   9           HB3      SER   9   5.918  10.915  -4.898
   60    H    ILE  10           H        ILE  10   7.711   9.181  -5.100
   61    HA   ILE  10           HA       ILE  10   7.289   6.855  -6.970
   62    HB   ILE  10           HB       ILE  10   9.129   5.719  -5.810
   63   HG12  ILE  10          HG12      ILE  10   9.780   8.383  -4.476
   64   HG13  ILE  10          HG13      ILE  10   9.001   7.020  -3.656
   65   HG21  ILE  10          HG21      ILE  10   9.482   6.906  -7.934
   66   HG22  ILE  10          HG22      ILE  10  10.013   8.350  -7.037
   67   HG23  ILE  10          HG23      ILE  10  10.940   6.842  -6.957
   68   HD11  ILE  10          HD11      ILE  10  11.351   6.994  -3.138
   69   HD12  ILE  10          HD12      ILE  10  10.980   5.589  -4.157
   70   HD13  ILE  10          HD13      ILE  10  11.799   7.021  -4.849
   71    H    CYS  11           H        CYS  11   6.998   4.768  -5.923
   72    HA   CYS  11           HA       CYS  11   6.211   4.758  -3.104
   73    HB2  CYS  11           HB2      CYS  11   4.111   3.692  -3.373
   74    HB3  CYS  11           HB3      CYS  11   4.065   5.203  -4.261
   75    H    SER  12           H        SER  12   6.036   2.608  -2.218
   76    HA   SER  12           HA       SER  12   7.822   0.642  -3.547
   77    HG   SER  12           HG       SER  12   7.106   0.659   0.462
   78    HB2  SER  12           HB2      SER  12   8.043  -0.360  -1.329
   79    HB3  SER  12           HB3      SER  12   8.487   1.355  -1.301
   80    H    LEU  13           H        LEU  13   7.282  -1.665  -3.360
   81    HA   LEU  13           HA       LEU  13   4.616  -2.352  -4.171
   82    HG   LEU  13           HG       LEU  13   7.800  -3.086  -4.863
   83    HB2  LEU  13           HB2      LEU  13   6.774  -4.101  -2.910
   84    HB3  LEU  13           HB3      LEU  13   5.393  -4.652  -3.845
   85   HD11  LEU  13          HD11      LEU  13   8.268  -5.104  -6.167
   86   HD12  LEU  13          HD12      LEU  13   6.819  -5.898  -5.501
   87   HD13  LEU  13          HD13      LEU  13   8.182  -5.484  -4.444
   88   HD21  LEU  13          HD21      LEU  13   6.874  -3.300  -7.138
   89   HD22  LEU  13          HD22      LEU  13   5.837  -2.298  -6.119
   90   HD23  LEU  13          HD23      LEU  13   5.375  -3.975  -6.475
   91    H    TYR  14           H        TYR  14   6.177  -2.297  -0.990
   92    HA   TYR  14           HA       TYR  14   4.006  -3.420   0.491
   93    HD1  TYR  14           HD2      TYR  14   5.320  -4.960   2.259
   94    HD2  TYR  14           HD1      TYR  14   8.206  -2.264   0.532
   95    HE1  TYR  14           HE2      TYR  14   6.978  -6.812   2.152
   96    HE2  TYR  14           HE1      TYR  14   9.863  -4.117   0.409
   97    HH   TYR  14           HH       TYR  14   9.113  -7.439   1.550
   98    HB2  TYR  14           HB2      TYR  14   6.134  -1.410   1.339
   99    HB3  TYR  14           HB3      TYR  14   5.136  -2.373   2.422
  100    H    GLN  15           H        GLN  15   4.606  -0.107  -0.620
  101    HA   GLN  15           HA       GLN  15   2.279   1.034   0.772
  102    HB2  GLN  15           HB2      GLN  15   4.093   2.048  -1.446
  103    HB3  GLN  15           HB3      GLN  15   2.641   2.911  -0.942
  104    HG2  GLN  15           HG2      GLN  15   3.456   3.212   1.299
  105    HG3  GLN  15           HG3      GLN  15   4.825   2.135   1.026
  106   HE21  GLN  15          HE21      GLN  15   6.677   2.931  -0.081
  107   HE22  GLN  15          HE22      GLN  15   6.841   4.649  -0.458
  108    H    LEU  16           H        LEU  16   2.841  -0.341  -2.515
  109    HA   LEU  16           HA       LEU  16   0.164   0.094  -3.460
  110    HG   LEU  16           HG       LEU  16   3.118  -0.179  -4.838
  111    HB2  LEU  16           HB2      LEU  16   2.058  -2.237  -4.035
  112    HB3  LEU  16           HB3      LEU  16   0.607  -1.882  -4.927
  113   HD11  LEU  16          HD11      LEU  16   3.268  -0.769  -7.210
  114   HD12  LEU  16          HD12      LEU  16   1.774  -1.725  -7.098
  115   HD13  LEU  16          HD13      LEU  16   3.234  -2.231  -6.227
  116   HD21  LEU  16          HD21      LEU  16   0.466   0.363  -6.222
  117   HD22  LEU  16          HD22      LEU  16   1.989   1.203  -6.589
  118   HD23  LEU  16          HD23      LEU  16   1.261   1.365  -4.982
  119    H    GLU  17           H        GLU  17   1.517  -2.630  -1.551
  120    HA   GLU  17           HA       GLU  17  -0.979  -4.005  -1.435
  121    HB2  GLU  17           HB2      GLU  17   1.313  -5.005  -1.100
  122    HB3  GLU  17           HB3      GLU  17   1.315  -4.328   0.534
  123    HG2  GLU  17           HG2      GLU  17  -0.587  -5.668   1.176
  124    HG3  GLU  17           HG3      GLU  17  -0.968  -6.053  -0.508
  125    H    ASN  18           H        ASN  18   0.251  -1.390   0.616
  126    HA   ASN  18           HA       ASN  18  -1.499  -1.782   2.840
  127    HB2  ASN  18           HB2      ASN  18   0.298   0.343   1.779
  128    HB3  ASN  18           HB3      ASN  18  -1.067   0.939   2.689
  129   HD21  ASN  18          HD21      ASN  18   1.698  -1.351   2.869
  130   HD22  ASN  18          HD22      ASN  18   1.811  -1.288   4.627
  131    H    TYR  19           H        TYR  19  -2.202  -0.546  -0.377
  132    HA   TYR  19           HA       TYR  19  -4.910   0.363   0.475
  133    HD1  TYR  19           HD2      TYR  19  -5.516   2.701   0.269
  134    HD2  TYR  19           HD1      TYR  19  -1.582   2.311  -1.447
  135    HE1  TYR  19           HE2      TYR  19  -4.825   4.813   1.380
  136    HE2  TYR  19           HE1      TYR  19  -0.872   4.403  -0.308
  137    HH   TYR  19           HH       TYR  19  -3.109   6.260   1.808
  138    HB2  TYR  19           HB2      TYR  19  -3.262   0.748  -2.052
  139    HB3  TYR  19           HB3      TYR  19  -4.938   1.241  -1.892
  140    H    CYS  20           H        CYS  20  -3.573  -2.530  -0.367
  141    HA   CYS  20           HA       CYS  20  -5.840  -3.503  -2.001
  142    HB2  CYS  20           HB2      CYS  20  -3.377  -4.869  -0.884
  143    HB3  CYS  20           HB3      CYS  20  -4.629  -5.704  -1.790
  144    H    ASN  21           H        ASN  21  -6.880  -5.551  -1.342
  145    HA   ASN  21           HA       ASN  21  -8.183  -5.291   1.265
  146    HB2  ASN  21           HB2      ASN  21  -8.421  -7.313  -1.017
  147    HB3  ASN  21           HB3      ASN  21  -9.408  -7.354   0.440
  148   HD21  ASN  21          HD21      ASN  21 -10.702  -5.297   0.911
  149   HD22  ASN  21          HD22      ASN  21 -11.366  -4.477  -0.494
  150    HA   PHE   1           HA       PHE   1  15.238  -1.203  -4.310
  151    HD1  PHE   1           HD1      PHE   1  15.543   1.331  -4.716
  152    HD2  PHE   1           HD2      PHE   1  16.838  -0.638  -8.343
  153    HE1  PHE   1           HE1      PHE   1  17.455   2.909  -4.907
  154    HE2  PHE   1           HE2      PHE   1  18.741   0.939  -8.514
  155    HZ   PHE   1           HZ       PHE   1  19.050   2.719  -6.799
  156    H1   PHE   1           H1       PHE   1  16.304  -3.303  -4.676
  157    H2   PHE   1           H2       PHE   1  17.043  -2.145  -5.570
  158    H3   PHE   1           H3       PHE   1  16.035  -3.227  -6.286
  159    HB2  PHE   1           HB2      PHE   1  14.767  -1.274  -7.321
  160    HB3  PHE   1           HB3      PHE   1  13.994  -0.153  -6.225
  161    H    VAL   2           H        VAL   2  12.892  -0.950  -4.090
  162    HA   VAL   2           HA       VAL   2  11.194  -3.251  -4.872
  163    HB   VAL   2           HB       VAL   2  10.212  -3.382  -2.621
  164   HG11  VAL   2          HG11      VAL   2  11.803  -5.089  -3.421
  165   HG12  VAL   2          HG12      VAL   2  13.137  -4.197  -2.653
  166   HG13  VAL   2          HG13      VAL   2  11.840  -4.906  -1.666
  167   HG21  VAL   2          HG21      VAL   2  11.055  -1.248  -1.631
  168   HG22  VAL   2          HG22      VAL   2  11.453  -2.641  -0.621
  169   HG23  VAL   2          HG23      VAL   2  12.701  -1.900  -1.636
  170    H    ASN   3           H        ASN   3  11.300  -0.823  -5.942
  171    HA   ASN   3           HA       ASN   3   8.882   0.681  -5.337
  172    HB2  ASN   3           HB2      ASN   3  10.102   2.692  -4.516
  173    HB3  ASN   3           HB3      ASN   3  10.277   1.322  -3.429
  174   HD21  ASN   3          HD21      ASN   3  12.007   3.634  -5.387
  175   HD22  ASN   3          HD22      ASN   3  13.599   2.975  -5.097
  176    H    GLN   4           H        GLN   4   8.410   2.386  -6.736
  177    HA   GLN   4           HA       GLN   4  10.041   2.728  -9.195
  178    HB2  GLN   4           HB2      GLN   4   7.297   1.376  -9.074
  179    HB3  GLN   4           HB3      GLN   4   8.038   1.983 -10.555
  180    HG2  GLN   4           HG2      GLN   4   9.937   0.383 -10.235
  181    HG3  GLN   4           HG3      GLN   4   9.091  -0.285  -8.831
  182   HE21  GLN   4          HE21      GLN   4   8.621   0.302 -12.387
  183   HE22  GLN   4          HE22      GLN   4   7.586  -1.101 -12.579
  184    H    HIS   5           H        HIS   5   8.920   4.165 -10.763
  185    HA   HIS   5           HA       HIS   5   6.846   6.000  -9.656
  186    HD1  HIS   5           HD1      HIS   5   7.718   8.720  -9.602
  187    HD2  HIS   5           HD2      HIS   5  10.694   6.929 -11.970
  188    HE1  HIS   5           HE1      HIS   5   9.810  10.118  -9.280
  189    HB2  HIS   5           HB2      HIS   5   8.305   6.007 -12.343
  190    HB3  HIS   5           HB3      HIS   5   7.019   7.102 -11.884
  191    H    LEU   6           H        LEU   6   4.738   5.627 -10.290
  192    HA   LEU   6           HA       LEU   6   4.087   3.773 -12.520
  193    HG   LEU   6           HG       LEU   6   5.373   2.247 -10.218
  194    HB2  LEU   6           HB2      LEU   6   3.202   3.462  -9.628
  195    HB3  LEU   6           HB3      LEU   6   2.453   2.628 -10.974
  196   HD11  LEU   6          HD11      LEU   6   2.919   0.634  -9.438
  197   HD12  LEU   6          HD12      LEU   6   3.985   1.555  -8.355
  198   HD13  LEU   6          HD13      LEU   6   4.605   0.120  -9.189
  199   HD21  LEU   6          HD21      LEU   6   5.150   0.181 -11.581
  200   HD22  LEU   6          HD22      LEU   6   4.837   1.618 -12.561
  201   HD23  LEU   6          HD23      LEU   6   3.478   0.624 -11.983
  202    H    CYS   7           H        CYS   7   2.367   4.451 -13.639
  203    HA   CYS   7           HA       CYS   7   0.412   6.379 -12.465
  204    HB2  CYS   7           HB2      CYS   7   1.638   6.475 -15.240
  205    HB3  CYS   7           HB3      CYS   7   0.400   7.560 -14.631
  206    H    GLY   8           H        GLY   8  -1.676   5.999 -13.044
  207    HA2  GLY   8           HA2      GLY   8  -3.575   5.011 -13.958
  208    HA3  GLY   8           HA3      GLY   8  -2.653   5.191 -15.450
  209    H    SER   9           H        SER   9  -2.627   3.430 -16.647
  210    HA   SER   9           HA       SER   9  -3.565   0.879 -15.858
  211    HG   SER   9           HG       SER   9  -3.811   1.762 -19.314
  212    HB2  SER   9           HB2      SER   9  -1.764   1.584 -18.211
  213    HB3  SER   9           HB3      SER   9  -2.785   0.138 -18.050
  214    H    HIS  10           H        HIS  10  -0.225   2.155 -15.887
  215    HA   HIS  10           HA       HIS  10   1.036  -0.443 -15.460
  216    HD1  HIS  10           HD1      HIS  10   3.097  -0.360 -17.523
  217    HD2  HIS  10           HD2      HIS  10   1.671   3.593 -17.301
  218    HE1  HIS  10           HE1      HIS  10   3.111   0.537 -19.905
  219    HB2  HIS  10           HB2      HIS  10   2.041   2.396 -14.996
  220    HB3  HIS  10           HB3      HIS  10   3.038   0.945 -15.010
  221    H    LEU  11           H        LEU  11  -0.075   2.215 -13.355
  222    HA   LEU  11           HA       LEU  11   0.789   1.020 -10.866
  223    HG   LEU  11           HG       LEU  11  -1.804   2.147  -9.273
  224    HB2  LEU  11           HB2      LEU  11   0.264   3.425 -11.118
  225    HB3  LEU  11           HB3      LEU  11  -1.400   3.040 -11.530
  226   HD11  LEU  11          HD11      LEU  11   0.467   1.384  -8.645
  227   HD12  LEU  11          HD12      LEU  11  -0.153   2.546  -7.467
  228   HD13  LEU  11          HD13      LEU  11   1.046   3.066  -8.663
  229   HD21  LEU  11          HD21      LEU  11  -1.778   4.296  -8.128
  230   HD22  LEU  11          HD22      LEU  11  -2.207   4.523  -9.833
  231   HD23  LEU  11          HD23      LEU  11  -0.567   4.930  -9.269
  232    H    VAL  12           H        VAL  12  -2.322   0.932 -12.628
  233    HA   VAL  12           HA       VAL  12  -3.685  -0.826 -10.857
  234    HB   VAL  12           HB       VAL  12  -3.975  -0.239 -13.810
  235   HG11  VAL  12          HG11      VAL  12  -5.796  -2.078 -12.207
  236   HG12  VAL  12          HG12      VAL  12  -6.178  -1.379 -13.795
  237   HG13  VAL  12          HG13      VAL  12  -4.842  -2.515 -13.639
  238   HG21  VAL  12          HG21      VAL  12  -5.731   0.364 -11.394
  239   HG22  VAL  12          HG22      VAL  12  -4.623   1.519 -12.147
  240   HG23  VAL  12          HG23      VAL  12  -6.020   0.923 -13.055
  241    H    GLU  13           H        GLU  13  -1.590  -1.629 -13.662
  242    HA   GLU  13           HA       GLU  13  -1.821  -4.461 -13.453
  243    HB2  GLU  13           HB2      GLU  13  -0.910  -3.211 -15.383
  244    HB3  GLU  13           HB3      GLU  13   0.518  -2.777 -14.443
  245    HG2  GLU  13           HG2      GLU  13   1.153  -5.135 -14.254
  246    HG3  GLU  13           HG3      GLU  13  -0.343  -5.636 -15.054
  247    H    ALA  14           H        ALA  14   0.612  -2.212 -12.001
  248    HA   ALA  14           HA       ALA  14   2.113  -4.223 -10.653
  249    HB1  ALA  14           HB1      ALA  14   3.029  -2.329  -9.369
  250    HB2  ALA  14           HB2      ALA  14   2.899  -1.915 -11.093
  251    HB3  ALA  14           HB3      ALA  14   1.702  -1.287  -9.939
  252    H    LEU  15           H        LEU  15  -0.651  -2.276  -9.445
  253    HA   LEU  15           HA       LEU  15  -0.857  -3.366  -6.820
  254    HG   LEU  15           HG       LEU  15  -1.206  -0.733  -7.463
  255    HB2  LEU  15           HB2      LEU  15  -2.862  -2.260  -8.826
  256    HB3  LEU  15           HB3      LEU  15  -3.373  -2.838  -7.252
  257   HD11  LEU  15          HD11      LEU  15  -4.219  -0.250  -7.319
  258   HD12  LEU  15          HD12      LEU  15  -3.179   0.123  -8.706
  259   HD13  LEU  15          HD13      LEU  15  -2.947   0.984  -7.179
  260   HD21  LEU  15          HD21      LEU  15  -1.920  -0.189  -5.185
  261   HD22  LEU  15          HD22      LEU  15  -1.627  -1.935  -5.269
  262   HD23  LEU  15          HD23      LEU  15  -3.285  -1.326  -5.299
  263    H    TYR  16           H        TYR  16  -2.424  -4.552  -9.863
  264    HA   TYR  16           HA       TYR  16  -3.523  -6.883  -8.630
  265    HD1  TYR  16           HD2      TYR  16  -5.421  -8.091  -9.456
  266    HD2  TYR  16           HD1      TYR  16  -2.695  -8.360 -12.788
  267    HE1  TYR  16           HE2      TYR  16  -6.274 -10.360  -9.957
  268    HE2  TYR  16           HE1      TYR  16  -3.530 -10.649 -13.278
  269    HH   TYR  16           HH       TYR  16  -4.967 -12.337 -12.677
  270    HB2  TYR  16           HB2      TYR  16  -4.313  -5.970 -10.776
  271    HB3  TYR  16           HB3      TYR  16  -2.774  -6.368 -11.527
  272    H    LEU  17           H        LEU  17  -0.296  -6.371 -10.066
  273    HA   LEU  17           HA       LEU  17   0.431  -9.180  -9.857
  274    HG   LEU  17           HG       LEU  17   0.656  -7.499 -12.257
  275    HB2  LEU  17           HB2      LEU  17   2.029  -6.627 -10.288
  276    HB3  LEU  17           HB3      LEU  17   2.795  -8.211 -10.206
  277   HD11  LEU  17          HD11      LEU  17   3.697  -7.590 -12.531
  278   HD12  LEU  17          HD12      LEU  17   2.693  -6.121 -12.554
  279   HD13  LEU  17          HD13      LEU  17   2.534  -7.324 -13.849
  280   HD21  LEU  17          HD21      LEU  17   0.781  -9.916 -11.882
  281   HD22  LEU  17          HD22      LEU  17   2.553  -9.875 -12.030
  282   HD23  LEU  17          HD23      LEU  17   1.522  -9.516 -13.429
  283    H    VAL  18           H        VAL  18   0.903  -6.435  -7.695
  284    HA   VAL  18           HA       VAL  18   2.478  -7.931  -5.763
  285    HB   VAL  18           HB       VAL  18   0.895  -5.347  -5.530
  286   HG11  VAL  18          HG11      VAL  18   2.068  -4.948  -3.386
  287   HG12  VAL  18          HG12      VAL  18   0.967  -6.310  -3.251
  288   HG13  VAL  18          HG13      VAL  18   2.714  -6.604  -3.414
  289   HG21  VAL  18          HG21      VAL  18   3.897  -5.941  -5.536
  290   HG22  VAL  18          HG22      VAL  18   2.998  -5.293  -6.912
  291   HG23  VAL  18          HG23      VAL  18   3.149  -4.342  -5.423
  292    H    CYS  19           H        CYS  19  -1.017  -7.226  -6.062
  293    HA   CYS  19           HA       CYS  19  -1.517  -8.655  -3.491
  294    HB2  CYS  19           HB2      CYS  19  -3.273  -6.811  -5.140
  295    HB3  CYS  19           HB3      CYS  19  -3.635  -7.437  -3.531
  296    H    GLY  20           H        GLY  20  -2.022  -9.247  -6.877
  297    HA2  GLY  20           HA2      GLY  20  -2.924 -11.053  -7.981
  298    HA3  GLY  20           HA3      GLY  20  -3.094 -11.869  -6.418
  299    H    GLU  21           H        GLU  21  -5.030 -12.755  -7.212
  300    HA   GLU  21           HA       GLU  21  -7.380 -11.160  -7.804
  301    HB2  GLU  21           HB2      GLU  21  -7.033 -14.097  -7.064
  302    HB3  GLU  21           HB3      GLU  21  -8.556 -13.361  -7.599
  303    HG2  GLU  21           HG2      GLU  21  -7.523 -12.700  -9.738
  304    HG3  GLU  21           HG3      GLU  21  -6.003 -13.476  -9.254
  305    H    ARG  22           H        ARG  22  -5.793 -11.492  -4.886
  306    HA   ARG  22           HA       ARG  22  -7.840 -11.883  -2.967
  307    HE   ARG  22           HE       ARG  22  -5.223  -9.071   0.315
  308    HB2  ARG  22           HB2      ARG  22  -5.235 -11.781  -2.787
  309    HB3  ARG  22           HB3      ARG  22  -5.468 -10.037  -2.598
  310    HG2  ARG  22           HG2      ARG  22  -6.942 -10.520  -0.600
  311    HG3  ARG  22           HG3      ARG  22  -6.615 -12.250  -0.840
  312    HD2  ARG  22           HD2      ARG  22  -5.117 -11.553   0.851
  313    HD3  ARG  22           HD3      ARG  22  -4.140 -11.727  -0.611
  314   HH11  ARG  22          HH11      ARG  22  -2.267 -10.851  -0.634
  315   HH12  ARG  22          HH12      ARG  22  -1.307  -9.400  -0.381
  316   HH21  ARG  22          HH21      ARG  22  -4.000  -7.433   0.525
  317   HH22  ARG  22          HH22      ARG  22  -2.257  -7.498   0.206
  318    H    GLY  23           H        GLY  23  -7.057  -9.101  -4.926
  319    HA2  GLY  23           HA2      GLY  23  -8.778  -7.477  -5.425
  320    HA3  GLY  23           HA3      GLY  23  -9.285  -7.476  -3.729
  321    H    PHE  24           H        PHE  24  -8.332  -5.381  -5.678
  322    HA   PHE  24           HA       PHE  24  -6.416  -3.976  -3.923
  323    HD1  PHE  24           HD1      PHE  24  -6.377  -6.389  -7.489
  324    HD2  PHE  24           HD2      PHE  24  -5.719  -2.127  -7.573
  325    HE1  PHE  24           HE1      PHE  24  -7.048  -6.321  -9.880
  326    HE2  PHE  24           HE2      PHE  24  -6.346  -2.070  -9.963
  327    HZ   PHE  24           HZ       PHE  24  -7.020  -4.170 -11.124
  328    HB2  PHE  24           HB2      PHE  24  -4.912  -3.484  -5.694
  329    HB3  PHE  24           HB3      PHE  24  -5.116  -5.219  -5.664
  330    H    PHE  25           H        PHE  25  -6.159  -1.647  -4.558
  331    HA   PHE  25           HA       PHE  25  -8.028  -0.563  -6.476
  332    HD1  PHE  25           HD2      PHE  25 -10.024   0.597  -6.914
  333    HD2  PHE  25           HD1      PHE  25  -8.867   2.490  -3.215
  334    HE1  PHE  25           HE2      PHE  25 -11.000   2.741  -7.702
  335    HE2  PHE  25           HE1      PHE  25  -9.894   4.609  -3.986
  336    HZ   PHE  25           HZ       PHE  25 -10.933   4.751  -6.233
  337    HB2  PHE  25           HB2      PHE  25  -9.489  -0.669  -4.490
  338    HB3  PHE  25           HB3      PHE  25  -8.301   0.235  -3.554
  339    H    TYR  26           H        TYR  26  -7.442   1.337  -7.318
  340    HA   TYR  26           HA       TYR  26  -4.809   2.477  -6.661
  341    HD1  TYR  26           HD1      TYR  26  -7.185   0.526  -9.283
  342    HD2  TYR  26           HD2      TYR  26  -7.109   4.817  -9.688
  343    HE1  TYR  26           HE1      TYR  26  -9.303   0.428 -10.564
  344    HE2  TYR  26           HE2      TYR  26  -9.238   4.731 -10.973
  345    HH   TYR  26           HH       TYR  26 -10.930   1.630 -11.661
  346    HB2  TYR  26           HB2      TYR  26  -5.180   3.629  -8.843
  347    HB3  TYR  26           HB3      TYR  26  -5.090   1.896  -8.926
  348    H    THR  27           H        THR  27  -5.527   3.346  -4.632
  349    HA   THR  27           HA       THR  27  -7.594   5.148  -4.218
  350    HB   THR  27           HB       THR  27  -4.968   4.967  -2.710
  351    HG1  THR  27           HG1      THR  27  -6.266   3.523  -1.481
  352   HG21  THR  27          HG21      THR  27  -6.235   6.956  -1.992
  353   HG22  THR  27          HG22      THR  27  -6.383   5.691  -0.773
  354   HG23  THR  27          HG23      THR  27  -7.732   6.001  -1.890
  355    HA   PRO  28           HA       PRO  28  -5.801   8.884  -6.125
  356    HB2  PRO  28           HB2      PRO  28  -7.982  10.474  -6.123
  357    HB3  PRO  28           HB3      PRO  28  -7.882   9.034  -7.185
  358    HG2  PRO  28           HG2      PRO  28  -9.233   9.256  -4.474
  359    HG3  PRO  28           HG3      PRO  28  -9.916   8.589  -6.001
  360    HD2  PRO  28           HD2      PRO  28  -8.785   7.011  -4.060
  361    HD3  PRO  28           HD3      PRO  28  -8.675   6.619  -5.806
  362    H    LYS  29           H        LYS  29  -5.616  11.226  -5.461
  363    HA   LYS  29           HA       LYS  29  -4.919  11.543  -2.670
  364    HB2  LYS  29           HB2      LYS  29  -3.756  12.635  -4.544
  365    HB3  LYS  29           HB3      LYS  29  -5.216  13.534  -4.952
  366    HG2  LYS  29           HG2      LYS  29  -5.138  14.689  -2.767
  367    HG3  LYS  29           HG3      LYS  29  -3.661  13.810  -2.334
  368    HD2  LYS  29           HD2      LYS  29  -3.933  15.585  -4.802
  369    HD3  LYS  29           HD3      LYS  29  -3.391  16.200  -3.234
  370    HE2  LYS  29           HE2      LYS  29  -1.413  14.854  -3.243
  371    HE3  LYS  29           HE3      LYS  29  -2.000  13.845  -4.571
  372    HZ1  LYS  29           HZ1      LYS  29  -1.382  16.723  -4.882
  373    HZ2  LYS  29           HZ2      LYS  29  -1.809  15.667  -6.073
  374    HZ3  LYS  29           HZ3      LYS  29  -0.364  15.504  -5.308
  375    H    THR  30           H        THR  30  -5.965  12.546  -1.033
  376    HA   THR  30           HA       THR  30  -8.765  12.529  -0.816
  377    HB   THR  30           HB       THR  30  -6.843  14.144   0.891
  378    HG1  THR  30           HG1      THR  30  -6.614  12.221   2.053
  379   HG21  THR  30          HG21      THR  30  -9.492  12.766   1.535
  380   HG22  THR  30          HG22      THR  30  -9.234  14.517   1.438
  381   HG23  THR  30          HG23      THR  30  -8.438  13.583   2.714
  Start of MODEL   36
    1    H1   GLY   1           H1       GLY   1  -2.967  13.932  -3.626
    2    H2   GLY   1           H2       GLY   1  -2.620  13.269  -5.088
    3    H3   GLY   1           H3       GLY   1  -1.451  13.381  -3.941
    4    HA2  GLY   1           HA2      GLY   1  -2.665  11.878  -2.482
    5    HA3  GLY   1           HA3      GLY   1  -3.855  11.680  -3.778
    6    H    ILE   2           H        ILE   2  -3.018   9.361  -3.162
    7    HA   ILE   2           HA       ILE   2  -0.326   8.654  -3.583
    8    HB   ILE   2           HB       ILE   2  -1.059   6.311  -3.416
    9   HG12  ILE   2          HG12      ILE   2  -3.887   7.446  -3.443
   10   HG13  ILE   2          HG13      ILE   2  -3.167   6.331  -4.606
   11   HG21  ILE   2          HG21      ILE   2  -0.632   7.836  -1.471
   12   HG22  ILE   2          HG22      ILE   2  -2.379   8.118  -1.340
   13   HG23  ILE   2          HG23      ILE   2  -1.704   6.491  -1.109
   14   HD11  ILE   2          HD11      ILE   2  -2.917   4.671  -2.680
   15   HD12  ILE   2          HD12      ILE   2  -3.926   5.777  -1.720
   16   HD13  ILE   2          HD13      ILE   2  -4.575   5.043  -3.194
   17    H    VAL   3           H        VAL   3  -2.901   8.361  -6.010
   18    HA   VAL   3           HA       VAL   3  -1.312   6.951  -7.936
   19    HB   VAL   3           HB       VAL   3  -3.623   8.863  -8.393
   20   HG11  VAL   3          HG11      VAL   3  -2.429   8.724 -10.509
   21   HG12  VAL   3          HG12      VAL   3  -2.328   6.952 -10.390
   22   HG13  VAL   3          HG13      VAL   3  -3.895   7.759 -10.624
   23   HG21  VAL   3          HG21      VAL   3  -4.163   6.766  -7.102
   24   HG22  VAL   3          HG22      VAL   3  -4.998   6.877  -8.657
   25   HG23  VAL   3          HG23      VAL   3  -3.590   5.816  -8.488
   26    H    GLU   4           H        GLU   4  -1.530  10.399  -7.139
   27    HA   GLU   4           HA       GLU   4   0.122  11.284  -9.395
   28    HB2  GLU   4           HB2      GLU   4  -0.575  12.717  -6.806
   29    HB3  GLU   4           HB3      GLU   4   0.159  13.441  -8.227
   30    HG2  GLU   4           HG2      GLU   4  -1.862  13.031  -9.550
   31    HG3  GLU   4           HG3      GLU   4  -2.615  12.164  -8.203
   32    H    GLN   5           H        GLN   5   0.622  10.752  -5.857
   33    HA   GLN   5           HA       GLN   5   3.326  11.528  -5.731
   34    HB2  GLN   5           HB2      GLN   5   1.758  11.177  -3.823
   35    HB3  GLN   5           HB3      GLN   5   1.857   9.432  -4.049
   36    HG2  GLN   5           HG2      GLN   5   4.260  11.221  -3.439
   37    HG3  GLN   5           HG3      GLN   5   3.289  10.454  -2.195
   38   HE21  GLN   5          HE21      GLN   5   6.223  10.094  -3.408
   39   HE22  GLN   5          HE22      GLN   5   6.345   8.350  -3.551
   40    H    CYS   6           H        CYS   6   2.014   8.192  -6.270
   41    HA   CYS   6           HA       CYS   6   4.512   6.873  -6.577
   42    HB2  CYS   6           HB2      CYS   6   1.694   6.421  -7.587
   43    HB3  CYS   6           HB3      CYS   6   2.997   5.379  -8.120
   44    H    CYS   7           H        CYS   7   2.956   9.082  -8.742
   45    HA   CYS   7           HA       CYS   7   4.370   8.043 -11.140
   46    HB2  CYS   7           HB2      CYS   7   1.923   8.440 -11.144
   47    HB3  CYS   7           HB3      CYS   7   2.206  10.146 -10.818
   48    H    THR   8           H        THR   8   3.968  11.202  -9.415
   49    HA   THR   8           HA       THR   8   5.994  12.525 -11.068
   50    HB   THR   8           HB       THR   8   5.614  14.448  -9.596
   51    HG1  THR   8           HG1      THR   8   4.052  14.270  -7.962
   52   HG21  THR   8          HG21      THR   8   2.964  13.170 -10.416
   53   HG22  THR   8          HG22      THR   8   4.065  14.036 -11.511
   54   HG23  THR   8          HG23      THR   8   3.296  14.899 -10.173
   55    H    SER   9           H        SER   9   5.854  11.138  -7.844
   56    HA   SER   9           HA       SER   9   8.847  11.229  -7.680
   57    HG   SER   9           HG       SER   9   8.887  11.445  -4.233
   58    HB2  SER   9           HB2      SER   9   7.615  12.383  -5.822
   59    HB3  SER   9           HB3      SER   9   6.880  10.830  -5.405
   60    H    ILE  10           H        ILE  10   8.769   9.066  -5.735
   61    HA   ILE  10           HA       ILE  10   8.038   6.728  -7.475
   62    HB   ILE  10           HB       ILE  10   9.959   5.530  -6.535
   63   HG12  ILE  10          HG12      ILE  10  10.734   8.198  -5.260
   64   HG13  ILE  10          HG13      ILE  10  10.265   6.722  -4.417
   65   HG21  ILE  10          HG21      ILE  10  10.047   6.704  -8.713
   66   HG22  ILE  10          HG22      ILE  10  10.826   8.086  -7.918
   67   HG23  ILE  10          HG23      ILE  10  11.637   6.507  -7.965
   68   HD11  ILE  10          HD11      ILE  10  12.799   7.183  -6.032
   69   HD12  ILE  10          HD12      ILE  10  12.647   6.927  -4.287
   70   HD13  ILE  10          HD13      ILE  10  12.305   5.589  -5.411
   71    H    CYS  11           H        CYS  11   7.442   4.799  -6.435
   72    HA   CYS  11           HA       CYS  11   7.073   4.807  -3.515
   73    HB2  CYS  11           HB2      CYS  11   4.752   4.330  -3.513
   74    HB3  CYS  11           HB3      CYS  11   4.984   5.782  -4.469
   75    H    SER  12           H        SER  12   6.410   2.672  -2.695
   76    HA   SER  12           HA       SER  12   7.960   0.606  -4.185
   77    HG   SER  12           HG       SER  12   8.464  -0.989  -0.982
   78    HB2  SER  12           HB2      SER  12   8.753   1.253  -1.933
   79    HB3  SER  12           HB3      SER  12   7.192   0.722  -1.274
   80    H    LEU  13           H        LEU  13   7.387  -1.559  -4.073
   81    HA   LEU  13           HA       LEU  13   4.649  -2.208  -4.774
   82    HG   LEU  13           HG       LEU  13   7.727  -2.824  -5.865
   83    HB2  LEU  13           HB2      LEU  13   6.945  -4.016  -3.894
   84    HB3  LEU  13           HB3      LEU  13   5.479  -4.521  -4.699
   85   HD11  LEU  13          HD11      LEU  13   8.130  -5.273  -5.695
   86   HD12  LEU  13          HD12      LEU  13   8.031  -4.738  -7.384
   87   HD13  LEU  13          HD13      LEU  13   6.654  -5.572  -6.630
   88   HD21  LEU  13          HD21      LEU  13   5.655  -1.936  -6.818
   89   HD22  LEU  13          HD22      LEU  13   5.109  -3.586  -7.217
   90   HD23  LEU  13          HD23      LEU  13   6.518  -2.890  -8.028
   91    H    TYR  14           H        TYR  14   6.504  -2.324  -1.785
   92    HA   TYR  14           HA       TYR  14   4.538  -3.671  -0.159
   93    HD1  TYR  14           HD2      TYR  14   6.835  -4.688  -1.115
   94    HD2  TYR  14           HD1      TYR  14   7.515  -3.411   2.955
   95    HE1  TYR  14           HE2      TYR  14   8.227  -6.681  -0.728
   96    HE2  TYR  14           HE1      TYR  14   8.921  -5.419   3.340
   97    HH   TYR  14           HH       TYR  14   9.512  -7.867   0.778
   98    HB2  TYR  14           HB2      TYR  14   6.872  -1.817   0.418
   99    HB3  TYR  14           HB3      TYR  14   5.816  -2.372   1.689
  100    H    GLN  15           H        GLN  15   4.670  -0.401  -1.378
  101    HA   GLN  15           HA       GLN  15   2.735   0.654   0.640
  102    HB2  GLN  15           HB2      GLN  15   4.184   2.000  -1.681
  103    HB3  GLN  15           HB3      GLN  15   3.061   2.794  -0.585
  104    HG2  GLN  15           HG2      GLN  15   4.527   2.394   1.326
  105    HG3  GLN  15           HG3      GLN  15   5.652   1.469   0.339
  106   HE21  GLN  15          HE21      GLN  15   5.447   4.432   1.755
  107   HE22  GLN  15          HE22      GLN  15   6.332   5.361   0.551
  108    H    LEU  16           H        LEU  16   2.976  -0.267  -2.816
  109    HA   LEU  16           HA       LEU  16   0.200   0.112  -3.473
  110    HG   LEU  16           HG       LEU  16   0.627   0.129  -5.900
  111    HB2  LEU  16           HB2      LEU  16   2.380  -1.816  -4.364
  112    HB3  LEU  16           HB3      LEU  16   0.724  -2.093  -4.842
  113   HD11  LEU  16          HD11      LEU  16   2.681   1.371  -6.422
  114   HD12  LEU  16          HD12      LEU  16   3.628   0.279  -5.406
  115   HD13  LEU  16          HD13      LEU  16   2.408   1.354  -4.679
  116   HD21  LEU  16          HD21      LEU  16   1.239  -1.976  -7.123
  117   HD22  LEU  16          HD22      LEU  16   2.950  -1.609  -6.864
  118   HD23  LEU  16          HD23      LEU  16   1.944  -0.542  -7.862
  119    H    GLU  17           H        GLU  17   1.845  -2.730  -2.026
  120    HA   GLU  17           HA       GLU  17  -0.381  -4.375  -1.787
  121    HB2  GLU  17           HB2      GLU  17   2.157  -4.804  -1.499
  122    HB3  GLU  17           HB3      GLU  17   1.924  -4.434   0.201
  123    HG2  GLU  17           HG2      GLU  17   0.462  -6.583  -1.395
  124    HG3  GLU  17           HG3      GLU  17   1.950  -6.862  -0.507
  125    H    ASN  18           H        ASN  18   0.559  -1.792   0.434
  126    HA   ASN  18           HA       ASN  18  -0.931  -2.364   2.727
  127    HB2  ASN  18           HB2      ASN  18   0.653  -0.509   2.496
  128    HB3  ASN  18           HB3      ASN  18  -0.395   0.277   1.318
  129   HD21  ASN  18          HD21      ASN  18  -1.988   1.685   2.046
  130   HD22  ASN  18          HD22      ASN  18  -2.373   1.895   3.746
  131    H    TYR  19           H        TYR  19  -2.196  -1.316  -0.411
  132    HA   TYR  19           HA       TYR  19  -4.879  -0.709   0.689
  133    HD1  TYR  19           HD2      TYR  19  -5.855   1.907  -0.139
  134    HD2  TYR  19           HD1      TYR  19  -1.745   1.062  -1.109
  135    HE1  TYR  19           HE2      TYR  19  -5.189   4.081   0.852
  136    HE2  TYR  19           HE1      TYR  19  -1.060   3.238  -0.116
  137    HH   TYR  19           HH       TYR  19  -3.432   5.492   1.371
  138    HB2  TYR  19           HB2      TYR  19  -3.560  -0.323  -2.023
  139    HB3  TYR  19           HB3      TYR  19  -5.229   0.066  -1.672
  140    H    CYS  20           H        CYS  20  -3.404  -3.531  -0.239
  141    HA   CYS  20           HA       CYS  20  -5.671  -4.673  -1.746
  142    HB2  CYS  20           HB2      CYS  20  -3.053  -5.848  -0.801
  143    HB3  CYS  20           HB3      CYS  20  -4.245  -6.680  -1.807
  144    H    ASN  21           H        ASN  21  -6.639  -6.702  -1.131
  145    HA   ASN  21           HA       ASN  21  -7.761  -6.607   1.539
  146    HB2  ASN  21           HB2      ASN  21  -8.873  -7.299  -0.719
  147    HB3  ASN  21           HB3      ASN  21  -8.103  -8.863  -0.465
  148   HD21  ASN  21          HD22      ASN  21  -8.539  -8.833   2.504
  149   HD22  ASN  21          HD21      ASN  21 -10.274  -9.140   2.668
  150    HA   PHE   1           HA       PHE   1   9.767  -2.857  -0.481
  151    HD1  PHE   1           HD2      PHE   1  11.702  -2.669   3.060
  152    HD2  PHE   1           HD1      PHE   1   8.824  -0.178   1.020
  153    HE1  PHE   1           HE2      PHE   1  10.385  -2.480   5.142
  154    HE2  PHE   1           HE1      PHE   1   7.509   0.013   3.114
  155    HZ   PHE   1           HZ       PHE   1   8.289  -1.140   5.183
  156    H1   PHE   1           H1       PHE   1  12.198  -4.101   0.623
  157    H2   PHE   1           H2       PHE   1  10.991  -4.886  -0.150
  158    H3   PHE   1           H3       PHE   1  10.703  -4.164   1.300
  159    HB2  PHE   1           HB2      PHE   1  12.205  -1.574   0.838
  160    HB3  PHE   1           HB3      PHE   1  10.949  -0.696  -0.014
  161    H    VAL   2           H        VAL   2  10.046  -1.698  -2.482
  162    HA   VAL   2           HA       VAL   2  12.580  -1.247  -3.667
  163    HB   VAL   2           HB       VAL   2  12.668  -3.583  -4.256
  164   HG11  VAL   2          HG11      VAL   2  11.099  -4.737  -5.671
  165   HG12  VAL   2          HG12      VAL   2  10.210  -4.119  -4.271
  166   HG13  VAL   2          HG13      VAL   2  10.087  -3.296  -5.842
  167   HG21  VAL   2          HG21      VAL   2  12.038  -1.937  -6.735
  168   HG22  VAL   2          HG22      VAL   2  13.577  -1.927  -5.850
  169   HG23  VAL   2          HG23      VAL   2  13.026  -3.410  -6.645
  170    H    ASN   3           H        ASN   3  12.368   0.533  -4.783
  171    HA   ASN   3           HA       ASN   3   9.622   1.557  -5.193
  172    HB2  ASN   3           HB2      ASN   3  12.294   2.934  -4.787
  173    HB3  ASN   3           HB3      ASN   3  10.813   3.788  -5.236
  174   HD21  ASN   3          HD21      ASN   3  12.372   1.959  -2.588
  175   HD22  ASN   3          HD22      ASN   3  11.218   2.494  -1.380
  176    H    GLN   4           H        GLN   4   8.883   2.585  -6.988
  177    HA   GLN   4           HA       GLN   4  10.561   2.866  -9.426
  178    HB2  GLN   4           HB2      GLN   4   7.934   1.304  -9.266
  179    HB3  GLN   4           HB3      GLN   4   8.732   1.787 -10.767
  180    HG2  GLN   4           HG2      GLN   4  10.735   0.416 -10.103
  181    HG3  GLN   4           HG3      GLN   4   9.808  -0.181  -8.719
  182   HE21  GLN   4          HE21      GLN   4   7.595  -1.261  -9.318
  183   HE22  GLN   4          HE22      GLN   4   7.607  -2.197 -10.800
  184    H    HIS   5           H        HIS   5   9.407   4.155 -11.094
  185    HA   HIS   5           HA       HIS   5   7.329   6.030 -10.077
  186    HD1  HIS   5           HD1      HIS   5   8.290   8.713 -10.268
  187    HD2  HIS   5           HD2      HIS   5  11.083   6.602 -12.603
  188    HE1  HIS   5           HE1      HIS   5  10.466  10.005 -10.105
  189    HB2  HIS   5           HB2      HIS   5   8.650   5.768 -12.818
  190    HB3  HIS   5           HB3      HIS   5   7.414   6.945 -12.385
  191    H    LEU   6           H        LEU   6   5.250   5.557 -10.353
  192    HA   LEU   6           HA       LEU   6   4.303   3.567 -12.362
  193    HG   LEU   6           HG       LEU   6   5.881   2.243 -10.129
  194    HB2  LEU   6           HB2      LEU   6   3.860   3.539  -9.348
  195    HB3  LEU   6           HB3      LEU   6   2.880   2.605 -10.481
  196   HD11  LEU   6          HD11      LEU   6   3.562   0.630  -9.003
  197   HD12  LEU   6          HD12      LEU   6   4.662   1.660  -8.069
  198   HD13  LEU   6          HD13      LEU   6   5.283   0.203  -8.868
  199   HD21  LEU   6          HD21      LEU   6   5.484   0.096 -11.318
  200   HD22  LEU   6          HD22      LEU   6   5.074   1.473 -12.344
  201   HD23  LEU   6          HD23      LEU   6   3.781   0.542 -11.562
  202    H    CYS   7           H        CYS   7   2.590   4.364 -13.431
  203    HA   CYS   7           HA       CYS   7   1.015   6.616 -12.229
  204    HB2  CYS   7           HB2      CYS   7   1.937   6.259 -15.094
  205    HB3  CYS   7           HB3      CYS   7   1.005   7.608 -14.477
  206    H    GLY   8           H        GLY   8  -1.095   6.521 -12.441
  207    HA2  GLY   8           HA2      GLY   8  -3.261   5.798 -12.916
  208    HA3  GLY   8           HA3      GLY   8  -2.638   5.962 -14.552
  209    H    SER   9           H        SER   9  -3.095   4.317 -15.812
  210    HA   SER   9           HA       SER   9  -4.205   1.854 -15.005
  211    HG   SER   9           HG       SER   9  -4.861   3.088 -18.323
  212    HB2  SER   9           HB2      SER   9  -2.746   2.462 -17.605
  213    HB3  SER   9           HB3      SER   9  -3.963   1.198 -17.331
  214    H    HIS  10           H        HIS  10  -0.761   2.674 -15.524
  215    HA   HIS  10           HA       HIS  10   0.080  -0.141 -15.373
  216    HD1  HIS  10           HD1      HIS  10   1.315  -0.985 -17.392
  217    HD2  HIS  10           HD2      HIS  10   1.451   3.181 -18.062
  218    HE1  HIS  10           HE1      HIS  10   1.267  -0.657 -19.906
  219    HB2  HIS  10           HB2      HIS  10   1.566   2.485 -15.548
  220    HB3  HIS  10           HB3      HIS  10   2.379   0.932 -15.337
  221    H    LEU  11           H        LEU  11  -0.220   2.584 -13.103
  222    HA   LEU  11           HA       LEU  11   0.984   1.209 -10.845
  223    HG   LEU  11           HG       LEU  11  -1.300   2.520  -8.817
  224    HB2  LEU  11           HB2      LEU  11   0.675   3.626 -10.858
  225    HB3  LEU  11           HB3      LEU  11  -1.058   3.465 -11.071
  226   HD11  LEU  11          HD11      LEU  11   0.937   1.436  -8.538
  227   HD12  LEU  11          HD12      LEU  11   0.544   2.528  -7.207
  228   HD13  LEU  11          HD13      LEU  11   1.678   3.052  -8.458
  229   HD21  LEU  11          HD21      LEU  11   0.268   5.129  -8.994
  230   HD22  LEU  11          HD22      LEU  11  -0.707   4.615  -7.606
  231   HD23  LEU  11          HD23      LEU  11  -1.487   4.920  -9.173
  232    H    VAL  12           H        VAL  12  -2.393   1.466 -12.016
  233    HA   VAL  12           HA       VAL  12  -3.486  -0.342 -10.073
  234    HB   VAL  12           HB       VAL  12  -4.484   0.494 -12.808
  235   HG11  VAL  12          HG11      VAL  12  -6.734  -0.327 -12.115
  236   HG12  VAL  12          HG12      VAL  12  -5.590  -1.656 -12.308
  237   HG13  VAL  12          HG13      VAL  12  -6.004  -1.070 -10.679
  238   HG21  VAL  12          HG21      VAL  12  -4.358   2.283 -11.059
  239   HG22  VAL  12          HG22      VAL  12  -6.024   1.917 -11.503
  240   HG23  VAL  12          HG23      VAL  12  -5.351   1.277  -9.985
  241    H    GLU  13           H        GLU  13  -2.065  -0.986 -13.286
  242    HA   GLU  13           HA       GLU  13  -2.501  -3.809 -13.378
  243    HB2  GLU  13           HB2      GLU  13  -1.810  -2.460 -15.286
  244    HB3  GLU  13           HB3      GLU  13  -0.292  -2.052 -14.494
  245    HG2  GLU  13           HG2      GLU  13   0.488  -4.345 -14.651
  246    HG3  GLU  13           HG3      GLU  13  -1.078  -4.866 -15.293
  247    H    ALA  14           H        ALA  14   0.356  -1.945 -12.160
  248    HA   ALA  14           HA       ALA  14   1.811  -4.192 -11.184
  249    HB1  ALA  14           HB1      ALA  14   1.757  -1.294 -10.215
  250    HB2  ALA  14           HB2      ALA  14   3.005  -2.496  -9.812
  251    HB3  ALA  14           HB3      ALA  14   2.795  -1.959 -11.496
  252    H    LEU  15           H        LEU  15  -0.613  -2.148  -9.502
  253    HA   LEU  15           HA       LEU  15  -0.534  -3.408  -6.970
  254    HG   LEU  15           HG       LEU  15  -3.654  -3.100  -6.398
  255    HB2  LEU  15           HB2      LEU  15  -1.575  -1.230  -7.595
  256    HB3  LEU  15           HB3      LEU  15  -2.816  -2.086  -8.505
  257   HD11  LEU  15          HD11      LEU  15  -2.906  -2.136  -4.236
  258   HD12  LEU  15          HD12      LEU  15  -1.605  -1.267  -5.075
  259   HD13  LEU  15          HD13      LEU  15  -1.608  -3.050  -5.015
  260   HD21  LEU  15          HD21      LEU  15  -3.387  -0.055  -6.416
  261   HD22  LEU  15          HD22      LEU  15  -4.626  -0.974  -5.538
  262   HD23  LEU  15          HD23      LEU  15  -4.595  -0.993  -7.308
  263    H    TYR  16           H        TYR  16  -2.638  -4.195  -9.776
  264    HA   TYR  16           HA       TYR  16  -3.913  -6.481  -8.638
  265    HD1  TYR  16           HD1      TYR  16  -6.205  -7.286  -9.819
  266    HD2  TYR  16           HD2      TYR  16  -3.011  -7.892 -12.655
  267    HE1  TYR  16           HE1      TYR  16  -7.215  -9.451 -10.489
  268    HE2  TYR  16           HE2      TYR  16  -4.020 -10.060 -13.330
  269    HH   TYR  16           HH       TYR  16  -7.064 -11.288 -11.865
  270    HB2  TYR  16           HB2      TYR  16  -4.678  -5.367 -10.707
  271    HB3  TYR  16           HB3      TYR  16  -3.200  -5.817 -11.526
  272    H    LEU  17           H        LEU  17  -0.807  -6.206 -10.388
  273    HA   LEU  17           HA       LEU  17  -0.320  -9.078 -10.413
  274    HG   LEU  17           HG       LEU  17  -0.366  -7.179 -12.704
  275    HB2  LEU  17           HB2      LEU  17   1.445  -6.670 -10.984
  276    HB3  LEU  17           HB3      LEU  17   2.002  -8.330 -11.162
  277   HD11  LEU  17          HD11      LEU  17   1.773  -6.049 -13.285
  278   HD12  LEU  17          HD12      LEU  17   1.191  -7.067 -14.613
  279   HD13  LEU  17          HD13      LEU  17   2.524  -7.636 -13.579
  280   HD21  LEU  17          HD21      LEU  17  -0.045  -9.160 -14.159
  281   HD22  LEU  17          HD22      LEU  17  -0.517  -9.611 -12.522
  282   HD23  LEU  17          HD23      LEU  17   1.181  -9.784 -13.033
  283    H    VAL  18           H        VAL  18   0.758  -6.490  -8.265
  284    HA   VAL  18           HA       VAL  18   2.550  -8.089  -6.668
  285    HB   VAL  18           HB       VAL  18   0.986  -5.557  -6.068
  286   HG11  VAL  18          HG11      VAL  18   3.003  -6.909  -4.217
  287   HG12  VAL  18          HG12      VAL  18   2.390  -5.250  -4.038
  288   HG13  VAL  18          HG13      VAL  18   1.287  -6.608  -3.867
  289   HG21  VAL  18          HG21      VAL  18   3.161  -4.473  -6.207
  290   HG22  VAL  18          HG22      VAL  18   3.993  -6.041  -6.328
  291   HG23  VAL  18          HG23      VAL  18   2.978  -5.474  -7.659
  292    H    CYS  19           H        CYS  19  -0.951  -7.376  -6.358
  293    HA   CYS  19           HA       CYS  19  -1.079  -9.055  -3.926
  294    HB2  CYS  19           HB2      CYS  19  -3.070  -7.189  -5.237
  295    HB3  CYS  19           HB3      CYS  19  -3.296  -8.012  -3.687
  296    H    GLY  20           H        GLY  20  -1.954  -9.478  -7.255
  297    HA2  GLY  20           HA2      GLY  20  -2.804 -11.319  -8.365
  298    HA3  GLY  20           HA3      GLY  20  -2.602 -12.237  -6.869
  299    H    GLU  21           H        GLU  21  -4.450 -13.334  -6.798
  300    HA   GLU  21           HA       GLU  21  -7.005 -12.497  -7.660
  301    HB2  GLU  21           HB2      GLU  21  -6.038 -14.851  -7.307
  302    HB3  GLU  21           HB3      GLU  21  -6.390 -14.650  -5.596
  303    HG2  GLU  21           HG2      GLU  21  -8.133 -15.947  -6.629
  304    HG3  GLU  21           HG3      GLU  21  -8.823 -14.406  -6.165
  305    H    ARG  22           H        ARG  22  -5.417 -11.781  -4.630
  306    HA   ARG  22           HA       ARG  22  -7.641 -11.582  -2.868
  307    HE   ARG  22           HE       ARG  22  -2.425 -11.416  -2.010
  308    HB2  ARG  22           HB2      ARG  22  -5.013 -10.029  -2.900
  309    HB3  ARG  22           HB3      ARG  22  -6.171 -10.054  -1.564
  310    HG2  ARG  22           HG2      ARG  22  -5.922 -12.543  -1.424
  311    HG3  ARG  22           HG3      ARG  22  -4.645 -12.467  -2.647
  312    HD2  ARG  22           HD2      ARG  22  -4.585 -11.039   0.042
  313    HD3  ARG  22           HD3      ARG  22  -3.806 -12.572  -0.305
  314   HH11  ARG  22          HH11      ARG  22  -3.866  -9.196   0.428
  315   HH12  ARG  22          HH12      ARG  22  -2.349  -8.289   0.475
  316   HH21  ARG  22          HH21      ARG  22  -0.590 -10.072  -1.772
  317   HH22  ARG  22          HH22      ARG  22  -0.730  -8.687  -0.686
  318    H    GLY  23           H        GLY  23  -6.388  -9.234  -5.214
  319    HA2  GLY  23           HA2      GLY  23  -7.350  -7.293  -6.087
  320    HA3  GLY  23           HA3      GLY  23  -8.837  -7.677  -5.204
  321    H    PHE  24           H        PHE  24  -8.578  -5.226  -5.274
  322    HA   PHE  24           HA       PHE  24  -7.535  -4.149  -2.718
  323    HD1  PHE  24           HD2      PHE  24  -7.477  -1.373  -5.901
  324    HD2  PHE  24           HD1      PHE  24  -5.595  -5.231  -6.326
  325    HE1  PHE  24           HE2      PHE  24  -7.686  -1.205  -8.363
  326    HE2  PHE  24           HE1      PHE  24  -5.857  -5.087  -8.782
  327    HZ   PHE  24           HZ       PHE  24  -6.894  -3.077  -9.814
  328    HB2  PHE  24           HB2      PHE  24  -6.172  -2.477  -4.005
  329    HB3  PHE  24           HB3      PHE  24  -5.604  -4.122  -4.194
  330    H    PHE  25           H        PHE  25  -7.916  -1.818  -2.522
  331    HA   PHE  25           HA       PHE  25  -9.982  -0.638  -4.307
  332    HD1  PHE  25           HD1      PHE  25 -12.640   0.136  -3.747
  333    HD2  PHE  25           HD2      PHE  25  -9.910   2.031  -0.998
  334    HE1  PHE  25           HE1      PHE  25 -13.876   2.279  -3.989
  335    HE2  PHE  25           HE2      PHE  25 -11.148   4.170  -1.239
  336    HZ   PHE  25           HZ       PHE  25 -13.136   4.296  -2.731
  337    HB2  PHE  25           HB2      PHE  25 -11.131  -1.193  -2.206
  338    HB3  PHE  25           HB3      PHE  25  -9.884  -0.368  -1.278
  339    H    TYR  26           H        TYR  26  -9.330   1.332  -5.090
  340    HA   TYR  26           HA       TYR  26  -7.071   2.783  -3.846
  341    HD1  TYR  26           HD1      TYR  26  -4.650   0.982  -3.855
  342    HD2  TYR  26           HD2      TYR  26  -5.160   3.873  -7.014
  343    HE1  TYR  26           HE1      TYR  26  -2.312   1.739  -3.521
  344    HE2  TYR  26           HE2      TYR  26  -2.823   4.654  -6.656
  345    HH   TYR  26           HH       TYR  26  -0.664   3.218  -4.181
  346    HB2  TYR  26           HB2      TYR  26  -6.425   0.763  -5.514
  347    HB3  TYR  26           HB3      TYR  26  -6.741   1.978  -6.728
  348    H    THR  27           H        THR  27  -6.958   4.924  -4.384
  349    HA   THR  27           HA       THR  27  -8.754   6.076  -6.449
  350    HB   THR  27           HB       THR  27  -9.437   7.798  -4.717
  351    HG1  THR  27           HG1      THR  27  -9.218   7.157  -2.550
  352   HG21  THR  27          HG21      THR  27 -10.321   4.966  -4.026
  353   HG22  THR  27          HG22      THR  27 -10.952   5.924  -5.387
  354   HG23  THR  27          HG23      THR  27 -11.206   6.478  -3.723
  355    HA   PRO  28           HA       PRO  28  -5.289   8.838  -6.928
  356    HB2  PRO  28           HB2      PRO  28  -6.377  11.011  -8.153
  357    HB3  PRO  28           HB3      PRO  28  -6.286   9.409  -8.954
  358    HG2  PRO  28           HG2      PRO  28  -8.651  10.610  -7.464
  359    HG3  PRO  28           HG3      PRO  28  -8.638   9.865  -9.093
  360    HD2  PRO  28           HD2      PRO  28  -9.359   8.455  -6.878
  361    HD3  PRO  28           HD3      PRO  28  -8.447   7.690  -8.209
  362    H    LYS  29           H        LYS  29  -8.033   9.840  -4.997
  363    HA   LYS  29           HA       LYS  29  -6.348  11.514  -3.267
  364    HB2  LYS  29           HB2      LYS  29  -7.173  12.957  -5.171
  365    HB3  LYS  29           HB3      LYS  29  -8.828  12.630  -4.652
  366    HG2  LYS  29           HG2      LYS  29  -8.316  13.671  -2.437
  367    HG3  LYS  29           HG3      LYS  29  -6.671  14.022  -2.997
  368    HD2  LYS  29           HD2      LYS  29  -9.251  15.094  -4.236
  369    HD3  LYS  29           HD3      LYS  29  -8.207  15.973  -3.108
  370    HE2  LYS  29           HE2      LYS  29  -6.328  15.815  -4.730
  371    HE3  LYS  29           HE3      LYS  29  -7.387  14.975  -5.871
  372    HZ1  LYS  29           HZ1      LYS  29  -7.809  17.743  -4.879
  373    HZ2  LYS  29           HZ2      LYS  29  -8.794  16.963  -5.923
  374    HZ3  LYS  29           HZ3      LYS  29  -7.270  17.341  -6.372
  375    H    THR  30           H        THR  30  -7.136  11.691  -1.196
  376    HA   THR  30           HA       THR  30  -9.739  10.929  -0.268
  377    HB   THR  30           HB       THR  30  -9.016   8.683  -0.847
  378    HG1  THR  30           HG1      THR  30 -10.283   8.931   0.972
  379   HG21  THR  30          HG21      THR  30  -7.184   7.538   0.268
  380   HG22  THR  30          HG22      THR  30  -6.710   9.026   1.112
  381   HG23  THR  30          HG23      THR  30  -6.558   8.906  -0.655
  Start of MODEL   37
    1    H1   GLY   1           H1       GLY   1  -4.147  10.903  -1.696
    2    H2   GLY   1           H2       GLY   1  -3.432  11.149  -3.160
    3    H3   GLY   1           H3       GLY   1  -2.565  10.536  -1.912
    4    HA2  GLY   1           HA2      GLY   1  -3.965   8.547  -1.881
    5    HA3  GLY   1           HA3      GLY   1  -4.785   9.187  -3.322
    6    H    ILE   2           H        ILE   2  -3.437   6.678  -3.219
    7    HA   ILE   2           HA       ILE   2  -0.705   6.775  -3.840
    8    HB   ILE   2           HB       ILE   2  -1.990   4.822  -3.021
    9   HG12  ILE   2          HG12      ILE   2  -0.211   4.098  -5.372
   10   HG13  ILE   2          HG13      ILE   2   0.403   4.811  -3.880
   11   HG21  ILE   2          HG21      ILE   2  -2.658   4.291  -5.951
   12   HG22  ILE   2          HG22      ILE   2  -3.042   3.257  -4.563
   13   HG23  ILE   2          HG23      ILE   2  -3.825   4.830  -4.724
   14   HD11  ILE   2          HD11      ILE   2   0.681   2.461  -3.711
   15   HD12  ILE   2          HD12      ILE   2  -0.582   2.925  -2.577
   16   HD13  ILE   2          HD13      ILE   2  -1.023   2.140  -4.115
   17    H    VAL   3           H        VAL   3  -3.338   7.155  -6.144
   18    HA   VAL   3           HA       VAL   3  -1.683   6.679  -8.464
   19    HB   VAL   3           HB       VAL   3  -4.250   8.266  -8.318
   20   HG11  VAL   3          HG11      VAL   3  -4.482   7.685 -10.741
   21   HG12  VAL   3          HG12      VAL   3  -3.171   8.813 -10.427
   22   HG13  VAL   3          HG13      VAL   3  -2.810   7.096 -10.731
   23   HG21  VAL   3          HG21      VAL   3  -3.754   5.370  -9.075
   24   HG22  VAL   3          HG22      VAL   3  -4.475   5.882  -7.558
   25   HG23  VAL   3          HG23      VAL   3  -5.332   6.201  -9.075
   26    H    GLU   4           H        GLU   4  -1.993   9.523  -6.406
   27    HA   GLU   4           HA       GLU   4  -0.358  11.166  -8.281
   28    HB2  GLU   4           HB2      GLU   4  -1.453  11.778  -5.513
   29    HB3  GLU   4           HB3      GLU   4  -0.427  12.858  -6.479
   30    HG2  GLU   4           HG2      GLU   4  -2.170  12.725  -8.317
   31    HG3  GLU   4           HG3      GLU   4  -3.223  11.880  -7.181
   32    H    GLN   5           H        GLN   5  -0.103   9.638  -5.008
   33    HA   GLN   5           HA       GLN   5   2.547  10.491  -4.482
   34    HB2  GLN   5           HB2      GLN   5   1.079   9.635  -2.740
   35    HB3  GLN   5           HB3      GLN   5   1.004   8.057  -3.519
   36    HG2  GLN   5           HG2      GLN   5   2.478   8.008  -1.563
   37    HG3  GLN   5           HG3      GLN   5   3.340   7.605  -3.028
   38   HE21  GLN   5          HE21      GLN   5   5.437   8.500  -2.987
   39   HE22  GLN   5          HE22      GLN   5   5.795  10.051  -2.239
   40    H    CYS   6           H        CYS   6   1.487   7.418  -6.104
   41    HA   CYS   6           HA       CYS   6   4.259   6.519  -6.276
   42    HB2  CYS   6           HB2      CYS   6   1.907   5.213  -6.172
   43    HB3  CYS   6           HB3      CYS   6   2.094   5.282  -7.923
   44    H    CYS   7           H        CYS   7   2.330   8.553  -8.259
   45    HA   CYS   7           HA       CYS   7   3.898   7.937 -10.731
   46    HB2  CYS   7           HB2      CYS   7   1.425   7.897 -10.837
   47    HB3  CYS   7           HB3      CYS   7   1.384   9.581 -10.311
   48    H    THR   8           H        THR   8   2.773  10.856  -8.947
   49    HA   THR   8           HA       THR   8   4.524  12.670 -10.407
   50    HB   THR   8           HB       THR   8   2.866  13.117  -7.884
   51    HG1  THR   8           HG1      THR   8   1.331  13.872  -9.422
   52   HG21  THR   8          HG21      THR   8   4.472  14.939  -8.260
   53   HG22  THR   8          HG22      THR   8   2.834  15.479  -8.645
   54   HG23  THR   8          HG23      THR   8   3.969  15.062  -9.960
   55    H    SER   9           H        SER   9   4.460  11.250  -7.165
   56    HA   SER   9           HA       SER   9   7.418  11.702  -6.946
   57    HG   SER   9           HG       SER   9   7.468  11.807  -3.536
   58    HB2  SER   9           HB2      SER   9   6.077  12.605  -5.047
   59    HB3  SER   9           HB3      SER   9   5.488  10.972  -4.714
   60    H    ILE  10           H        ILE  10   7.493   9.372  -5.096
   61    HA   ILE  10           HA       ILE  10   7.105   7.124  -7.047
   62    HB   ILE  10           HB       ILE  10   9.162   6.105  -6.182
   63   HG12  ILE  10          HG12      ILE  10   9.630   8.738  -4.705
   64   HG13  ILE  10          HG13      ILE  10   9.283   7.174  -3.968
   65   HG21  ILE  10          HG21      ILE  10   9.711   8.873  -7.306
   66   HG22  ILE  10          HG22      ILE  10  10.677   7.398  -7.519
   67   HG23  ILE  10          HG23      ILE  10   9.081   7.506  -8.247
   68   HD11  ILE  10          HD11      ILE  10  11.783   7.926  -5.522
   69   HD12  ILE  10          HD12      ILE  10  11.640   7.551  -3.798
   70   HD13  ILE  10          HD13      ILE  10  11.404   6.271  -4.998
   71    H    CYS  11           H        CYS  11   6.844   5.017  -6.163
   72    HA   CYS  11           HA       CYS  11   6.643   4.737  -3.302
   73    HB2  CYS  11           HB2      CYS  11   4.481   4.240  -2.928
   74    HB3  CYS  11           HB3      CYS  11   4.286   5.486  -4.133
   75    H    SER  12           H        SER  12   6.099   2.429  -2.665
   76    HA   SER  12           HA       SER  12   7.702   0.621  -4.447
   77    HG   SER  12           HG       SER  12   9.447  -0.738  -1.760
   78    HB2  SER  12           HB2      SER  12   8.793   1.357  -2.300
   79    HB3  SER  12           HB3      SER  12   7.491   0.549  -1.415
   80    H    LEU  13           H        LEU  13   7.347  -1.693  -4.003
   81    HA   LEU  13           HA       LEU  13   4.641  -2.519  -4.532
   82    HG   LEU  13           HG       LEU  13   7.776  -3.132  -5.552
   83    HB2  LEU  13           HB2      LEU  13   6.997  -4.124  -3.480
   84    HB3  LEU  13           HB3      LEU  13   5.559  -4.770  -4.241
   85   HD11  LEU  13          HD11      LEU  13   6.797  -5.971  -6.062
   86   HD12  LEU  13          HD12      LEU  13   8.245  -5.534  -5.140
   87   HD13  LEU  13          HD13      LEU  13   8.153  -5.156  -6.869
   88   HD21  LEU  13          HD21      LEU  13   6.602  -3.443  -7.712
   89   HD22  LEU  13          HD22      LEU  13   5.706  -2.392  -6.612
   90   HD23  LEU  13          HD23      LEU  13   5.192  -4.088  -6.841
   91    H    TYR  14           H        TYR  14   6.532  -2.270  -1.558
   92    HA   TYR  14           HA       TYR  14   4.724  -3.441   0.269
   93    HD1  TYR  14           HD2      TYR  14   6.431  -4.746   1.199
   94    HD2  TYR  14           HD1      TYR  14   8.803  -1.187   0.619
   95    HE1  TYR  14           HE2      TYR  14   8.499  -6.116   1.275
   96    HE2  TYR  14           HE1      TYR  14  10.873  -2.558   0.696
   97    HH   TYR  14           HH       TYR  14  10.804  -6.103   1.220
   98    HB2  TYR  14           HB2      TYR  14   6.486  -0.994   0.650
   99    HB3  TYR  14           HB3      TYR  14   5.837  -1.997   1.931
  100    H    GLN  15           H        GLN  15   4.599  -0.280  -1.273
  101    HA   GLN  15           HA       GLN  15   2.397   0.723   0.440
  102    HB2  GLN  15           HB2      GLN  15   3.675   1.946  -2.039
  103    HB3  GLN  15           HB3      GLN  15   2.501   2.718  -0.993
  104    HG2  GLN  15           HG2      GLN  15   5.332   1.883  -0.188
  105    HG3  GLN  15           HG3      GLN  15   4.760   3.517  -0.479
  106   HE21  GLN  15          HE21      GLN  15   2.993   4.359   1.058
  107   HE22  GLN  15          HE22      GLN  15   3.024   3.728   2.696
  108    H    LEU  16           H        LEU  16   2.854  -0.651  -2.834
  109    HA   LEU  16           HA       LEU  16   0.089  -0.503  -3.627
  110    HG   LEU  16           HG       LEU  16   3.070  -0.505  -5.017
  111    HB2  LEU  16           HB2      LEU  16   2.147  -2.656  -4.285
  112    HB3  LEU  16           HB3      LEU  16   0.666  -2.360  -5.149
  113   HD11  LEU  16          HD11      LEU  16   1.885  -2.046  -7.352
  114   HD12  LEU  16          HD12      LEU  16   3.314  -2.547  -6.434
  115   HD13  LEU  16          HD13      LEU  16   3.353  -1.047  -7.371
  116   HD21  LEU  16          HD21      LEU  16   0.986   0.835  -5.193
  117   HD22  LEU  16          HD22      LEU  16   0.494  -0.125  -6.599
  118   HD23  LEU  16          HD23      LEU  16   1.950   0.897  -6.668
  119    H    GLU  17           H        GLU  17   1.876  -2.989  -1.759
  120    HA   GLU  17           HA       GLU  17  -0.380  -4.637  -1.195
  121    HB2  GLU  17           HB2      GLU  17   2.076  -5.204  -0.919
  122    HB3  GLU  17           HB3      GLU  17   2.080  -4.229   0.554
  123    HG2  GLU  17           HG2      GLU  17   0.337  -5.710   1.528
  124    HG3  GLU  17           HG3      GLU  17   0.304  -6.654   0.033
  125    H    ASN  18           H        ASN  18   0.850  -1.718   0.545
  126    HA   ASN  18           HA       ASN  18  -0.873  -1.926   2.799
  127    HB2  ASN  18           HB2      ASN  18   1.135  -0.460   2.623
  128    HB3  ASN  18           HB3      ASN  18   0.256   0.574   1.483
  129   HD21  ASN  18          HD21      ASN  18   0.087  -0.727   4.852
  130   HD22  ASN  18          HD22      ASN  18  -0.761   0.671   5.483
  131    H    TYR  19           H        TYR  19  -1.527  -0.710  -0.453
  132    HA   TYR  19           HA       TYR  19  -4.230   0.264   0.229
  133    HD1  TYR  19           HD1      TYR  19  -1.770   2.125  -0.168
  134    HD2  TYR  19           HD2      TYR  19  -5.251   2.275  -2.703
  135    HE1  TYR  19           HE1      TYR  19  -1.980   4.566   0.264
  136    HE2  TYR  19           HE2      TYR  19  -5.459   4.714  -2.283
  137    HH   TYR  19           HH       TYR  19  -3.168   6.489  -0.170
  138    HB2  TYR  19           HB2      TYR  19  -2.415   0.314  -2.151
  139    HB3  TYR  19           HB3      TYR  19  -4.126   0.269  -2.486
  140    H    CYS  20           H        CYS  20  -3.060  -2.825  -0.041
  141    HA   CYS  20           HA       CYS  20  -5.316  -4.008  -1.515
  142    HB2  CYS  20           HB2      CYS  20  -2.911  -4.818  -1.459
  143    HB3  CYS  20           HB3      CYS  20  -3.258  -5.402   0.181
  144    H    ASN  21           H        ASN  21  -6.596  -5.740  -0.537
  145    HA   ASN  21           HA       ASN  21  -7.500  -5.206   2.251
  146    HB2  ASN  21           HB2      ASN  21  -8.674  -6.936   0.019
  147    HB3  ASN  21           HB3      ASN  21  -9.322  -6.835   1.646
  148   HD21  ASN  21          HD21      ASN  21  -8.866  -5.048  -1.356
  149   HD22  ASN  21          HD22      ASN  21 -10.061  -3.798  -0.983
  150    HA   PHE   1           HA       PHE   1  10.455  -5.557  -4.624
  151    HD1  PHE   1           HD2      PHE   1   8.178  -5.944  -2.743
  152    HD2  PHE   1           HD1      PHE   1  11.941  -7.207  -1.036
  153    HE1  PHE   1           HE2      PHE   1   7.081  -7.960  -1.809
  154    HE2  PHE   1           HE1      PHE   1  10.834  -9.236  -0.117
  155    HZ   PHE   1           HZ       PHE   1   8.405  -9.607  -0.500
  156    H1   PHE   1           H1       PHE   1  12.540  -6.615  -5.089
  157    H2   PHE   1           H2       PHE   1  11.828  -7.347  -3.808
  158    H3   PHE   1           H3       PHE   1  13.089  -6.328  -3.577
  159    HB2  PHE   1           HB2      PHE   1  11.652  -4.920  -1.893
  160    HB3  PHE   1           HB3      PHE   1  10.103  -4.370  -2.500
  161    H    VAL   2           H        VAL   2  10.189  -3.227  -5.016
  162    HA   VAL   2           HA       VAL   2  12.610  -1.553  -5.106
  163    HB   VAL   2           HB       VAL   2  12.222  -0.926  -7.495
  164   HG11  VAL   2          HG11      VAL   2  13.089  -3.818  -7.188
  165   HG12  VAL   2          HG12      VAL   2  13.531  -2.687  -8.476
  166   HG13  VAL   2          HG13      VAL   2  14.099  -2.395  -6.823
  167   HG21  VAL   2          HG21      VAL   2   9.946  -1.862  -7.859
  168   HG22  VAL   2          HG22      VAL   2  11.104  -2.474  -9.037
  169   HG23  VAL   2          HG23      VAL   2  10.595  -3.506  -7.690
  170    H    ASN   3           H        ASN   3  12.264   0.563  -5.136
  171    HA   ASN   3           HA       ASN   3   9.483   1.628  -5.016
  172    HB2  ASN   3           HB2      ASN   3  10.987   1.969  -3.093
  173    HB3  ASN   3           HB3      ASN   3  12.121   2.851  -4.111
  174   HD21  ASN   3          HD21      ASN   3  11.423   4.229  -1.969
  175   HD22  ASN   3          HD22      ASN   3  10.183   5.418  -2.332
  176    H    GLN   4           H        GLN   4   8.802   3.032  -6.511
  177    HA   GLN   4           HA       GLN   4  10.525   3.751  -8.846
  178    HB2  GLN   4           HB2      GLN   4   8.226   1.734  -8.828
  179    HB3  GLN   4           HB3      GLN   4   8.825   2.469 -10.305
  180    HG2  GLN   4           HG2      GLN   4  10.513   0.702  -8.482
  181    HG3  GLN   4           HG3      GLN   4   9.661   0.173  -9.918
  182   HE21  GLN   4          HE21      GLN   4  12.432   2.134  -8.781
  183   HE22  GLN   4          HE22      GLN   4  13.188   2.213 -10.375
  184    H    HIS   5           H        HIS   5   9.412   4.930 -10.547
  185    HA   HIS   5           HA       HIS   5   6.972   6.440  -9.770
  186    HD1  HIS   5           HD1      HIS   5   7.030   9.424 -10.378
  187    HD2  HIS   5           HD2      HIS   5  10.835   7.820 -11.196
  188    HE1  HIS   5           HE1      HIS   5   8.712  11.182  -9.663
  189    HB2  HIS   5           HB2      HIS   5   8.777   6.509 -12.231
  190    HB3  HIS   5           HB3      HIS   5   7.222   7.311 -12.145
  191    H    LEU   6           H        LEU   6   5.062   5.510 -10.171
  192    HA   LEU   6           HA       LEU   6   4.638   3.697 -12.492
  193    HG   LEU   6           HG       LEU   6   6.150   2.325 -10.225
  194    HB2  LEU   6           HB2      LEU   6   3.882   3.235  -9.583
  195    HB3  LEU   6           HB3      LEU   6   3.177   2.325 -10.917
  196   HD11  LEU   6          HD11      LEU   6   5.712   0.076  -9.279
  197   HD12  LEU   6          HD12      LEU   6   3.968   0.307  -9.552
  198   HD13  LEU   6          HD13      LEU   6   4.842   1.337  -8.399
  199   HD21  LEU   6          HD21      LEU   6   5.712   1.728 -12.591
  200   HD22  LEU   6          HD22      LEU   6   4.500   0.528 -12.070
  201   HD23  LEU   6          HD23      LEU   6   6.217   0.307 -11.673
  202    H    CYS   7           H        CYS   7   2.885   4.308 -13.626
  203    HA   CYS   7           HA       CYS   7   0.880   6.178 -12.426
  204    HB2  CYS   7           HB2      CYS   7   2.267   6.363 -15.121
  205    HB3  CYS   7           HB3      CYS   7   0.998   7.446 -14.556
  206    H    GLY   8           H        GLY   8  -1.177   5.937 -13.137
  207    HA2  GLY   8           HA2      GLY   8  -3.074   5.076 -14.174
  208    HA3  GLY   8           HA3      GLY   8  -2.062   5.196 -15.612
  209    H    SER   9           H        SER   9  -2.215   3.416 -16.801
  210    HA   SER   9           HA       SER   9  -3.180   0.897 -15.937
  211    HG   SER   9           HG       SER   9  -3.476   1.792 -19.410
  212    HB2  SER   9           HB2      SER   9  -1.433   1.507 -18.349
  213    HB3  SER   9           HB3      SER   9  -2.513   0.112 -18.135
  214    H    HIS  10           H        HIS  10   0.181   2.107 -16.060
  215    HA   HIS  10           HA       HIS  10   1.375  -0.534 -15.596
  216    HD1  HIS  10           HD1      HIS  10   3.421  -0.708 -17.626
  217    HD2  HIS  10           HD2      HIS  10   2.141   3.301 -17.732
  218    HE1  HIS  10           HE1      HIS  10   3.466  -0.014 -20.074
  219    HB2  HIS  10           HB2      HIS  10   2.484   2.293 -15.327
  220    HB3  HIS  10           HB3      HIS  10   3.433   0.815 -15.226
  221    H    LEU  11           H        LEU  11   0.339   2.203 -13.544
  222    HA   LEU  11           HA       LEU  11   1.248   1.051 -11.052
  223    HG   LEU  11           HG       LEU  11  -1.261   2.151  -9.374
  224    HB2  LEU  11           HB2      LEU  11   0.690   3.446 -11.317
  225    HB3  LEU  11           HB3      LEU  11  -0.986   3.048 -11.660
  226   HD11  LEU  11          HD11      LEU  11   1.022   1.421  -8.844
  227   HD12  LEU  11          HD12      LEU  11   0.488   2.629  -7.661
  228   HD13  LEU  11          HD13      LEU  11   1.604   3.098  -8.958
  229   HD21  LEU  11          HD21      LEU  11  -1.728   4.538  -9.903
  230   HD22  LEU  11          HD22      LEU  11  -0.069   4.962  -9.431
  231   HD23  LEU  11          HD23      LEU  11  -1.202   4.320  -8.226
  232    H    VAL  12           H        VAL  12  -1.912   0.946 -12.762
  233    HA   VAL  12           HA       VAL  12  -3.177  -0.832 -10.929
  234    HB   VAL  12           HB       VAL  12  -3.664  -0.417 -13.907
  235   HG11  VAL  12          HG11      VAL  12  -5.904  -1.482 -13.527
  236   HG12  VAL  12          HG12      VAL  12  -4.577  -2.632 -13.387
  237   HG13  VAL  12          HG13      VAL  12  -5.358  -1.998 -11.918
  238   HG21  VAL  12          HG21      VAL  12  -5.211   0.513 -11.438
  239   HG22  VAL  12          HG22      VAL  12  -4.133   1.531 -12.412
  240   HG23  VAL  12          HG23      VAL  12  -5.611   0.881 -13.126
  241    H    GLU  13           H        GLU  13  -1.165  -1.607 -13.808
  242    HA   GLU  13           HA       GLU  13  -1.435  -4.429 -13.674
  243    HB2  GLU  13           HB2      GLU  13  -0.526  -3.162 -15.575
  244    HB3  GLU  13           HB3      GLU  13   0.911  -2.744 -14.635
  245    HG2  GLU  13           HG2      GLU  13   1.570  -5.109 -14.510
  246    HG3  GLU  13           HG3      GLU  13   0.066  -5.593 -15.306
  247    H    ALA  14           H        ALA  14   1.076  -2.292 -12.200
  248    HA   ALA  14           HA       ALA  14   2.528  -4.393 -10.904
  249    HB1  ALA  14           HB1      ALA  14   3.414  -2.115 -11.314
  250    HB2  ALA  14           HB2      ALA  14   2.239  -1.442 -10.161
  251    HB3  ALA  14           HB3      ALA  14   3.517  -2.536  -9.600
  252    H    LEU  15           H        LEU  15  -0.107  -2.293  -9.688
  253    HA   LEU  15           HA       LEU  15  -0.276  -3.312  -7.050
  254    HG   LEU  15           HG       LEU  15  -3.513  -2.830  -6.933
  255    HB2  LEU  15           HB2      LEU  15  -1.183  -1.193  -7.948
  256    HB3  LEU  15           HB3      LEU  15  -2.352  -2.080  -8.915
  257   HD11  LEU  15          HD11      LEU  15  -2.955  -1.940  -4.674
  258   HD12  LEU  15          HD12      LEU  15  -1.451  -1.260  -5.336
  259   HD13  LEU  15          HD13      LEU  15  -1.704  -3.027  -5.290
  260   HD21  LEU  15          HD21      LEU  15  -2.902   0.166  -6.897
  261   HD22  LEU  15          HD22      LEU  15  -4.322  -0.600  -6.176
  262   HD23  LEU  15          HD23      LEU  15  -4.096  -0.643  -7.935
  263    H    TYR  16           H        TYR  16  -2.007  -4.345 -10.011
  264    HA   TYR  16           HA       TYR  16  -3.398  -6.541  -8.811
  265    HD1  TYR  16           HD2      TYR  16  -5.852  -7.108 -10.501
  266    HD2  TYR  16           HD1      TYR  16  -2.156  -8.380 -12.336
  267    HE1  TYR  16           HE2      TYR  16  -6.909  -9.257 -11.126
  268    HE2  TYR  16           HE1      TYR  16  -3.220 -10.543 -12.962
  269    HH   TYR  16           HH       TYR  16  -6.633 -11.303 -12.147
  270    HB2  TYR  16           HB2      TYR  16  -4.023  -5.507 -10.952
  271    HB3  TYR  16           HB3      TYR  16  -2.513  -6.039 -11.681
  272    H    LEU  17           H        LEU  17  -0.112  -6.355 -10.210
  273    HA   LEU  17           HA       LEU  17   0.355  -9.214  -9.950
  274    HG   LEU  17           HG       LEU  17   0.749  -7.679 -12.351
  275    HB2  LEU  17           HB2      LEU  17   2.178  -6.822 -10.395
  276    HB3  LEU  17           HB3      LEU  17   2.809  -8.456 -10.244
  277   HD11  LEU  17          HD11      LEU  17   3.785  -7.882 -12.580
  278   HD12  LEU  17          HD12      LEU  17   2.837  -6.385 -12.674
  279   HD13  LEU  17          HD13      LEU  17   2.656  -7.617 -13.927
  280   HD21  LEU  17          HD21      LEU  17   0.806 -10.097 -11.896
  281   HD22  LEU  17          HD22      LEU  17   2.574 -10.105 -12.077
  282   HD23  LEU  17          HD23      LEU  17   1.529  -9.751 -13.467
  283    H    VAL  18           H        VAL  18   0.917  -6.513  -7.765
  284    HA   VAL  18           HA       VAL  18   2.266  -8.155  -5.755
  285    HB   VAL  18           HB       VAL  18   0.787  -5.524  -5.457
  286   HG11  VAL  18          HG11      VAL  18   2.558  -6.925  -3.411
  287   HG12  VAL  18          HG12      VAL  18   1.994  -5.246  -3.302
  288   HG13  VAL  18          HG13      VAL  18   0.833  -6.565  -3.236
  289   HG21  VAL  18          HG21      VAL  18   2.902  -5.420  -6.838
  290   HG22  VAL  18          HG22      VAL  18   3.107  -4.576  -5.298
  291   HG23  VAL  18          HG23      VAL  18   3.783  -6.199  -5.521
  292    H    CYS  19           H        CYS  19  -1.141  -7.158  -6.256
  293    HA   CYS  19           HA       CYS  19  -1.963  -9.079  -4.121
  294    HB2  CYS  19           HB2      CYS  19  -1.392  -6.485  -3.568
  295    HB3  CYS  19           HB3      CYS  19  -3.110  -6.355  -3.928
  296    H    GLY  20           H        GLY  20  -2.687  -8.542  -7.184
  297    HA2  GLY  20           HA2      GLY  20  -5.396  -7.740  -7.300
  298    HA3  GLY  20           HA3      GLY  20  -4.548  -8.694  -8.540
  299    H    GLU  21           H        GLU  21  -4.162 -10.958  -6.561
  300    HA   GLU  21           HA       GLU  21  -6.688 -12.328  -6.944
  301    HB2  GLU  21           HB2      GLU  21  -5.628 -14.210  -5.877
  302    HB3  GLU  21           HB3      GLU  21  -4.561 -13.493  -7.077
  303    HG2  GLU  21           HG2      GLU  21  -3.285 -12.357  -5.234
  304    HG3  GLU  21           HG3      GLU  21  -4.344 -13.136  -4.052
  305    H    ARG  22           H        ARG  22  -5.423 -10.382  -4.348
  306    HA   ARG  22           HA       ARG  22  -7.542 -11.216  -2.417
  307    HE   ARG  22           HE       ARG  22  -5.124  -9.408   0.719
  308    HB2  ARG  22           HB2      ARG  22  -5.114  -9.400  -2.249
  309    HB3  ARG  22           HB3      ARG  22  -6.345  -9.480  -0.987
  310    HG2  ARG  22           HG2      ARG  22  -5.894 -11.828  -0.572
  311    HG3  ARG  22           HG3      ARG  22  -4.813 -11.922  -1.967
  312    HD2  ARG  22           HD2      ARG  22  -3.522 -11.830   0.069
  313    HD3  ARG  22           HD3      ARG  22  -3.223 -10.390  -0.910
  314   HH11  ARG  22          HH11      ARG  22  -2.257 -11.289   1.626
  315   HH12  ARG  22          HH12      ARG  22  -2.221 -10.596   3.222
  316   HH21  ARG  22          HH21      ARG  22  -5.035  -8.591   2.712
  317   HH22  ARG  22          HH22      ARG  22  -3.775  -9.058   3.836
  318    H    GLY  23           H        GLY  23  -6.451  -8.451  -4.362
  319    HA2  GLY  23           HA2      GLY  23  -7.850  -6.950  -5.501
  320    HA3  GLY  23           HA3      GLY  23  -9.191  -7.277  -4.377
  321    H    PHE  24           H        PHE  24  -7.866  -4.802  -5.374
  322    HA   PHE  24           HA       PHE  24  -6.865  -3.563  -2.849
  323    HD1  PHE  24           HD1      PHE  24  -6.704  -1.374  -6.477
  324    HD2  PHE  24           HD2      PHE  24  -5.222  -5.424  -6.270
  325    HE1  PHE  24           HE1      PHE  24  -6.935  -1.587  -8.937
  326    HE2  PHE  24           HE2      PHE  24  -5.470  -5.626  -8.729
  327    HZ   PHE  24           HZ       PHE  24  -6.314  -3.715 -10.070
  328    HB2  PHE  24           HB2      PHE  24  -5.393  -2.275  -4.445
  329    HB3  PHE  24           HB3      PHE  24  -5.069  -3.997  -4.351
  330    H    PHE  25           H        PHE  25  -6.950  -1.336  -2.630
  331    HA   PHE  25           HA       PHE  25  -9.213   0.117  -3.894
  332    HD1  PHE  25           HD2      PHE  25 -10.752   1.686  -3.010
  333    HD2  PHE  25           HD1      PHE  25  -7.215   2.998  -0.911
  334    HE1  PHE  25           HE2      PHE  25 -11.643   3.998  -2.941
  335    HE2  PHE  25           HE1      PHE  25  -8.120   5.298  -0.828
  336    HZ   PHE  25           HZ       PHE  25 -10.337   5.808  -1.843
  337    HB2  PHE  25           HB2      PHE  25  -9.013   0.129  -1.426
  338    HB3  PHE  25           HB3      PHE  25  -7.375   0.750  -1.550
  339    H    TYR  26           H        TYR  26  -8.755   2.288  -4.688
  340    HA   TYR  26           HA       TYR  26  -6.081   2.970  -5.703
  341    HD1  TYR  26           HD1      TYR  26  -4.636   1.769  -8.064
  342    HD2  TYR  26           HD2      TYR  26  -8.293   3.764  -9.167
  343    HE1  TYR  26           HE1      TYR  26  -3.527   2.666 -10.097
  344    HE2  TYR  26           HE2      TYR  26  -7.178   4.696 -11.185
  345    HH   TYR  26           HH       TYR  26  -3.762   3.961 -11.998
  346    HB2  TYR  26           HB2      TYR  26  -6.800   1.080  -7.135
  347    HB3  TYR  26           HB3      TYR  26  -8.279   1.926  -7.536
  348    H    THR  27           H        THR  27  -5.980   5.156  -5.842
  349    HA   THR  27           HA       THR  27  -8.060   6.844  -6.875
  350    HB   THR  27           HB       THR  27  -9.113   6.360  -4.712
  351    HG1  THR  27           HG1      THR  27  -9.318   8.581  -4.129
  352   HG21  THR  27          HG21      THR  27  -6.725   7.774  -3.440
  353   HG22  THR  27          HG22      THR  27  -7.062   6.028  -3.318
  354   HG23  THR  27          HG23      THR  27  -8.189   7.209  -2.623
  355    HA   PRO  28           HA       PRO  28  -4.488   9.698  -6.703
  356    HB2  PRO  28           HB2      PRO  28  -5.607  11.942  -7.747
  357    HB3  PRO  28           HB3      PRO  28  -5.232  10.509  -8.758
  358    HG2  PRO  28           HG2      PRO  28  -7.896  11.279  -7.516
  359    HG3  PRO  28           HG3      PRO  28  -7.560  10.803  -9.214
  360    HD2  PRO  28           HD2      PRO  28  -8.477   9.032  -7.344
  361    HD3  PRO  28           HD3      PRO  28  -7.351   8.538  -8.634
  362    H    LYS  29           H        LYS  29  -7.632  10.176  -5.177
  363    HA   LYS  29           HA       LYS  29  -6.566  12.472  -3.589
  364    HB2  LYS  29           HB2      LYS  29  -8.224  12.927  -5.352
  365    HB3  LYS  29           HB3      LYS  29  -9.376  11.831  -4.568
  366    HG2  LYS  29           HG2      LYS  29  -9.388  13.280  -2.546
  367    HG3  LYS  29           HG3      LYS  29  -8.171  14.342  -3.291
  368    HD2  LYS  29           HD2      LYS  29  -9.773  14.866  -5.119
  369    HD3  LYS  29           HD3      LYS  29 -10.991  13.819  -4.357
  370    HE2  LYS  29           HE2      LYS  29 -10.901  15.243  -2.306
  371    HE3  LYS  29           HE3      LYS  29  -9.699  16.282  -3.090
  372    HZ1  LYS  29           HZ1      LYS  29 -11.356  16.834  -4.771
  373    HZ2  LYS  29           HZ2      LYS  29 -11.925  17.203  -3.287
  374    HZ3  LYS  29           HZ3      LYS  29 -12.472  15.871  -4.056
  375    H    THR  30           H        THR  30  -6.479  12.316  -1.474
  376    HA   THR  30           HA       THR  30  -7.074   9.847  -0.093
  377    HB   THR  30           HB       THR  30  -6.179  12.478   1.127
  378    HG1  THR  30           HG1      THR  30  -4.100  11.730   0.687
  379   HG21  THR  30          HG21      THR  30  -5.674   9.562   1.889
  380   HG22  THR  30          HG22      THR  30  -6.740  10.695   2.759
  381   HG23  THR  30          HG23      THR  30  -4.995  10.986   2.716
  Start of MODEL   38
    1    H1   GLY   1           H1       GLY   1  -4.172  10.459  -1.488
    2    H2   GLY   1           H2       GLY   1  -5.748  10.659  -1.889
    3    H3   GLY   1           H3       GLY   1  -4.562  11.082  -2.951
    4    HA2  GLY   1           HA2      GLY   1  -5.140   8.330  -2.033
    5    HA3  GLY   1           HA3      GLY   1  -5.604   8.981  -3.616
    6    H    ILE   2           H        ILE   2  -3.907   6.674  -3.241
    7    HA   ILE   2           HA       ILE   2  -1.189   7.374  -2.853
    8    HB   ILE   2           HB       ILE   2  -0.613   5.107  -3.421
    9   HG12  ILE   2          HG12      ILE   2  -3.518   4.570  -4.174
   10   HG13  ILE   2          HG13      ILE   2  -2.246   4.838  -5.365
   11   HG21  ILE   2          HG21      ILE   2  -1.872   4.038  -1.654
   12   HG22  ILE   2          HG22      ILE   2  -1.576   5.719  -1.204
   13   HG23  ILE   2          HG23      ILE   2  -3.183   5.214  -1.782
   14   HD11  ILE   2          HD11      ILE   2  -2.329   2.576  -3.319
   15   HD12  ILE   2          HD12      ILE   2  -2.543   2.462  -5.064
   16   HD13  ILE   2          HD13      ILE   2  -0.964   2.909  -4.410
   17    H    VAL   3           H        VAL   3  -2.865   7.462  -5.867
   18    HA   VAL   3           HA       VAL   3  -0.694   7.468  -7.697
   19    HB   VAL   3           HB       VAL   3  -3.019   9.428  -7.808
   20   HG11  VAL   3          HG11      VAL   3  -2.723   9.242 -10.275
   21   HG12  VAL   3          HG12      VAL   3  -1.293   9.908  -9.491
   22   HG13  VAL   3          HG13      VAL   3  -1.312   8.206 -10.011
   23   HG21  VAL   3          HG21      VAL   3  -3.937   7.170  -7.532
   24   HG22  VAL   3          HG22      VAL   3  -4.228   7.757  -9.169
   25   HG23  VAL   3          HG23      VAL   3  -2.935   6.581  -8.878
   26    H    GLU   4           H        GLU   4  -1.755   9.981  -5.373
   27    HA   GLU   4           HA       GLU   4  -0.067  12.074  -6.448
   28    HB2  GLU   4           HB2      GLU   4  -1.345  11.813  -3.688
   29    HB3  GLU   4           HB3      GLU   4  -0.694  13.290  -4.392
   30    HG2  GLU   4           HG2      GLU   4  -2.420  13.251  -6.153
   31    HG3  GLU   4           HG3      GLU   4  -3.093  11.760  -5.502
   32    H    GLN   5           H        GLN   5   0.654   9.333  -4.514
   33    HA   GLN   5           HA       GLN   5   3.352  10.450  -3.941
   34    HB2  GLN   5           HB2      GLN   5   2.433   9.024  -2.146
   35    HB3  GLN   5           HB3      GLN   5   2.175   7.717  -3.292
   36    HG2  GLN   5           HG2      GLN   5   4.208   7.295  -2.026
   37    HG3  GLN   5           HG3      GLN   5   4.625   7.585  -3.707
   38   HE21  GLN   5          HE21      GLN   5   6.863   8.152  -3.096
   39   HE22  GLN   5          HE22      GLN   5   7.158   9.693  -2.299
   40    H    CYS   6           H        CYS   6   2.107   7.415  -5.434
   41    HA   CYS   6           HA       CYS   6   4.542   6.783  -6.570
   42    HB2  CYS   6           HB2      CYS   6   1.702   6.017  -7.328
   43    HB3  CYS   6           HB3      CYS   6   3.105   5.253  -8.042
   44    H    CYS   7           H        CYS   7   2.230   8.940  -8.043
   45    HA   CYS   7           HA       CYS   7   3.448   8.638 -10.742
   46    HB2  CYS   7           HB2      CYS   7   0.971   8.757 -10.233
   47    HB3  CYS   7           HB3      CYS   7   1.191  10.456  -9.844
   48    H    THR   8           H        THR   8   3.605  10.766  -7.998
   49    HA   THR   8           HA       THR   8   4.959  12.975  -9.493
   50    HB   THR   8           HB       THR   8   3.720  12.913  -6.704
   51    HG1  THR   8           HG1      THR   8   1.992  13.975  -7.729
   52   HG21  THR   8          HG21      THR   8   5.309  14.774  -6.932
   53   HG22  THR   8          HG22      THR   8   3.656  15.393  -6.975
   54   HG23  THR   8          HG23      THR   8   4.580  15.241  -8.490
   55    H    SER   9           H        SER   9   5.462  10.573  -6.962
   56    HA   SER   9           HA       SER   9   8.346  11.015  -7.136
   57    HG   SER   9           HG       SER   9   9.174  11.668  -3.816
   58    HB2  SER   9           HB2      SER   9   7.604  12.483  -5.254
   59    HB3  SER   9           HB3      SER   9   6.969  11.041  -4.432
   60    H    ILE  10           H        ILE  10   9.439   9.194  -5.820
   61    HA   ILE  10           HA       ILE  10   8.486   6.786  -7.094
   62    HB   ILE  10           HB       ILE  10  10.470   5.717  -6.052
   63   HG12  ILE  10          HG12      ILE  10  11.057   8.505  -4.940
   64   HG13  ILE  10          HG13      ILE  10  10.585   7.107  -3.981
   65   HG21  ILE  10          HG21      ILE  10  10.448   6.841  -8.285
   66   HG22  ILE  10          HG22      ILE  10  11.057   8.325  -7.520
   67   HG23  ILE  10          HG23      ILE  10  12.038   6.845  -7.524
   68   HD11  ILE  10          HD11      ILE  10  13.156   7.358  -5.591
   69   HD12  ILE  10          HD12      ILE  10  12.978   7.462  -3.828
   70   HD13  ILE  10          HD13      ILE  10  12.661   5.929  -4.656
   71    H    CYS  11           H        CYS  11   7.907   4.783  -6.325
   72    HA   CYS  11           HA       CYS  11   7.411   4.400  -3.447
   73    HB2  CYS  11           HB2      CYS  11   5.117   3.885  -3.620
   74    HB3  CYS  11           HB3      CYS  11   5.341   5.443  -4.389
   75    H    SER  12           H        SER  12   6.793   2.184  -2.926
   76    HA   SER  12           HA       SER  12   8.253   0.248  -4.722
   77    HG   SER  12           HG       SER  12  10.339   0.856  -1.886
   78    HB2  SER  12           HB2      SER  12   8.109   0.343  -1.689
   79    HB3  SER  12           HB3      SER  12   8.988  -0.856  -2.660
   80    H    LEU  13           H        LEU  13   7.684  -1.994  -4.694
   81    HA   LEU  13           HA       LEU  13   4.881  -2.560  -4.726
   82    HG   LEU  13           HG       LEU  13   7.600  -3.232  -6.531
   83    HB2  LEU  13           HB2      LEU  13   7.249  -4.467  -4.483
   84    HB3  LEU  13           HB3      LEU  13   5.610  -4.896  -4.944
   85   HD11  LEU  13          HD11      LEU  13   6.221  -5.885  -7.133
   86   HD12  LEU  13          HD12      LEU  13   7.894  -5.695  -6.576
   87   HD13  LEU  13          HD13      LEU  13   7.414  -5.065  -8.160
   88   HD21  LEU  13          HD21      LEU  13   4.701  -3.791  -7.269
   89   HD22  LEU  13          HD22      LEU  13   5.930  -3.117  -8.357
   90   HD23  LEU  13          HD23      LEU  13   5.426  -2.200  -6.936
   91    H    TYR  14           H        TYR  14   7.308  -2.995  -2.178
   92    HA   TYR  14           HA       TYR  14   5.704  -4.374  -0.289
   93    HD1  TYR  14           HD1      TYR  14   7.133  -5.710   1.572
   94    HD2  TYR  14           HD2      TYR  14   7.735  -1.504   2.304
   95    HE1  TYR  14           HE1      TYR  14   6.999  -6.114   4.016
   96    HE2  TYR  14           HE2      TYR  14   7.596  -1.910   4.753
   97    HH   TYR  14           HH       TYR  14   7.058  -5.179   6.125
   98    HB2  TYR  14           HB2      TYR  14   8.140  -4.089  -0.175
   99    HB3  TYR  14           HB3      TYR  14   7.963  -2.361   0.085
  100    H    GLN  15           H        GLN  15   5.630  -1.008  -1.259
  101    HA   GLN  15           HA       GLN  15   3.925  -0.141   1.022
  102    HB2  GLN  15           HB2      GLN  15   4.791   1.311  -1.518
  103    HB3  GLN  15           HB3      GLN  15   3.839   2.014  -0.228
  104    HG2  GLN  15           HG2      GLN  15   5.666   1.743   1.375
  105    HG3  GLN  15           HG3      GLN  15   6.663   0.919   0.174
  106   HE21  GLN  15          HE21      GLN  15   6.675   3.763   1.687
  107   HE22  GLN  15          HE22      GLN  15   7.142   4.812   0.357
  108    H    LEU  16           H        LEU  16   3.615  -0.893  -2.508
  109    HA   LEU  16           HA       LEU  16   0.813  -0.454  -2.709
  110    HG   LEU  16           HG       LEU  16   3.452  -0.420  -4.743
  111    HB2  LEU  16           HB2      LEU  16   2.502  -2.555  -4.124
  112    HB3  LEU  16           HB3      LEU  16   0.900  -2.048  -4.591
  113   HD11  LEU  16          HD11      LEU  16   2.983  -2.119  -6.521
  114   HD12  LEU  16          HD12      LEU  16   2.999  -0.457  -7.136
  115   HD13  LEU  16          HD13      LEU  16   1.453  -1.293  -6.874
  116   HD21  LEU  16          HD21      LEU  16   1.707   1.150  -4.045
  117   HD22  LEU  16          HD22      LEU  16   0.622   0.546  -5.317
  118   HD23  LEU  16          HD23      LEU  16   2.119   1.398  -5.742
  119    H    GLU  17           H        GLU  17   2.537  -3.283  -1.435
  120    HA   GLU  17           HA       GLU  17   0.451  -5.087  -1.148
  121    HB2  GLU  17           HB2      GLU  17   2.921  -5.373  -0.708
  122    HB3  GLU  17           HB3      GLU  17   2.678  -4.657   0.879
  123    HG2  GLU  17           HG2      GLU  17   1.199  -7.132  -0.133
  124    HG3  GLU  17           HG3      GLU  17   2.758  -7.211   0.680
  125    H    ASN  18           H        ASN  18   1.095  -2.240   0.942
  126    HA   ASN  18           HA       ASN  18  -0.742  -2.913   3.052
  127    HB2  ASN  18           HB2      ASN  18   1.026  -1.223   3.281
  128    HB3  ASN  18           HB3      ASN  18   0.275  -0.242   2.012
  129   HD21  ASN  18          HD21      ASN  18  -1.257   1.260   2.593
  130   HD22  ASN  18          HD22      ASN  18  -1.968   1.354   4.192
  131    H    TYR  19           H        TYR  19  -1.168  -1.410  -0.125
  132    HA   TYR  19           HA       TYR  19  -3.958  -0.640   0.367
  133    HD1  TYR  19           HD1      TYR  19  -4.192   1.895   0.277
  134    HD2  TYR  19           HD2      TYR  19  -0.251   0.914  -1.154
  135    HE1  TYR  19           HE1      TYR  19  -3.232   3.727   1.660
  136    HE2  TYR  19           HE2      TYR  19   0.720   2.716   0.247
  137    HH   TYR  19           HH       TYR  19   0.288   4.404   1.766
  138    HB2  TYR  19           HB2      TYR  19  -2.129  -0.267  -2.024
  139    HB3  TYR  19           HB3      TYR  19  -3.743   0.406  -1.827
  140    H    CYS  20           H        CYS  20  -2.565  -3.507  -0.431
  141    HA   CYS  20           HA       CYS  20  -4.599  -4.566  -2.235
  142    HB2  CYS  20           HB2      CYS  20  -2.591  -5.936  -0.432
  143    HB3  CYS  20           HB3      CYS  20  -3.591  -6.731  -1.645
  144    H    ASN  21           H        ASN  21  -6.156  -3.372  -0.576
  145    HA   ASN  21           HA       ASN  21  -7.451  -5.444   1.102
  146    HB2  ASN  21           HB2      ASN  21  -7.850  -3.845   2.851
  147    HB3  ASN  21           HB3      ASN  21  -6.123  -3.920   2.571
  148   HD21  ASN  21          HD21      ASN  21  -5.049  -1.951   2.168
  149   HD22  ASN  21          HD22      ASN  21  -5.930  -0.441   1.961
  150    HA   PHE   1           HA       PHE   1  11.717  -5.730  -3.565
  151    HD1  PHE   1           HD1      PHE   1   9.501  -6.637  -2.256
  152    HD2  PHE   1           HD2      PHE   1  11.481  -3.816   0.349
  153    HE1  PHE   1           HE1      PHE   1   9.006  -8.083  -0.299
  154    HE2  PHE   1           HE2      PHE   1  10.965  -5.258   2.297
  155    HZ   PHE   1           HZ       PHE   1   9.735  -7.396   1.978
  156    H1   PHE   1           H1       PHE   1  13.555  -3.985  -2.071
  157    H2   PHE   1           H2       PHE   1  13.987  -5.251  -3.008
  158    H3   PHE   1           H3       PHE   1  13.127  -5.510  -1.634
  159    HB2  PHE   1           HB2      PHE   1  11.072  -3.231  -1.933
  160    HB3  PHE   1           HB3      PHE   1   9.933  -4.162  -2.896
  161    H    VAL   2           H        VAL   2  10.566  -4.589  -5.348
  162    HA   VAL   2           HA       VAL   2  12.374  -2.841  -6.875
  163    HB   VAL   2           HB       VAL   2   9.639  -3.986  -7.514
  164   HG11  VAL   2          HG11      VAL   2   9.828  -1.926  -8.778
  165   HG12  VAL   2          HG12      VAL   2  11.476  -2.341  -9.302
  166   HG13  VAL   2          HG13      VAL   2  10.078  -3.283  -9.871
  167   HG21  VAL   2          HG21      VAL   2  12.421  -4.675  -8.556
  168   HG22  VAL   2          HG22      VAL   2  11.452  -5.670  -7.448
  169   HG23  VAL   2          HG23      VAL   2  10.901  -5.410  -9.103
  170    H    ASN   3           H        ASN   3  12.189  -0.732  -7.187
  171    HA   ASN   3           HA       ASN   3   9.913   0.821  -6.047
  172    HB2  ASN   3           HB2      ASN   3  11.827   0.923  -4.541
  173    HB3  ASN   3           HB3      ASN   3  12.896   1.343  -5.884
  174   HD21  ASN   3          HD21      ASN   3  10.380   2.546  -3.707
  175   HD22  ASN   3          HD22      ASN   3  10.599   4.236  -4.140
  176    H    GLN   4           H        GLN   4   9.177   2.472  -7.291
  177    HA   GLN   4           HA       GLN   4  10.427   3.222  -9.875
  178    HB2  GLN   4           HB2      GLN   4   7.868   1.561  -9.606
  179    HB3  GLN   4           HB3      GLN   4   8.301   2.403 -11.081
  180    HG2  GLN   4           HG2      GLN   4   9.864   0.105  -9.857
  181    HG3  GLN   4           HG3      GLN   4   8.791   0.029 -11.232
  182   HE21  GLN   4          HE21      GLN   4  11.322  -0.920 -11.646
  183   HE22  GLN   4          HE22      GLN   4  12.215   0.221 -12.639
  184    H    HIS   5           H        HIS   5   9.046   4.704 -11.133
  185    HA   HIS   5           HA       HIS   5   6.938   6.177  -9.626
  186    HD1  HIS   5           HD1      HIS   5   9.980   8.639 -12.129
  187    HD2  HIS   5           HD2      HIS   5   7.068   8.491  -9.109
  188    HE1  HIS   5           HE1      HIS   5  10.433  10.628 -10.586
  189    HB2  HIS   5           HB2      HIS   5   8.305   6.612 -12.315
  190    HB3  HIS   5           HB3      HIS   5   6.764   7.362 -11.914
  191    H    LEU   6           H        LEU   6   4.798   5.830 -10.141
  192    HA   LEU   6           HA       LEU   6   4.016   3.920 -12.266
  193    HG   LEU   6           HG       LEU   6   5.668   2.353 -10.271
  194    HB2  LEU   6           HB2      LEU   6   3.653   3.504  -9.267
  195    HB3  LEU   6           HB3      LEU   6   2.645   2.692 -10.454
  196   HD11  LEU   6          HD11      LEU   6   3.397   0.601  -9.260
  197   HD12  LEU   6          HD12      LEU   6   4.567   1.496  -8.268
  198   HD13  LEU   6          HD13      LEU   6   5.116   0.145  -9.283
  199   HD21  LEU   6          HD21      LEU   6   4.803   1.855 -12.544
  200   HD22  LEU   6          HD22      LEU   6   3.535   0.827 -11.849
  201   HD23  LEU   6          HD23      LEU   6   5.241   0.359 -11.719
  202    H    CYS   7           H        CYS   7   2.019   4.415 -13.081
  203    HA   CYS   7           HA       CYS   7   0.143   6.106 -11.583
  204    HB2  CYS   7           HB2      CYS   7   2.018   7.476 -12.736
  205    HB3  CYS   7           HB3      CYS   7   1.177   7.121 -14.236
  206    H    GLY   8           H        GLY   8  -1.862   6.324 -12.591
  207    HA2  GLY   8           HA2      GLY   8  -3.784   5.406 -13.553
  208    HA3  GLY   8           HA3      GLY   8  -2.808   5.524 -15.015
  209    H    SER   9           H        SER   9  -2.909   3.759 -16.180
  210    HA   SER   9           HA       SER   9  -3.843   1.201 -15.326
  211    HG   SER   9           HG       SER   9  -2.326   2.251 -18.967
  212    HB2  SER   9           HB2      SER   9  -3.032   0.520 -17.609
  213    HB3  SER   9           HB3      SER   9  -4.150   1.893 -17.584
  214    H    HIS  10           H        HIS  10  -0.515   2.501 -15.611
  215    HA   HIS  10           HA       HIS  10   0.773  -0.089 -15.265
  216    HD1  HIS  10           HD1      HIS  10   2.897   0.015 -17.323
  217    HD2  HIS  10           HD2      HIS  10   1.296   3.898 -17.109
  218    HE1  HIS  10           HE1      HIS  10   2.875   0.910 -19.705
  219    HB2  HIS  10           HB2      HIS  10   1.803   2.741 -14.792
  220    HB3  HIS  10           HB3      HIS  10   2.796   1.286 -14.827
  221    H    LEU  11           H        LEU  11  -0.216   2.500 -12.981
  222    HA   LEU  11           HA       LEU  11   0.800   1.165 -10.618
  223    HG   LEU  11           HG       LEU  11  -1.571   2.135  -8.740
  224    HB2  LEU  11           HB2      LEU  11   0.286   3.578 -10.662
  225    HB3  LEU  11           HB3      LEU  11  -1.413   3.235 -10.968
  226   HD11  LEU  11          HD11      LEU  11   0.231   2.499  -7.072
  227   HD12  LEU  11          HD12      LEU  11   1.292   3.130  -8.349
  228   HD13  LEU  11          HD13      LEU  11   0.766   1.432  -8.372
  229   HD21  LEU  11          HD21      LEU  11  -0.496   4.983  -8.738
  230   HD22  LEU  11          HD22      LEU  11  -1.464   4.237  -7.451
  231   HD23  LEU  11          HD23      LEU  11  -2.173   4.482  -9.055
  232    H    VAL  12           H        VAL  12  -2.409   1.224 -12.194
  233    HA   VAL  12           HA       VAL  12  -3.717  -0.580 -10.421
  234    HB   VAL  12           HB       VAL  12  -4.162   0.162 -13.319
  235   HG11  VAL  12          HG11      VAL  12  -6.392  -0.944 -13.218
  236   HG12  VAL  12          HG12      VAL  12  -5.060  -2.098 -13.236
  237   HG13  VAL  12          HG13      VAL  12  -5.899  -1.747 -11.710
  238   HG21  VAL  12          HG21      VAL  12  -6.129   1.320 -12.406
  239   HG22  VAL  12          HG22      VAL  12  -5.793   0.664 -10.790
  240   HG23  VAL  12          HG23      VAL  12  -4.684   1.831 -11.523
  241    H    GLU  13           H        GLU  13  -1.749  -1.319 -13.328
  242    HA   GLU  13           HA       GLU  13  -2.069  -4.166 -13.191
  243    HB2  GLU  13           HB2      GLU  13  -1.275  -2.889 -15.160
  244    HB3  GLU  13           HB3      GLU  13   0.236  -2.527 -14.323
  245    HG2  GLU  13           HG2      GLU  13   0.801  -4.915 -14.247
  246    HG3  GLU  13           HG3      GLU  13  -0.777  -5.347 -14.918
  247    H    ALA  14           H        ALA  14   0.495  -1.996 -11.874
  248    HA   ALA  14           HA       ALA  14   2.085  -4.042 -10.689
  249    HB1  ALA  14           HB1      ALA  14   3.041  -2.196  -9.351
  250    HB2  ALA  14           HB2      ALA  14   2.855  -1.720 -11.049
  251    HB3  ALA  14           HB3      ALA  14   1.696  -1.137  -9.834
  252    H    LEU  15           H        LEU  15  -0.593  -2.129  -9.255
  253    HA   LEU  15           HA       LEU  15  -0.701  -3.409  -6.698
  254    HG   LEU  15           HG       LEU  15  -1.013  -0.716  -7.177
  255    HB2  LEU  15           HB2      LEU  15  -2.789  -2.121  -8.498
  256    HB3  LEU  15           HB3      LEU  15  -3.215  -2.790  -6.934
  257   HD11  LEU  15          HD11      LEU  15  -2.649   1.020  -6.732
  258   HD12  LEU  15          HD12      LEU  15  -3.968  -0.170  -6.665
  259   HD13  LEU  15          HD13      LEU  15  -3.125   0.166  -8.198
  260   HD21  LEU  15          HD21      LEU  15  -1.513  -0.295  -4.818
  261   HD22  LEU  15          HD22      LEU  15  -1.250  -2.038  -5.026
  262   HD23  LEU  15          HD23      LEU  15  -2.885  -1.409  -4.866
  263    H    TYR  16           H        TYR  16  -2.664  -4.244  -9.651
  264    HA   TYR  16           HA       TYR  16  -3.849  -6.533  -8.607
  265    HD1  TYR  16           HD1      TYR  16  -5.848  -7.674  -9.793
  266    HD2  TYR  16           HD2      TYR  16  -2.671  -7.870 -12.709
  267    HE1  TYR  16           HE1      TYR  16  -6.643  -9.917 -10.506
  268    HE2  TYR  16           HE2      TYR  16  -3.468 -10.116 -13.420
  269    HH   TYR  16           HH       TYR  16  -5.014 -11.792 -13.097
  270    HB2  TYR  16           HB2      TYR  16  -4.503  -5.557 -10.731
  271    HB3  TYR  16           HB3      TYR  16  -2.939  -5.916 -11.441
  272    H    LEU  17           H        LEU  17  -0.619  -6.328 -10.112
  273    HA   LEU  17           HA       LEU  17  -0.071  -9.167  -9.917
  274    HG   LEU  17           HG       LEU  17   0.159  -7.382 -12.269
  275    HB2  LEU  17           HB2      LEU  17   1.707  -6.733 -10.338
  276    HB3  LEU  17           HB3      LEU  17   2.328  -8.376 -10.363
  277   HD11  LEU  17          HD11      LEU  17   1.960  -7.277 -13.949
  278   HD12  LEU  17          HD12      LEU  17   3.158  -7.707 -12.712
  279   HD13  LEU  17          HD13      LEU  17   2.283  -6.166 -12.607
  280   HD21  LEU  17          HD21      LEU  17   0.764  -9.396 -13.582
  281   HD22  LEU  17          HD22      LEU  17   0.106  -9.822 -12.003
  282   HD23  LEU  17          HD23      LEU  17   1.858  -9.914 -12.283
  283    H    VAL  18           H        VAL  18   0.505  -6.521  -7.663
  284    HA   VAL  18           HA       VAL  18   2.093  -8.200  -5.828
  285    HB   VAL  18           HB       VAL  18   0.850  -5.440  -5.529
  286   HG11  VAL  18          HG11      VAL  18   2.166  -5.201  -3.438
  287   HG12  VAL  18          HG12      VAL  18   0.910  -6.425  -3.260
  288   HG13  VAL  18          HG13      VAL  18   2.596  -6.924  -3.507
  289   HG21  VAL  18          HG21      VAL  18   3.767  -6.353  -5.631
  290   HG22  VAL  18          HG22      VAL  18   2.885  -5.683  -7.010
  291   HG23  VAL  18          HG23      VAL  18   3.175  -4.677  -5.582
  292    H    CYS  19           H        CYS  19  -1.298  -7.160  -6.111
  293    HA   CYS  19           HA       CYS  19  -2.058  -8.277  -3.519
  294    HB2  CYS  19           HB2      CYS  19  -3.782  -7.088  -5.722
  295    HB3  CYS  19           HB3      CYS  19  -4.216  -7.296  -4.034
  296    H    GLY  20           H        GLY  20  -2.482  -9.302  -6.899
  297    HA2  GLY  20           HA2      GLY  20  -3.466 -11.194  -7.825
  298    HA3  GLY  20           HA3      GLY  20  -3.318 -11.978  -6.238
  299    H    GLU  21           H        GLU  21  -5.260 -12.826  -5.825
  300    HA   GLU  21           HA       GLU  21  -7.771 -11.683  -6.670
  301    HB2  GLU  21           HB2      GLU  21  -7.127 -13.975  -4.760
  302    HB3  GLU  21           HB3      GLU  21  -8.748 -13.571  -5.345
  303    HG2  GLU  21           HG2      GLU  21  -7.965 -13.895  -7.702
  304    HG3  GLU  21           HG3      GLU  21  -6.404 -14.448  -7.090
  305    H    ARG  22           H        ARG  22  -5.845 -10.776  -3.994
  306    HA   ARG  22           HA       ARG  22  -7.824 -10.293  -1.982
  307    HE   ARG  22           HE       ARG  22  -4.628  -8.473   0.373
  308    HB2  ARG  22           HB2      ARG  22  -5.190  -8.898  -2.601
  309    HB3  ARG  22           HB3      ARG  22  -6.166  -8.555  -1.175
  310    HG2  ARG  22           HG2      ARG  22  -5.880 -10.763  -0.283
  311    HG3  ARG  22           HG3      ARG  22  -5.189 -11.369  -1.788
  312    HD2  ARG  22           HD2      ARG  22  -3.449 -11.057  -0.123
  313    HD3  ARG  22           HD3      ARG  22  -3.197  -9.991  -1.516
  314   HH11  ARG  22          HH11      ARG  22  -1.393  -9.989   0.235
  315   HH12  ARG  22          HH12      ARG  22  -0.738  -8.712   1.262
  316   HH21  ARG  22          HH21      ARG  22  -3.597  -6.936   1.648
  317   HH22  ARG  22          HH22      ARG  22  -1.873  -7.126   1.991
  318    H    GLY  23           H        GLY  23  -7.119  -8.524  -4.928
  319    HA2  GLY  23           HA2      GLY  23  -8.133  -6.637  -5.879
  320    HA3  GLY  23           HA3      GLY  23  -9.193  -6.488  -4.462
  321    H    PHE  24           H        PHE  24  -8.248  -4.216  -5.429
  322    HA   PHE  24           HA       PHE  24  -6.255  -3.256  -3.463
  323    HD1  PHE  24           HD1      PHE  24  -6.375  -1.061  -7.084
  324    HD2  PHE  24           HD2      PHE  24  -5.751  -5.318  -7.102
  325    HE1  PHE  24           HE1      PHE  24  -7.143  -1.160  -9.447
  326    HE2  PHE  24           HE2      PHE  24  -6.566  -5.427  -9.445
  327    HZ   PHE  24           HZ       PHE  24  -7.273  -3.350 -10.620
  328    HB2  PHE  24           HB2      PHE  24  -4.968  -2.217  -5.337
  329    HB3  PHE  24           HB3      PHE  24  -4.912  -3.962  -5.294
  330    H    PHE  25           H        PHE  25  -6.012  -1.059  -3.244
  331    HA   PHE  25           HA       PHE  25  -8.205   0.724  -4.240
  332    HD1  PHE  25           HD1      PHE  25  -9.893   2.141  -2.436
  333    HD2  PHE  25           HD2      PHE  25  -5.767   3.114  -1.609
  334    HE1  PHE  25           HE1      PHE  25 -10.524   4.509  -2.036
  335    HE2  PHE  25           HE2      PHE  25  -6.407   5.478  -1.220
  336    HZ   PHE  25           HZ       PHE  25  -8.786   6.180  -1.428
  337    HB2  PHE  25           HB2      PHE  25  -8.173   0.379  -1.812
  338    HB3  PHE  25           HB3      PHE  25  -6.472   0.806  -1.733
  339    H    TYR  26           H        TYR  26  -7.389   1.712  -6.071
  340    HA   TYR  26           HA       TYR  26  -4.521   2.412  -6.215
  341    HD1  TYR  26           HD1      TYR  26  -8.192   0.863  -7.953
  342    HD2  TYR  26           HD2      TYR  26  -5.936   4.106  -9.683
  343    HE1  TYR  26           HE1      TYR  26 -10.220   1.614  -9.184
  344    HE2  TYR  26           HE2      TYR  26  -7.951   4.861 -10.916
  345    HH   TYR  26           HH       TYR  26 -11.109   3.156 -10.637
  346    HB2  TYR  26           HB2      TYR  26  -4.823   2.265  -8.538
  347    HB3  TYR  26           HB3      TYR  26  -5.697   0.914  -7.881
  348    H    THR  27           H        THR  27  -7.385   4.147  -5.590
  349    HA   THR  27           HA       THR  27  -7.397   5.917  -7.739
  350    HB   THR  27           HB       THR  27  -9.174   7.153  -6.432
  351    HG1  THR  27           HG1      THR  27  -9.743   6.178  -4.457
  352   HG21  THR  27          HG21      THR  27 -10.758   5.279  -6.405
  353   HG22  THR  27          HG22      THR  27  -9.431   4.107  -6.489
  354   HG23  THR  27          HG23      THR  27  -9.745   5.204  -7.853
  355    HA   PRO  28           HA       PRO  28  -4.883   9.366  -6.604
  356    HB2  PRO  28           HB2      PRO  28  -5.957  11.413  -8.060
  357    HB3  PRO  28           HB3      PRO  28  -5.123  10.026  -8.823
  358    HG2  PRO  28           HG2      PRO  28  -8.106  10.424  -8.450
  359    HG3  PRO  28           HG3      PRO  28  -7.229   9.932  -9.930
  360    HD2  PRO  28           HD2      PRO  28  -8.402   8.114  -8.270
  361    HD3  PRO  28           HD3      PRO  28  -6.870   7.750  -9.111
  362    H    LYS  29           H        LYS  29  -8.418   9.809  -6.211
  363    HA   LYS  29           HA       LYS  29  -8.219  11.028  -3.638
  364    HB2  LYS  29           HB2      LYS  29  -7.785  12.828  -5.838
  365    HB3  LYS  29           HB3      LYS  29  -9.408  13.150  -5.267
  366    HG2  LYS  29           HG2      LYS  29  -8.580  13.518  -2.977
  367    HG3  LYS  29           HG3      LYS  29  -6.952  13.016  -3.461
  368    HD2  LYS  29           HD2      LYS  29  -6.819  14.944  -5.033
  369    HD3  LYS  29           HD3      LYS  29  -8.455  15.429  -4.567
  370    HE2  LYS  29           HE2      LYS  29  -6.908  16.828  -3.385
  371    HE3  LYS  29           HE3      LYS  29  -7.678  15.751  -2.215
  372    HZ1  LYS  29           HZ1      LYS  29  -4.980  15.293  -3.396
  373    HZ2  LYS  29           HZ2      LYS  29  -5.665  14.382  -2.253
  374    HZ3  LYS  29           HZ3      LYS  29  -5.249  15.926  -1.904
  375    H    THR  30           H        THR  30 -10.331  11.920  -2.874
  376    HA   THR  30           HA       THR  30 -12.432  10.032  -3.181
  377    HB   THR  30           HB       THR  30 -12.648  12.837  -2.029
  378    HG1  THR  30           HG1      THR  30 -11.967  11.838  -0.114
  379   HG21  THR  30          HG21      THR  30 -14.810  11.645  -2.175
  380   HG22  THR  30          HG22      THR  30 -14.275  11.753  -0.492
  381   HG23  THR  30          HG23      THR  30 -14.103  10.224  -1.385
  Start of MODEL   39
    1    H1   GLY   1           H1       GLY   1  -1.115   9.892  -0.473
    2    H2   GLY   1           H2       GLY   1  -2.410  10.896  -0.539
    3    H3   GLY   1           H3       GLY   1  -1.187  11.073  -1.612
    4    HA2  GLY   1           HA2      GLY   1  -2.989   8.737  -1.461
    5    HA3  GLY   1           HA3      GLY   1  -3.085  10.028  -2.668
    6    H    ILE   2           H        ILE   2  -2.296   6.946  -2.594
    7    HA   ILE   2           HA       ILE   2   0.457   6.818  -3.143
    8    HB   ILE   2           HB       ILE   2  -0.934   4.988  -2.321
    9   HG12  ILE   2          HG12      ILE   2   0.151   3.116  -3.462
   10   HG13  ILE   2          HG13      ILE   2   0.668   4.173  -4.772
   11   HG21  ILE   2          HG21      ILE   2  -2.860   5.132  -3.843
   12   HG22  ILE   2          HG22      ILE   2  -1.841   4.590  -5.203
   13   HG23  ILE   2          HG23      ILE   2  -2.181   3.511  -3.833
   14   HD11  ILE   2          HD11      ILE   2   1.508   4.508  -1.856
   15   HD12  ILE   2          HD12      ILE   2   2.450   3.650  -3.089
   16   HD13  ILE   2          HD13      ILE   2   2.167   5.384  -3.261
   17    H    VAL   3           H        VAL   3  -2.125   7.298  -5.554
   18    HA   VAL   3           HA       VAL   3  -0.357   6.849  -7.802
   19    HB   VAL   3           HB       VAL   3  -3.002   8.272  -7.565
   20   HG11  VAL   3          HG11      VAL   3  -3.069   8.366 -10.070
   21   HG12  VAL   3          HG12      VAL   3  -1.897   9.489  -9.379
   22   HG13  VAL   3          HG13      VAL   3  -1.344   7.958 -10.110
   23   HG21  VAL   3          HG21      VAL   3  -2.851   5.735  -7.504
   24   HG22  VAL   3          HG22      VAL   3  -3.796   6.360  -8.866
   25   HG23  VAL   3          HG23      VAL   3  -2.134   5.789  -9.123
   26    H    GLU   4           H        GLU   4  -1.003   9.791  -5.855
   27    HA   GLU   4           HA       GLU   4   0.639  11.483  -7.567
   28    HB2  GLU   4           HB2      GLU   4  -1.185  12.319  -6.078
   29    HB3  GLU   4           HB3      GLU   4  -0.195  11.899  -4.667
   30    HG2  GLU   4           HG2      GLU   4   1.570  13.470  -5.429
   31    HG3  GLU   4           HG3      GLU   4   0.632  13.834  -6.880
   32    H    GLN   5           H        GLN   5   1.148   9.749  -4.438
   33    HA   GLN   5           HA       GLN   5   3.831  10.513  -3.991
   34    HB2  GLN   5           HB2      GLN   5   2.435   9.405  -2.309
   35    HB3  GLN   5           HB3      GLN   5   2.342   7.949  -3.294
   36    HG2  GLN   5           HG2      GLN   5   3.927   7.652  -1.451
   37    HG3  GLN   5           HG3      GLN   5   4.724   7.502  -3.006
   38   HE21  GLN   5          HE21      GLN   5   6.807   8.351  -2.826
   39   HE22  GLN   5          HE22      GLN   5   7.174   9.829  -1.940
   40    H    CYS   6           H        CYS   6   2.627   7.644  -5.873
   41    HA   CYS   6           HA       CYS   6   5.369   6.815  -6.403
   42    HB2  CYS   6           HB2      CYS   6   3.031   5.500  -6.158
   43    HB3  CYS   6           HB3      CYS   6   3.056   5.681  -7.910
   44    H    CYS   7           H        CYS   7   3.249   8.970  -8.049
   45    HA   CYS   7           HA       CYS   7   4.632   8.566 -10.674
   46    HB2  CYS   7           HB2      CYS   7   2.142   8.505 -10.466
   47    HB3  CYS   7           HB3      CYS   7   2.159  10.200  -9.988
   48    H    THR   8           H        THR   8   3.855  11.195  -8.350
   49    HA   THR   8           HA       THR   8   5.539  13.163  -9.769
   50    HB   THR   8           HB       THR   8   3.989  13.346  -7.150
   51    HG1  THR   8           HG1      THR   8   2.461  14.386  -8.514
   52   HG21  THR   8          HG21      THR   8   4.046  15.779  -7.560
   53   HG22  THR   8          HG22      THR   8   5.107  15.527  -8.970
   54   HG23  THR   8          HG23      THR   8   5.670  15.134  -7.325
   55    H    SER   9           H        SER   9   5.664  11.205  -6.826
   56    HA   SER   9           HA       SER   9   8.623  11.653  -6.779
   57    HG   SER   9           HG       SER   9   8.994  11.516  -3.368
   58    HB2  SER   9           HB2      SER   9   7.521  12.487  -4.714
   59    HB3  SER   9           HB3      SER   9   6.905  10.861  -4.405
   60    H    ILE  10           H        ILE  10   8.769   9.226  -5.039
   61    HA   ILE  10           HA       ILE  10   8.200   7.083  -7.064
   62    HB   ILE  10           HB       ILE  10  10.622   7.827  -6.770
   63   HG12  ILE  10          HG12      ILE  10  10.016   4.899  -6.282
   64   HG13  ILE  10          HG13      ILE  10   9.957   5.753  -7.839
   65   HG21  ILE  10          HG21      ILE  10  11.897   7.122  -4.849
   66   HG22  ILE  10          HG22      ILE  10  10.533   8.069  -4.268
   67   HG23  ILE  10          HG23      ILE  10  10.492   6.300  -4.136
   68   HD11  ILE  10          HD11      ILE  10  12.389   6.255  -7.626
   69   HD12  ILE  10          HD12      ILE  10  12.438   5.265  -6.147
   70   HD13  ILE  10          HD13      ILE  10  12.022   4.521  -7.699
   71    H    CYS  11           H        CYS  11   7.773   4.931  -6.201
   72    HA   CYS  11           HA       CYS  11   7.486   4.647  -3.305
   73    HB2  CYS  11           HB2      CYS  11   5.267   4.116  -3.136
   74    HB3  CYS  11           HB3      CYS  11   5.213   5.461  -4.254
   75    H    SER  12           H        SER  12   6.401   2.115  -3.113
   76    HA   SER  12           HA       SER  12   8.007   0.387  -4.926
   77    HG   SER  12           HG       SER  12   8.287   0.001  -0.867
   78    HB2  SER  12           HB2      SER  12   8.835  -0.876  -3.067
   79    HB3  SER  12           HB3      SER  12   9.186   0.824  -2.724
   80    H    LEU  13           H        LEU  13   7.382  -1.950  -4.694
   81    HA   LEU  13           HA       LEU  13   4.551  -2.375  -4.997
   82    HG   LEU  13           HG       LEU  13   7.424  -3.331  -6.451
   83    HB2  LEU  13           HB2      LEU  13   6.806  -4.336  -4.357
   84    HB3  LEU  13           HB3      LEU  13   5.208  -4.757  -4.927
   85   HD11  LEU  13          HD11      LEU  13   7.488  -5.823  -6.313
   86   HD12  LEU  13          HD12      LEU  13   7.255  -5.238  -7.969
   87   HD13  LEU  13          HD13      LEU  13   5.881  -5.889  -7.048
   88   HD21  LEU  13          HD21      LEU  13   4.555  -3.705  -7.392
   89   HD22  LEU  13          HD22      LEU  13   5.915  -3.241  -8.422
   90   HD23  LEU  13          HD23      LEU  13   5.395  -2.165  -7.128
   91    H    TYR  14           H        TYR  14   6.682  -2.602  -2.176
   92    HA   TYR  14           HA       TYR  14   4.745  -3.768  -0.399
   93    HD1  TYR  14           HD2      TYR  14   5.837  -5.094   1.759
   94    HD2  TYR  14           HD1      TYR  14   6.564  -0.868   2.216
   95    HE1  TYR  14           HE2      TYR  14   5.342  -5.278   4.186
   96    HE2  TYR  14           HE1      TYR  14   6.067  -1.044   4.644
   97    HH   TYR  14           HH       TYR  14   5.465  -2.438   6.383
   98    HB2  TYR  14           HB2      TYR  14   7.159  -3.724   0.053
   99    HB3  TYR  14           HB3      TYR  14   7.134  -1.965   0.159
  100    H    GLN  15           H        GLN  15   5.300  -0.437  -1.454
  101    HA   GLN  15           HA       GLN  15   3.307   0.690   0.416
  102    HB2  GLN  15           HB2      GLN  15   4.667   1.901  -2.030
  103    HB3  GLN  15           HB3      GLN  15   3.558   2.754  -0.969
  104    HG2  GLN  15           HG2      GLN  15   6.220   1.549  -0.087
  105    HG3  GLN  15           HG3      GLN  15   5.929   3.247  -0.458
  106   HE21  GLN  15          HE21      GLN  15   4.363   4.451   0.996
  107   HE22  GLN  15          HE22      GLN  15   4.175   3.872   2.641
  108    H    LEU  16           H        LEU  16   3.242  -0.612  -2.913
  109    HA   LEU  16           HA       LEU  16   0.454   0.125  -3.353
  110    HG   LEU  16           HG       LEU  16   3.132  -0.120  -5.276
  111    HB2  LEU  16           HB2      LEU  16   2.069  -2.183  -4.525
  112    HB3  LEU  16           HB3      LEU  16   0.506  -1.636  -5.084
  113   HD11  LEU  16          HD11      LEU  16   2.776  -0.368  -7.672
  114   HD12  LEU  16          HD12      LEU  16   1.214  -1.155  -7.405
  115   HD13  LEU  16          HD13      LEU  16   2.715  -1.969  -6.906
  116   HD21  LEU  16          HD21      LEU  16   0.335   0.834  -6.039
  117   HD22  LEU  16          HD22      LEU  16   1.861   1.617  -6.524
  118   HD23  LEU  16          HD23      LEU  16   1.412   1.558  -4.821
  119    H    GLU  17           H        GLU  17   2.012  -2.774  -1.914
  120    HA   GLU  17           HA       GLU  17  -0.256  -4.350  -1.663
  121    HB2  GLU  17           HB2      GLU  17   2.090  -5.057  -1.264
  122    HB3  GLU  17           HB3      GLU  17   2.067  -4.239   0.300
  123    HG2  GLU  17           HG2      GLU  17   0.357  -5.749   1.136
  124    HG3  GLU  17           HG3      GLU  17   0.061  -6.399  -0.477
  125    H    ASN  18           H        ASN  18   0.526  -1.554   0.304
  126    HA   ASN  18           HA       ASN  18  -1.151  -1.900   2.553
  127    HB2  ASN  18           HB2      ASN  18   0.505  -0.088   2.240
  128    HB3  ASN  18           HB3      ASN  18  -0.458   0.572   0.917
  129   HD21  ASN  18          HD21      ASN  18  -2.061   2.069   1.419
  130   HD22  ASN  18          HD22      ASN  18  -2.558   2.433   3.063
  131    H    TYR  19           H        TYR  19  -2.056  -1.316  -0.802
  132    HA   TYR  19           HA       TYR  19  -4.827  -0.531  -0.103
  133    HD1  TYR  19           HD1      TYR  19  -5.497   2.099  -1.092
  134    HD2  TYR  19           HD2      TYR  19  -1.374   0.975  -1.642
  135    HE1  TYR  19           HE1      TYR  19  -4.776   4.284  -0.142
  136    HE2  TYR  19           HE2      TYR  19  -0.646   3.135  -0.659
  137    HH   TYR  19           HH       TYR  19  -3.000   5.603   0.472
  138    HB2  TYR  19           HB2      TYR  19  -3.183  -0.342  -2.655
  139    HB3  TYR  19           HB3      TYR  19  -4.859   0.147  -2.497
  140    H    CYS  20           H        CYS  20  -3.355  -3.421  -0.555
  141    HA   CYS  20           HA       CYS  20  -5.317  -4.796  -2.202
  142    HB2  CYS  20           HB2      CYS  20  -3.650  -5.895   0.079
  143    HB3  CYS  20           HB3      CYS  20  -4.531  -6.826  -1.134
  144    H    ASN  21           H        ASN  21  -7.062  -6.121  -1.498
  145    HA   ASN  21           HA       ASN  21  -8.717  -4.813   0.515
  146    HB2  ASN  21           HB2      ASN  21  -9.604  -5.555  -1.692
  147    HB3  ASN  21           HB3      ASN  21  -9.248  -7.232  -1.263
  148   HD21  ASN  21          HD21      ASN  21 -11.091  -4.380  -0.075
  149   HD22  ASN  21          HD22      ASN  21 -12.426  -5.344   0.546
  150    HA   PHE   1           HA       PHE   1  14.599  -3.800  -3.011
  151    HD1  PHE   1           HD1      PHE   1  13.460  -4.887  -0.985
  152    HD2  PHE   1           HD2      PHE   1  11.237  -1.262  -1.748
  153    HE1  PHE   1           HE1      PHE   1  11.342  -6.081  -0.495
  154    HE2  PHE   1           HE2      PHE   1   9.123  -2.473  -1.263
  155    HZ   PHE   1           HZ       PHE   1   9.173  -4.880  -0.643
  156    H1   PHE   1           H1       PHE   1  16.402  -2.384  -2.366
  157    H2   PHE   1           H2       PHE   1  15.776  -1.119  -3.198
  158    H3   PHE   1           H3       PHE   1  16.293  -2.448  -4.003
  159    HB2  PHE   1           HB2      PHE   1  14.487  -2.455  -0.908
  160    HB3  PHE   1           HB3      PHE   1  13.615  -1.200  -1.764
  161    H    VAL   2           H        VAL   2  12.095  -3.535  -3.678
  162    HA   VAL   2           HA       VAL   2  12.205  -2.828  -6.509
  163    HB   VAL   2           HB       VAL   2   9.934  -3.835  -6.616
  164   HG11  VAL   2          HG11      VAL   2  12.155  -5.589  -5.499
  165   HG12  VAL   2          HG12      VAL   2  10.774  -6.134  -6.482
  166   HG13  VAL   2          HG13      VAL   2  11.985  -5.060  -7.193
  167   HG21  VAL   2          HG21      VAL   2  10.509  -4.773  -3.766
  168   HG22  VAL   2          HG22      VAL   2   9.255  -3.595  -4.203
  169   HG23  VAL   2          HG23      VAL   2   9.150  -5.268  -4.780
  170    H    ASN   3           H        ASN   3  12.537  -0.595  -5.815
  171    HA   ASN   3           HA       ASN   3  10.051   1.011  -5.517
  172    HB2  ASN   3           HB2      ASN   3  12.996   1.795  -5.452
  173    HB3  ASN   3           HB3      ASN   3  11.667   2.936  -5.374
  174   HD21  ASN   3          HD21      ASN   3  10.671   3.347  -3.402
  175   HD22  ASN   3          HD22      ASN   3  11.109   2.498  -1.930
  176    H    GLN   4           H        GLN   4   9.277   2.325  -7.054
  177    HA   GLN   4           HA       GLN   4  10.544   2.563  -9.714
  178    HB2  GLN   4           HB2      GLN   4   7.897   1.102  -9.254
  179    HB3  GLN   4           HB3      GLN   4   8.542   1.575 -10.829
  180    HG2  GLN   4           HG2      GLN   4  10.531   0.060 -10.385
  181    HG3  GLN   4           HG3      GLN   4   9.692  -0.517  -8.935
  182   HE21  GLN   4          HE21      GLN   4   7.470  -1.541  -9.286
  183   HE22  GLN   4          HE22      GLN   4   7.217  -2.364 -10.814
  184    H    HIS   5           H        HIS   5   9.455   4.090 -11.072
  185    HA   HIS   5           HA       HIS   5   7.486   5.881  -9.731
  186    HD1  HIS   5           HD1      HIS   5   8.317   8.683  -9.495
  187    HD2  HIS   5           HD2      HIS   5  11.446   6.672 -11.465
  188    HE1  HIS   5           HE1      HIS   5  10.451   9.801  -8.742
  189    HB2  HIS   5           HB2      HIS   5   9.014   6.135 -12.356
  190    HB3  HIS   5           HB3      HIS   5   7.739   7.225 -11.827
  191    H    LEU   6           H        LEU   6   5.372   5.538 -10.129
  192    HA   LEU   6           HA       LEU   6   4.455   3.889 -12.428
  193    HG   LEU   6           HG       LEU   6   6.048   2.385 -10.089
  194    HB2  LEU   6           HB2      LEU   6   3.787   3.370  -9.507
  195    HB3  LEU   6           HB3      LEU   6   3.105   2.528 -10.883
  196   HD11  LEU   6          HD11      LEU   6   4.596   1.403  -8.354
  197   HD12  LEU   6          HD12      LEU   6   5.493   0.139  -9.208
  198   HD13  LEU   6          HD13      LEU   6   3.784   0.417  -9.592
  199   HD21  LEU   6          HD21      LEU   6   5.620   1.871 -12.498
  200   HD22  LEU   6          HD22      LEU   6   4.390   0.685 -12.020
  201   HD23  LEU   6          HD23      LEU   6   6.106   0.429 -11.604
  202    H    CYS   7           H        CYS   7   2.370   4.431 -13.063
  203    HA   CYS   7           HA       CYS   7   0.856   6.471 -11.542
  204    HB2  CYS   7           HB2      CYS   7   2.720   7.361 -13.219
  205    HB3  CYS   7           HB3      CYS   7   1.490   7.056 -14.427
  206    H    GLY   8           H        GLY   8  -1.215   6.790 -12.225
  207    HA2  GLY   8           HA2      GLY   8  -3.370   6.050 -12.831
  208    HA3  GLY   8           HA3      GLY   8  -2.622   6.143 -14.417
  209    H    SER   9           H        SER   9  -3.166   4.459 -15.597
  210    HA   SER   9           HA       SER   9  -4.233   1.999 -14.670
  211    HG   SER   9           HG       SER   9  -5.146   3.122 -17.956
  212    HB2  SER   9           HB2      SER   9  -2.940   2.602 -17.353
  213    HB3  SER   9           HB3      SER   9  -4.102   1.304 -16.995
  214    H    HIS  10           H        HIS  10  -0.855   2.893 -15.348
  215    HA   HIS  10           HA       HIS  10   0.134   0.139 -15.380
  216    HD1  HIS  10           HD1      HIS  10   1.681   0.110 -17.833
  217    HD2  HIS  10           HD2      HIS  10   0.912   4.186 -17.131
  218    HE1  HIS  10           HE1      HIS  10   1.359   1.172 -20.114
  219    HB2  HIS  10           HB2      HIS  10   1.570   2.803 -15.020
  220    HB3  HIS  10           HB3      HIS  10   2.344   1.243 -15.302
  221    H    LEU  11           H        LEU  11  -0.184   2.711 -12.889
  222    HA   LEU  11           HA       LEU  11   0.968   1.105 -10.753
  223    HG   LEU  11           HG       LEU  11   0.458   1.864  -8.539
  224    HB2  LEU  11           HB2      LEU  11   0.774   3.539 -10.626
  225    HB3  LEU  11           HB3      LEU  11  -0.982   3.465 -10.644
  226   HD11  LEU  11          HD11      LEU  11   0.626   3.892  -7.080
  227   HD12  LEU  11          HD12      LEU  11   0.199   4.891  -8.487
  228   HD13  LEU  11          HD13      LEU  11   1.700   3.942  -8.483
  229   HD21  LEU  11          HD21      LEU  11  -2.088   3.537  -8.475
  230   HD22  LEU  11          HD22      LEU  11  -1.424   2.648  -7.095
  231   HD23  LEU  11          HD23      LEU  11  -1.996   1.772  -8.511
  232    H    VAL  12           H        VAL  12  -2.398   1.631 -11.878
  233    HA   VAL  12           HA       VAL  12  -3.603  -0.130  -9.997
  234    HB   VAL  12           HB       VAL  12  -4.480   0.751 -12.751
  235   HG11  VAL  12          HG11      VAL  12  -5.657  -1.361 -12.401
  236   HG12  VAL  12          HG12      VAL  12  -6.098  -0.876 -10.745
  237   HG13  VAL  12          HG13      VAL  12  -6.782  -0.033 -12.146
  238   HG21  VAL  12          HG21      VAL  12  -5.466   1.473  -9.945
  239   HG22  VAL  12          HG22      VAL  12  -4.388   2.476 -10.924
  240   HG23  VAL  12          HG23      VAL  12  -6.040   2.174 -11.474
  241    H    GLU  13           H        GLU  13  -2.168  -0.911 -13.184
  242    HA   GLU  13           HA       GLU  13  -2.753  -3.714 -13.133
  243    HB2  GLU  13           HB2      GLU  13  -2.040  -2.438 -15.121
  244    HB3  GLU  13           HB3      GLU  13  -0.437  -2.216 -14.430
  245    HG2  GLU  13           HG2      GLU  13  -0.031  -4.637 -14.491
  246    HG3  GLU  13           HG3      GLU  13  -1.691  -4.927 -15.038
  247    H    ALA  14           H        ALA  14   0.190  -1.905 -12.039
  248    HA   ALA  14           HA       ALA  14   1.595  -4.173 -11.030
  249    HB1  ALA  14           HB1      ALA  14   2.612  -1.955 -11.448
  250    HB2  ALA  14           HB2      ALA  14   1.676  -1.262 -10.111
  251    HB3  ALA  14           HB3      ALA  14   2.912  -2.500  -9.786
  252    H    LEU  15           H        LEU  15  -0.710  -2.003  -9.371
  253    HA   LEU  15           HA       LEU  15  -0.661  -3.161  -6.795
  254    HG   LEU  15           HG       LEU  15  -3.917  -2.722  -6.447
  255    HB2  LEU  15           HB2      LEU  15  -1.600  -0.969  -7.355
  256    HB3  LEU  15           HB3      LEU  15  -2.826  -1.697  -8.377
  257   HD11  LEU  15          HD11      LEU  15  -1.841  -1.287  -4.750
  258   HD12  LEU  15          HD12      LEU  15  -1.947  -3.049  -4.953
  259   HD13  LEU  15          HD13      LEU  15  -3.252  -2.178  -4.146
  260   HD21  LEU  15          HD21      LEU  15  -4.544  -0.419  -7.160
  261   HD22  LEU  15          HD22      LEU  15  -3.325   0.252  -6.058
  262   HD23  LEU  15          HD23      LEU  15  -4.725  -0.615  -5.405
  263    H    TYR  16           H        TYR  16  -2.897  -3.875  -9.532
  264    HA   TYR  16           HA       TYR  16  -4.251  -6.069  -8.360
  265    HD1  TYR  16           HD2      TYR  16  -6.264  -7.272  -9.418
  266    HD2  TYR  16           HD1      TYR  16  -3.389  -7.280 -12.638
  267    HE1  TYR  16           HE2      TYR  16  -7.124  -9.479 -10.177
  268    HE2  TYR  16           HE1      TYR  16  -4.251  -9.482 -13.403
  269    HH   TYR  16           HH       TYR  16  -5.778 -11.176 -13.045
  270    HB2  TYR  16           HB2      TYR  16  -5.022  -5.074 -10.417
  271    HB3  TYR  16           HB3      TYR  16  -3.510  -5.425 -11.227
  272    H    LEU  17           H        LEU  17  -1.148  -6.094 -10.125
  273    HA   LEU  17           HA       LEU  17  -0.828  -8.976  -9.914
  274    HG   LEU  17           HG       LEU  17  -0.765  -7.243 -12.319
  275    HB2  LEU  17           HB2      LEU  17   1.092  -6.725 -10.635
  276    HB3  LEU  17           HB3      LEU  17   1.530  -8.432 -10.701
  277   HD11  LEU  17          HD11      LEU  17   0.768  -7.331 -14.238
  278   HD12  LEU  17          HD12      LEU  17   2.086  -7.869 -13.182
  279   HD13  LEU  17          HD13      LEU  17   1.389  -6.245 -12.978
  280   HD21  LEU  17          HD21      LEU  17  -0.547  -9.319 -13.652
  281   HD22  LEU  17          HD22      LEU  17  -1.030  -9.654 -11.989
  282   HD23  LEU  17          HD23      LEU  17   0.657  -9.929 -12.494
  283    H    VAL  18           H        VAL  18   0.323  -6.306  -7.921
  284    HA   VAL  18           HA       VAL  18   1.932  -7.885  -6.108
  285    HB   VAL  18           HB       VAL  18   0.516  -5.217  -5.849
  286   HG11  VAL  18          HG11      VAL  18   1.699  -4.842  -3.706
  287   HG12  VAL  18          HG12      VAL  18   0.474  -6.091  -3.554
  288   HG13  VAL  18          HG13      VAL  18   2.191  -6.551  -3.675
  289   HG21  VAL  18          HG21      VAL  18   3.463  -6.013  -5.815
  290   HG22  VAL  18          HG22      VAL  18   2.621  -5.365  -7.222
  291   HG23  VAL  18          HG23      VAL  18   2.819  -4.351  -5.790
  292    H    CYS  19           H        CYS  19  -1.522  -6.898  -6.020
  293    HA   CYS  19           HA       CYS  19  -1.995  -8.293  -3.519
  294    HB2  CYS  19           HB2      CYS  19  -3.943  -7.194  -5.564
  295    HB3  CYS  19           HB3      CYS  19  -4.348  -7.720  -3.924
  296    H    GLY  20           H        GLY  20  -2.507  -9.193  -6.921
  297    HA2  GLY  20           HA2      GLY  20  -3.006 -11.226  -7.917
  298    HA3  GLY  20           HA3      GLY  20  -2.515 -12.012  -6.402
  299    H    GLU  21           H        GLU  21  -4.104 -13.433  -6.037
  300    HA   GLU  21           HA       GLU  21  -6.855 -13.151  -6.616
  301    HB2  GLU  21           HB2      GLU  21  -7.162 -15.142  -5.279
  302    HB3  GLU  21           HB3      GLU  21  -5.734 -15.297  -6.299
  303    HG2  GLU  21           HG2      GLU  21  -4.288 -14.768  -4.311
  304    HG3  GLU  21           HG3      GLU  21  -5.737 -14.684  -3.311
  305    H    ARG  22           H        ARG  22  -5.115 -11.778  -3.952
  306    HA   ARG  22           HA       ARG  22  -7.188 -11.668  -1.991
  307    HE   ARG  22           HE       ARG  22  -2.425 -10.590  -2.263
  308    HB2  ARG  22           HB2      ARG  22  -4.844  -9.771  -2.438
  309    HB3  ARG  22           HB3      ARG  22  -5.842  -9.841  -0.991
  310    HG2  ARG  22           HG2      ARG  22  -5.169 -12.142  -0.541
  311    HG3  ARG  22           HG3      ARG  22  -4.163 -12.188  -1.993
  312    HD2  ARG  22           HD2      ARG  22  -3.747 -10.192   0.271
  313    HD3  ARG  22           HD3      ARG  22  -2.967 -11.781   0.214
  314   HH11  ARG  22          HH21      ARG  22  -1.585  -9.875   1.134
  315   HH12  ARG  22          HH22      ARG  22  -0.045  -9.174   0.639
  316   HH21  ARG  22          HH11      ARG  22  -0.312  -9.665  -2.684
  317   HH22  ARG  22          HH12      ARG  22   0.582  -9.059  -1.302
  318    H    GLY  23           H        GLY  23  -6.625  -9.644  -4.828
  319    HA2  GLY  23           HA2      GLY  23  -7.963  -7.970  -5.784
  320    HA3  GLY  23           HA3      GLY  23  -9.124  -8.132  -4.454
  321    H    PHE  24           H        PHE  24  -8.853  -5.672  -5.139
  322    HA   PHE  24           HA       PHE  24  -7.293  -4.282  -3.083
  323    HD1  PHE  24           HD2      PHE  24  -6.709  -5.695  -7.077
  324    HD2  PHE  24           HD1      PHE  24  -6.808  -1.482  -6.152
  325    HE1  PHE  24           HE2      PHE  24  -7.331  -5.182  -9.430
  326    HE2  PHE  24           HE1      PHE  24  -7.374  -0.980  -8.511
  327    HZ   PHE  24           HZ       PHE  24  -7.645  -2.831 -10.151
  328    HB2  PHE  24           HB2      PHE  24  -5.874  -3.072  -4.566
  329    HB3  PHE  24           HB3      PHE  24  -5.677  -4.758  -4.972
  330    H    PHE  25           H        PHE  25  -7.561  -1.915  -3.196
  331    HA   PHE  25           HA       PHE  25  -9.392  -0.781  -5.104
  332    HD1  PHE  25           HD1      PHE  25 -12.044  -0.120  -5.418
  333    HD2  PHE  25           HD2      PHE  25 -10.604   1.557  -1.716
  334    HE1  PHE  25           HE1      PHE  25 -13.216   2.011  -5.922
  335    HE2  PHE  25           HE2      PHE  25 -11.782   3.685  -2.224
  336    HZ   PHE  25           HZ       PHE  25 -13.084   3.919  -4.329
  337    HB2  PHE  25           HB2      PHE  25 -11.090  -1.564  -3.516
  338    HB3  PHE  25           HB3      PHE  25 -10.262  -0.776  -2.186
  339    H    TYR  26           H        TYR  26  -8.727   1.149  -5.613
  340    HA   TYR  26           HA       TYR  26  -8.182   3.190  -3.693
  341    HD1  TYR  26           HD2      TYR  26  -6.238   4.356  -2.351
  342    HD2  TYR  26           HD1      TYR  26  -5.188   4.442  -6.533
  343    HE1  TYR  26           HE2      TYR  26  -5.563   6.732  -2.122
  344    HE2  TYR  26           HE1      TYR  26  -4.540   6.838  -6.307
  345    HH   TYR  26           HH       TYR  26  -4.861   8.634  -3.228
  346    HB2  TYR  26           HB2      TYR  26  -5.908   2.214  -3.776
  347    HB3  TYR  26           HB3      TYR  26  -5.881   2.387  -5.526
  348    H    THR  27           H        THR  27  -8.438   5.245  -4.547
  349    HA   THR  27           HA       THR  27  -8.806   5.612  -7.468
  350    HB   THR  27           HB       THR  27 -10.675   7.249  -6.880
  351    HG1  THR  27           HG1      THR  27 -10.304   7.182  -4.600
  352   HG21  THR  27          HG21      THR  27 -11.093   5.093  -8.002
  353   HG22  THR  27          HG22      THR  27 -12.400   5.512  -6.881
  354   HG23  THR  27          HG23      THR  27 -11.203   4.281  -6.428
  355    HA   PRO  28           HA       PRO  28  -5.836   8.706  -6.436
  356    HB2  PRO  28           HB2      PRO  28  -5.675  10.146  -8.753
  357    HB3  PRO  28           HB3      PRO  28  -5.097   8.461  -8.591
  358    HG2  PRO  28           HG2      PRO  28  -7.753   9.403  -9.701
  359    HG3  PRO  28           HG3      PRO  28  -6.602   8.233 -10.425
  360    HD2  PRO  28           HD2      PRO  28  -8.757   7.415  -8.979
  361    HD3  PRO  28           HD3      PRO  28  -7.188   6.557  -8.869
  362    H    LYS  29           H        LYS  29  -6.158  10.260  -5.052
  363    HA   LYS  29           HA       LYS  29  -6.529  12.246  -4.099
  364    HB2  LYS  29           HB2      LYS  29  -5.810  13.053  -6.358
  365    HB3  LYS  29           HB3      LYS  29  -7.494  13.161  -6.838
  366    HG2  LYS  29           HG2      LYS  29  -6.636  15.352  -6.278
  367    HG3  LYS  29           HG3      LYS  29  -7.939  14.904  -5.209
  368    HD2  LYS  29           HD2      LYS  29  -6.166  16.053  -3.980
  369    HD3  LYS  29           HD3      LYS  29  -6.348  14.413  -3.395
  370    HE2  LYS  29           HE2      LYS  29  -4.000  14.873  -3.513
  371    HE3  LYS  29           HE3      LYS  29  -4.364  13.721  -4.794
  372    HZ1  LYS  29           HZ1      LYS  29  -4.032  16.658  -5.169
  373    HZ2  LYS  29           HZ2      LYS  29  -4.326  15.577  -6.375
  374    HZ3  LYS  29           HZ3      LYS  29  -2.918  15.522  -5.545
  375    H    THR  30           H        THR  30  -9.352  11.017  -5.804
  376    HA   THR  30           HA       THR  30 -11.339  12.730  -4.656
  377    HB   THR  30           HB       THR  30 -12.934  10.930  -5.404
  378    HG1  THR  30           HG1      THR  30 -11.404   9.219  -5.189
  379   HG21  THR  30          HG21      THR  30 -10.882  11.857  -7.470
  380   HG22  THR  30          HG22      THR  30 -12.281  12.794  -6.901
  381   HG23  THR  30          HG23      THR  30 -12.535  11.288  -7.803
  Start of MODEL   40
    1    H1   GLY   1           H1       GLY   1  -3.729  11.077  -1.643
    2    H2   GLY   1           H2       GLY   1  -3.710  10.328  -0.182
    3    H3   GLY   1           H3       GLY   1  -5.140  10.779  -0.858
    4    HA2  GLY   1           HA2      GLY   1  -4.850   8.407  -1.077
    5    HA3  GLY   1           HA3      GLY   1  -4.856   9.217  -2.660
    6    H    ILE   2           H        ILE   2  -3.778   6.986  -3.035
    7    HA   ILE   2           HA       ILE   2  -0.824   7.084  -2.542
    8    HB   ILE   2           HB       ILE   2  -1.960   5.064  -1.863
    9   HG12  ILE   2          HG12      ILE   2  -0.195   4.420  -4.244
   10   HG13  ILE   2          HG13      ILE   2   0.431   5.140  -2.753
   11   HG21  ILE   2          HG21      ILE   2  -3.813   4.990  -3.537
   12   HG22  ILE   2          HG22      ILE   2  -2.633   4.571  -4.805
   13   HG23  ILE   2          HG23      ILE   2  -2.939   3.466  -3.453
   14   HD11  ILE   2          HD11      ILE   2   0.784   2.754  -2.708
   15   HD12  ILE   2          HD12      ILE   2  -0.386   3.185  -1.465
   16   HD13  ILE   2          HD13      ILE   2  -0.933   2.427  -2.985
   17    H    VAL   3           H        VAL   3  -3.097   7.419  -5.237
   18    HA   VAL   3           HA       VAL   3  -1.172   6.771  -7.277
   19    HB   VAL   3           HB       VAL   3  -3.599   8.563  -7.526
   20   HG11  VAL   3          HG11      VAL   3  -3.480   8.024  -9.970
   21   HG12  VAL   3          HG12      VAL   3  -2.125   9.009  -9.424
   22   HG13  VAL   3          HG13      VAL   3  -1.893   7.270  -9.704
   23   HG21  VAL   3          HG21      VAL   3  -3.287   5.643  -8.329
   24   HG22  VAL   3          HG22      VAL   3  -4.073   6.169  -6.840
   25   HG23  VAL   3          HG23      VAL   3  -4.760   6.627  -8.407
   26    H    GLU   4           H        GLU   4  -1.841   9.843  -5.574
   27    HA   GLU   4           HA       GLU   4  -0.081  11.505  -7.101
   28    HB2  GLU   4           HB2      GLU   4  -0.161  13.024  -5.239
   29    HB3  GLU   4           HB3      GLU   4  -1.767  12.352  -5.524
   30    HG2  GLU   4           HG2      GLU   4  -1.349  10.717  -3.632
   31    HG3  GLU   4           HG3      GLU   4   0.162  11.559  -3.294
   32    H    GLN   5           H        GLN   5   0.567   9.172  -4.484
   33    HA   GLN   5           HA       GLN   5   3.302  10.079  -4.047
   34    HB2  GLN   5           HB2      GLN   5   1.869   8.998  -2.273
   35    HB3  GLN   5           HB3      GLN   5   1.917   7.488  -3.188
   36    HG2  GLN   5           HG2      GLN   5   4.443   7.523  -2.993
   37    HG3  GLN   5           HG3      GLN   5   4.290   8.927  -1.936
   38   HE21  GLN   5          HE21      GLN   5   2.973   8.575   0.144
   39   HE22  GLN   5          HE22      GLN   5   2.978   6.949   0.812
   40    H    CYS   6           H        CYS   6   1.734   7.317  -5.747
   41    HA   CYS   6           HA       CYS   6   4.243   6.262  -6.707
   42    HB2  CYS   6           HB2      CYS   6   1.354   5.885  -7.578
   43    HB3  CYS   6           HB3      CYS   6   2.712   4.965  -8.214
   44    H    CYS   7           H        CYS   7   2.004   8.583  -8.101
   45    HA   CYS   7           HA       CYS   7   3.284   8.362 -10.754
   46    HB2  CYS   7           HB2      CYS   7   0.792   8.439 -10.326
   47    HB3  CYS   7           HB3      CYS   7   0.974  10.135  -9.888
   48    H    THR   8           H        THR   8   2.799  10.983  -8.329
   49    HA   THR   8           HA       THR   8   4.463  12.856  -9.902
   50    HB   THR   8           HB       THR   8   3.059  13.295  -7.236
   51    HG1  THR   8           HG1      THR   8   1.412  14.166  -8.553
   52   HG21  THR   8          HG21      THR   8   4.058  15.223  -9.387
   53   HG22  THR   8          HG22      THR   8   4.720  15.034  -7.748
   54   HG23  THR   8          HG23      THR   8   3.092  15.674  -7.964
   55    H    SER   9           H        SER   9   4.612  11.084  -6.831
   56    HA   SER   9           HA       SER   9   7.506  11.837  -6.556
   57    HG   SER   9           HG       SER   9   7.364  11.680  -3.104
   58    HB2  SER   9           HB2      SER   9   5.928  12.410  -4.686
   59    HB3  SER   9           HB3      SER   9   5.677  10.675  -4.442
   60    H    ILE  10           H        ILE  10   7.928   9.535  -4.795
   61    HA   ILE  10           HA       ILE  10   7.804   7.194  -6.679
   62    HB   ILE  10           HB       ILE  10   9.956   8.069  -4.714
   63   HG12  ILE  10          HG12      ILE  10   9.915   7.188  -7.644
   64   HG13  ILE  10          HG13      ILE  10  10.125   8.832  -7.033
   65   HG21  ILE  10          HG21      ILE  10   9.662   5.262  -5.843
   66   HG22  ILE  10          HG22      ILE  10  11.049   5.870  -4.919
   67   HG23  ILE  10          HG23      ILE  10   9.501   5.715  -4.134
   68   HD11  ILE  10          HD11      ILE  10  12.090   6.533  -6.812
   69   HD12  ILE  10          HD12      ILE  10  12.262   8.036  -7.727
   70   HD13  ILE  10          HD13      ILE  10  12.278   8.083  -5.954
   71    H    CYS  11           H        CYS  11   6.948   5.346  -5.942
   72    HA   CYS  11           HA       CYS  11   6.301   5.057  -3.044
   73    HB2  CYS  11           HB2      CYS  11   4.158   4.240  -3.420
   74    HB3  CYS  11           HB3      CYS  11   4.266   5.652  -4.448
   75    H    SER  12           H        SER  12   5.480   2.439  -2.994
   76    HA   SER  12           HA       SER  12   7.406   0.799  -4.489
   77    HG   SER  12           HG       SER  12   9.471  -0.401  -1.966
   78    HB2  SER  12           HB2      SER  12   8.652   1.708  -2.463
   79    HB3  SER  12           HB3      SER  12   7.524   0.768  -1.464
   80    H    LEU  13           H        LEU  13   7.171  -1.552  -3.868
   81    HA   LEU  13           HA       LEU  13   4.447  -2.349  -4.231
   82    HG   LEU  13           HG       LEU  13   7.534  -3.046  -5.414
   83    HB2  LEU  13           HB2      LEU  13   6.828  -4.012  -3.322
   84    HB3  LEU  13           HB3      LEU  13   5.328  -4.604  -4.004
   85   HD11  LEU  13          HD11      LEU  13   7.889  -5.461  -5.103
   86   HD12  LEU  13          HD12      LEU  13   7.641  -5.068  -6.819
   87   HD13  LEU  13          HD13      LEU  13   6.330  -5.811  -5.887
   88   HD21  LEU  13          HD21      LEU  13   4.826  -3.818  -6.582
   89   HD22  LEU  13          HD22      LEU  13   6.216  -3.226  -7.506
   90   HD23  LEU  13          HD23      LEU  13   5.433  -2.166  -6.332
   91    H    TYR  14           H        TYR  14   6.469  -2.179  -1.331
   92    HA   TYR  14           HA       TYR  14   4.659  -3.370   0.503
   93    HD1  TYR  14           HD2      TYR  14   5.782  -4.237   2.806
   94    HD2  TYR  14           HD1      TYR  14   6.022   0.072   2.814
   95    HE1  TYR  14           HE2      TYR  14   5.224  -4.213   5.229
   96    HE2  TYR  14           HE1      TYR  14   5.461   0.095   5.237
   97    HH   TYR  14           HH       TYR  14   4.868  -2.914   7.098
   98    HB2  TYR  14           HB2      TYR  14   7.018  -2.874   0.979
   99    HB3  TYR  14           HB3      TYR  14   6.706  -1.147   0.876
  100    H    GLN  15           H        GLN  15   4.582  -0.183  -0.984
  101    HA   GLN  15           HA       GLN  15   2.489   0.851   0.863
  102    HB2  GLN  15           HB2      GLN  15   3.526   2.049  -1.742
  103    HB3  GLN  15           HB3      GLN  15   2.498   2.832  -0.553
  104    HG2  GLN  15           HG2      GLN  15   5.389   1.946  -0.090
  105    HG3  GLN  15           HG3      GLN  15   4.870   3.581  -0.438
  106   HE21  GLN  15          HE21      GLN  15   6.371   3.105   1.863
  107   HE22  GLN  15          HE22      GLN  15   5.333   3.303   3.261
  108    H    LEU  16           H        LEU  16   2.761  -0.512  -2.455
  109    HA   LEU  16           HA       LEU  16  -0.037  -0.314  -3.094
  110    HG   LEU  16           HG       LEU  16   2.967  -0.407  -4.685
  111    HB2  LEU  16           HB2      LEU  16   1.946  -2.457  -3.974
  112    HB3  LEU  16           HB3      LEU  16   0.427  -2.062  -4.745
  113   HD11  LEU  16          HD11      LEU  16   2.873  -0.677  -7.107
  114   HD12  LEU  16          HD12      LEU  16   1.321  -1.534  -6.982
  115   HD13  LEU  16          HD13      LEU  16   2.803  -2.266  -6.331
  116   HD21  LEU  16          HD21      LEU  16   1.809   1.277  -6.059
  117   HD22  LEU  16          HD22      LEU  16   1.165   1.213  -4.422
  118   HD23  LEU  16          HD23      LEU  16   0.258   0.463  -5.760
  119    H    GLU  17           H        GLU  17   1.799  -2.809  -1.330
  120    HA   GLU  17           HA       GLU  17  -0.232  -4.709  -1.008
  121    HB2  GLU  17           HB2      GLU  17   2.209  -4.952  -0.511
  122    HB3  GLU  17           HB3      GLU  17   1.956  -4.068   0.992
  123    HG2  GLU  17           HG2      GLU  17   0.350  -5.830   1.733
  124    HG3  GLU  17           HG3      GLU  17   0.589  -6.676   0.197
  125    H    ASN  18           H        ASN  18   0.251  -1.699   0.829
  126    HA   ASN  18           HA       ASN  18  -1.514  -2.251   3.009
  127    HB2  ASN  18           HB2      ASN  18   0.172  -0.445   2.953
  128    HB3  ASN  18           HB3      ASN  18  -0.757   0.399   1.709
  129   HD21  ASN  18          HD21      ASN  18  -2.437   1.776   2.359
  130   HD22  ASN  18          HD22      ASN  18  -2.954   1.913   4.031
  131    H    TYR  19           H        TYR  19  -2.182  -1.459  -0.328
  132    HA   TYR  19           HA       TYR  19  -5.017  -0.745   0.196
  133    HD1  TYR  19           HD1      TYR  19  -2.036   1.224  -0.452
  134    HD2  TYR  19           HD2      TYR  19  -6.110   1.586  -1.806
  135    HE1  TYR  19           HE1      TYR  19  -2.089   3.587   0.346
  136    HE2  TYR  19           HE2      TYR  19  -6.176   3.941  -1.018
  137    HH   TYR  19           HH       TYR  19  -5.019   5.638   0.014
  138    HB2  TYR  19           HB2      TYR  19  -3.126  -0.423  -2.143
  139    HB3  TYR  19           HB3      TYR  19  -4.855  -0.331  -2.366
  140    H    CYS  20           H        CYS  20  -3.449  -3.652  -0.172
  141    HA   CYS  20           HA       CYS  20  -5.287  -4.969  -1.983
  142    HB2  CYS  20           HB2      CYS  20  -3.554  -6.136   0.211
  143    HB3  CYS  20           HB3      CYS  20  -4.381  -7.050  -1.050
  144    H    ASN  21           H        ASN  21  -6.906  -6.474  -1.514
  145    HA   ASN  21           HA       ASN  21  -8.233  -6.377   1.161
  146    HB2  ASN  21           HB2      ASN  21  -9.306  -4.744  -0.376
  147    HB3  ASN  21           HB3      ASN  21  -9.572  -6.017  -1.564
  148   HD21  ASN  21          HD21      ASN  21 -10.792  -7.993  -0.556
  149   HD22  ASN  21          HD22      ASN  21 -12.237  -7.542   0.374
  150    HA   PHE   1           HA       PHE   1  11.233  -3.466 -10.074
  151    HD1  PHE   1           HD2      PHE   1  10.392  -5.380  -6.412
  152    HD2  PHE   1           HD1      PHE   1   9.529  -7.412 -10.132
  153    HE1  PHE   1           HE2      PHE   1  10.422  -7.564  -5.240
  154    HE2  PHE   1           HE1      PHE   1   9.569  -9.588  -8.940
  155    HZ   PHE   1           HZ       PHE   1  10.007  -9.665  -6.502
  156    H1   PHE   1           H1       PHE   1  12.463  -6.045  -9.396
  157    H2   PHE   1           H2       PHE   1  13.163  -4.838 -10.258
  158    H3   PHE   1           H3       PHE   1  11.871  -5.642 -10.873
  159    HB2  PHE   1           HB2      PHE   1   9.386  -4.186  -8.535
  160    HB3  PHE   1           HB3      PHE   1   9.476  -5.032 -10.060
  161    H    VAL   2           H        VAL   2  10.916  -2.011  -8.330
  162    HA   VAL   2           HA       VAL   2  12.159  -2.298  -5.714
  163    HB   VAL   2           HB       VAL   2  14.155  -2.143  -7.170
  164   HG11  VAL   2          HG11      VAL   2  14.772  -0.128  -8.337
  165   HG12  VAL   2          HG12      VAL   2  13.263  -0.765  -9.006
  166   HG13  VAL   2          HG13      VAL   2  13.232   0.644  -7.922
  167   HG21  VAL   2          HG21      VAL   2  14.043   0.390  -5.549
  168   HG22  VAL   2          HG22      VAL   2  14.159  -1.234  -4.817
  169   HG23  VAL   2          HG23      VAL   2  15.419  -0.646  -5.915
  170    H    ASN   3           H        ASN   3  12.306   0.248  -4.838
  171    HA   ASN   3           HA       ASN   3   9.671   1.400  -5.113
  172    HB2  ASN   3           HB2      ASN   3  10.530   3.303  -3.856
  173    HB3  ASN   3           HB3      ASN   3  10.903   1.773  -3.091
  174   HD21  ASN   3          HD21      ASN   3  13.094   1.171  -2.756
  175   HD22  ASN   3          HD22      ASN   3  14.415   2.248  -3.163
  176    H    GLN   4           H        GLN   4   8.885   2.891  -6.483
  177    HA   GLN   4           HA       GLN   4  10.565   3.768  -8.782
  178    HB2  GLN   4           HB2      GLN   4   8.499   1.534  -8.748
  179    HB3  GLN   4           HB3      GLN   4   8.712   2.489 -10.207
  180    HG2  GLN   4           HG2      GLN   4  10.996   1.832 -10.467
  181    HG3  GLN   4           HG3      GLN   4  11.046   1.082  -8.872
  182   HE21  GLN   4          HE22      GLN   4   8.943   0.790 -11.844
  183   HE22  GLN   4          HE21      GLN   4   8.984  -0.968 -11.808
  184    H    HIS   5           H        HIS   5   9.298   4.875 -10.462
  185    HA   HIS   5           HA       HIS   5   6.912   6.362  -9.505
  186    HD1  HIS   5           HD1      HIS   5   7.830   9.012  -9.287
  187    HD2  HIS   5           HD2      HIS   5  10.644   7.539 -12.049
  188    HE1  HIS   5           HE1      HIS   5   9.894  10.475  -9.048
  189    HB2  HIS   5           HB2      HIS   5   8.337   6.433 -12.195
  190    HB3  HIS   5           HB3      HIS   5   7.015   7.473 -11.674
  191    H    LEU   6           H        LEU   6   4.892   5.713 -10.140
  192    HA   LEU   6           HA       LEU   6   4.437   3.689 -12.256
  193    HG   LEU   6           HG       LEU   6   5.960   2.292  -9.965
  194    HB2  LEU   6           HB2      LEU   6   3.797   3.353  -9.295
  195    HB3  LEU   6           HB3      LEU   6   2.965   2.435 -10.544
  196   HD11  LEU   6          HD11      LEU   6   4.604   1.396  -8.112
  197   HD12  LEU   6          HD12      LEU   6   5.430   0.092  -8.986
  198   HD13  LEU   6          HD13      LEU   6   3.695   0.382  -9.254
  199   HD21  LEU   6          HD21      LEU   6   5.435   1.695 -12.324
  200   HD22  LEU   6          HD22      LEU   6   4.171   0.578 -11.763
  201   HD23  LEU   6          HD23      LEU   6   5.881   0.263 -11.393
  202    H    CYS   7           H        CYS   7   2.511   4.138 -13.318
  203    HA   CYS   7           HA       CYS   7   0.374   5.615 -11.984
  204    HB2  CYS   7           HB2      CYS   7   2.244   7.256 -12.720
  205    HB3  CYS   7           HB3      CYS   7   1.655   6.989 -14.354
  206    H    GLY   8           H        GLY   8  -1.504   5.837 -13.215
  207    HA2  GLY   8           HA2      GLY   8  -3.199   5.062 -14.603
  208    HA3  GLY   8           HA3      GLY   8  -1.954   4.958 -15.853
  209    H    SER   9           H        SER   9  -2.323   3.083 -16.842
  210    HA   SER   9           HA       SER   9  -3.432   0.715 -15.721
  211    HG   SER   9           HG       SER   9  -3.694   1.230 -19.266
  212    HB2  SER   9           HB2      SER   9  -1.652   0.989 -18.170
  213    HB3  SER   9           HB3      SER   9  -2.787  -0.330 -17.817
  214    H    HIS  10           H        HIS  10  -0.073   1.810 -15.961
  215    HA   HIS  10           HA       HIS  10   1.221  -0.680 -15.372
  216    HD1  HIS  10           HD1      HIS  10   1.730   3.777 -16.552
  217    HD2  HIS  10           HD2      HIS  10   2.688  -0.094 -17.893
  218    HE1  HIS  10           HE1      HIS  10   1.868   3.915 -19.102
  219    HB2  HIS  10           HB2      HIS  10   2.212   2.110 -14.672
  220    HB3  HIS  10           HB3      HIS  10   3.174   0.700 -15.105
  221    H    LEU  11           H        LEU  11   0.074   1.996 -13.285
  222    HA   LEU  11           HA       LEU  11   0.926   0.803 -10.787
  223    HG   LEU  11           HG       LEU  11  -1.610   2.229  -9.208
  224    HB2  LEU  11           HB2      LEU  11   0.594   3.207 -11.053
  225    HB3  LEU  11           HB3      LEU  11  -1.097   2.979 -11.474
  226   HD11  LEU  11          HD11      LEU  11   0.492   1.137  -8.539
  227   HD12  LEU  11          HD12      LEU  11   0.080   2.416  -7.400
  228   HD13  LEU  11          HD13      LEU  11   1.351   2.694  -8.613
  229   HD21  LEU  11          HD21      LEU  11  -1.215   4.384  -8.068
  230   HD22  LEU  11          HD22      LEU  11  -1.674   4.635  -9.765
  231   HD23  LEU  11          HD23      LEU  11   0.016   4.811  -9.271
  232    H    VAL  12           H        VAL  12  -2.177   0.885 -12.554
  233    HA   VAL  12           HA       VAL  12  -3.679  -0.686 -10.710
  234    HB   VAL  12           HB       VAL  12  -3.927  -0.283 -13.704
  235   HG11  VAL  12          HG11      VAL  12  -6.237  -1.190 -13.567
  236   HG12  VAL  12          HG12      VAL  12  -5.024  -2.445 -13.283
  237   HG13  VAL  12          HG13      VAL  12  -5.909  -1.745 -11.911
  238   HG21  VAL  12          HG21      VAL  12  -5.567   0.741 -11.340
  239   HG22  VAL  12          HG22      VAL  12  -4.366   1.681 -12.237
  240   HG23  VAL  12          HG23      VAL  12  -5.841   1.141 -13.050
  241    H    GLU  13           H        GLU  13  -1.604  -1.758 -13.431
  242    HA   GLU  13           HA       GLU  13  -2.017  -4.564 -13.059
  243    HB2  GLU  13           HB2      GLU  13  -1.081  -3.464 -15.083
  244    HB3  GLU  13           HB3      GLU  13   0.406  -3.104 -14.201
  245    HG2  GLU  13           HG2      GLU  13   0.836  -5.503 -13.905
  246    HG3  GLU  13           HG3      GLU  13  -0.708  -5.908 -14.660
  247    H    ALA  14           H        ALA  14   0.541  -2.350 -11.781
  248    HA   ALA  14           HA       ALA  14   2.006  -4.312 -10.347
  249    HB1  ALA  14           HB1      ALA  14   1.625  -1.358  -9.687
  250    HB2  ALA  14           HB2      ALA  14   2.947  -2.410  -9.123
  251    HB3  ALA  14           HB3      ALA  14   2.804  -2.021 -10.846
  252    H    LEU  15           H        LEU  15  -0.728  -2.291  -9.189
  253    HA   LEU  15           HA       LEU  15  -0.970  -3.336  -6.549
  254    HG   LEU  15           HG       LEU  15  -1.222  -0.749  -7.128
  255    HB2  LEU  15           HB2      LEU  15  -2.907  -2.154  -8.578
  256    HB3  LEU  15           HB3      LEU  15  -3.490  -2.750  -7.039
  257   HD11  LEU  15          HD11      LEU  15  -3.086   0.225  -8.432
  258   HD12  LEU  15          HD12      LEU  15  -2.864   1.061  -6.889
  259   HD13  LEU  15          HD13      LEU  15  -4.198  -0.102  -7.093
  260   HD21  LEU  15          HD21      LEU  15  -2.024  -0.188  -4.864
  261   HD22  LEU  15          HD22      LEU  15  -1.796  -1.948  -4.952
  262   HD23  LEU  15          HD23      LEU  15  -3.422  -1.266  -5.055
  263    H    TYR  16           H        TYR  16  -2.655  -4.468  -9.540
  264    HA   TYR  16           HA       TYR  16  -3.910  -6.713  -8.386
  265    HD1  TYR  16           HD2      TYR  16  -5.844  -7.960  -9.688
  266    HD2  TYR  16           HD1      TYR  16  -2.397  -8.243 -12.266
  267    HE1  TYR  16           HE2      TYR  16  -6.532 -10.247 -10.351
  268    HE2  TYR  16           HE1      TYR  16  -3.080 -10.544 -12.932
  269    HH   TYR  16           HH       TYR  16  -6.046 -12.105 -11.625
  270    HB2  TYR  16           HB2      TYR  16  -4.495  -5.880 -10.590
  271    HB3  TYR  16           HB3      TYR  16  -2.882  -6.196 -11.206
  272    H    LEU  17           H        LEU  17  -0.625  -6.505  -9.779
  273    HA   LEU  17           HA       LEU  17  -0.049  -9.320  -9.380
  274    HG   LEU  17           HG       LEU  17   0.227  -7.681 -11.877
  275    HB2  LEU  17           HB2      LEU  17   1.706  -6.909  -9.964
  276    HB3  LEU  17           HB3      LEU  17   2.340  -8.546  -9.847
  277   HD11  LEU  17          HD11      LEU  17   2.063  -7.802 -13.510
  278   HD12  LEU  17          HD12      LEU  17   3.216  -8.171 -12.212
  279   HD13  LEU  17          HD13      LEU  17   2.408  -6.589 -12.266
  280   HD21  LEU  17          HD21      LEU  17   0.820  -9.843 -12.988
  281   HD22  LEU  17          HD22      LEU  17   0.057 -10.082 -11.416
  282   HD23  LEU  17          HD23      LEU  17   1.819 -10.271 -11.589
  283    H    VAL  18           H        VAL  18   0.609  -6.466  -7.393
  284    HA   VAL  18           HA       VAL  18   2.130  -7.901  -5.386
  285    HB   VAL  18           HB       VAL  18   0.606  -5.276  -5.299
  286   HG11  VAL  18          HG11      VAL  18   1.726  -4.818  -3.121
  287   HG12  VAL  18          HG12      VAL  18   0.518  -6.090  -2.988
  288   HG13  VAL  18          HG13      VAL  18   2.247  -6.507  -3.037
  289   HG21  VAL  18          HG21      VAL  18   3.585  -5.972  -5.122
  290   HG22  VAL  18          HG22      VAL  18   2.781  -5.390  -6.585
  291   HG23  VAL  18          HG23      VAL  18   2.899  -4.343  -5.162
  292    H    CYS  19           H        CYS  19  -1.359  -7.148  -5.712
  293    HA   CYS  19           HA       CYS  19  -2.003  -8.411  -3.163
  294    HB2  CYS  19           HB2      CYS  19  -3.781  -7.429  -5.418
  295    HB3  CYS  19           HB3      CYS  19  -4.321  -7.874  -3.805
  296    H    GLY  20           H        GLY  20  -1.980  -9.580  -6.495
  297    HA2  GLY  20           HA2      GLY  20  -2.063 -11.757  -7.293
  298    HA3  GLY  20           HA3      GLY  20  -1.898 -12.303  -5.621
  299    H    GLU  21           H        GLU  21  -3.548 -13.384  -4.773
  300    HA   GLU  21           HA       GLU  21  -6.091 -13.713  -6.177
  301    HB2  GLU  21           HB2      GLU  21  -5.068 -14.761  -3.504
  302    HB3  GLU  21           HB3      GLU  21  -6.615 -15.204  -4.244
  303    HG2  GLU  21           HG2      GLU  21  -5.414 -16.082  -6.239
  304    HG3  GLU  21           HG3      GLU  21  -3.868 -15.719  -5.469
  305    H    ARG  22           H        ARG  22  -4.951 -11.517  -3.704
  306    HA   ARG  22           HA       ARG  22  -7.599 -10.890  -2.607
  307    HE   ARG  22           HE       ARG  22  -3.637 -11.375   1.503
  308    HB2  ARG  22           HB2      ARG  22  -4.901  -9.498  -2.372
  309    HB3  ARG  22           HB3      ARG  22  -6.371  -8.952  -1.588
  310    HG2  ARG  22           HG2      ARG  22  -6.527 -11.137  -0.384
  311    HG3  ARG  22           HG3      ARG  22  -4.998 -11.637  -1.121
  312    HD2  ARG  22           HD2      ARG  22  -3.843  -9.716  -0.087
  313    HD3  ARG  22           HD3      ARG  22  -5.351  -9.168   0.644
  314   HH11  ARG  22          HH11      ARG  22  -6.940 -10.056   1.805
  315   HH12  ARG  22          HH12      ARG  22  -7.229 -10.952   3.271
  316   HH21  ARG  22          HH21      ARG  22  -4.108 -12.466   3.396
  317   HH22  ARG  22          HH22      ARG  22  -5.663 -12.279   4.157
  318    H    GLY  23           H        GLY  23  -8.579  -8.789  -2.807
  319    HA2  GLY  23           HA2      GLY  23  -8.567  -7.604  -5.516
  320    HA3  GLY  23           HA3      GLY  23  -9.547  -7.096  -4.128
  321    H    PHE  24           H        PHE  24  -8.642  -5.051  -5.408
  322    HA   PHE  24           HA       PHE  24  -6.599  -3.843  -3.687
  323    HD1  PHE  24           HD1      PHE  24  -6.526  -6.040  -7.383
  324    HD2  PHE  24           HD2      PHE  24  -5.914  -1.776  -7.239
  325    HE1  PHE  24           HE1      PHE  24  -7.124  -5.864  -9.793
  326    HE2  PHE  24           HE2      PHE  24  -6.489  -1.609  -9.643
  327    HZ   PHE  24           HZ       PHE  24  -7.102  -3.656 -10.921
  328    HB2  PHE  24           HB2      PHE  24  -5.095  -3.242  -5.431
  329    HB3  PHE  24           HB3      PHE  24  -5.317  -4.976  -5.500
  330    H    PHE  25           H        PHE  25  -6.245  -1.499  -4.266
  331    HA   PHE  25           HA       PHE  25  -8.400  -0.132  -5.715
  332    HD1  PHE  25           HD2      PHE  25 -10.583   0.992  -5.354
  333    HD2  PHE  25           HD1      PHE  25  -8.294   2.391  -1.975
  334    HE1  PHE  25           HE2      PHE  25 -11.746   3.183  -5.471
  335    HE2  PHE  25           HE1      PHE  25  -9.466   4.567  -2.081
  336    HZ   PHE  25           HZ       PHE  25 -11.195   4.975  -3.829
  337    HB2  PHE  25           HB2      PHE  25  -9.395  -0.570  -3.500
  338    HB3  PHE  25           HB3      PHE  25  -8.012   0.164  -2.710
  339    H    TYR  26           H        TYR  26  -7.920   2.005  -6.268
  340    HA   TYR  26           HA       TYR  26  -5.385   3.223  -5.384
  341    HD1  TYR  26           HD1      TYR  26  -6.701   0.659  -8.373
  342    HD2  TYR  26           HD2      TYR  26  -6.852   4.902  -9.110
  343    HE1  TYR  26           HE1      TYR  26  -8.394   0.280 -10.162
  344    HE2  TYR  26           HE2      TYR  26  -8.518   4.532 -10.918
  345    HH   TYR  26           HH       TYR  26  -9.715   1.254 -11.771
  346    HB2  TYR  26           HB2      TYR  26  -5.113   3.933  -7.720
  347    HB3  TYR  26           HB3      TYR  26  -4.952   2.204  -7.512
  348    H    THR  27           H        THR  27  -5.403   5.483  -5.351
  349    HA   THR  27           HA       THR  27  -7.740   7.035  -6.113
  350    HB   THR  27           HB       THR  27  -8.652   6.165  -4.122
  351    HG1  THR  27           HG1      THR  27  -9.022   8.115  -3.079
  352   HG21  THR  27          HG21      THR  27  -6.634   5.494  -2.870
  353   HG22  THR  27          HG22      THR  27  -7.676   6.531  -1.892
  354   HG23  THR  27          HG23      THR  27  -6.209   7.201  -2.625
  355    HA   PRO  28           HA       PRO  28  -4.370  10.029  -6.199
  356    HB2  PRO  28           HB2      PRO  28  -5.538  11.967  -7.662
  357    HB3  PRO  28           HB3      PRO  28  -5.410  10.314  -8.325
  358    HG2  PRO  28           HG2      PRO  28  -7.790  11.523  -6.868
  359    HG3  PRO  28           HG3      PRO  28  -7.769  10.770  -8.494
  360    HD2  PRO  28           HD2      PRO  28  -8.405   9.373  -6.215
  361    HD3  PRO  28           HD3      PRO  28  -7.557   8.621  -7.595
  362    H    LYS  29           H        LYS  29  -4.706  12.791  -6.105
  363    HA   LYS  29           HA       LYS  29  -5.029  13.299  -3.253
  364    HB2  LYS  29           HB2      LYS  29  -4.130  15.458  -3.760
  365    HB3  LYS  29           HB3      LYS  29  -3.188  14.232  -4.600
  366    HG2  LYS  29           HG2      LYS  29  -4.418  14.741  -6.717
  367    HG3  LYS  29           HG3      LYS  29  -5.290  16.028  -5.879
  368    HD2  LYS  29           HD2      LYS  29  -2.270  15.888  -6.270
  369    HD3  LYS  29           HD3      LYS  29  -3.395  16.867  -7.228
  370    HE2  LYS  29           HE2      LYS  29  -4.084  18.093  -5.160
  371    HE3  LYS  29           HE3      LYS  29  -2.892  17.175  -4.230
  372    HZ1  LYS  29           HZ1      LYS  29  -2.242  18.987  -6.483
  373    HZ2  LYS  29           HZ2      LYS  29  -1.146  18.134  -5.619
  374    HZ3  LYS  29           HZ3      LYS  29  -2.010  19.317  -4.905
  375    H    THR  30           H        THR  30  -7.164  13.584  -5.954
  376    HA   THR  30           HA       THR  30  -8.778  15.789  -4.869
  377    HB   THR  30           HB       THR  30 -10.211  15.320  -6.897
  378    HG1  THR  30           HG1      THR  30  -9.287  14.017  -8.476
  379   HG21  THR  30          HG21      THR  30  -7.263  15.886  -7.449
  380   HG22  THR  30          HG22      THR  30  -8.437  17.074  -6.844
  381   HG23  THR  30          HG23      THR  30  -8.644  16.361  -8.453
  Start of MODEL   41
    1    H1   GLY   1           H1       GLY   1  -3.069  11.110  -0.533
    2    H2   GLY   1           H2       GLY   1  -4.498  10.311  -0.635
    3    H3   GLY   1           H3       GLY   1  -4.144  11.486  -1.718
    4    HA2  GLY   1           HA2      GLY   1  -2.315  10.193  -2.622
    5    HA3  GLY   1           HA3      GLY   1  -2.721   8.922  -1.453
    6    H    ILE   2           H        ILE   2  -4.577   7.671  -4.314
    7    HA   ILE   2           HA       ILE   2  -1.875   7.651  -2.951
    8    HB   ILE   2           HB       ILE   2  -1.722   5.342  -3.475
    9   HG12  ILE   2          HG12      ILE   2  -4.522   5.402  -4.676
   10   HG13  ILE   2          HG13      ILE   2  -3.031   5.306  -5.620
   11   HG21  ILE   2          HG21      ILE   2  -3.382   4.500  -1.917
   12   HG22  ILE   2          HG22      ILE   2  -2.846   6.090  -1.386
   13   HG23  ILE   2          HG23      ILE   2  -4.427   5.902  -2.185
   14   HD11  ILE   2          HD11      ILE   2  -3.894   3.088  -5.422
   15   HD12  ILE   2          HD12      ILE   2  -2.447   3.183  -4.407
   16   HD13  ILE   2          HD13      ILE   2  -4.065   3.222  -3.666
   17    H    VAL   3           H        VAL   3  -3.308   8.072  -6.101
   18    HA   VAL   3           HA       VAL   3  -1.264   7.103  -7.720
   19    HB   VAL   3           HB       VAL   3  -3.067   9.476  -8.277
   20   HG11  VAL   3          HG11      VAL   3  -1.190   9.656  -9.839
   21   HG12  VAL   3          HG12      VAL   3  -1.272   7.919 -10.200
   22   HG13  VAL   3          HG13      VAL   3  -2.581   9.007 -10.704
   23   HG21  VAL   3          HG21      VAL   3  -3.211   6.585  -9.248
   24   HG22  VAL   3          HG22      VAL   3  -4.186   7.225  -7.921
   25   HG23  VAL   3          HG23      VAL   3  -4.397   7.864  -9.557
   26    H    GLU   4           H        GLU   4  -1.435  10.481  -6.432
   27    HA   GLU   4           HA       GLU   4   0.888  11.440  -7.715
   28    HB2  GLU   4           HB2      GLU   4  -0.840  12.812  -6.581
   29    HB3  GLU   4           HB3      GLU   4  -0.256  12.259  -5.012
   30    HG2  GLU   4           HG2      GLU   4   1.941  13.330  -5.458
   31    HG3  GLU   4           HG3      GLU   4   1.374  13.812  -7.066
   32    H    GLN   5           H        GLN   5   0.618   9.542  -4.712
   33    HA   GLN   5           HA       GLN   5   3.339  10.035  -3.849
   34    HB2  GLN   5           HB2      GLN   5   1.536   9.490  -2.266
   35    HB3  GLN   5           HB3      GLN   5   1.289   7.926  -3.043
   36    HG2  GLN   5           HG2      GLN   5   2.506   7.664  -0.956
   37    HG3  GLN   5           HG3      GLN   5   3.499   7.154  -2.311
   38   HE21  GLN   5          HE21      GLN   5   5.390   8.471  -2.876
   39   HE22  GLN   5          HE22      GLN   5   6.007   9.667  -1.747
   40    H    CYS   6           H        CYS   6   1.825   7.505  -5.890
   41    HA   CYS   6           HA       CYS   6   4.478   6.169  -6.037
   42    HB2  CYS   6           HB2      CYS   6   2.047   5.055  -5.844
   43    HB3  CYS   6           HB3      CYS   6   2.166   5.154  -7.604
   44    H    CYS   7           H        CYS   7   2.595   8.357  -7.938
   45    HA   CYS   7           HA       CYS   7   4.056   7.716 -10.445
   46    HB2  CYS   7           HB2      CYS   7   1.592   7.882 -10.448
   47    HB3  CYS   7           HB3      CYS   7   1.709   9.555  -9.896
   48    H    THR   8           H        THR   8   3.254  10.707  -8.595
   49    HA   THR   8           HA       THR   8   5.207  12.300 -10.107
   50    HB   THR   8           HB       THR   8   3.549  13.095  -7.687
   51    HG1  THR   8           HG1      THR   8   2.170  13.939  -9.389
   52   HG21  THR   8          HG21      THR   8   5.380  14.670  -8.214
   53   HG22  THR   8          HG22      THR   8   3.818  15.376  -8.625
   54   HG23  THR   8          HG23      THR   8   4.862  14.722  -9.910
   55    H    SER   9           H        SER   9   4.794  11.186  -6.765
   56    HA   SER   9           HA       SER   9   7.756  11.302  -6.328
   57    HG   SER   9           HG       SER   9   8.141  11.360  -3.712
   58    HB2  SER   9           HB2      SER   9   6.203  12.026  -4.485
   59    HB3  SER   9           HB3      SER   9   5.575  10.383  -4.443
   60    H    ILE  10           H        ILE  10   7.746   8.817  -4.794
   61    HA   ILE  10           HA       ILE  10   7.230   6.740  -6.879
   62    HB   ILE  10           HB       ILE  10   9.373   5.663  -6.347
   63   HG12  ILE  10          HG12      ILE  10  10.080   8.226  -4.850
   64   HG13  ILE  10          HG13      ILE  10   9.869   6.616  -4.151
   65   HG21  ILE  10          HG21      ILE  10   9.788   8.467  -7.438
   66   HG22  ILE  10          HG22      ILE  10  10.689   6.989  -7.850
   67   HG23  ILE  10          HG23      ILE  10   8.996   7.145  -8.327
   68   HD11  ILE  10          HD11      ILE  10  12.213   6.999  -4.323
   69   HD12  ILE  10          HD12      ILE  10  11.803   5.827  -5.600
   70   HD13  ILE  10          HD13      ILE  10  12.083   7.537  -6.008
   71    H    CYS  11           H        CYS  11   6.856   4.670  -6.167
   72    HA   CYS  11           HA       CYS  11   7.020   4.072  -3.310
   73    HB2  CYS  11           HB2      CYS  11   4.861   3.697  -2.781
   74    HB3  CYS  11           HB3      CYS  11   4.635   5.042  -3.860
   75    H    SER  12           H        SER  12   6.403   1.712  -2.899
   76    HA   SER  12           HA       SER  12   7.625   0.053  -5.096
   77    HG   SER  12           HG       SER  12   9.813  -1.615  -3.048
   78    HB2  SER  12           HB2      SER  12   9.062   0.636  -3.011
   79    HB3  SER  12           HB3      SER  12   8.027  -0.524  -2.160
   80    H    LEU  13           H        LEU  13   7.301  -2.326  -4.770
   81    HA   LEU  13           HA       LEU  13   4.525  -2.980  -4.902
   82    HG   LEU  13           HG       LEU  13   7.456  -3.608  -6.425
   83    HB2  LEU  13           HB2      LEU  13   6.899  -4.822  -4.398
   84    HB3  LEU  13           HB3      LEU  13   5.331  -5.284  -5.024
   85   HD11  LEU  13          HD11      LEU  13   7.864  -6.032  -6.359
   86   HD12  LEU  13          HD12      LEU  13   7.502  -5.487  -8.012
   87   HD13  LEU  13          HD13      LEU  13   6.261  -6.336  -7.069
   88   HD21  LEU  13          HD21      LEU  13   5.982  -3.587  -8.414
   89   HD22  LEU  13          HD22      LEU  13   5.272  -2.675  -7.080
   90   HD23  LEU  13          HD23      LEU  13   4.673  -4.310  -7.468
   91    H    TYR  14           H        TYR  14   6.862  -3.238  -2.257
   92    HA   TYR  14           HA       TYR  14   5.221  -4.541  -0.332
   93    HD1  TYR  14           HD2      TYR  14   6.981  -6.098   0.819
   94    HD2  TYR  14           HD1      TYR  14   9.274  -3.096  -1.258
   95    HE1  TYR  14           HE2      TYR  14   8.630  -7.829   0.142
   96    HE2  TYR  14           HE1      TYR  14  10.925  -4.826  -1.937
   97    HH   TYR  14           HH       TYR  14  10.594  -8.274  -0.991
   98    HB2  TYR  14           HB2      TYR  14   7.398  -2.442   0.040
   99    HB3  TYR  14           HB3      TYR  14   6.792  -3.514   1.286
  100    H    GLN  15           H        GLN  15   5.248  -1.200  -1.390
  101    HA   GLN  15           HA       GLN  15   3.435  -0.265   0.776
  102    HB2  GLN  15           HB2      GLN  15   4.386   1.227  -1.715
  103    HB3  GLN  15           HB3      GLN  15   3.554   1.899  -0.322
  104    HG2  GLN  15           HG2      GLN  15   6.383   0.757  -0.354
  105    HG3  GLN  15           HG3      GLN  15   5.932   2.444  -0.232
  106   HE21  GLN  15          HE21      GLN  15   4.642   3.103   1.813
  107   HE22  GLN  15          HE22      GLN  15   5.005   2.201   3.272
  108    H    LEU  16           H        LEU  16   3.275  -1.177  -2.703
  109    HA   LEU  16           HA       LEU  16   0.475  -0.610  -3.030
  110    HG   LEU  16           HG       LEU  16   3.147  -0.635  -4.972
  111    HB2  LEU  16           HB2      LEU  16   2.170  -2.769  -4.348
  112    HB3  LEU  16           HB3      LEU  16   0.579  -2.254  -4.870
  113   HD11  LEU  16          HD11      LEU  16   2.755  -0.698  -7.384
  114   HD12  LEU  16          HD12      LEU  16   1.242  -1.595  -7.145
  115   HD13  LEU  16          HD13      LEU  16   2.804  -2.348  -6.738
  116   HD21  LEU  16          HD21      LEU  16   1.833   1.147  -6.068
  117   HD22  LEU  16          HD22      LEU  16   1.381   0.944  -4.374
  118   HD23  LEU  16          HD23      LEU  16   0.336   0.296  -5.656
  119    H    GLU  17           H        GLU  17   2.150  -3.467  -1.700
  120    HA   GLU  17           HA       GLU  17  -0.120  -5.090  -1.436
  121    HB2  GLU  17           HB2      GLU  17   2.221  -5.841  -1.220
  122    HB3  GLU  17           HB3      GLU  17   2.320  -5.081   0.371
  123    HG2  GLU  17           HG2      GLU  17   0.686  -6.593   1.290
  124    HG3  GLU  17           HG3      GLU  17   0.154  -7.103  -0.315
  125    H    ASN  18           H        ASN  18   0.832  -2.380   0.618
  126    HA   ASN  18           HA       ASN  18  -0.754  -2.925   2.921
  127    HB2  ASN  18           HB2      ASN  18   1.013  -1.182   2.756
  128    HB3  ASN  18           HB3      ASN  18  -0.003  -0.270   1.641
  129   HD21  ASN  18          HD21      ASN  18  -1.425   1.225   2.502
  130   HD22  ASN  18          HD22      ASN  18  -1.814   1.310   4.210
  131    H    TYR  19           H        TYR  19  -1.695  -1.881  -0.302
  132    HA   TYR  19           HA       TYR  19  -4.382  -0.987   0.547
  133    HD1  TYR  19           HD1      TYR  19  -4.603   1.406   0.338
  134    HD2  TYR  19           HD2      TYR  19  -1.111   0.556  -2.039
  135    HE1  TYR  19           HE1      TYR  19  -3.539   3.499   1.159
  136    HE2  TYR  19           HE2      TYR  19  -0.042   2.645  -1.224
  137    HH   TYR  19           HH       TYR  19  -1.668   4.842   1.112
  138    HB2  TYR  19           HB2      TYR  19  -2.933  -0.932  -2.126
  139    HB3  TYR  19           HB3      TYR  19  -4.511  -0.258  -1.815
  140    H    CYS  20           H        CYS  20  -3.092  -3.990  -0.159
  141    HA   CYS  20           HA       CYS  20  -5.156  -5.065  -1.865
  142    HB2  CYS  20           HB2      CYS  20  -3.356  -6.495   0.113
  143    HB3  CYS  20           HB3      CYS  20  -4.348  -7.261  -1.131
  144    H    ASN  21           H        ASN  21  -6.818  -6.502  -1.375
  145    HA   ASN  21           HA       ASN  21  -8.052  -6.390   1.350
  146    HB2  ASN  21           HB2      ASN  21  -9.093  -4.713  -0.149
  147    HB3  ASN  21           HB3      ASN  21  -9.416  -5.958  -1.348
  148   HD21  ASN  21          HD21      ASN  21 -10.704  -7.895  -0.388
  149   HD22  ASN  21          HD22      ASN  21 -12.114  -7.421   0.580
  150    HA   PHE   1           HA       PHE   1  17.144  -1.131  -4.430
  151    HD1  PHE   1           HD2      PHE   1  18.828   0.631  -5.313
  152    HD2  PHE   1           HD1      PHE   1  18.114  -1.960  -8.698
  153    HE1  PHE   1           HE2      PHE   1  21.211   0.822  -5.971
  154    HE2  PHE   1           HE1      PHE   1  20.502  -1.754  -9.348
  155    HZ   PHE   1           HZ       PHE   1  22.052  -0.362  -7.993
  156    H1   PHE   1           H1       PHE   1  18.191  -2.954  -5.588
  157    H2   PHE   1           H2       PHE   1  16.737  -3.524  -6.091
  158    H3   PHE   1           H3       PHE   1  17.098  -3.512  -4.498
  159    HB2  PHE   1           HB2      PHE   1  16.277  -1.281  -7.349
  160    HB3  PHE   1           HB3      PHE   1  16.446   0.180  -6.387
  161    H    VAL   2           H        VAL   2  15.131   0.243  -4.315
  162    HA   VAL   2           HA       VAL   2  12.558  -1.184  -4.618
  163    HB   VAL   2           HB       VAL   2  11.813  -0.429  -2.338
  164   HG11  VAL   2          HG11      VAL   2  12.319  -2.802  -2.849
  165   HG12  VAL   2          HG12      VAL   2  13.989  -2.554  -2.286
  166   HG13  VAL   2          HG13      VAL   2  12.627  -2.379  -1.159
  167   HG21  VAL   2          HG21      VAL   2  14.787  -0.210  -1.690
  168   HG22  VAL   2          HG22      VAL   2  13.669   1.162  -1.818
  169   HG23  VAL   2          HG23      VAL   2  13.430  -0.057  -0.560
  170    H    ASN   3           H        ASN   3  10.747   0.163  -4.640
  171    HA   ASN   3           HA       ASN   3   9.474   1.834  -5.058
  172    HB2  ASN   3           HB2      ASN   3  11.662   3.811  -4.355
  173    HB3  ASN   3           HB3      ASN   3   9.940   4.086  -4.585
  174   HD21  ASN   3          HD21      ASN   3  12.350   2.968  -2.310
  175   HD22  ASN   3          HD22      ASN   3  11.228   2.770  -0.976
  176    H    GLN   4           H        GLN   4   8.711   2.745  -6.854
  177    HA   GLN   4           HA       GLN   4  10.525   3.532  -9.080
  178    HB2  GLN   4           HB2      GLN   4   8.278   1.461  -9.170
  179    HB3  GLN   4           HB3      GLN   4   8.958   2.196 -10.614
  180    HG2  GLN   4           HG2      GLN   4  10.507   0.470  -8.635
  181    HG3  GLN   4           HG3      GLN   4   9.878  -0.044 -10.189
  182   HE21  GLN   4          HE21      GLN   4  12.575  -0.408  -9.726
  183   HE22  GLN   4          HE22      GLN   4  13.481   0.742 -10.701
  184    H    HIS   5           H        HIS   5   9.230   4.576 -10.863
  185    HA   HIS   5           HA       HIS   5   6.955   6.201  -9.849
  186    HD1  HIS   5           HD1      HIS   5   7.274   9.208 -10.285
  187    HD2  HIS   5           HD2      HIS   5  10.799   7.293 -11.551
  188    HE1  HIS   5           HE1      HIS   5   9.198  10.736  -9.610
  189    HB2  HIS   5           HB2      HIS   5   8.527   6.271 -12.461
  190    HB3  HIS   5           HB3      HIS   5   7.074   7.203 -12.160
  191    H    LEU   6           H        LEU   6   5.025   5.245  -9.987
  192    HA   LEU   6           HA       LEU   6   4.292   3.560 -12.345
  193    HG   LEU   6           HG       LEU   6   5.959   2.168 -10.125
  194    HB2  LEU   6           HB2      LEU   6   3.726   3.060  -9.400
  195    HB3  LEU   6           HB3      LEU   6   2.958   2.159 -10.715
  196   HD11  LEU   6          HD11      LEU   6   3.825   0.101  -9.452
  197   HD12  LEU   6          HD12      LEU   6   4.688   1.133  -8.291
  198   HD13  LEU   6          HD13      LEU   6   5.576  -0.095  -9.210
  199   HD21  LEU   6          HD21      LEU   6   4.265   0.410 -11.968
  200   HD22  LEU   6          HD22      LEU   6   5.993   0.186 -11.632
  201   HD23  LEU   6          HD23      LEU   6   5.446   1.626 -12.494
  202    H    CYS   7           H        CYS   7   2.481   4.280 -13.296
  203    HA   CYS   7           HA       CYS   7   0.804   6.343 -11.934
  204    HB2  CYS   7           HB2      CYS   7   1.995   6.339 -14.733
  205    HB3  CYS   7           HB3      CYS   7   0.893   7.554 -14.120
  206    H    GLY   8           H        GLY   8  -1.286   6.404 -12.450
  207    HA2  GLY   8           HA2      GLY   8  -3.383   5.870 -13.313
  208    HA3  GLY   8           HA3      GLY   8  -2.501   5.863 -14.829
  209    H    SER   9           H        SER   9  -2.980   4.170 -16.017
  210    HA   SER   9           HA       SER   9  -4.279   1.771 -15.170
  211    HG   SER   9           HG       SER   9  -2.699   2.637 -18.835
  212    HB2  SER   9           HB2      SER   9  -3.638   0.997 -17.482
  213    HB3  SER   9           HB3      SER   9  -4.518   2.529 -17.413
  214    H    HIS  10           H        HIS  10  -0.780   2.456 -15.758
  215    HA   HIS  10           HA       HIS  10   0.025  -0.285 -15.273
  216    HD1  HIS  10           HD1      HIS  10   0.338  -0.502 -17.536
  217    HD2  HIS  10           HD2      HIS  10   2.669   3.015 -17.525
  218    HE1  HIS  10           HE1      HIS  10   0.844   0.034 -19.974
  219    HB2  HIS  10           HB2      HIS  10   1.604   2.314 -15.186
  220    HB3  HIS  10           HB3      HIS  10   2.296   0.689 -15.156
  221    H    LEU  11           H        LEU  11  -0.497   2.466 -13.094
  222    HA   LEU  11           HA       LEU  11   0.550   1.103 -10.741
  223    HG   LEU  11           HG       LEU  11  -1.627   2.537  -8.774
  224    HB2  LEU  11           HB2      LEU  11   0.343   3.542 -10.858
  225    HB3  LEU  11           HB3      LEU  11  -1.398   3.428 -11.041
  226   HD11  LEU  11          HD11      LEU  11   0.472   1.307  -8.458
  227   HD12  LEU  11          HD12      LEU  11   0.321   2.559  -7.219
  228   HD13  LEU  11          HD13      LEU  11   1.405   2.821  -8.606
  229   HD21  LEU  11          HD21      LEU  11  -1.582   4.999  -9.203
  230   HD22  LEU  11          HD22      LEU  11   0.151   5.016  -8.829
  231   HD23  LEU  11          HD23      LEU  11  -1.025   4.583  -7.569
  232    H    VAL  12           H        VAL  12  -2.706   1.435 -12.167
  233    HA   VAL  12           HA       VAL  12  -4.078  -0.231 -10.290
  234    HB   VAL  12           HB       VAL  12  -4.644   0.409 -13.195
  235   HG11  VAL  12          HG11      VAL  12  -6.946  -0.467 -12.861
  236   HG12  VAL  12          HG12      VAL  12  -5.743  -1.755 -12.801
  237   HG13  VAL  12          HG13      VAL  12  -6.453  -1.133 -11.292
  238   HG21  VAL  12          HG21      VAL  12  -6.013   1.278 -10.618
  239   HG22  VAL  12          HG22      VAL  12  -4.860   2.260 -11.546
  240   HG23  VAL  12          HG23      VAL  12  -6.413   1.823 -12.264
  241    H    GLU  13           H        GLU  13  -2.344  -1.144 -13.310
  242    HA   GLU  13           HA       GLU  13  -2.789  -3.962 -13.142
  243    HB2  GLU  13           HB2      GLU  13  -0.601  -2.262 -14.386
  244    HB3  GLU  13           HB3      GLU  13  -0.611  -4.017 -14.485
  245    HG2  GLU  13           HG2      GLU  13  -2.775  -4.005 -15.618
  246    HG3  GLU  13           HG3      GLU  13  -2.878  -2.258 -15.509
  247    H    ALA  14           H        ALA  14  -0.053  -1.944 -11.847
  248    HA   ALA  14           HA       ALA  14   1.384  -4.111 -10.721
  249    HB1  ALA  14           HB1      ALA  14   2.546  -2.367  -9.446
  250    HB2  ALA  14           HB2      ALA  14   2.290  -1.835 -11.115
  251    HB3  ALA  14           HB3      ALA  14   1.262  -1.194  -9.814
  252    H    LEU  15           H        LEU  15  -1.134  -2.038  -9.188
  253    HA   LEU  15           HA       LEU  15  -1.204  -3.290  -6.630
  254    HG   LEU  15           HG       LEU  15  -1.346  -0.630  -7.073
  255    HB2  LEU  15           HB2      LEU  15  -3.264  -1.879  -8.372
  256    HB3  LEU  15           HB3      LEU  15  -3.702  -2.525  -6.793
  257   HD11  LEU  15          HD11      LEU  15  -3.292   0.501  -8.102
  258   HD12  LEU  15          HD12      LEU  15  -2.839   1.244  -6.558
  259   HD13  LEU  15          HD13      LEU  15  -4.256   0.172  -6.652
  260   HD21  LEU  15          HD21      LEU  15  -3.288  -1.188  -4.771
  261   HD22  LEU  15          HD22      LEU  15  -1.865  -0.136  -4.716
  262   HD23  LEU  15          HD23      LEU  15  -1.668  -1.886  -4.916
  263    H    TYR  16           H        TYR  16  -3.219  -4.080  -9.532
  264    HA   TYR  16           HA       TYR  16  -4.497  -6.344  -8.450
  265    HD1  TYR  16           HD1      TYR  16  -6.566  -7.435  -9.641
  266    HD2  TYR  16           HD2      TYR  16  -3.454  -7.551 -12.628
  267    HE1  TYR  16           HE1      TYR  16  -7.423  -9.621 -10.447
  268    HE2  TYR  16           HE2      TYR  16  -4.311  -9.734 -13.446
  269    HH   TYR  16           HH       TYR  16  -7.158 -11.350 -11.953
  270    HB2  TYR  16           HB2      TYR  16  -5.225  -5.307 -10.506
  271    HB3  TYR  16           HB3      TYR  16  -3.687  -5.635 -11.291
  272    H    LEU  17           H        LEU  17  -1.360  -6.198 -10.152
  273    HA   LEU  17           HA       LEU  17  -0.922  -9.064 -10.038
  274    HG   LEU  17           HG       LEU  17  -0.911  -7.269 -12.370
  275    HB2  LEU  17           HB2      LEU  17   0.905  -6.709 -10.645
  276    HB3  LEU  17           HB3      LEU  17   1.435  -8.381 -10.764
  277   HD11  LEU  17          HD11      LEU  17   1.196  -6.107 -12.961
  278   HD12  LEU  17          HD12      LEU  17   0.661  -7.170 -14.270
  279   HD13  LEU  17          HD13      LEU  17   1.995  -7.672 -13.210
  280   HD21  LEU  17          HD21      LEU  17   0.702  -9.840 -12.654
  281   HD22  LEU  17          HD22      LEU  17  -0.551  -9.273 -13.780
  282   HD23  LEU  17          HD23      LEU  17  -0.993  -9.716 -12.132
  283    H    VAL  18           H        VAL  18   0.094  -6.442  -7.912
  284    HA   VAL  18           HA       VAL  18   1.756  -8.113  -6.211
  285    HB   VAL  18           HB       VAL  18   0.414  -5.424  -5.797
  286   HG11  VAL  18          HG11      VAL  18   1.719  -5.173  -3.695
  287   HG12  VAL  18          HG12      VAL  18   0.457  -6.392  -3.548
  288   HG13  VAL  18          HG13      VAL  18   2.148  -6.900  -3.771
  289   HG21  VAL  18          HG21      VAL  18   2.457  -5.573  -7.273
  290   HG22  VAL  18          HG22      VAL  18   2.748  -4.619  -5.812
  291   HG23  VAL  18          HG23      VAL  18   3.348  -6.282  -5.923
  292    H    CYS  19           H        CYS  19  -1.683  -7.117  -6.088
  293    HA   CYS  19           HA       CYS  19  -2.153  -8.520  -3.600
  294    HB2  CYS  19           HB2      CYS  19  -4.057  -7.273  -5.613
  295    HB3  CYS  19           HB3      CYS  19  -4.514  -7.849  -4.020
  296    H    GLY  20           H        GLY  20  -2.660  -9.419  -6.998
  297    HA2  GLY  20           HA2      GLY  20  -2.841 -11.517  -7.947
  298    HA3  GLY  20           HA3      GLY  20  -2.446 -12.210  -6.366
  299    H    GLU  21           H        GLU  21  -3.983 -13.375  -5.412
  300    HA   GLU  21           HA       GLU  21  -6.673 -13.644  -6.452
  301    HB2  GLU  21           HB2      GLU  21  -5.324 -15.452  -5.386
  302    HB3  GLU  21           HB3      GLU  21  -5.461 -14.617  -3.828
  303    HG2  GLU  21           HG2      GLU  21  -7.899 -14.938  -3.839
  304    HG3  GLU  21           HG3      GLU  21  -7.833 -15.612  -5.474
  305    H    ARG  22           H        ARG  22  -5.184 -11.620  -3.978
  306    HA   ARG  22           HA       ARG  22  -7.623 -10.858  -2.572
  307    HE   ARG  22           HE       ARG  22  -2.896 -10.632  -2.247
  308    HB2  ARG  22           HB2      ARG  22  -4.905  -9.498  -2.696
  309    HB3  ARG  22           HB3      ARG  22  -6.182  -9.127  -1.562
  310    HG2  ARG  22           HG2      ARG  22  -5.968 -11.254  -0.449
  311    HG3  ARG  22           HG3      ARG  22  -4.902 -11.903  -1.700
  312    HD2  ARG  22           HD2      ARG  22  -4.175  -9.523   0.048
  313    HD3  ARG  22           HD3      ARG  22  -3.733 -11.207   0.399
  314   HH11  ARG  22          HH11      ARG  22  -1.909  -9.788   1.085
  315   HH12  ARG  22          HH12      ARG  22  -0.249  -9.545   0.553
  316   HH21  ARG  22          HH21      ARG  22  -0.665 -10.248  -2.725
  317   HH22  ARG  22          HH22      ARG  22   0.376  -9.757  -1.397
  318    H    GLY  23           H        GLY  23  -8.597  -8.758  -2.655
  319    HA2  GLY  23           HA2      GLY  23  -8.699  -7.406  -5.299
  320    HA3  GLY  23           HA3      GLY  23  -9.636  -6.995  -3.842
  321    H    PHE  24           H        PHE  24  -8.830  -4.805  -4.856
  322    HA   PHE  24           HA       PHE  24  -6.663  -3.869  -3.123
  323    HD1  PHE  24           HD1      PHE  24  -6.763  -5.561  -7.000
  324    HD2  PHE  24           HD2      PHE  24  -6.272  -1.309  -6.479
  325    HE1  PHE  24           HE1      PHE  24  -7.535  -5.181  -9.331
  326    HE2  PHE  24           HE2      PHE  24  -7.019  -0.935  -8.816
  327    HZ   PHE  24           HZ       PHE  24  -7.651  -2.876 -10.244
  328    HB2  PHE  24           HB2      PHE  24  -5.318  -2.894  -4.865
  329    HB3  PHE  24           HB3      PHE  24  -5.450  -4.627  -5.125
  330    H    PHE  25           H        PHE  25  -6.640  -1.746  -2.673
  331    HA   PHE  25           HA       PHE  25  -8.939  -0.060  -3.463
  332    HD1  PHE  25           HD1      PHE  25 -10.235   1.501  -1.509
  333    HD2  PHE  25           HD2      PHE  25  -6.044   2.529  -1.555
  334    HE1  PHE  25           HE1      PHE  25 -10.812   3.894  -1.199
  335    HE2  PHE  25           HE2      PHE  25  -6.624   4.915  -1.242
  336    HZ   PHE  25           HZ       PHE  25  -9.011   5.608  -1.051
  337    HB2  PHE  25           HB2      PHE  25  -8.398  -0.216  -1.093
  338    HB3  PHE  25           HB3      PHE  25  -6.726   0.221  -1.394
  339    H    TYR  26           H        TYR  26  -8.711   1.882  -4.484
  340    HA   TYR  26           HA       TYR  26  -6.165   2.979  -5.357
  341    HD1  TYR  26           HD1      TYR  26  -4.523   2.739  -7.730
  342    HD2  TYR  26           HD2      TYR  26  -8.616   3.480  -8.866
  343    HE1  TYR  26           HE1      TYR  26  -3.743   4.257  -9.539
  344    HE2  TYR  26           HE2      TYR  26  -7.836   5.025 -10.656
  345    HH   TYR  26           HH       TYR  26  -4.353   5.652 -11.240
  346    HB2  TYR  26           HB2      TYR  26  -6.414   1.214  -7.029
  347    HB3  TYR  26           HB3      TYR  26  -8.075   1.685  -7.339
  348    H    THR  27           H        THR  27  -6.310   5.127  -5.855
  349    HA   THR  27           HA       THR  27  -8.660   6.437  -6.798
  350    HB   THR  27           HB       THR  27  -9.406   6.109  -4.471
  351    HG1  THR  27           HG1      THR  27 -10.039   8.274  -4.279
  352   HG21  THR  27          HG21      THR  27  -8.477   7.373  -2.649
  353   HG22  THR  27          HG22      THR  27  -7.275   8.138  -3.693
  354   HG23  THR  27          HG23      THR  27  -7.165   6.398  -3.329
  355    HA   PRO  28           HA       PRO  28  -5.302   9.353  -7.672
  356    HB2  PRO  28           HB2      PRO  28  -6.606  11.148  -9.231
  357    HB3  PRO  28           HB3      PRO  28  -6.322   9.476  -9.794
  358    HG2  PRO  28           HG2      PRO  28  -8.827  10.598  -8.491
  359    HG3  PRO  28           HG3      PRO  28  -8.704   9.648 -10.009
  360    HD2  PRO  28           HD2      PRO  28  -9.298   8.511  -7.592
  361    HD3  PRO  28           HD3      PRO  28  -8.342   7.646  -8.831
  362    H    LYS  29           H        LYS  29  -4.959  11.792  -7.465
  363    HA   LYS  29           HA       LYS  29  -5.727  12.716  -4.865
  364    HB2  LYS  29           HB2      LYS  29  -4.542  14.744  -5.430
  365    HB3  LYS  29           HB3      LYS  29  -3.606  13.328  -5.905
  366    HG2  LYS  29           HG2      LYS  29  -4.320  13.638  -8.272
  367    HG3  LYS  29           HG3      LYS  29  -5.247  15.074  -7.813
  368    HD2  LYS  29           HD2      LYS  29  -2.238  14.759  -7.472
  369    HD3  LYS  29           HD3      LYS  29  -3.031  15.579  -8.824
  370    HE2  LYS  29           HE2      LYS  29  -4.044  17.217  -7.269
  371    HE3  LYS  29           HE3      LYS  29  -3.283  16.397  -5.896
  372    HZ1  LYS  29           HZ1      LYS  29  -1.795  17.682  -8.112
  373    HZ2  LYS  29           HZ2      LYS  29  -1.122  16.921  -6.819
  374    HZ3  LYS  29           HZ3      LYS  29  -1.976  18.302  -6.608
  375    H    THR  30           H        THR  30  -6.983  14.473  -4.224
  376    HA   THR  30           HA       THR  30  -8.871  15.894  -5.860
  377    HB   THR  30           HB       THR  30  -9.938  13.721  -6.022
  378    HG1  THR  30           HG1      THR  30 -11.946  14.428  -5.346
  379   HG21  THR  30          HG21      THR  30  -9.229  12.673  -3.887
  380   HG22  THR  30          HG22      THR  30 -10.972  12.599  -4.129
  381   HG23  THR  30          HG23      THR  30 -10.293  13.780  -2.998
  Start of MODEL   42
    1    H1   GLY   1           H1       GLY   1  -3.960  10.911  -2.864
    2    H2   GLY   1           H2       GLY   1  -2.881  10.597  -1.670
    3    H3   GLY   1           H3       GLY   1  -4.497  10.572  -1.350
    4    HA2  GLY   1           HA2      GLY   1  -3.677   8.312  -1.496
    5    HA3  GLY   1           HA3      GLY   1  -4.812   8.681  -2.811
    6    H    ILE   2           H        ILE   2  -3.342   6.626  -3.391
    7    HA   ILE   2           HA       ILE   2  -0.609   7.286  -4.168
    8    HB   ILE   2           HB       ILE   2  -0.410   4.962  -4.878
    9   HG12  ILE   2          HG12      ILE   2  -3.292   4.564  -3.979
   10   HG13  ILE   2          HG13      ILE   2  -2.790   4.625  -5.665
   11   HG21  ILE   2          HG21      ILE   2  -1.719   5.314  -2.159
   12   HG22  ILE   2          HG22      ILE   2  -0.523   4.078  -2.620
   13   HG23  ILE   2          HG23      ILE   2  -0.050   5.777  -2.552
   14   HD11  ILE   2          HD11      ILE   2  -3.012   2.311  -4.933
   15   HD12  ILE   2          HD12      ILE   2  -1.309   2.656  -5.279
   16   HD13  ILE   2          HD13      ILE   2  -1.890   2.570  -3.603
   17    H    VAL   3           H        VAL   3  -3.535   7.292  -6.057
   18    HA   VAL   3           HA       VAL   3  -2.328   6.901  -8.619
   19    HB   VAL   3           HB       VAL   3  -4.737   8.568  -7.820
   20   HG11  VAL   3          HG11      VAL   3  -4.028   9.511  -9.954
   21   HG12  VAL   3          HG12      VAL   3  -3.832   7.884 -10.653
   22   HG13  VAL   3          HG13      VAL   3  -5.444   8.501 -10.216
   23   HG21  VAL   3          HG21      VAL   3  -4.842   6.044  -7.553
   24   HG22  VAL   3          HG22      VAL   3  -6.024   6.681  -8.704
   25   HG23  VAL   3          HG23      VAL   3  -4.545   5.891  -9.287
   26    H    GLU   4           H        GLU   4  -2.520   9.863  -6.649
   27    HA   GLU   4           HA       GLU   4  -0.911  11.395  -8.600
   28    HB2  GLU   4           HB2      GLU   4  -1.820  12.005  -5.763
   29    HB3  GLU   4           HB3      GLU   4  -0.817  13.080  -6.732
   30    HG2  GLU   4           HG2      GLU   4  -3.622  12.157  -7.480
   31    HG3  GLU   4           HG3      GLU   4  -3.191  13.722  -6.791
   32    H    GLN   5           H        GLN   5  -0.375  10.082  -5.247
   33    HA   GLN   5           HA       GLN   5   2.247  11.044  -5.095
   34    HB2  GLN   5           HB2      GLN   5   0.772  10.295  -3.207
   35    HB3  GLN   5           HB3      GLN   5   1.116   8.612  -3.646
   36    HG2  GLN   5           HG2      GLN   5   3.528   8.981  -3.195
   37    HG3  GLN   5           HG3      GLN   5   3.207  10.678  -2.827
   38   HE21  GLN   5          HE21      GLN   5   2.494   7.303  -1.723
   39   HE22  GLN   5          HE22      GLN   5   2.199   7.785  -0.060
   40    H    CYS   6           H        CYS   6   1.280   7.771  -6.312
   41    HA   CYS   6           HA       CYS   6   4.049   6.862  -6.559
   42    HB2  CYS   6           HB2      CYS   6   1.372   5.933  -7.660
   43    HB3  CYS   6           HB3      CYS   6   2.878   5.223  -8.173
   44    H    CYS   7           H        CYS   7   2.029   8.946  -8.454
   45    HA   CYS   7           HA       CYS   7   3.605   8.500 -10.930
   46    HB2  CYS   7           HB2      CYS   7   1.099   8.750 -10.878
   47    HB3  CYS   7           HB3      CYS   7   1.327  10.436 -10.434
   48    H    THR   8           H        THR   8   3.057  11.090  -8.498
   49    HA   THR   8           HA       THR   8   5.012  12.895  -9.722
   50    HB   THR   8           HB       THR   8   4.538  14.337  -7.787
   51    HG1  THR   8           HG1      THR   8   3.002  13.648  -6.279
   52   HG21  THR   8          HG21      THR   8   3.025  14.390  -9.765
   53   HG22  THR   8          HG22      THR   8   2.196  14.795  -8.254
   54   HG23  THR   8          HG23      THR   8   1.965  13.197  -8.980
   55    H    SER   9           H        SER   9   5.275  10.336  -7.356
   56    HA   SER   9           HA       SER   9   8.145  10.962  -7.017
   57    HG   SER   9           HG       SER   9   5.319  10.165  -5.006
   58    HB2  SER   9           HB2      SER   9   8.045  10.876  -4.633
   59    HB3  SER   9           HB3      SER   9   6.883  12.085  -5.164
   60    H    ILE  10           H        ILE  10   9.182   9.132  -5.675
   61    HA   ILE  10           HA       ILE  10   8.503   6.561  -6.931
   62    HB   ILE  10           HB       ILE  10  10.653   7.356  -4.926
   63   HG12  ILE  10          HG12      ILE  10  10.751   6.613  -7.890
   64   HG13  ILE  10          HG13      ILE  10  10.961   8.237  -7.217
   65   HG21  ILE  10          HG21      ILE  10  10.020   4.989  -4.539
   66   HG22  ILE  10          HG22      ILE  10  10.228   4.654  -6.273
   67   HG23  ILE  10          HG23      ILE  10  11.614   5.097  -5.255
   68   HD11  ILE  10          HD11      ILE  10  12.868   5.886  -6.940
   69   HD12  ILE  10          HD12      ILE  10  13.128   7.422  -7.777
   70   HD13  ILE  10          HD13      ILE  10  13.015   7.399  -6.005
   71    H    CYS  11           H        CYS  11   7.237   5.033  -6.148
   72    HA   CYS  11           HA       CYS  11   6.729   4.884  -3.215
   73    HB2  CYS  11           HB2      CYS  11   4.462   4.262  -3.553
   74    HB3  CYS  11           HB3      CYS  11   4.737   5.760  -4.424
   75    H    SER  12           H        SER  12   6.152   2.726  -2.472
   76    HA   SER  12           HA       SER  12   7.930   0.708  -3.799
   77    HG   SER  12           HG       SER  12   9.071   1.856  -0.529
   78    HB2  SER  12           HB2      SER  12   7.073   0.920  -0.893
   79    HB3  SER  12           HB3      SER  12   8.296  -0.172  -1.572
   80    H    LEU  13           H        LEU  13   7.296  -1.565  -3.780
   81    HA   LEU  13           HA       LEU  13   4.552  -2.050  -4.403
   82    HG   LEU  13           HG       LEU  13   7.594  -2.945  -5.510
   83    HB2  LEU  13           HB2      LEU  13   6.719  -4.016  -3.545
   84    HB3  LEU  13           HB3      LEU  13   5.209  -4.419  -4.330
   85   HD11  LEU  13          HD11      LEU  13   7.713  -5.403  -5.432
   86   HD12  LEU  13          HD12      LEU  13   7.598  -4.823  -7.101
   87   HD13  LEU  13          HD13      LEU  13   6.169  -5.518  -6.309
   88   HD21  LEU  13          HD21      LEU  13   4.895  -3.308  -6.871
   89   HD22  LEU  13          HD22      LEU  13   6.390  -2.761  -7.649
   90   HD23  LEU  13          HD23      LEU  13   5.637  -1.763  -6.404
   91    H    TYR  14           H        TYR  14   6.298  -2.362  -1.353
   92    HA   TYR  14           HA       TYR  14   4.218  -3.561   0.166
   93    HD1  TYR  14           HD1      TYR  14   5.370  -4.942   2.331
   94    HD2  TYR  14           HD2      TYR  14   8.274  -2.972  -0.179
   95    HE1  TYR  14           HE1      TYR  14   6.735  -7.021   2.280
   96    HE2  TYR  14           HE2      TYR  14   9.631  -5.058  -0.245
   97    HH   TYR  14           HH       TYR  14   9.820  -7.245   0.446
   98    HB2  TYR  14           HB2      TYR  14   6.505  -1.689   0.899
   99    HB3  TYR  14           HB3      TYR  14   5.451  -2.436   2.087
  100    H    GLN  15           H        GLN  15   4.513  -0.295  -1.009
  101    HA   GLN  15           HA       GLN  15   2.384   0.759   0.795
  102    HB2  GLN  15           HB2      GLN  15   4.041   2.142  -1.362
  103    HB3  GLN  15           HB3      GLN  15   2.837   2.912  -0.353
  104    HG2  GLN  15           HG2      GLN  15   5.403   1.620   0.674
  105    HG3  GLN  15           HG3      GLN  15   5.153   3.342   0.429
  106   HE21  GLN  15          HE21      GLN  15   5.969   2.478   2.935
  107   HE22  GLN  15          HE22      GLN  15   4.632   2.663   4.059
  108    H    LEU  16           H        LEU  16   2.867  -0.341  -2.569
  109    HA   LEU  16           HA       LEU  16   0.164   0.244  -3.431
  110    HG   LEU  16           HG       LEU  16   0.751   0.372  -5.729
  111    HB2  LEU  16           HB2      LEU  16   2.290  -1.780  -4.232
  112    HB3  LEU  16           HB3      LEU  16   0.649  -1.952  -4.799
  113   HD11  LEU  16          HD11      LEU  16   2.958   1.341  -6.227
  114   HD12  LEU  16          HD12      LEU  16   3.746   0.112  -5.225
  115   HD13  LEU  16          HD13      LEU  16   2.664   1.318  -4.482
  116   HD21  LEU  16          HD21      LEU  16   2.785  -1.653  -6.770
  117   HD22  LEU  16          HD22      LEU  16   2.033  -0.351  -7.711
  118   HD23  LEU  16          HD23      LEU  16   1.035  -1.672  -7.095
  119    H    GLU  17           H        GLU  17   1.599  -2.631  -1.854
  120    HA   GLU  17           HA       GLU  17  -0.741  -4.164  -1.581
  121    HB2  GLU  17           HB2      GLU  17   1.653  -4.873  -1.253
  122    HB3  GLU  17           HB3      GLU  17   1.633  -4.080   0.329
  123    HG2  GLU  17           HG2      GLU  17  -0.174  -5.620   1.062
  124    HG3  GLU  17           HG3      GLU  17  -0.200  -6.358  -0.544
  125    H    ASN  18           H        ASN  18   0.289  -1.435   0.426
  126    HA   ASN  18           HA       ASN  18  -1.149  -1.859   2.787
  127    HB2  ASN  18           HB2      ASN  18   0.512  -0.085   2.432
  128    HB3  ASN  18           HB3      ASN  18  -0.559   0.716   1.281
  129   HD21  ASN  18          HD21      ASN  18  -2.024   2.231   2.046
  130   HD22  ASN  18          HD22      ASN  18  -2.339   2.477   3.754
  131    H    TYR  19           H        TYR  19  -2.433  -0.807  -0.347
  132    HA   TYR  19           HA       TYR  19  -5.076  -0.123   0.794
  133    HD1  TYR  19           HD1      TYR  19  -5.789   2.586   0.138
  134    HD2  TYR  19           HD2      TYR  19  -1.879   1.412  -1.226
  135    HE1  TYR  19           HE1      TYR  19  -4.834   4.685   1.089
  136    HE2  TYR  19           HE2      TYR  19  -0.906   3.476  -0.248
  137    HH   TYR  19           HH       TYR  19  -1.328   5.441   0.886
  138    HB2  TYR  19           HB2      TYR  19  -3.857   0.197  -1.968
  139    HB3  TYR  19           HB3      TYR  19  -5.468   0.722  -1.502
  140    H    CYS  20           H        CYS  20  -3.695  -2.964  -0.155
  141    HA   CYS  20           HA       CYS  20  -6.053  -4.095  -1.550
  142    HB2  CYS  20           HB2      CYS  20  -3.386  -5.287  -0.736
  143    HB3  CYS  20           HB3      CYS  20  -4.659  -6.162  -1.589
  144    H    ASN  21           H        ASN  21  -6.995  -6.090  -0.860
  145    HA   ASN  21           HA       ASN  21  -7.946  -5.968   1.906
  146    HB2  ASN  21           HB2      ASN  21  -9.481  -6.238  -0.006
  147    HB3  ASN  21           HB3      ASN  21  -8.676  -7.735  -0.474
  148   HD21  ASN  21          HD21      ASN  21  -8.602  -9.414   1.366
  149   HD22  ASN  21          HD22      ASN  21 -10.147  -9.654   2.211
  150    HA   PHE   1           HA       PHE   1  12.015  -5.194  -2.452
  151    HD1  PHE   1           HD2      PHE   1  11.536  -3.608  -0.116
  152    HD2  PHE   1           HD1      PHE   1  14.308  -1.579  -2.734
  153    HE1  PHE   1           HE2      PHE   1  10.384  -1.454   0.324
  154    HE2  PHE   1           HE1      PHE   1  13.161   0.565  -2.277
  155    HZ   PHE   1           HZ       PHE   1  11.200   0.638  -0.755
  156    H1   PHE   1           H1       PHE   1  13.269  -6.805  -3.674
  157    H2   PHE   1           H2       PHE   1  13.853  -6.711  -2.149
  158    H3   PHE   1           H3       PHE   1  14.678  -6.019  -3.386
  159    HB2  PHE   1           HB2      PHE   1  13.754  -4.634  -0.810
  160    HB3  PHE   1           HB3      PHE   1  14.730  -3.862  -2.052
  161    H    VAL   2           H        VAL   2  11.037  -3.450  -3.616
  162    HA   VAL   2           HA       VAL   2  12.342  -2.395  -6.047
  163    HB   VAL   2           HB       VAL   2   9.725  -3.943  -6.096
  164   HG11  VAL   2          HG11      VAL   2  10.998  -2.263  -8.295
  165   HG12  VAL   2          HG12      VAL   2   9.650  -3.395  -8.543
  166   HG13  VAL   2          HG13      VAL   2   9.420  -1.990  -7.509
  167   HG21  VAL   2          HG21      VAL   2  11.615  -5.474  -6.311
  168   HG22  VAL   2          HG22      VAL   2  10.815  -5.309  -7.869
  169   HG23  VAL   2          HG23      VAL   2  12.339  -4.447  -7.577
  170    H    ASN   3           H        ASN   3  11.777  -0.363  -6.407
  171    HA   ASN   3           HA       ASN   3   9.181   0.691  -5.666
  172    HB2  ASN   3           HB2      ASN   3   9.978   2.586  -4.400
  173    HB3  ASN   3           HB3      ASN   3  10.421   1.091  -3.606
  174   HD21  ASN   3          HD21      ASN   3  11.630   3.328  -2.753
  175   HD22  ASN   3          HD22      ASN   3  13.298   3.380  -3.296
  176    H    GLN   4           H        GLN   4   8.549   2.516  -6.857
  177    HA   GLN   4           HA       GLN   4  10.179   3.214  -9.245
  178    HB2  GLN   4           HB2      GLN   4   7.546   1.650  -9.348
  179    HB3  GLN   4           HB3      GLN   4   8.428   2.274 -10.740
  180    HG2  GLN   4           HG2      GLN   4  10.340   0.732 -10.158
  181    HG3  GLN   4           HG3      GLN   4   9.330   0.042  -8.873
  182   HE21  GLN   4          HE21      GLN   4   9.536   0.483 -12.456
  183   HE22  GLN   4          HE22      GLN   4   8.469  -0.868 -12.796
  184    H    HIS   5           H        HIS   5   8.975   4.675 -10.737
  185    HA   HIS   5           HA       HIS   5   6.722   6.213  -9.526
  186    HD1  HIS   5           HD1      HIS   5   6.749   9.655 -10.706
  187    HD2  HIS   5           HD2      HIS   5  10.278   7.463 -10.033
  188    HE1  HIS   5           HE1      HIS   5   8.371  11.236  -9.553
  189    HB2  HIS   5           HB2      HIS   5   8.411   6.611 -12.023
  190    HB3  HIS   5           HB3      HIS   5   6.830   7.346 -11.854
  191    H    LEU   6           H        LEU   6   4.684   5.763 -10.176
  192    HA   LEU   6           HA       LEU   6   4.068   3.991 -12.479
  193    HG   LEU   6           HG       LEU   6   5.507   2.390 -10.351
  194    HB2  LEU   6           HB2      LEU   6   3.385   3.501  -9.548
  195    HB3  LEU   6           HB3      LEU   6   2.524   2.714 -10.872
  196   HD11  LEU   6          HD11      LEU   6   3.163   0.621  -9.574
  197   HD12  LEU   6          HD12      LEU   6   4.231   1.524  -8.476
  198   HD13  LEU   6          HD13      LEU   6   4.882   0.179  -9.423
  199   HD21  LEU   6          HD21      LEU   6   4.857   1.917 -12.710
  200   HD22  LEU   6          HD22      LEU   6   3.578   0.831 -12.133
  201   HD23  LEU   6          HD23      LEU   6   5.284   0.430 -11.854
  202    H    CYS   7           H        CYS   7   2.410   4.845 -13.571
  203    HA   CYS   7           HA       CYS   7   0.488   6.701 -12.216
  204    HB2  CYS   7           HB2      CYS   7   1.571   6.844 -15.045
  205    HB3  CYS   7           HB3      CYS   7   0.461   7.988 -14.305
  206    H    GLY   8           H        GLY   8  -1.600   6.357 -12.629
  207    HA2  GLY   8           HA2      GLY   8  -3.595   5.451 -13.417
  208    HA3  GLY   8           HA3      GLY   8  -2.824   5.712 -14.980
  209    H    SER   9           H        SER   9  -2.810   4.007 -16.276
  210    HA   SER   9           HA       SER   9  -3.760   1.429 -15.589
  211    HG   SER   9           HG       SER   9  -4.079   2.545 -18.988
  212    HB2  SER   9           HB2      SER   9  -2.015   2.207 -17.960
  213    HB3  SER   9           HB3      SER   9  -3.094   0.804 -17.835
  214    H    HIS  10           H        HIS  10  -0.405   2.669 -15.640
  215    HA   HIS  10           HA       HIS  10   0.841   0.036 -15.398
  216    HD1  HIS  10           HD1      HIS  10   2.988   0.260 -17.460
  217    HD2  HIS  10           HD2      HIS  10   1.390   4.133 -17.004
  218    HE1  HIS  10           HE1      HIS  10   2.979   1.307 -19.780
  219    HB2  HIS  10           HB2      HIS  10   1.878   2.830 -14.771
  220    HB3  HIS  10           HB3      HIS  10   2.858   1.371 -14.878
  221    H    LEU  11           H        LEU  11  -0.230   2.564 -13.094
  222    HA   LEU  11           HA       LEU  11   0.699   1.173 -10.732
  223    HG   LEU  11           HG       LEU  11  -1.677   2.224  -8.890
  224    HB2  LEU  11           HB2      LEU  11   0.247   3.614 -10.805
  225    HB3  LEU  11           HB3      LEU  11  -1.458   3.301 -11.112
  226   HD11  LEU  11          HD11      LEU  11   1.227   3.067  -8.496
  227   HD12  LEU  11          HD12      LEU  11   0.609   1.398  -8.512
  228   HD13  LEU  11          HD13      LEU  11   0.141   2.498  -7.211
  229   HD21  LEU  11          HD21      LEU  11  -0.476   5.020  -8.857
  230   HD22  LEU  11          HD22      LEU  11  -1.457   4.304  -7.567
  231   HD23  LEU  11          HD23      LEU  11  -2.176   4.597  -9.155
  232    H    VAL  12           H        VAL  12  -2.443   1.282 -12.435
  233    HA   VAL  12           HA       VAL  12  -3.832  -0.541 -10.741
  234    HB   VAL  12           HB       VAL  12  -4.154   0.149 -13.671
  235   HG11  VAL  12          HG11      VAL  12  -5.106  -2.100 -13.503
  236   HG12  VAL  12          HG12      VAL  12  -5.985  -1.647 -12.022
  237   HG13  VAL  12          HG13      VAL  12  -6.411  -0.920 -13.587
  238   HG21  VAL  12          HG21      VAL  12  -6.129   1.391 -12.869
  239   HG22  VAL  12          HG22      VAL  12  -5.852   0.792 -11.220
  240   HG23  VAL  12          HG23      VAL  12  -4.699   1.911 -11.962
  241    H    GLU  13           H        GLU  13  -1.821  -1.244 -13.630
  242    HA   GLU  13           HA       GLU  13  -2.108  -4.085 -13.549
  243    HB2  GLU  13           HB2      GLU  13  -1.230  -2.754 -15.454
  244    HB3  GLU  13           HB3      GLU  13   0.249  -2.427 -14.551
  245    HG2  GLU  13           HG2      GLU  13   0.792  -4.827 -14.513
  246    HG3  GLU  13           HG3      GLU  13  -0.763  -5.216 -15.253
  247    H    ALA  14           H        ALA  14   0.396  -1.944 -12.076
  248    HA   ALA  14           HA       ALA  14   1.907  -4.015 -10.833
  249    HB1  ALA  14           HB1      ALA  14   2.702  -1.710 -11.158
  250    HB2  ALA  14           HB2      ALA  14   1.498  -1.114  -9.996
  251    HB3  ALA  14           HB3      ALA  14   2.815  -2.189  -9.454
  252    H    LEU  15           H        LEU  15  -0.853  -2.114  -9.469
  253    HA   LEU  15           HA       LEU  15  -0.951  -3.361  -6.906
  254    HG   LEU  15           HG       LEU  15  -1.260  -0.672  -7.415
  255    HB2  LEU  15           HB2      LEU  15  -3.035  -2.101  -8.737
  256    HB3  LEU  15           HB3      LEU  15  -3.468  -2.744  -7.164
  257   HD11  LEU  15          HD11      LEU  15  -4.240  -0.140  -7.025
  258   HD12  LEU  15          HD12      LEU  15  -3.297   0.258  -8.481
  259   HD13  LEU  15          HD13      LEU  15  -2.928   1.063  -6.950
  260   HD21  LEU  15          HD21      LEU  15  -1.543  -1.974  -5.259
  261   HD22  LEU  15          HD22      LEU  15  -3.189  -1.338  -5.137
  262   HD23  LEU  15          HD23      LEU  15  -1.809  -0.227  -5.078
  263    H    TYR  16           H        TYR  16  -2.658  -4.309  -9.932
  264    HA   TYR  16           HA       TYR  16  -3.884  -6.659  -8.952
  265    HD1  TYR  16           HD2      TYR  16  -5.667  -8.015 -10.394
  266    HD2  TYR  16           HD1      TYR  16  -2.280  -7.626 -13.037
  267    HE1  TYR  16           HE2      TYR  16  -6.179 -10.247 -11.373
  268    HE2  TYR  16           HE1      TYR  16  -2.777  -9.860 -14.009
  269    HH   TYR  16           HH       TYR  16  -4.176 -11.689 -13.984
  270    HB2  TYR  16           HB2      TYR  16  -4.525  -5.703 -11.048
  271    HB3  TYR  16           HB3      TYR  16  -2.899  -5.813 -11.692
  272    H    LEU  17           H        LEU  17  -0.596  -6.257 -10.281
  273    HA   LEU  17           HA       LEU  17   0.018  -9.108 -10.061
  274    HG   LEU  17           HG       LEU  17   0.133  -7.369 -12.485
  275    HB2  LEU  17           HB2      LEU  17   1.720  -6.643 -10.630
  276    HB3  LEU  17           HB3      LEU  17   2.366  -8.282 -10.620
  277   HD11  LEU  17          HD11      LEU  17   2.245  -6.182 -12.947
  278   HD12  LEU  17          HD12      LEU  17   1.866  -7.343 -14.226
  279   HD13  LEU  17          HD13      LEU  17   3.111  -7.733 -13.021
  280   HD21  LEU  17          HD21      LEU  17   0.687  -9.437 -13.738
  281   HD22  LEU  17          HD22      LEU  17   0.070  -9.804 -12.131
  282   HD23  LEU  17          HD23      LEU  17   1.817  -9.912 -12.451
  283    H    VAL  18           H        VAL  18   0.701  -6.315  -8.011
  284    HA   VAL  18           HA       VAL  18   2.414  -7.690  -6.143
  285    HB   VAL  18           HB       VAL  18   0.698  -5.198  -5.910
  286   HG11  VAL  18          HG11      VAL  18   0.835  -6.060  -3.606
  287   HG12  VAL  18          HG12      VAL  18   2.593  -6.270  -3.770
  288   HG13  VAL  18          HG13      VAL  18   1.868  -4.648  -3.799
  289   HG21  VAL  18          HG21      VAL  18   2.819  -5.136  -7.317
  290   HG22  VAL  18          HG22      VAL  18   2.863  -4.048  -5.921
  291   HG23  VAL  18          HG23      VAL  18   3.729  -5.596  -5.879
  292    H    CYS  19           H        CYS  19  -1.127  -7.133  -6.211
  293    HA   CYS  19           HA       CYS  19  -1.401  -8.598  -3.648
  294    HB2  CYS  19           HB2      CYS  19  -3.375  -6.941  -5.256
  295    HB3  CYS  19           HB3      CYS  19  -3.703  -7.666  -3.684
  296    H    GLY  20           H        GLY  20  -2.111  -9.233  -7.045
  297    HA2  GLY  20           HA2      GLY  20  -2.602 -11.236  -8.083
  298    HA3  GLY  20           HA3      GLY  20  -2.070 -12.009  -6.587
  299    H    GLU  21           H        GLU  21  -3.516 -13.131  -5.466
  300    HA   GLU  21           HA       GLU  21  -6.284 -13.411  -6.292
  301    HB2  GLU  21           HB2      GLU  21  -4.784 -14.436  -3.850
  302    HB3  GLU  21           HB3      GLU  21  -6.418 -14.909  -4.292
  303    HG2  GLU  21           HG2      GLU  21  -3.923 -15.416  -5.980
  304    HG3  GLU  21           HG3      GLU  21  -4.716 -16.586  -4.940
  305    H    ARG  22           H        ARG  22  -4.660 -11.366  -3.923
  306    HA   ARG  22           HA       ARG  22  -7.115 -10.664  -2.459
  307    HE   ARG  22           HE       ARG  22  -2.634 -11.670   0.983
  308    HB2  ARG  22           HB2      ARG  22  -4.339  -9.408  -2.470
  309    HB3  ARG  22           HB3      ARG  22  -5.684  -8.898  -1.452
  310    HG2  ARG  22           HG2      ARG  22  -5.747 -11.137  -0.397
  311    HG3  ARG  22           HG3      ARG  22  -4.381 -11.656  -1.402
  312    HD2  ARG  22           HD2      ARG  22  -2.959  -9.893  -0.447
  313    HD3  ARG  22           HD3      ARG  22  -4.290  -9.302   0.539
  314   HH11  ARG  22          HH21      ARG  22  -5.685 -10.096   1.931
  315   HH12  ARG  22          HH22      ARG  22  -5.780 -11.014   3.408
  316   HH21  ARG  22          HH11      ARG  22  -2.833 -12.793   2.908
  317   HH22  ARG  22          HH12      ARG  22  -4.201 -12.522   3.950
  318    H    GLY  23           H        GLY  23  -8.312  -8.882  -2.732
  319    HA2  GLY  23           HA2      GLY  23  -8.379  -7.502  -5.309
  320    HA3  GLY  23           HA3      GLY  23  -9.456  -7.221  -3.925
  321    H    PHE  24           H        PHE  24  -8.203  -5.247  -5.627
  322    HA   PHE  24           HA       PHE  24  -6.472  -3.779  -3.688
  323    HD1  PHE  24           HD2      PHE  24  -5.982  -1.759  -7.293
  324    HD2  PHE  24           HD1      PHE  24  -6.243  -6.062  -7.343
  325    HE1  PHE  24           HE2      PHE  24  -6.561  -1.698  -9.702
  326    HE2  PHE  24           HE1      PHE  24  -6.851  -5.993  -9.751
  327    HZ   PHE  24           HZ       PHE  24  -6.993  -3.816 -10.939
  328    HB2  PHE  24           HB2      PHE  24  -5.021  -3.131  -5.468
  329    HB3  PHE  24           HB3      PHE  24  -5.141  -4.875  -5.490
  330    H    PHE  25           H        PHE  25  -6.286  -1.456  -4.144
  331    HA   PHE  25           HA       PHE  25  -8.223  -0.239  -5.930
  332    HD1  PHE  25           HD1      PHE  25 -10.347   0.840  -6.133
  333    HD2  PHE  25           HD2      PHE  25  -8.840   2.624  -2.499
  334    HE1  PHE  25           HE1      PHE  25 -11.404   2.992  -6.751
  335    HE2  PHE  25           HE2      PHE  25  -9.942   4.767  -3.108
  336    HZ   PHE  25           HZ       PHE  25 -11.200   4.963  -5.240
  337    HB2  PHE  25           HB2      PHE  25  -9.579  -0.509  -3.871
  338    HB3  PHE  25           HB3      PHE  25  -8.361   0.352  -2.944
  339    H    TYR  26           H        TYR  26  -7.654   1.718  -6.633
  340    HA   TYR  26           HA       TYR  26  -5.005   2.820  -5.885
  341    HD1  TYR  26           HD1      TYR  26  -6.874   0.504  -8.537
  342    HD2  TYR  26           HD2      TYR  26  -7.218   4.734  -9.304
  343    HE1  TYR  26           HE1      TYR  26  -8.832   0.077 -10.004
  344    HE2  TYR  26           HE2      TYR  26  -9.167   4.311 -10.779
  345    HH   TYR  26           HH       TYR  26 -10.450   1.008 -11.363
  346    HB2  TYR  26           HB2      TYR  26  -5.236   3.824  -8.193
  347    HB3  TYR  26           HB3      TYR  26  -4.991   2.106  -8.105
  348    H    THR  27           H        THR  27  -5.439   4.250  -4.222
  349    HA   THR  27           HA       THR  27  -7.795   5.849  -4.087
  350    HB   THR  27           HB       THR  27  -6.595   7.056  -2.219
  351    HG1  THR  27           HG1      THR  27  -4.688   5.762  -1.559
  352   HG21  THR  27          HG21      THR  27  -6.631   4.002  -2.093
  353   HG22  THR  27          HG22      THR  27  -8.014   5.078  -1.794
  354   HG23  THR  27          HG23      THR  27  -6.629   5.119  -0.709
  355    HA   PRO  28           HA       PRO  28  -6.723   8.985  -6.939
  356    HB2  PRO  28           HB2      PRO  28  -8.737  10.765  -6.594
  357    HB3  PRO  28           HB3      PRO  28  -9.057   9.071  -7.017
  358    HG2  PRO  28           HG2      PRO  28  -9.061  10.275  -4.223
  359    HG3  PRO  28           HG3      PRO  28 -10.382   9.364  -5.024
  360    HD2  PRO  28           HD2      PRO  28  -8.596   8.113  -3.402
  361    HD3  PRO  28           HD3      PRO  28  -9.207   7.330  -4.891
  362    H    LYS  29           H        LYS  29  -7.191  11.861  -6.530
  363    HA   LYS  29           HA       LYS  29  -4.740  12.742  -5.386
  364    HB2  LYS  29           HB2      LYS  29  -6.085  13.986  -7.051
  365    HB3  LYS  29           HB3      LYS  29  -7.364  14.232  -5.853
  366    HG2  LYS  29           HG2      LYS  29  -5.849  15.591  -4.469
  367    HG3  LYS  29           HG3      LYS  29  -4.505  15.273  -5.582
  368    HD2  LYS  29           HD2      LYS  29  -5.726  16.438  -7.394
  369    HD3  LYS  29           HD3      LYS  29  -7.085  16.738  -6.291
  370    HE2  LYS  29           HE2      LYS  29  -5.589  18.029  -4.779
  371    HE3  LYS  29           HE3      LYS  29  -4.221  17.717  -5.863
  372    HZ1  LYS  29           HZ1      LYS  29  -5.392  18.968  -7.591
  373    HZ2  LYS  29           HZ2      LYS  29  -5.205  19.901  -6.266
  374    HZ3  LYS  29           HZ3      LYS  29  -6.665  19.243  -6.594
  375    H    THR  30           H        THR  30  -7.947  12.400  -3.903
  376    HA   THR  30           HA       THR  30  -7.173  13.299  -1.245
  377    HB   THR  30           HB       THR  30  -9.523  11.534  -2.027
  378    HG1  THR  30           HG1      THR  30 -10.637  13.495  -2.177
  379   HG21  THR  30          HG21      THR  30 -10.557  12.533  -0.003
  380   HG22  THR  30          HG22      THR  30  -9.066  13.450   0.320
  381   HG23  THR  30          HG23      THR  30  -9.070  11.678   0.430
  Start of MODEL   43
    1    H1   GLY   1           H1       GLY   1  -2.853  10.471  -1.264
    2    H2   GLY   1           H2       GLY   1  -2.394  10.966  -2.770
    3    H3   GLY   1           H3       GLY   1  -1.376  10.069  -1.844
    4    HA2  GLY   1           HA2      GLY   1  -2.875   8.181  -1.937
    5    HA3  GLY   1           HA3      GLY   1  -3.943   9.145  -2.976
    6    H    ILE   2           H        ILE   2  -2.480   6.605  -3.507
    7    HA   ILE   2           HA       ILE   2   0.009   7.000  -4.740
    8    HB   ILE   2           HB       ILE   2  -0.333   4.716  -5.757
    9   HG12  ILE   2          HG12      ILE   2  -2.982   4.757  -4.206
   10   HG13  ILE   2          HG13      ILE   2  -2.833   4.787  -5.963
   11   HG21  ILE   2          HG21      ILE   2  -0.799   5.141  -2.787
   12   HG22  ILE   2          HG22      ILE   2  -0.131   3.666  -3.523
   13   HG23  ILE   2          HG23      ILE   2   0.762   5.185  -3.619
   14   HD11  ILE   2          HD11      ILE   2  -3.338   2.542  -5.231
   15   HD12  ILE   2          HD12      ILE   2  -1.689   2.570  -5.893
   16   HD13  ILE   2          HD13      ILE   2  -1.955   2.515  -4.132
   17    H    VAL   3           H        VAL   3  -3.080   7.290  -6.395
   18    HA   VAL   3           HA       VAL   3  -1.931   7.097  -9.050
   19    HB   VAL   3           HB       VAL   3  -4.513   8.415  -8.159
   20   HG11  VAL   3          HG11      VAL   3  -4.017   9.387 -10.317
   21   HG12  VAL   3          HG12      VAL   3  -3.609   7.785 -10.993
   22   HG13  VAL   3          HG13      VAL   3  -5.283   8.175 -10.529
   23   HG21  VAL   3          HG21      VAL   3  -4.112   5.748  -9.575
   24   HG22  VAL   3          HG22      VAL   3  -4.304   5.897  -7.818
   25   HG23  VAL   3          HG23      VAL   3  -5.613   6.400  -8.897
   26    H    GLU   4           H        GLU   4  -2.121   9.789  -6.787
   27    HA   GLU   4           HA       GLU   4  -0.946  11.674  -8.796
   28    HB2  GLU   4           HB2      GLU   4  -1.863  11.979  -5.910
   29    HB3  GLU   4           HB3      GLU   4  -0.960  13.225  -6.765
   30    HG2  GLU   4           HG2      GLU   4  -3.610  12.097  -7.743
   31    HG3  GLU   4           HG3      GLU   4  -3.473  13.525  -6.726
   32    H    GLN   5           H        GLN   5  -0.224  10.260  -5.579
   33    HA   GLN   5           HA       GLN   5   2.309  11.427  -5.278
   34    HB2  GLN   5           HB2      GLN   5   0.850  10.544  -3.510
   35    HB3  GLN   5           HB3      GLN   5   1.145   8.889  -4.060
   36    HG2  GLN   5           HG2      GLN   5   3.543   9.115  -3.472
   37    HG3  GLN   5           HG3      GLN   5   3.268  10.791  -2.965
   38   HE21  GLN   5          HE21      GLN   5   4.390   9.278  -1.041
   39   HE22  GLN   5          HE22      GLN   5   3.193   8.818   0.156
   40    H    CYS   6           H        CYS   6   1.542   8.144  -6.627
   41    HA   CYS   6           HA       CYS   6   4.415   7.531  -6.868
   42    HB2  CYS   6           HB2      CYS   6   2.390   5.953  -6.318
   43    HB3  CYS   6           HB3      CYS   6   2.159   5.918  -8.065
   44    H    CYS   7           H        CYS   7   2.125   9.205  -8.702
   45    HA   CYS   7           HA       CYS   7   3.361   8.641 -11.328
   46    HB2  CYS   7           HB2      CYS   7   0.883   8.890 -10.880
   47    HB3  CYS   7           HB3      CYS   7   1.156  10.599 -10.565
   48    H    THR   8           H        THR   8   3.078  11.356  -8.998
   49    HA   THR   8           HA       THR   8   4.927  13.043 -10.560
   50    HB   THR   8           HB       THR   8   2.807  13.847  -9.420
   51    HG1  THR   8           HG1      THR   8   3.856  15.816  -9.021
   52   HG21  THR   8          HG21      THR   8   3.298  12.831  -7.132
   53   HG22  THR   8          HG22      THR   8   2.895  14.553  -7.127
   54   HG23  THR   8          HG23      THR   8   4.583  14.038  -6.947
   55    H    SER   9           H        SER   9   5.010  11.155  -7.552
   56    HA   SER   9           HA       SER   9   7.982  11.460  -7.441
   57    HG   SER   9           HG       SER   9   8.098  11.792  -3.988
   58    HB2  SER   9           HB2      SER   9   6.768  12.656  -5.585
   59    HB3  SER   9           HB3      SER   9   6.112  11.088  -5.081
   60    H    ILE  10           H        ILE  10   7.936   9.353  -5.338
   61    HA   ILE  10           HA       ILE  10   7.412   6.971  -7.098
   62    HB   ILE  10           HB       ILE  10   9.244   5.851  -5.930
   63   HG12  ILE  10          HG12      ILE  10   9.932   8.543  -4.674
   64   HG13  ILE  10          HG13      ILE  10   9.204   7.176  -3.816
   65   HG21  ILE  10          HG21      ILE  10  10.159   8.435  -7.243
   66   HG22  ILE  10          HG22      ILE  10  11.045   6.901  -7.160
   67   HG23  ILE  10          HG23      ILE  10   9.563   6.999  -8.101
   68   HD11  ILE  10          HD11      ILE  10  11.202   5.789  -4.361
   69   HD12  ILE  10          HD12      ILE  10  11.967   7.227  -5.080
   70   HD13  ILE  10          HD13      ILE  10  11.561   7.206  -3.356
   71    H    CYS  11           H        CYS  11   6.872   4.984  -6.118
   72    HA   CYS  11           HA       CYS  11   6.191   4.967  -3.249
   73    HB2  CYS  11           HB2      CYS  11   4.024   4.063  -3.474
   74    HB3  CYS  11           HB3      CYS  11   4.062   5.550  -4.408
   75    H    SER  12           H        SER  12   5.782   2.787  -2.430
   76    HA   SER  12           HA       SER  12   7.704   0.852  -3.664
   77    HG   SER  12           HG       SER  12   7.814   2.821  -1.134
   78    HB2  SER  12           HB2      SER  12   6.636   0.913  -0.826
   79    HB3  SER  12           HB3      SER  12   8.001  -0.015  -1.456
   80    H    LEU  13           H        LEU  13   7.180  -1.422  -3.734
   81    HA   LEU  13           HA       LEU  13   4.478  -2.105  -4.395
   82    HG   LEU  13           HG       LEU  13   7.611  -2.776  -5.453
   83    HB2  LEU  13           HB2      LEU  13   6.772  -3.915  -3.510
   84    HB3  LEU  13           HB3      LEU  13   5.304  -4.413  -4.335
   85   HD11  LEU  13          HD11      LEU  13   7.766  -4.649  -7.053
   86   HD12  LEU  13          HD12      LEU  13   6.361  -5.428  -6.300
   87   HD13  LEU  13          HD13      LEU  13   7.876  -5.243  -5.387
   88   HD21  LEU  13          HD21      LEU  13   6.427  -2.669  -7.612
   89   HD22  LEU  13          HD22      LEU  13   5.588  -1.730  -6.377
   90   HD23  LEU  13          HD23      LEU  13   4.964  -3.324  -6.862
   91    H    TYR  14           H        TYR  14   6.267  -2.351  -1.327
   92    HA   TYR  14           HA       TYR  14   4.293  -3.682   0.198
   93    HD1  TYR  14           HD2      TYR  14   5.138  -4.792   2.465
   94    HD2  TYR  14           HD1      TYR  14   5.531  -0.520   2.978
   95    HE1  TYR  14           HE2      TYR  14   4.344  -5.002   4.814
   96    HE2  TYR  14           HE1      TYR  14   4.742  -0.734   5.327
   97    HH   TYR  14           HH       TYR  14   4.009  -2.155   6.983
   98    HB2  TYR  14           HB2      TYR  14   6.605  -3.270   0.936
   99    HB3  TYR  14           HB3      TYR  14   6.297  -1.533   0.986
  100    H    GLN  15           H        GLN  15   4.397  -0.331  -0.874
  101    HA   GLN  15           HA       GLN  15   2.189   0.565   0.888
  102    HB2  GLN  15           HB2      GLN  15   3.581   1.935  -1.448
  103    HB3  GLN  15           HB3      GLN  15   2.335   2.662  -0.451
  104    HG2  GLN  15           HG2      GLN  15   3.744   2.523   1.548
  105    HG3  GLN  15           HG3      GLN  15   5.003   1.665   0.666
  106   HE21  GLN  15          HE21      GLN  15   4.198   4.734   1.770
  107   HE22  GLN  15          HE22      GLN  15   5.147   5.652   0.600
  108    H    LEU  16           H        LEU  16   2.651  -0.438  -2.541
  109    HA   LEU  16           HA       LEU  16  -0.111  -0.133  -3.298
  110    HG   LEU  16           HG       LEU  16   2.834   0.055  -4.751
  111    HB2  LEU  16           HB2      LEU  16   1.949  -2.158  -4.268
  112    HB3  LEU  16           HB3      LEU  16   0.443  -1.791  -5.063
  113   HD11  LEU  16          HD11      LEU  16   2.990  -1.696  -6.488
  114   HD12  LEU  16          HD12      LEU  16   2.893  -0.079  -7.194
  115   HD13  LEU  16          HD13      LEU  16   1.459  -1.128  -7.196
  116   HD21  LEU  16          HD21      LEU  16   1.577   1.685  -6.134
  117   HD22  LEU  16          HD22      LEU  16   0.858   1.481  -4.537
  118   HD23  LEU  16          HD23      LEU  16   0.108   0.706  -5.952
  119    H    GLU  17           H        GLU  17   1.586  -2.862  -1.752
  120    HA   GLU  17           HA       GLU  17  -0.637  -4.624  -1.560
  121    HB2  GLU  17           HB2      GLU  17   2.026  -4.742  -0.933
  122    HB3  GLU  17           HB3      GLU  17   1.357  -4.586   0.678
  123    HG2  GLU  17           HG2      GLU  17   0.692  -6.713  -1.401
  124    HG3  GLU  17           HG3      GLU  17   1.732  -6.925   0.002
  125    H    ASN  18           H        ASN  18   0.387  -1.988   0.655
  126    HA   ASN  18           HA       ASN  18  -1.491  -2.510   2.713
  127    HB2  ASN  18           HB2      ASN  18   0.512  -1.083   2.930
  128    HB3  ASN  18           HB3      ASN  18  -0.206   0.113   1.852
  129   HD21  ASN  18          HD21      ASN  18  -1.487   1.713   2.768
  130   HD22  ASN  18          HD22      ASN  18  -2.044   1.668   4.431
  131    H    TYR  19           H        TYR  19  -1.975  -0.931  -0.405
  132    HA   TYR  19           HA       TYR  19  -4.600   0.182   0.275
  133    HD1  TYR  19           HD2      TYR  19  -5.870   2.131  -1.469
  134    HD2  TYR  19           HD1      TYR  19  -1.572   1.994  -1.236
  135    HE1  TYR  19           HE2      TYR  19  -5.821   4.567  -0.970
  136    HE2  TYR  19           HE1      TYR  19  -1.517   4.424  -0.736
  137    HH   TYR  19           HH       TYR  19  -4.507   6.413  -0.576
  138    HB2  TYR  19           HB2      TYR  19  -2.838   0.100  -2.151
  139    HB3  TYR  19           HB3      TYR  19  -4.559   0.249  -2.422
  140    H    CYS  20           H        CYS  20  -3.584  -3.029  -0.456
  141    HA   CYS  20           HA       CYS  20  -6.133  -3.759  -1.762
  142    HB2  CYS  20           HB2      CYS  20  -3.639  -5.338  -1.079
  143    HB3  CYS  20           HB3      CYS  20  -5.041  -5.992  -1.931
  144    H    ASN  21           H        ASN  21  -7.406  -5.541  -1.110
  145    HA   ASN  21           HA       ASN  21  -7.689  -6.000   1.831
  146    HB2  ASN  21           HB2      ASN  21  -9.187  -4.167   1.065
  147    HB3  ASN  21           HB3      ASN  21  -9.857  -5.232  -0.171
  148   HD21  ASN  21          HD21      ASN  21  -9.373  -5.078   3.396
  149   HD22  ASN  21          HD22      ASN  21 -10.906  -5.865   3.762
  150    HA   PHE   1           HA       PHE   1  10.994  -4.929  -2.118
  151    HD1  PHE   1           HD2      PHE   1   9.963  -3.762   0.349
  152    HD2  PHE   1           HD1      PHE   1  13.348  -1.571  -1.198
  153    HE1  PHE   1           HE2      PHE   1   8.813  -1.612   0.845
  154    HE2  PHE   1           HE1      PHE   1  12.177   0.563  -0.720
  155    HZ   PHE   1           HZ       PHE   1   9.925   0.544   0.326
  156    H1   PHE   1           H1       PHE   1  12.437  -6.549  -3.103
  157    H2   PHE   1           H2       PHE   1  12.475  -6.700  -1.474
  158    H3   PHE   1           H3       PHE   1  13.728  -5.993  -2.262
  159    HB2  PHE   1           HB2      PHE   1  12.204  -4.830   0.050
  160    HB3  PHE   1           HB3      PHE   1  13.524  -3.965  -0.719
  161    H    VAL   2           H        VAL   2  10.683  -2.845  -3.134
  162    HA   VAL   2           HA       VAL   2  12.726  -1.494  -4.594
  163    HB   VAL   2           HB       VAL   2  12.485  -3.460  -6.119
  164   HG11  VAL   2          HG11      VAL   2   9.681  -2.429  -6.711
  165   HG12  VAL   2          HG12      VAL   2  10.518  -3.781  -7.494
  166   HG13  VAL   2          HG13      VAL   2  10.067  -3.905  -5.788
  167   HG21  VAL   2          HG21      VAL   2  11.543  -0.920  -7.479
  168   HG22  VAL   2          HG22      VAL   2  13.220  -1.229  -6.965
  169   HG23  VAL   2          HG23      VAL   2  12.449  -2.267  -8.175
  170    H    ASN   3           H        ASN   3  12.017   0.454  -5.520
  171    HA   ASN   3           HA       ASN   3   9.171   1.204  -5.288
  172    HB2  ASN   3           HB2      ASN   3   9.911   3.472  -4.405
  173    HB3  ASN   3           HB3      ASN   3   9.998   2.111  -3.283
  174   HD21  ASN   3          HD21      ASN   3  12.398   3.291  -5.796
  175   HD22  ASN   3          HD22      ASN   3  13.670   3.475  -4.608
  176    H    GLN   4           H        GLN   4   8.437   2.751  -6.746
  177    HA   GLN   4           HA       GLN   4  10.209   3.392  -9.072
  178    HB2  GLN   4           HB2      GLN   4   7.685   1.668  -9.146
  179    HB3  GLN   4           HB3      GLN   4   8.520   2.288 -10.567
  180    HG2  GLN   4           HG2      GLN   4  10.558   0.983  -9.936
  181    HG3  GLN   4           HG3      GLN   4   9.666   0.296  -8.575
  182   HE21  GLN   4          HE21      GLN   4   9.540   0.560 -12.197
  183   HE22  GLN   4          HE22      GLN   4   8.702  -0.972 -12.382
  184    H    HIS   5           H        HIS   5   9.059   4.653 -10.736
  185    HA   HIS   5           HA       HIS   5   6.800   6.335  -9.778
  186    HD1  HIS   5           HD1      HIS   5   7.844   8.992  -9.641
  187    HD2  HIS   5           HD2      HIS   5  10.686   7.182 -12.151
  188    HE1  HIS   5           HE1      HIS   5  10.020  10.288  -9.309
  189    HB2  HIS   5           HB2      HIS   5   8.277   6.322 -12.445
  190    HB3  HIS   5           HB3      HIS   5   7.024   7.449 -11.951
  191    H    LEU   6           H        LEU   6   4.722   5.871 -10.474
  192    HA   LEU   6           HA       LEU   6   4.178   3.895 -12.596
  193    HG   LEU   6           HG       LEU   6   5.649   2.478 -10.262
  194    HB2  LEU   6           HB2      LEU   6   3.402   3.518  -9.680
  195    HB3  LEU   6           HB3      LEU   6   2.694   2.621 -11.003
  196   HD11  LEU   6          HD11      LEU   6   4.287   1.645  -8.422
  197   HD12  LEU   6          HD12      LEU   6   5.064   0.291  -9.258
  198   HD13  LEU   6          HD13      LEU   6   3.344   0.635  -9.543
  199   HD21  LEU   6          HD21      LEU   6   3.908   0.711 -12.055
  200   HD22  LEU   6          HD22      LEU   6   5.616   0.434 -11.664
  201   HD23  LEU   6          HD23      LEU   6   5.154   1.840 -12.630
  202    H    CYS   7           H        CYS   7   2.239   4.361 -13.586
  203    HA   CYS   7           HA       CYS   7   0.209   6.003 -12.248
  204    HB2  CYS   7           HB2      CYS   7   2.120   7.461 -13.201
  205    HB3  CYS   7           HB3      CYS   7   1.450   7.100 -14.786
  206    H    GLY   8           H        GLY   8  -1.708   6.177 -13.387
  207    HA2  GLY   8           HA2      GLY   8  -3.522   5.285 -14.558
  208    HA3  GLY   8           HA3      GLY   8  -2.399   5.257 -15.919
  209    H    SER   9           H        SER   9  -2.565   3.378 -16.938
  210    HA   SER   9           HA       SER   9  -3.602   0.953 -15.862
  211    HG   SER   9           HG       SER   9  -3.886   1.524 -19.401
  212    HB2  SER   9           HB2      SER   9  -1.845   1.358 -18.314
  213    HB3  SER   9           HB3      SER   9  -2.913  -0.021 -17.983
  214    H    HIS  10           H        HIS  10  -0.292   2.199 -16.030
  215    HA   HIS  10           HA       HIS  10   1.060  -0.315 -15.557
  216    HD1  HIS  10           HD1      HIS  10   1.462   4.109 -16.792
  217    HD2  HIS  10           HD2      HIS  10   2.447   0.232 -18.079
  218    HE1  HIS  10           HE1      HIS  10   1.517   4.192 -19.346
  219    HB2  HIS  10           HB2      HIS  10   2.040   2.479 -14.895
  220    HB3  HIS  10           HB3      HIS  10   3.005   1.077 -15.333
  221    H    LEU  11           H        LEU  11  -0.125   2.312 -13.437
  222    HA   LEU  11           HA       LEU  11   0.801   1.128 -10.950
  223    HG   LEU  11           HG       LEU  11  -1.691   2.317  -9.279
  224    HB2  LEU  11           HB2      LEU  11   0.319   3.532 -11.220
  225    HB3  LEU  11           HB3      LEU  11  -1.369   3.188 -11.581
  226   HD11  LEU  11          HD11      LEU  11   0.058   2.767  -7.562
  227   HD12  LEU  11          HD12      LEU  11   1.199   3.200  -8.837
  228   HD13  LEU  11          HD13      LEU  11   0.577   1.539  -8.722
  229   HD21  LEU  11          HD21      LEU  11  -0.427   5.095  -9.364
  230   HD22  LEU  11          HD22      LEU  11  -1.597   4.492  -8.171
  231   HD23  LEU  11          HD23      LEU  11  -2.081   4.701  -9.866
  232    H    VAL  12           H        VAL  12  -2.313   1.065 -12.711
  233    HA   VAL  12           HA       VAL  12  -3.689  -0.634 -10.865
  234    HB   VAL  12           HB       VAL  12  -4.062  -0.122 -13.827
  235   HG11  VAL  12          HG11      VAL  12  -6.331  -1.157 -13.628
  236   HG12  VAL  12          HG12      VAL  12  -5.027  -2.339 -13.511
  237   HG13  VAL  12          HG13      VAL  12  -5.865  -1.802 -12.040
  238   HG21  VAL  12          HG21      VAL  12  -5.691   0.699 -11.376
  239   HG22  VAL  12          HG22      VAL  12  -4.559   1.747 -12.254
  240   HG23  VAL  12          HG23      VAL  12  -6.020   1.165 -13.057
  241    H    GLU  13           H        GLU  13  -1.631  -1.503 -13.672
  242    HA   GLU  13           HA       GLU  13  -1.911  -4.341 -13.420
  243    HB2  GLU  13           HB2      GLU  13  -1.032  -3.135 -15.397
  244    HB3  GLU  13           HB3      GLU  13   0.430  -2.715 -14.498
  245    HG2  GLU  13           HG2      GLU  13   1.019  -5.078 -14.282
  246    HG3  GLU  13           HG3      GLU  13  -0.508  -5.576 -15.011
  247    H    ALA  14           H        ALA  14   0.563  -2.078 -12.059
  248    HA   ALA  14           HA       ALA  14   2.089  -4.034 -10.678
  249    HB1  ALA  14           HB1      ALA  14   2.811  -1.699 -11.068
  250    HB2  ALA  14           HB2      ALA  14   1.568  -1.113  -9.943
  251    HB3  ALA  14           HB3      ALA  14   2.906  -2.121  -9.348
  252    H    LEU  15           H        LEU  15  -0.687  -2.098  -9.443
  253    HA   LEU  15           HA       LEU  15  -0.956  -3.221  -6.860
  254    HG   LEU  15           HG       LEU  15  -1.354  -0.570  -7.476
  255    HB2  LEU  15           HB2      LEU  15  -2.895  -2.105  -8.924
  256    HB3  LEU  15           HB3      LEU  15  -3.481  -2.733  -7.402
  257   HD11  LEU  15          HD11      LEU  15  -4.391  -0.196  -7.386
  258   HD12  LEU  15          HD12      LEU  15  -3.329   0.242  -8.740
  259   HD13  LEU  15          HD13      LEU  15  -3.176   1.084  -7.198
  260   HD21  LEU  15          HD21      LEU  15  -3.448  -1.265  -5.351
  261   HD22  LEU  15          HD22      LEU  15  -2.127  -0.094  -5.208
  262   HD23  LEU  15          HD23      LEU  15  -1.773  -1.826  -5.311
  263    H    TYR  16           H        TYR  16  -2.538  -4.377  -9.892
  264    HA   TYR  16           HA       TYR  16  -3.746  -6.670  -8.770
  265    HD1  TYR  16           HD2      TYR  16  -5.608  -7.999 -10.037
  266    HD2  TYR  16           HD1      TYR  16  -2.260  -8.013 -12.754
  267    HE1  TYR  16           HE2      TYR  16  -6.198 -10.308 -10.758
  268    HE2  TYR  16           HE1      TYR  16  -2.844 -10.312 -13.479
  269    HH   TYR  16           HH       TYR  16  -4.295 -12.094 -13.228
  270    HB2  TYR  16           HB2      TYR  16  -4.389  -5.808 -10.927
  271    HB3  TYR  16           HB3      TYR  16  -2.774  -6.045 -11.574
  272    H    LEU  17           H        LEU  17  -0.494  -6.365 -10.213
  273    HA   LEU  17           HA       LEU  17   0.107  -9.198  -9.894
  274    HG   LEU  17           HG       LEU  17   0.244  -7.446 -12.375
  275    HB2  LEU  17           HB2      LEU  17   1.840  -6.781 -10.538
  276    HB3  LEU  17           HB3      LEU  17   2.454  -8.435 -10.510
  277   HD11  LEU  17          HD11      LEU  17   1.971  -7.583 -14.122
  278   HD12  LEU  17          HD12      LEU  17   3.181  -8.085 -12.920
  279   HD13  LEU  17          HD13      LEU  17   2.472  -6.459 -12.850
  280   HD21  LEU  17          HD21      LEU  17  -0.025  -9.835 -11.978
  281   HD22  LEU  17          HD22      LEU  17   1.704 -10.113 -12.281
  282   HD23  LEU  17          HD23      LEU  17   0.631  -9.569 -13.585
  283    H    VAL  18           H        VAL  18   0.741  -6.375  -7.898
  284    HA   VAL  18           HA       VAL  18   2.453  -7.723  -5.988
  285    HB   VAL  18           HB       VAL  18   0.799  -5.183  -5.891
  286   HG11  VAL  18          HG11      VAL  18   2.515  -6.266  -3.606
  287   HG12  VAL  18          HG12      VAL  18   1.882  -4.613  -3.741
  288   HG13  VAL  18          HG13      VAL  18   0.764  -5.951  -3.577
  289   HG21  VAL  18          HG21      VAL  18   2.969  -5.228  -7.196
  290   HG22  VAL  18          HG22      VAL  18   3.004  -4.113  -5.820
  291   HG23  VAL  18          HG23      VAL  18   3.809  -5.698  -5.710
  292    H    CYS  19           H        CYS  19  -1.073  -7.119  -6.122
  293    HA   CYS  19           HA       CYS  19  -1.418  -8.439  -3.508
  294    HB2  CYS  19           HB2      CYS  19  -3.375  -6.988  -5.316
  295    HB3  CYS  19           HB3      CYS  19  -3.707  -7.553  -3.671
  296    H    GLY  20           H        GLY  20  -2.008  -9.343  -6.856
  297    HA2  GLY  20           HA2      GLY  20  -2.657 -11.365  -7.780
  298    HA3  GLY  20           HA3      GLY  20  -2.270 -12.091  -6.217
  299    H    GLU  21           H        GLU  21  -3.870 -12.934  -5.058
  300    HA   GLU  21           HA       GLU  21  -6.621 -12.942  -6.030
  301    HB2  GLU  21           HB2      GLU  21  -5.329 -14.126  -3.540
  302    HB3  GLU  21           HB3      GLU  21  -7.006 -14.377  -4.016
  303    HG2  GLU  21           HG2      GLU  21  -6.260 -15.391  -6.159
  304    HG3  GLU  21           HG3      GLU  21  -4.573 -15.187  -5.674
  305    H    ARG  22           H        ARG  22  -4.879 -11.019  -3.638
  306    HA   ARG  22           HA       ARG  22  -7.281 -10.070  -2.238
  307    HE   ARG  22           HE       ARG  22  -2.792  -8.304   0.170
  308    HB2  ARG  22           HB2      ARG  22  -4.363  -9.253  -2.227
  309    HB3  ARG  22           HB3      ARG  22  -5.600  -8.257  -1.457
  310    HG2  ARG  22           HG2      ARG  22  -6.213  -9.948   0.086
  311    HG3  ARG  22           HG3      ARG  22  -5.387 -11.218  -0.809
  312    HD2  ARG  22           HD2      ARG  22  -4.224 -10.501   1.307
  313    HD3  ARG  22           HD3      ARG  22  -3.248 -10.504  -0.157
  314   HH11  ARG  22          HH21      ARG  22  -5.909  -8.728   1.842
  315   HH12  ARG  22          HH22      ARG  22  -5.783  -7.137   2.533
  316   HH21  ARG  22          HH11      ARG  22  -2.762  -6.398   0.972
  317   HH22  ARG  22          HH12      ARG  22  -4.105  -5.736   1.897
  318    H    GLY  23           H        GLY  23  -8.346  -8.164  -2.546
  319    HA2  GLY  23           HA2      GLY  23  -8.439  -7.229  -5.351
  320    HA3  GLY  23           HA3      GLY  23  -9.612  -6.877  -4.053
  321    H    PHE  24           H        PHE  24  -7.663  -5.321  -6.054
  322    HA   PHE  24           HA       PHE  24  -6.329  -3.529  -4.129
  323    HD1  PHE  24           HD1      PHE  24  -6.599  -1.496  -7.787
  324    HD2  PHE  24           HD2      PHE  24  -6.047  -5.773  -7.765
  325    HE1  PHE  24           HE1      PHE  24  -7.441  -1.622 -10.122
  326    HE2  PHE  24           HE2      PHE  24  -6.899  -5.890 -10.093
  327    HZ   PHE  24           HZ       PHE  24  -7.592  -3.820 -11.273
  328    HB2  PHE  24           HB2      PHE  24  -5.227  -2.621  -6.050
  329    HB3  PHE  24           HB3      PHE  24  -5.056  -4.360  -6.014
  330    H    PHE  25           H        PHE  25  -6.346  -1.214  -4.497
  331    HA   PHE  25           HA       PHE  25  -8.705  -0.010  -5.772
  332    HD1  PHE  25           HD1      PHE  25 -10.904   1.132  -5.201
  333    HD2  PHE  25           HD2      PHE  25  -8.274   2.461  -2.053
  334    HE1  PHE  25           HE1      PHE  25 -12.056   3.331  -5.158
  335    HE2  PHE  25           HE2      PHE  25  -9.434   4.654  -2.010
  336    HZ   PHE  25           HZ       PHE  25 -11.322   5.091  -3.574
  337    HB2  PHE  25           HB2      PHE  25  -9.560  -0.480  -3.544
  338    HB3  PHE  25           HB3      PHE  25  -8.131   0.234  -2.802
  339    H    TYR  26           H        TYR  26  -7.706   1.341  -7.119
  340    HA   TYR  26           HA       TYR  26  -5.365   2.936  -6.321
  341    HD1  TYR  26           HD2      TYR  26  -7.432   0.619  -9.191
  342    HD2  TYR  26           HD1      TYR  26  -7.216   4.904  -9.622
  343    HE1  TYR  26           HE2      TYR  26  -9.399   0.562 -10.710
  344    HE2  TYR  26           HE1      TYR  26  -9.183   4.854 -11.135
  345    HH   TYR  26           HH       TYR  26 -10.845   1.791 -12.013
  346    HB2  TYR  26           HB2      TYR  26  -5.374   3.634  -8.626
  347    HB3  TYR  26           HB3      TYR  26  -5.409   1.891  -8.523
  348    H    THR  27           H        THR  27  -5.390   5.177  -6.120
  349    HA   THR  27           HA       THR  27  -7.764   6.791  -6.485
  350    HB   THR  27           HB       THR  27  -8.465   5.756  -4.439
  351    HG1  THR  27           HG1      THR  27  -8.658   7.620  -3.203
  352   HG21  THR  27          HG21      THR  27  -5.824   6.678  -3.220
  353   HG22  THR  27          HG22      THR  27  -6.336   4.989  -3.472
  354   HG23  THR  27          HG23      THR  27  -7.198   6.018  -2.325
  355    HA   PRO  28           HA       PRO  28  -4.463   9.878  -6.427
  356    HB2  PRO  28           HB2      PRO  28  -5.910  12.165  -6.697
  357    HB3  PRO  28           HB3      PRO  28  -5.771  10.970  -8.028
  358    HG2  PRO  28           HG2      PRO  28  -8.015  11.250  -6.008
  359    HG3  PRO  28           HG3      PRO  28  -8.147  11.153  -7.791
  360    HD2  PRO  28           HD2      PRO  28  -8.453   8.964  -6.213
  361    HD3  PRO  28           HD3      PRO  28  -7.641   8.852  -7.801
  362    H    LYS  29           H        LYS  29  -6.954   9.553  -4.047
  363    HA   LYS  29           HA       LYS  29  -5.896  11.793  -2.396
  364    HB2  LYS  29           HB2      LYS  29  -8.147  11.890  -3.429
  365    HB3  LYS  29           HB3      LYS  29  -8.621  10.456  -2.504
  366    HG2  LYS  29           HG2      LYS  29  -8.244  11.706  -0.386
  367    HG3  LYS  29           HG3      LYS  29  -7.709  13.122  -1.318
  368    HD2  LYS  29           HD2      LYS  29  -9.947  13.284  -2.363
  369    HD3  LYS  29           HD3      LYS  29 -10.478  11.848  -1.455
  370    HE2  LYS  29           HE2      LYS  29 -10.049  13.036   0.683
  371    HE3  LYS  29           HE3      LYS  29  -9.504  14.462  -0.210
  372    HZ1  LYS  29           HZ1      LYS  29 -12.239  13.317  -0.329
  373    HZ2  LYS  29           HZ2      LYS  29 -11.742  14.638  -1.159
  374    HZ3  LYS  29           HZ3      LYS  29 -11.825  14.679   0.469
  375    H    THR  30           H        THR  30  -5.481  11.579  -0.257
  376    HA   THR  30           HA       THR  30  -4.787   8.887   0.735
  377    HB   THR  30           HB       THR  30  -4.312  11.590   2.035
  378    HG1  THR  30           HG1      THR  30  -2.299  11.442   1.047
  379   HG21  THR  30          HG21      THR  30  -2.430  10.402   3.134
  380   HG22  THR  30          HG22      THR  30  -2.946   8.882   2.369
  381   HG23  THR  30          HG23      THR  30  -3.984   9.677   3.570
  Start of MODEL   44
    1    H1   GLY   1           H1       GLY   1  -0.296  10.418   0.190
    2    H2   GLY   1           H2       GLY   1  -1.546  11.480   0.306
    3    H3   GLY   1           H3       GLY   1  -0.555  11.511  -1.003
    4    HA2  GLY   1           HA2      GLY   1  -2.386   9.308  -0.297
    5    HA3  GLY   1           HA3      GLY   1  -2.656  10.490  -1.586
    6    H    ILE   2           H        ILE   2  -2.098   7.423  -1.409
    7    HA   ILE   2           HA       ILE   2   0.444   6.814  -2.402
    8    HB   ILE   2           HB       ILE   2  -0.963   5.196  -1.415
    9   HG12  ILE   2          HG12      ILE   2   0.789   4.518  -3.164
   10   HG13  ILE   2          HG13      ILE   2  -0.325   3.326  -2.531
   11   HG21  ILE   2          HG21      ILE   2  -2.896   4.121  -2.495
   12   HG22  ILE   2          HG22      ILE   2  -3.198   5.824  -2.133
   13   HG23  ILE   2          HG23      ILE   2  -2.850   5.311  -3.798
   14   HD11  ILE   2          HD11      ILE   2  -1.653   3.341  -4.578
   15   HD12  ILE   2          HD12      ILE   2  -0.645   4.640  -5.262
   16   HD13  ILE   2          HD13      ILE   2   0.047   3.052  -4.945
   17    H    VAL   3           H        VAL   3  -2.437   7.397  -4.457
   18    HA   VAL   3           HA       VAL   3  -1.100   6.754  -6.887
   19    HB   VAL   3           HB       VAL   3  -3.504   8.546  -6.439
   20   HG11  VAL   3          HG11      VAL   3  -2.466   7.360  -9.057
   21   HG12  VAL   3          HG12      VAL   3  -4.059   8.112  -8.837
   22   HG13  VAL   3          HG13      VAL   3  -2.602   9.085  -8.657
   23   HG21  VAL   3          HG21      VAL   3  -4.748   6.497  -7.213
   24   HG22  VAL   3          HG22      VAL   3  -3.211   5.609  -7.210
   25   HG23  VAL   3          HG23      VAL   3  -3.885   6.235  -5.699
   26    H    GLU   4           H        GLU   4  -1.544   9.938  -5.286
   27    HA   GLU   4           HA       GLU   4  -0.188  11.452  -7.305
   28    HB2  GLU   4           HB2      GLU   4  -1.726  12.413  -5.631
   29    HB3  GLU   4           HB3      GLU   4  -0.560  12.065  -4.345
   30    HG2  GLU   4           HG2      GLU   4   1.052  13.619  -5.314
   31    HG3  GLU   4           HG3      GLU   4   0.056  13.827  -6.756
   32    H    GLN   5           H        GLN   5   1.012   9.894  -4.264
   33    HA   GLN   5           HA       GLN   5   3.710  10.820  -4.540
   34    HB2  GLN   5           HB2      GLN   5   2.781   9.798  -2.444
   35    HB3  GLN   5           HB3      GLN   5   2.725   8.226  -3.259
   36    HG2  GLN   5           HG2      GLN   5   5.238   8.470  -3.680
   37    HG3  GLN   5           HG3      GLN   5   5.213   9.904  -2.657
   38   HE21  GLN   5          HE21      GLN   5   6.633   7.252  -2.391
   39   HE22  GLN   5          HE22      GLN   5   6.142   6.683  -0.792
   40    H    CYS   6           H        CYS   6   2.228   7.684  -5.625
   41    HA   CYS   6           HA       CYS   6   4.622   6.633  -6.728
   42    HB2  CYS   6           HB2      CYS   6   1.684   6.167  -7.347
   43    HB3  CYS   6           HB3      CYS   6   2.975   5.255  -8.106
   44    H    CYS   7           H        CYS   7   2.280   8.839  -8.196
   45    HA   CYS   7           HA       CYS   7   3.459   8.674 -10.849
   46    HB2  CYS   7           HB2      CYS   7   1.518  10.553  -9.430
   47    HB3  CYS   7           HB3      CYS   7   2.006  10.801 -11.090
   48    H    THR   8           H        THR   8   3.478  11.234  -8.294
   49    HA   THR   8           HA       THR   8   5.288  12.903  -9.871
   50    HB   THR   8           HB       THR   8   5.045  14.537  -8.078
   51    HG1  THR   8           HG1      THR   8   3.426  12.603  -6.772
   52   HG21  THR   8          HG21      THR   8   3.256  14.406  -9.775
   53   HG22  THR   8          HG22      THR   8   2.638  14.932  -8.196
   54   HG23  THR   8          HG23      THR   8   2.346  13.275  -8.754
   55    H    SER   9           H        SER   9   5.785  10.596  -7.352
   56    HA   SER   9           HA       SER   9   8.703  11.123  -7.341
   57    HG   SER   9           HG       SER   9   9.092  11.493  -3.902
   58    HB2  SER   9           HB2      SER   9   7.586  12.293  -5.384
   59    HB3  SER   9           HB3      SER   9   7.060  10.696  -4.818
   60    H    ILE  10           H        ILE  10   9.237   9.129  -5.443
   61    HA   ILE  10           HA       ILE  10   8.520   6.695  -7.025
   62    HB   ILE  10           HB       ILE  10  10.349   5.595  -5.821
   63   HG12  ILE  10          HG12      ILE  10  11.158   8.380  -4.858
   64   HG13  ILE  10          HG13      ILE  10  10.446   7.131  -3.828
   65   HG21  ILE  10          HG21      ILE  10  12.097   6.530  -7.240
   66   HG22  ILE  10          HG22      ILE  10  10.554   6.547  -8.093
   67   HG23  ILE  10          HG23      ILE  10  11.200   8.050  -7.403
   68   HD11  ILE  10          HD11      ILE  10  13.135   6.973  -5.241
   69   HD12  ILE  10          HD12      ILE  10  12.827   7.118  -3.506
   70   HD13  ILE  10          HD13      ILE  10  12.379   5.627  -4.349
   71    H    CYS  11           H        CYS  11   7.667   4.897  -6.202
   72    HA   CYS  11           HA       CYS  11   7.169   4.681  -3.295
   73    HB2  CYS  11           HB2      CYS  11   4.873   4.058  -3.521
   74    HB3  CYS  11           HB3      CYS  11   5.084   5.587  -4.354
   75    H    SER  12           H        SER  12   6.525   2.367  -2.761
   76    HA   SER  12           HA       SER  12   8.087   0.469  -4.512
   77    HG   SER  12           HG       SER  12   9.774  -1.054  -1.950
   78    HB2  SER  12           HB2      SER  12   9.215   1.070  -2.344
   79    HB3  SER  12           HB3      SER  12   7.851   0.321  -1.496
   80    H    LEU  13           H        LEU  13   7.549  -1.752  -4.252
   81    HA   LEU  13           HA       LEU  13   4.753  -2.376  -4.640
   82    HG   LEU  13           HG       LEU  13   7.728  -3.005  -6.016
   83    HB2  LEU  13           HB2      LEU  13   7.126  -4.174  -3.979
   84    HB3  LEU  13           HB3      LEU  13   5.589  -4.696  -4.634
   85   HD11  LEU  13          HD11      LEU  13   7.854  -4.893  -7.581
   86   HD12  LEU  13          HD12      LEU  13   6.594  -5.754  -6.662
   87   HD13  LEU  13          HD13      LEU  13   8.174  -5.422  -5.923
   88   HD21  LEU  13          HD21      LEU  13   4.992  -3.745  -7.141
   89   HD22  LEU  13          HD22      LEU  13   6.333  -3.045  -8.064
   90   HD23  LEU  13          HD23      LEU  13   5.578  -2.105  -6.774
   91    H    TYR  14           H        TYR  14   6.925  -2.539  -1.830
   92    HA   TYR  14           HA       TYR  14   5.189  -3.810   0.020
   93    HD1  TYR  14           HD1      TYR  14   6.841  -5.294   0.732
   94    HD2  TYR  14           HD2      TYR  14   9.428  -1.863   0.383
   95    HE1  TYR  14           HE1      TYR  14   8.828  -6.794   0.685
   96    HE2  TYR  14           HE2      TYR  14  11.410  -3.356   0.323
   97    HH   TYR  14           HH       TYR  14  12.182  -5.511   0.458
   98    HB2  TYR  14           HB2      TYR  14   7.146  -1.517   0.485
   99    HB3  TYR  14           HB3      TYR  14   6.495  -2.568   1.722
  100    H    GLN  15           H        GLN  15   5.172  -0.505  -1.200
  101    HA   GLN  15           HA       GLN  15   3.173   0.440   0.783
  102    HB2  GLN  15           HB2      GLN  15   4.375   1.871  -1.628
  103    HB3  GLN  15           HB3      GLN  15   3.344   2.584  -0.406
  104    HG2  GLN  15           HG2      GLN  15   6.141   1.456   0.060
  105    HG3  GLN  15           HG3      GLN  15   5.717   3.159  -0.057
  106   HE21  GLN  15          HE21      GLN  15   7.095   2.138   2.206
  107   HE22  GLN  15          HE22      GLN  15   6.009   2.240   3.579
  108    H    LEU  16           H        LEU  16   3.280  -0.671  -2.618
  109    HA   LEU  16           HA       LEU  16   0.487  -0.132  -3.151
  110    HG   LEU  16           HG       LEU  16   3.354  -0.355  -4.898
  111    HB2  LEU  16           HB2      LEU  16   2.221  -2.394  -4.247
  112    HB3  LEU  16           HB3      LEU  16   0.699  -1.825  -4.905
  113   HD11  LEU  16          HD11      LEU  16   3.019  -2.123  -6.619
  114   HD12  LEU  16          HD12      LEU  16   3.145  -0.507  -7.323
  115   HD13  LEU  16          HD13      LEU  16   1.552  -1.284  -7.167
  116   HD21  LEU  16          HD21      LEU  16   0.637   0.684  -5.794
  117   HD22  LEU  16          HD22      LEU  16   2.200   1.446  -6.174
  118   HD23  LEU  16          HD23      LEU  16   1.659   1.350  -4.496
  119    H    GLU  17           H        GLU  17   2.162  -2.933  -1.651
  120    HA   GLU  17           HA       GLU  17  -0.076  -4.581  -1.422
  121    HB2  GLU  17           HB2      GLU  17   2.284  -5.250  -1.059
  122    HB3  GLU  17           HB3      GLU  17   2.271  -4.450   0.515
  123    HG2  GLU  17           HG2      GLU  17   0.627  -5.996   1.380
  124    HG3  GLU  17           HG3      GLU  17   0.250  -6.590  -0.237
  125    H    ASN  18           H        ASN  18   0.700  -1.797   0.588
  126    HA   ASN  18           HA       ASN  18  -0.996  -2.298   2.823
  127    HB2  ASN  18           HB2      ASN  18   0.719  -0.510   2.680
  128    HB3  ASN  18           HB3      ASN  18  -0.258   0.321   1.462
  129   HD21  ASN  18          HD21      ASN  18  -1.913   1.718   2.160
  130   HD22  ASN  18          HD22      ASN  18  -2.341   1.897   3.851
  131    H    TYR  19           H        TYR  19  -1.814  -1.411  -0.490
  132    HA   TYR  19           HA       TYR  19  -4.612  -0.710   0.229
  133    HD1  TYR  19           HD1      TYR  19  -1.289   1.063  -0.846
  134    HD2  TYR  19           HD2      TYR  19  -5.500   1.965  -0.807
  135    HE1  TYR  19           HE1      TYR  19  -0.809   3.178   0.366
  136    HE2  TYR  19           HE2      TYR  19  -5.029   4.108   0.368
  137    HH   TYR  19           HH       TYR  19  -1.698   5.073   1.325
  138    HB2  TYR  19           HB2      TYR  19  -2.893  -0.242  -2.230
  139    HB3  TYR  19           HB3      TYR  19  -4.609   0.105  -2.154
  140    H    CYS  20           H        CYS  20  -3.107  -3.546  -0.388
  141    HA   CYS  20           HA       CYS  20  -5.045  -4.803  -2.155
  142    HB2  CYS  20           HB2      CYS  20  -3.345  -6.048   0.018
  143    HB3  CYS  20           HB3      CYS  20  -4.247  -6.909  -1.231
  144    H    ASN  21           H        ASN  21  -6.763  -6.149  -1.608
  145    HA   ASN  21           HA       ASN  21  -8.459  -5.255   0.626
  146    HB2  ASN  21           HB2      ASN  21  -9.567  -5.505  -1.459
  147    HB3  ASN  21           HB3      ASN  21  -8.783  -7.037  -1.796
  148   HD21  ASN  21          HD21      ASN  21  -9.735  -8.919  -1.177
  149   HD22  ASN  21          HD22      ASN  21 -11.255  -8.988  -0.287
  150    HA   PHE   1           HA       PHE   1  10.315  -5.909  -5.233
  151    HD1  PHE   1           HD1      PHE   1   7.755  -6.391  -3.829
  152    HD2  PHE   1           HD2      PHE   1  11.104  -7.834  -1.521
  153    HE1  PHE   1           HE1      PHE   1   6.468  -8.425  -3.240
  154    HE2  PHE   1           HE2      PHE   1   9.813  -9.870  -0.938
  155    HZ   PHE   1           HZ       PHE   1   7.497 -10.173  -1.796
  156    H1   PHE   1           H1       PHE   1  11.403  -7.849  -4.349
  157    H2   PHE   1           H2       PHE   1  12.662  -6.949  -3.799
  158    H3   PHE   1           H3       PHE   1  12.388  -7.081  -5.405
  159    HB2  PHE   1           HB2      PHE   1  11.044  -5.526  -2.312
  160    HB3  PHE   1           HB3      PHE   1   9.640  -4.870  -3.137
  161    H    VAL   2           H        VAL   2  10.274  -3.565  -5.512
  162    HA   VAL   2           HA       VAL   2  12.786  -2.076  -5.130
  163    HB   VAL   2           HB       VAL   2  12.898  -1.410  -7.526
  164   HG11  VAL   2          HG11      VAL   2  14.135  -3.295  -8.339
  165   HG12  VAL   2          HG12      VAL   2  14.455  -3.094  -6.607
  166   HG13  VAL   2          HG13      VAL   2  13.369  -4.388  -7.174
  167   HG21  VAL   2          HG21      VAL   2  10.620  -2.056  -8.263
  168   HG22  VAL   2          HG22      VAL   2  11.874  -2.769  -9.280
  169   HG23  VAL   2          HG23      VAL   2  11.049  -3.769  -8.072
  170    H    ASN   3           H        ASN   3  12.637   0.143  -5.559
  171    HA   ASN   3           HA       ASN   3   9.951   1.359  -5.451
  172    HB2  ASN   3           HB2      ASN   3  12.763   2.502  -5.187
  173    HB3  ASN   3           HB3      ASN   3  11.319   3.488  -5.244
  174   HD21  ASN   3          HD21      ASN   3  10.312   3.971  -3.323
  175   HD22  ASN   3          HD22      ASN   3  10.629   3.121  -1.823
  176    H    GLN   4           H        GLN   4   9.113   2.701  -7.014
  177    HA   GLN   4           HA       GLN   4  10.577   3.309  -9.524
  178    HB2  GLN   4           HB2      GLN   4   8.034   1.616  -9.360
  179    HB3  GLN   4           HB3      GLN   4   8.626   2.375 -10.844
  180    HG2  GLN   4           HG2      GLN   4  10.723   1.010 -10.656
  181    HG3  GLN   4           HG3      GLN   4  10.026   0.182  -9.254
  182   HE21  GLN   4          HE21      GLN   4   9.395   0.836 -12.770
  183   HE22  GLN   4          HE22      GLN   4   8.506  -0.660 -12.999
  184    H    HIS   5           H        HIS   5   9.379   4.827 -10.888
  185    HA   HIS   5           HA       HIS   5   7.123   6.334  -9.651
  186    HD1  HIS   5           HD1      HIS   5   7.160   9.688 -10.728
  187    HD2  HIS   5           HD2      HIS   5  10.750   7.494 -10.553
  188    HE1  HIS   5           HE1      HIS   5   8.919  11.262  -9.760
  189    HB2  HIS   5           HB2      HIS   5   8.681   6.627 -12.254
  190    HB3  HIS   5           HB3      HIS   5   7.133   7.409 -11.987
  191    H    LEU   6           H        LEU   6   5.032   5.904 -10.297
  192    HA   LEU   6           HA       LEU   6   4.386   3.911 -12.385
  193    HG   LEU   6           HG       LEU   6   6.027   2.529 -10.139
  194    HB2  LEU   6           HB2      LEU   6   3.889   3.576  -9.392
  195    HB3  LEU   6           HB3      LEU   6   3.024   2.659 -10.627
  196   HD11  LEU   6          HD11      LEU   6   5.538   0.332  -9.123
  197   HD12  LEU   6          HD12      LEU   6   3.797   0.630  -9.328
  198   HD13  LEU   6          HD13      LEU   6   4.750   1.645  -8.232
  199   HD21  LEU   6          HD21      LEU   6   5.415   1.900 -12.475
  200   HD22  LEU   6          HD22      LEU   6   4.175   0.795 -11.857
  201   HD23  LEU   6          HD23      LEU   6   5.900   0.472 -11.557
  202    H    CYS   7           H        CYS   7   2.486   4.605 -13.365
  203    HA   CYS   7           HA       CYS   7   0.590   6.267 -11.848
  204    HB2  CYS   7           HB2      CYS   7   2.609   7.654 -12.732
  205    HB3  CYS   7           HB3      CYS   7   1.884   7.440 -14.322
  206    H    GLY   8           H        GLY   8  -1.304   6.780 -12.963
  207    HA2  GLY   8           HA2      GLY   8  -3.178   6.333 -14.262
  208    HA3  GLY   8           HA3      GLY   8  -2.038   5.976 -15.571
  209    H    SER   9           H        SER   9  -2.935   4.217 -16.485
  210    HA   SER   9           HA       SER   9  -4.148   1.985 -15.175
  211    HG   SER   9           HG       SER   9  -2.834   2.251 -19.041
  212    HB2  SER   9           HB2      SER   9  -3.679   0.856 -17.379
  213    HB3  SER   9           HB3      SER   9  -4.552   2.391 -17.498
  214    H    HIS  10           H        HIS  10  -0.717   2.556 -16.089
  215    HA   HIS  10           HA       HIS  10   0.175  -0.064 -15.439
  216    HD1  HIS  10           HD1      HIS  10   0.387  -0.292 -17.728
  217    HD2  HIS  10           HD2      HIS  10   2.680   3.244 -17.822
  218    HE1  HIS  10           HE1      HIS  10   0.783   0.245 -20.186
  219    HB2  HIS  10           HB2      HIS  10   1.690   2.562 -15.448
  220    HB3  HIS  10           HB3      HIS  10   2.427   0.961 -15.420
  221    H    LEU  11           H        LEU  11  -0.378   2.693 -13.272
  222    HA   LEU  11           HA       LEU  11   0.838   1.416 -10.953
  223    HG   LEU  11           HG       LEU  11  -1.347   2.670  -8.922
  224    HB2  LEU  11           HB2      LEU  11   0.469   3.842 -11.071
  225    HB3  LEU  11           HB3      LEU  11  -1.270   3.612 -11.201
  226   HD11  LEU  11          HD11      LEU  11   0.920   1.678  -8.721
  227   HD12  LEU  11          HD12      LEU  11   0.597   2.820  -7.414
  228   HD13  LEU  11          HD13      LEU  11   1.629   3.306  -8.768
  229   HD21  LEU  11          HD21      LEU  11  -0.872   4.741  -7.722
  230   HD22  LEU  11          HD22      LEU  11  -1.612   5.103  -9.294
  231   HD23  LEU  11          HD23      LEU  11   0.133   5.333  -9.070
  232    H    VAL  12           H        VAL  12  -2.464   1.513 -12.312
  233    HA   VAL  12           HA       VAL  12  -3.673  -0.085 -10.241
  234    HB   VAL  12           HB       VAL  12  -4.546   0.277 -13.134
  235   HG11  VAL  12          HG11      VAL  12  -6.092  -0.849 -10.753
  236   HG12  VAL  12          HG12      VAL  12  -6.806  -0.408 -12.316
  237   HG13  VAL  12          HG13      VAL  12  -5.640  -1.728 -12.230
  238   HG21  VAL  12          HG21      VAL  12  -5.515   1.638 -10.586
  239   HG22  VAL  12          HG22      VAL  12  -4.491   2.406 -11.807
  240   HG23  VAL  12          HG23      VAL  12  -6.138   1.919 -12.228
  241    H    GLU  13           H        GLU  13  -2.081  -0.981 -13.326
  242    HA   GLU  13           HA       GLU  13  -2.438  -3.810 -13.127
  243    HB2  GLU  13           HB2      GLU  13  -0.317  -2.086 -14.457
  244    HB3  GLU  13           HB3      GLU  13  -0.352  -3.836 -14.573
  245    HG2  GLU  13           HG2      GLU  13  -2.580  -3.781 -15.597
  246    HG3  GLU  13           HG3      GLU  13  -2.619  -2.022 -15.494
  247    H    ALA  14           H        ALA  14   0.319  -1.708 -12.000
  248    HA   ALA  14           HA       ALA  14   1.851  -3.819 -10.880
  249    HB1  ALA  14           HB1      ALA  14   2.713  -1.556 -11.329
  250    HB2  ALA  14           HB2      ALA  14   1.677  -0.881 -10.055
  251    HB3  ALA  14           HB3      ALA  14   2.983  -2.010  -9.634
  252    H    LEU  15           H        LEU  15  -0.636  -1.746  -9.316
  253    HA   LEU  15           HA       LEU  15  -0.563  -2.904  -6.728
  254    HG   LEU  15           HG       LEU  15  -3.802  -2.719  -6.361
  255    HB2  LEU  15           HB2      LEU  15  -1.660  -0.782  -7.330
  256    HB3  LEU  15           HB3      LEU  15  -2.822  -1.642  -8.334
  257   HD11  LEU  15          HD11      LEU  15  -3.170  -2.011  -4.071
  258   HD12  LEU  15          HD12      LEU  15  -1.797  -1.095  -4.730
  259   HD13  LEU  15          HD13      LEU  15  -1.848  -2.867  -4.855
  260   HD21  LEU  15          HD21      LEU  15  -3.490   0.303  -6.043
  261   HD22  LEU  15          HD22      LEU  15  -4.798  -0.681  -5.360
  262   HD23  LEU  15          HD23      LEU  15  -4.642  -0.508  -7.118
  263    H    TYR  16           H        TYR  16  -2.699  -3.776  -9.503
  264    HA   TYR  16           HA       TYR  16  -3.919  -6.035  -8.324
  265    HD1  TYR  16           HD1      TYR  16  -5.889  -7.280  -9.301
  266    HD2  TYR  16           HD2      TYR  16  -3.153  -7.204 -12.637
  267    HE1  TYR  16           HE1      TYR  16  -6.751  -9.485 -10.052
  268    HE2  TYR  16           HE2      TYR  16  -4.004  -9.422 -13.381
  269    HH   TYR  16           HH       TYR  16  -6.583 -11.177 -11.607
  270    HB2  TYR  16           HB2      TYR  16  -4.748  -5.042 -10.368
  271    HB3  TYR  16           HB3      TYR  16  -3.239  -5.370 -11.203
  272    H    LEU  17           H        LEU  17  -0.825  -5.884 -10.107
  273    HA   LEU  17           HA       LEU  17  -0.361  -8.738  -9.968
  274    HG   LEU  17           HG       LEU  17  -0.358  -7.053 -12.327
  275    HB2  LEU  17           HB2      LEU  17   1.428  -6.351 -10.594
  276    HB3  LEU  17           HB3      LEU  17   2.014  -8.011 -10.651
  277   HD11  LEU  17          HD11      LEU  17   1.678  -5.783 -12.910
  278   HD12  LEU  17          HD12      LEU  17   1.221  -6.905 -14.204
  279   HD13  LEU  17          HD13      LEU  17   2.575  -7.304 -13.120
  280   HD21  LEU  17          HD21      LEU  17   1.412  -9.534 -12.514
  281   HD22  LEU  17          HD22      LEU  17   0.162  -9.067 -13.682
  282   HD23  LEU  17          HD23      LEU  17  -0.305  -9.495 -12.037
  283    H    VAL  18           H        VAL  18   0.564  -6.094  -7.836
  284    HA   VAL  18           HA       VAL  18   2.202  -7.729  -6.078
  285    HB   VAL  18           HB       VAL  18   0.787  -5.073  -5.700
  286   HG11  VAL  18          HG11      VAL  18   0.743  -6.053  -3.458
  287   HG12  VAL  18          HG12      VAL  18   2.451  -6.538  -3.599
  288   HG13  VAL  18          HG13      VAL  18   1.991  -4.818  -3.540
  289   HG21  VAL  18          HG21      VAL  18   3.730  -5.896  -5.749
  290   HG22  VAL  18          HG22      VAL  18   2.867  -5.124  -7.082
  291   HG23  VAL  18          HG23      VAL  18   3.117  -4.244  -5.568
  292    H    CYS  19           H        CYS  19  -1.262  -6.793  -6.045
  293    HA   CYS  19           HA       CYS  19  -1.781  -8.231  -3.579
  294    HB2  CYS  19           HB2      CYS  19  -3.696  -7.124  -5.657
  295    HB3  CYS  19           HB3      CYS  19  -4.123  -7.684  -4.032
  296    H    GLY  20           H        GLY  20  -2.192  -9.107  -7.000
  297    HA2  GLY  20           HA2      GLY  20  -2.665 -11.132  -8.021
  298    HA3  GLY  20           HA3      GLY  20  -2.292 -11.930  -6.481
  299    H    GLU  21           H        GLU  21  -3.925 -13.303  -6.220
  300    HA   GLU  21           HA       GLU  21  -6.645 -12.918  -6.915
  301    HB2  GLU  21           HB2      GLU  21  -7.050 -14.952  -5.656
  302    HB3  GLU  21           HB3      GLU  21  -5.589 -15.095  -6.631
  303    HG2  GLU  21           HG2      GLU  21  -4.191 -14.716  -4.609
  304    HG3  GLU  21           HG3      GLU  21  -5.649 -14.545  -3.632
  305    H    ARG  22           H        ARG  22  -4.976 -11.672  -4.148
  306    HA   ARG  22           HA       ARG  22  -7.058 -11.612  -2.216
  307    HE   ARG  22           HE       ARG  22  -2.287 -10.514  -2.365
  308    HB2  ARG  22           HB2      ARG  22  -4.714  -9.700  -2.625
  309    HB3  ARG  22           HB3      ARG  22  -5.740  -9.746  -1.195
  310    HG2  ARG  22           HG2      ARG  22  -5.093 -12.070  -0.733
  311    HG3  ARG  22           HG3      ARG  22  -4.052 -12.114  -2.156
  312    HD2  ARG  22           HD2      ARG  22  -3.686 -10.104   0.105
  313    HD3  ARG  22           HD3      ARG  22  -2.936 -11.708   0.104
  314   HH11  ARG  22          HH11      ARG  22  -1.490  -9.941   1.079
  315   HH12  ARG  22          HH12      ARG  22   0.091  -9.309   0.631
  316   HH21  ARG  22          HH21      ARG  22  -0.141  -9.662  -2.714
  317   HH22  ARG  22          HH22      ARG  22   0.752  -9.133  -1.294
  318    H    GLY  23           H        GLY  23  -6.484  -9.476  -4.968
  319    HA2  GLY  23           HA2      GLY  23  -7.843  -7.798  -5.892
  320    HA3  GLY  23           HA3      GLY  23  -8.982  -7.956  -4.540
  321    H    PHE  24           H        PHE  24  -8.717  -5.470  -5.084
  322    HA   PHE  24           HA       PHE  24  -6.969  -4.255  -3.061
  323    HD1  PHE  24           HD2      PHE  24  -7.046  -1.440  -6.172
  324    HD2  PHE  24           HD1      PHE  24  -6.302  -5.596  -7.063
  325    HE1  PHE  24           HE2      PHE  24  -7.725  -1.060  -8.533
  326    HE2  PHE  24           HE1      PHE  24  -7.028  -5.204  -9.414
  327    HZ   PHE  24           HZ       PHE  24  -7.719  -2.945 -10.147
  328    HB2  PHE  24           HB2      PHE  24  -5.742  -2.880  -4.619
  329    HB3  PHE  24           HB3      PHE  24  -5.469  -4.569  -4.988
  330    H    PHE  25           H        PHE  25  -7.157  -1.948  -2.905
  331    HA   PHE  25           HA       PHE  25  -9.707  -0.763  -3.910
  332    HD1  PHE  25           HD1      PHE  25 -11.639   0.291  -3.069
  333    HD2  PHE  25           HD2      PHE  25  -8.922   1.319   0.122
  334    HE1  PHE  25           HE1      PHE  25 -12.958   2.338  -2.601
  335    HE2  PHE  25           HE2      PHE  25 -10.263   3.346   0.605
  336    HZ   PHE  25           HZ       PHE  25 -12.281   3.863  -0.757
  337    HB2  PHE  25           HB2      PHE  25 -10.009  -1.453  -1.586
  338    HB3  PHE  25           HB3      PHE  25  -8.528  -0.630  -1.109
  339    H    TYR  26           H        TYR  26  -8.865   0.488  -5.465
  340    HA   TYR  26           HA       TYR  26  -6.372   1.994  -5.180
  341    HD1  TYR  26           HD2      TYR  26  -4.747   2.095  -7.291
  342    HD2  TYR  26           HD1      TYR  26  -8.467   3.785  -8.656
  343    HE1  TYR  26           HE2      TYR  26  -3.493   3.665  -8.749
  344    HE2  TYR  26           HE1      TYR  26  -7.216   5.371 -10.112
  345    HH   TYR  26           HH       TYR  26  -3.638   5.361 -10.315
  346    HB2  TYR  26           HB2      TYR  26  -7.022   0.847  -7.244
  347    HB3  TYR  26           HB3      TYR  26  -8.485   1.810  -7.364
  348    H    THR  27           H        THR  27  -6.164   4.057  -4.528
  349    HA   THR  27           HA       THR  27  -8.599   5.772  -4.145
  350    HB   THR  27           HB       THR  27  -7.507   6.546  -2.056
  351    HG1  THR  27           HG1      THR  27  -5.417   5.857  -2.538
  352   HG21  THR  27          HG21      THR  27  -8.065   3.552  -2.144
  353   HG22  THR  27          HG22      THR  27  -9.300   4.827  -2.035
  354   HG23  THR  27          HG23      THR  27  -8.123   4.613  -0.719
  355    HA   PRO  28           HA       PRO  28  -5.756   8.654  -6.310
  356    HB2  PRO  28           HB2      PRO  28  -7.355   9.410  -8.356
  357    HB3  PRO  28           HB3      PRO  28  -6.483   7.852  -8.410
  358    HG2  PRO  28           HG2      PRO  28  -9.365   8.351  -7.596
  359    HG3  PRO  28           HG3      PRO  28  -8.734   7.117  -8.732
  360    HD2  PRO  28           HD2      PRO  28  -9.277   6.599  -6.080
  361    HD3  PRO  28           HD3      PRO  28  -7.988   5.753  -6.983
  362    H    LYS  29           H        LYS  29  -6.104  11.018  -6.547
  363    HA   LYS  29           HA       LYS  29  -8.036  12.154  -4.636
  364    HB2  LYS  29           HB2      LYS  29  -5.843  13.303  -6.403
  365    HB3  LYS  29           HB3      LYS  29  -7.029  14.339  -5.590
  366    HG2  LYS  29           HG2      LYS  29  -6.416  13.377  -3.393
  367    HG3  LYS  29           HG3      LYS  29  -5.183  12.368  -4.169
  368    HD2  LYS  29           HD2      LYS  29  -3.926  14.327  -4.872
  369    HD3  LYS  29           HD3      LYS  29  -5.233  15.414  -4.362
  370    HE2  LYS  29           HE2      LYS  29  -4.957  14.692  -2.016
  371    HE3  LYS  29           HE3      LYS  29  -3.652  13.598  -2.492
  372    HZ1  LYS  29           HZ1      LYS  29  -2.856  15.758  -1.636
  373    HZ2  LYS  29           HZ2      LYS  29  -3.550  16.533  -2.899
  374    HZ3  LYS  29           HZ3      LYS  29  -2.323  15.457  -3.144
  375    H    THR  30           H        THR  30  -9.614  13.595  -5.095
  376    HA   THR  30           HA       THR  30 -11.245  14.782  -6.129
  377    HB   THR  30           HB       THR  30 -10.284  13.854  -8.855
  378    HG1  THR  30           HG1      THR  30  -9.193  15.819  -8.832
  379   HG21  THR  30          HG21      THR  30 -11.431  15.911  -9.606
  380   HG22  THR  30          HG22      THR  30 -12.013  16.208  -7.954
  381   HG23  THR  30          HG23      THR  30 -12.580  14.791  -8.865
  Start of MODEL   45
    1    H1   GLY   1           H1       GLY   1  -1.712   9.246  -1.142
    2    H2   GLY   1           H2       GLY   1  -0.560   8.459  -0.272
    3    H3   GLY   1           H3       GLY   1  -2.154   8.065  -0.075
    4    HA2  GLY   1           HA2      GLY   1  -0.654   7.749  -2.569
    5    HA3  GLY   1           HA3      GLY   1  -0.926   6.431  -1.417
    6    H    ILE   2           H        ILE   2  -3.628   6.257  -4.016
    7    HA   ILE   2           HA       ILE   2  -0.601   6.188  -3.937
    8    HB   ILE   2           HB       ILE   2  -0.761   4.353  -5.554
    9   HG12  ILE   2          HG12      ILE   2  -3.741   4.246  -4.888
   10   HG13  ILE   2          HG13      ILE   2  -3.054   4.769  -6.434
   11   HG21  ILE   2          HG21      ILE   2  -0.423   4.045  -3.097
   12   HG22  ILE   2          HG22      ILE   2  -2.180   3.800  -2.931
   13   HG23  ILE   2          HG23      ILE   2  -1.198   2.658  -3.868
   14   HD11  ILE   2          HD11      ILE   2  -1.984   2.500  -6.663
   15   HD12  ILE   2          HD12      ILE   2  -2.941   1.995  -5.244
   16   HD13  ILE   2          HD13      ILE   2  -3.752   2.545  -6.717
   17    H    VAL   3           H        VAL   3  -3.335   7.093  -6.052
   18    HA   VAL   3           HA       VAL   3  -1.765   7.211  -8.407
   19    HB   VAL   3           HB       VAL   3  -4.340   8.635  -7.700
   20   HG11  VAL   3          HG11      VAL   3  -3.394   9.908  -9.568
   21   HG12  VAL   3          HG12      VAL   3  -3.041   8.404 -10.454
   22   HG13  VAL   3          HG13      VAL   3  -4.715   8.914 -10.151
   23   HG21  VAL   3          HG21      VAL   3  -5.391   6.878  -9.063
   24   HG22  VAL   3          HG22      VAL   3  -3.794   6.182  -9.414
   25   HG23  VAL   3          HG23      VAL   3  -4.444   6.143  -7.770
   26    H    GLU   4           H        GLU   4  -2.322   9.754  -5.980
   27    HA   GLU   4           HA       GLU   4  -0.910  11.780  -7.551
   28    HB2  GLU   4           HB2      GLU   4  -1.702  13.300  -5.975
   29    HB3  GLU   4           HB3      GLU   4  -3.002  12.129  -6.059
   30    HG2  GLU   4           HG2      GLU   4  -0.955  12.538  -3.853
   31    HG3  GLU   4           HG3      GLU   4  -2.689  12.772  -3.776
   32    H    GLN   5           H        GLN   5   0.151   9.259  -5.662
   33    HA   GLN   5           HA       GLN   5   2.548  10.718  -4.596
   34    HB2  GLN   5           HB2      GLN   5   1.118   9.549  -2.966
   35    HB3  GLN   5           HB3      GLN   5   1.291   8.033  -3.859
   36    HG2  GLN   5           HG2      GLN   5   3.704   8.007  -3.388
   37    HG3  GLN   5           HG3      GLN   5   3.592   9.567  -2.572
   38   HE21  GLN   5          HE21      GLN   5   4.719   7.694  -1.022
   39   HE22  GLN   5          HE22      GLN   5   3.562   7.062   0.142
   40    H    CYS   6           H        CYS   6   1.624   7.566  -6.090
   41    HA   CYS   6           HA       CYS   6   4.291   6.831  -6.850
   42    HB2  CYS   6           HB2      CYS   6   1.514   5.946  -7.751
   43    HB3  CYS   6           HB3      CYS   6   2.995   5.170  -8.274
   44    H    CYS   7           H        CYS   7   1.873   8.762  -8.535
   45    HA   CYS   7           HA       CYS   7   3.279   8.512 -11.108
   46    HB2  CYS   7           HB2      CYS   7   0.773   8.862 -10.736
   47    HB3  CYS   7           HB3      CYS   7   1.149  10.543 -10.354
   48    H    THR   8           H        THR   8   2.931  10.928  -8.565
   49    HA   THR   8           HA       THR   8   4.465  13.041  -9.763
   50    HB   THR   8           HB       THR   8   3.645  12.648  -6.858
   51    HG1  THR   8           HG1      THR   8   1.702  13.236  -7.415
   52   HG21  THR   8          HG21      THR   8   3.403  15.139  -6.902
   53   HG22  THR   8          HG22      THR   8   4.124  15.163  -8.528
   54   HG23  THR   8          HG23      THR   8   5.081  14.611  -7.130
   55    H    SER   9           H        SER   9   5.300  10.470  -7.433
   56    HA   SER   9           HA       SER   9   8.176  11.161  -7.681
   57    HG   SER   9           HG       SER   9   8.887  11.761  -4.325
   58    HB2  SER   9           HB2      SER   9   7.166  12.388  -5.702
   59    HB3  SER   9           HB3      SER   9   6.849  10.802  -4.978
   60    H    ILE  10           H        ILE  10   9.253   9.381  -5.977
   61    HA   ILE  10           HA       ILE  10   8.635   6.770  -7.217
   62    HB   ILE  10           HB       ILE  10  10.718   7.637  -5.171
   63   HG12  ILE  10          HG12      ILE  10  10.893   6.789  -8.106
   64   HG13  ILE  10          HG13      ILE  10  11.069   8.435  -7.491
   65   HG21  ILE  10          HG21      ILE  10  11.694   5.371  -5.378
   66   HG22  ILE  10          HG22      ILE  10  10.090   5.281  -4.706
   67   HG23  ILE  10          HG23      ILE  10  10.336   4.884  -6.420
   68   HD11  ILE  10          HD11      ILE  10  12.985   6.116  -7.057
   69   HD12  ILE  10          HD12      ILE  10  13.256   7.608  -7.969
   70   HD13  ILE  10          HD13      ILE  10  13.100   7.675  -6.201
   71    H    CYS  11           H        CYS  11   7.484   5.159  -6.392
   72    HA   CYS  11           HA       CYS  11   6.959   5.054  -3.475
   73    HB2  CYS  11           HB2      CYS  11   4.703   4.545  -3.689
   74    HB3  CYS  11           HB3      CYS  11   4.931   5.908  -4.761
   75    H    SER  12           H        SER  12   6.089   2.752  -2.950
   76    HA   SER  12           HA       SER  12   8.012   0.819  -4.229
   77    HG   SER  12           HG       SER  12   9.245   1.888  -0.959
   78    HB2  SER  12           HB2      SER  12   7.173   0.889  -1.323
   79    HB3  SER  12           HB3      SER  12   8.513  -0.003  -2.053
   80    H    LEU  13           H        LEU  13   7.338  -1.407  -4.375
   81    HA   LEU  13           HA       LEU  13   4.539  -2.001  -4.548
   82    HG   LEU  13           HG       LEU  13   7.305  -2.753  -6.248
   83    HB2  LEU  13           HB2      LEU  13   6.920  -3.849  -4.117
   84    HB3  LEU  13           HB3      LEU  13   5.314  -4.351  -4.597
   85   HD11  LEU  13          HD11      LEU  13   7.129  -4.678  -7.770
   86   HD12  LEU  13          HD12      LEU  13   5.936  -5.438  -6.698
   87   HD13  LEU  13          HD13      LEU  13   7.611  -5.209  -6.149
   88   HD21  LEU  13          HD21      LEU  13   5.646  -2.774  -8.095
   89   HD22  LEU  13          HD22      LEU  13   5.136  -1.751  -6.751
   90   HD23  LEU  13          HD23      LEU  13   4.409  -3.361  -6.969
   91    H    TYR  14           H        TYR  14   6.819  -2.288  -1.860
   92    HA   TYR  14           HA       TYR  14   5.155  -3.592   0.010
   93    HD1  TYR  14           HD1      TYR  14   6.388  -4.693   2.051
   94    HD2  TYR  14           HD2      TYR  14   7.022  -0.452   2.510
   95    HE1  TYR  14           HE1      TYR  14   6.127  -4.927   4.513
   96    HE2  TYR  14           HE2      TYR  14   6.758  -0.680   4.974
   97    HH   TYR  14           HH       TYR  14   6.114  -3.849   6.537
   98    HB2  TYR  14           HB2      TYR  14   7.569  -3.171   0.264
   99    HB3  TYR  14           HB3      TYR  14   7.284  -1.441   0.378
  100    H    GLN  15           H        GLN  15   5.005  -0.290  -1.165
  101    HA   GLN  15           HA       GLN  15   3.116   0.602   0.966
  102    HB2  GLN  15           HB2      GLN  15   4.222   2.045  -1.487
  103    HB3  GLN  15           HB3      GLN  15   3.105   2.737  -0.326
  104    HG2  GLN  15           HG2      GLN  15   5.925   1.770   0.331
  105    HG3  GLN  15           HG3      GLN  15   5.469   3.438   0.037
  106   HE21  GLN  15          HE21      GLN  15   6.756   2.814   2.422
  107   HE22  GLN  15          HE22      GLN  15   5.591   2.937   3.732
  108    H    LEU  16           H        LEU  16   3.096  -0.334  -2.530
  109    HA   LEU  16           HA       LEU  16   0.278   0.095  -2.888
  110    HG   LEU  16           HG       LEU  16   2.973   0.153  -4.806
  111    HB2  LEU  16           HB2      LEU  16   2.068  -2.019  -4.170
  112    HB3  LEU  16           HB3      LEU  16   0.465  -1.566  -4.714
  113   HD11  LEU  16          HD11      LEU  16   2.674  -1.639  -6.541
  114   HD12  LEU  16          HD12      LEU  16   2.653  -0.006  -7.224
  115   HD13  LEU  16          HD13      LEU  16   1.127  -0.886  -6.999
  116   HD21  LEU  16          HD21      LEU  16   1.119   1.671  -4.283
  117   HD22  LEU  16          HD22      LEU  16   0.112   0.925  -5.547
  118   HD23  LEU  16          HD23      LEU  16   1.572   1.839  -5.979
  119    H    GLU  17           H        GLU  17   1.998  -2.581  -1.356
  120    HA   GLU  17           HA       GLU  17  -0.110  -4.401  -1.105
  121    HB2  GLU  17           HB2      GLU  17   2.342  -4.699  -0.540
  122    HB3  GLU  17           HB3      GLU  17   2.012  -3.910   1.009
  123    HG2  GLU  17           HG2      GLU  17   0.377  -5.696   1.557
  124    HG3  GLU  17           HG3      GLU  17   0.656  -6.442  -0.022
  125    H    ASN  18           H        ASN  18   0.312  -1.379   0.692
  126    HA   ASN  18           HA       ASN  18  -1.538  -1.952   2.836
  127    HB2  ASN  18           HB2      ASN  18   0.173  -0.160   2.899
  128    HB3  ASN  18           HB3      ASN  18  -0.631   0.667   1.572
  129   HD21  ASN  18          HD21      ASN  18  -2.147   2.194   2.061
  130   HD22  ASN  18          HD22      ASN  18  -2.870   2.381   3.654
  131    H    TYR  19           H        TYR  19  -2.000  -1.135  -0.530
  132    HA   TYR  19           HA       TYR  19  -4.823  -0.296  -0.154
  133    HD1  TYR  19           HD2      TYR  19  -1.275   1.088  -0.931
  134    HD2  TYR  19           HD1      TYR  19  -5.297   2.500  -1.517
  135    HE1  TYR  19           HE2      TYR  19  -0.660   3.236   0.154
  136    HE2  TYR  19           HE1      TYR  19  -4.686   4.674  -0.460
  137    HH   TYR  19           HH       TYR  19  -1.406   5.278   0.887
  138    HB2  TYR  19           HB2      TYR  19  -2.872  -0.075  -2.481
  139    HB3  TYR  19           HB3      TYR  19  -4.552   0.419  -2.526
  140    H    CYS  20           H        CYS  20  -3.346  -3.204  -0.501
  141    HA   CYS  20           HA       CYS  20  -5.194  -4.554  -2.291
  142    HB2  CYS  20           HB2      CYS  20  -3.814  -5.653   0.171
  143    HB3  CYS  20           HB3      CYS  20  -4.545  -6.574  -1.135
  144    H    ASN  21           H        ASN  21  -6.971  -5.849  -1.715
  145    HA   ASN  21           HA       ASN  21  -8.942  -4.718   0.055
  146    HB2  ASN  21           HB2      ASN  21  -9.548  -5.789  -2.057
  147    HB3  ASN  21           HB3      ASN  21  -8.721  -7.268  -1.578
  148   HD21  ASN  21          HD21      ASN  21 -10.338  -8.736  -1.595
  149   HD22  ASN  21          HD22      ASN  21 -11.813  -8.580  -0.634
  150    HA   PHE   1           HA       PHE   1  10.631  -5.598  -3.811
  151    HD1  PHE   1           HD1      PHE   1   7.889  -5.774  -3.023
  152    HD2  PHE   1           HD2      PHE   1  10.332  -4.462   0.292
  153    HE1  PHE   1           HE1      PHE   1   6.617  -7.249  -1.495
  154    HE2  PHE   1           HE2      PHE   1   9.053  -5.949   1.814
  155    HZ   PHE   1           HZ       PHE   1   7.190  -7.342   0.917
  156    H1   PHE   1           H1       PHE   1  12.583  -4.712  -1.793
  157    H2   PHE   1           H2       PHE   1  12.818  -5.900  -2.888
  158    H3   PHE   1           H3       PHE   1  11.695  -6.091  -1.713
  159    HB2  PHE   1           HB2      PHE   1  10.426  -3.291  -1.831
  160    HB3  PHE   1           HB3      PHE   1   9.276  -3.646  -3.106
  161    H    VAL   2           H        VAL   2  10.305  -4.140  -5.585
  162    HA   VAL   2           HA       VAL   2  12.583  -2.321  -6.176
  163    HB   VAL   2           HB       VAL   2  11.932  -4.016  -7.866
  164   HG11  VAL   2          HG11      VAL   2   9.989  -3.701  -9.301
  165   HG12  VAL   2          HG12      VAL   2   9.463  -3.971  -7.637
  166   HG13  VAL   2          HG13      VAL   2   9.430  -2.332  -8.324
  167   HG21  VAL   2          HG21      VAL   2  12.159  -2.541  -9.783
  168   HG22  VAL   2          HG22      VAL   2  11.668  -1.138  -8.820
  169   HG23  VAL   2          HG23      VAL   2  13.192  -1.983  -8.460
  170    H    ASN   3           H        ASN   3  12.316  -0.135  -6.549
  171    HA   ASN   3           HA       ASN   3   9.689   1.093  -5.798
  172    HB2  ASN   3           HB2      ASN   3  12.475   2.181  -5.252
  173    HB3  ASN   3           HB3      ASN   3  10.947   2.887  -4.748
  174   HD21  ASN   3          HD21      ASN   3  12.933   2.476  -2.890
  175   HD22  ASN   3          HD22      ASN   3  12.460   1.167  -1.813
  176    H    GLN   4           H        GLN   4   8.912   2.696  -7.155
  177    HA   GLN   4           HA       GLN   4  10.506   3.625  -9.487
  178    HB2  GLN   4           HB2      GLN   4   8.038   1.837  -9.725
  179    HB3  GLN   4           HB3      GLN   4   8.802   2.692 -11.062
  180    HG2  GLN   4           HG2      GLN   4  10.879   1.338 -10.694
  181    HG3  GLN   4           HG3      GLN   4  10.022   0.421  -9.445
  182   HE21  GLN   4          HE21      GLN   4   9.980   1.196 -12.966
  183   HE22  GLN   4          HE22      GLN   4   9.084  -0.256 -13.394
  184    H    HIS   5           H        HIS   5   9.231   5.094 -10.891
  185    HA   HIS   5           HA       HIS   5   6.865   6.416  -9.669
  186    HD1  HIS   5           HD1      HIS   5   6.693   9.869 -11.103
  187    HD2  HIS   5           HD2      HIS   5  10.278   7.817 -10.256
  188    HE1  HIS   5           HE1      HIS   5   8.301  11.585 -10.140
  189    HB2  HIS   5           HB2      HIS   5   8.426   6.847 -12.251
  190    HB3  HIS   5           HB3      HIS   5   6.803   7.475 -12.022
  191    H    LEU   6           H        LEU   6   4.825   5.860 -10.320
  192    HA   LEU   6           HA       LEU   6   4.345   3.876 -12.472
  193    HG   LEU   6           HG       LEU   6   5.922   2.473 -10.341
  194    HB2  LEU   6           HB2      LEU   6   3.779   3.499  -9.503
  195    HB3  LEU   6           HB3      LEU   6   2.907   2.604 -10.745
  196   HD11  LEU   6          HD11      LEU   6   4.772   1.623  -8.369
  197   HD12  LEU   6          HD12      LEU   6   5.473   0.278  -9.288
  198   HD13  LEU   6          HD13      LEU   6   3.731   0.603  -9.383
  199   HD21  LEU   6          HD21      LEU   6   5.742   0.418 -11.730
  200   HD22  LEU   6          HD22      LEU   6   5.234   1.847 -12.635
  201   HD23  LEU   6          HD23      LEU   6   4.011   0.741 -11.980
  202    H    CYS   7           H        CYS   7   2.504   4.437 -13.541
  203    HA   CYS   7           HA       CYS   7   0.418   6.012 -12.184
  204    HB2  CYS   7           HB2      CYS   7   2.335   7.477 -13.120
  205    HB3  CYS   7           HB3      CYS   7   1.683   7.099 -14.710
  206    H    GLY   8           H        GLY   8  -1.484   6.222 -13.367
  207    HA2  GLY   8           HA2      GLY   8  -3.293   5.337 -14.542
  208    HA3  GLY   8           HA3      GLY   8  -2.159   5.338 -15.897
  209    H    SER   9           H        SER   9  -2.418   3.501 -16.955
  210    HA   SER   9           HA       SER   9  -3.399   1.052 -15.976
  211    HG   SER   9           HG       SER   9  -3.555   1.685 -19.501
  212    HB2  SER   9           HB2      SER   9  -1.532   1.481 -18.341
  213    HB3  SER   9           HB3      SER   9  -2.633   0.119 -18.089
  214    H    HIS  10           H        HIS  10   0.001   2.209 -16.056
  215    HA   HIS  10           HA       HIS  10   1.073  -0.432 -15.359
  216    HD1  HIS  10           HD1      HIS  10   2.643  -1.252 -17.045
  217    HD2  HIS  10           HD2      HIS  10   2.764   2.856 -18.011
  218    HE1  HIS  10           HE1      HIS  10   3.128  -1.108 -19.537
  219    HB2  HIS  10           HB2      HIS  10   2.266   2.353 -15.502
  220    HB3  HIS  10           HB3      HIS  10   3.180   0.929 -14.992
  221    H    LEU  11           H        LEU  11  -0.051   2.384 -13.487
  222    HA   LEU  11           HA       LEU  11   0.904   1.288 -10.946
  223    HG   LEU  11           HG       LEU  11  -1.556   2.575  -9.286
  224    HB2  LEU  11           HB2      LEU  11   0.463   3.685 -11.259
  225    HB3  LEU  11           HB3      LEU  11  -1.228   3.371 -11.604
  226   HD11  LEU  11          HD11      LEU  11   0.667   1.668  -8.732
  227   HD12  LEU  11          HD12      LEU  11   0.235   2.948  -7.586
  228   HD13  LEU  11          HD13      LEU  11   1.384   3.290  -8.889
  229   HD21  LEU  11          HD21      LEU  11  -0.145   5.275  -9.429
  230   HD22  LEU  11          HD22      LEU  11  -1.305   4.758  -8.189
  231   HD23  LEU  11          HD23      LEU  11  -1.838   4.974  -9.864
  232    H    VAL  12           H        VAL  12  -2.200   1.188 -12.740
  233    HA   VAL  12           HA       VAL  12  -3.566  -0.525 -10.903
  234    HB   VAL  12           HB       VAL  12  -3.867  -0.326 -13.927
  235   HG11  VAL  12          HG11      VAL  12  -4.818  -2.483 -13.268
  236   HG12  VAL  12          HG12      VAL  12  -5.692  -1.722 -11.912
  237   HG13  VAL  12          HG13      VAL  12  -6.131  -1.357 -13.599
  238   HG21  VAL  12          HG21      VAL  12  -5.862   1.015 -13.423
  239   HG22  VAL  12          HG22      VAL  12  -5.578   0.828 -11.684
  240   HG23  VAL  12          HG23      VAL  12  -4.434   1.750 -12.687
  241    H    GLU  13           H        GLU  13  -1.426  -1.367 -13.639
  242    HA   GLU  13           HA       GLU  13  -1.546  -4.186 -13.463
  243    HB2  GLU  13           HB2      GLU  13  -0.636  -2.913 -15.344
  244    HB3  GLU  13           HB3      GLU  13   0.661  -2.294 -14.328
  245    HG2  GLU  13           HG2      GLU  13   1.651  -4.523 -14.155
  246    HG3  GLU  13           HG3      GLU  13   0.298  -5.211 -15.069
  247    H    ALA  14           H        ALA  14   0.793  -1.905 -11.921
  248    HA   ALA  14           HA       ALA  14   2.294  -3.942 -10.564
  249    HB1  ALA  14           HB1      ALA  14   3.140  -1.661 -11.001
  250    HB2  ALA  14           HB2      ALA  14   1.917  -0.987  -9.902
  251    HB3  ALA  14           HB3      ALA  14   3.207  -2.040  -9.271
  252    H    LEU  15           H        LEU  15  -0.437  -1.910  -9.435
  253    HA   LEU  15           HA       LEU  15  -0.614  -2.966  -6.802
  254    HG   LEU  15           HG       LEU  15  -3.722  -2.802  -6.577
  255    HB2  LEU  15           HB2      LEU  15  -1.656  -0.867  -7.696
  256    HB3  LEU  15           HB3      LEU  15  -2.759  -1.848  -8.662
  257   HD11  LEU  15          HD11      LEU  15  -1.831  -2.517  -5.007
  258   HD12  LEU  15          HD12      LEU  15  -3.272  -1.695  -4.409
  259   HD13  LEU  15          HD13      LEU  15  -1.959  -0.751  -5.154
  260   HD21  LEU  15          HD21      LEU  15  -3.679   0.236  -6.781
  261   HD22  LEU  15          HD22      LEU  15  -4.925  -0.704  -5.942
  262   HD23  LEU  15          HD23      LEU  15  -4.723  -0.848  -7.706
  263    H    TYR  16           H        TYR  16  -2.288  -4.012  -9.825
  264    HA   TYR  16           HA       TYR  16  -3.627  -6.267  -8.737
  265    HD1  TYR  16           HD1      TYR  16  -5.226  -7.838  -9.979
  266    HD2  TYR  16           HD2      TYR  16  -2.050  -7.420 -12.875
  267    HE1  TYR  16           HE1      TYR  16  -5.680 -10.133 -10.802
  268    HE2  TYR  16           HE2      TYR  16  -2.497  -9.719 -13.694
  269    HH   TYR  16           HH       TYR  16  -5.084 -11.788 -12.299
  270    HB2  TYR  16           HB2      TYR  16  -4.211  -5.460 -10.912
  271    HB3  TYR  16           HB3      TYR  16  -2.570  -5.616 -11.500
  272    H    LEU  17           H        LEU  17  -0.286  -6.043 -10.025
  273    HA   LEU  17           HA       LEU  17   0.267  -8.851  -9.677
  274    HG   LEU  17           HG       LEU  17   0.721  -7.297 -12.043
  275    HB2  LEU  17           HB2      LEU  17   2.040  -6.403 -10.016
  276    HB3  LEU  17           HB3      LEU  17   2.713  -8.017  -9.847
  277   HD11  LEU  17          HD11      LEU  17   2.671  -7.141 -13.535
  278   HD12  LEU  17          HD12      LEU  17   3.769  -7.394 -12.154
  279   HD13  LEU  17          HD13      LEU  17   2.771  -5.925 -12.246
  280   HD21  LEU  17          HD21      LEU  17   1.618  -9.325 -13.136
  281   HD22  LEU  17          HD22      LEU  17   0.841  -9.714 -11.596
  282   HD23  LEU  17          HD23      LEU  17   2.620  -9.661 -11.710
  283    H    VAL  18           H        VAL  18   0.594  -6.144  -7.466
  284    HA   VAL  18           HA       VAL  18   1.921  -7.723  -5.380
  285    HB   VAL  18           HB       VAL  18   0.554  -5.009  -5.340
  286   HG11  VAL  18          HG11      VAL  18   0.371  -5.876  -3.054
  287   HG12  VAL  18          HG12      VAL  18   2.078  -6.369  -3.071
  288   HG13  VAL  18          HG13      VAL  18   1.635  -4.653  -3.127
  289   HG21  VAL  18          HG21      VAL  18   2.753  -5.193  -6.578
  290   HG22  VAL  18          HG22      VAL  18   2.849  -4.155  -5.151
  291   HG23  VAL  18          HG23      VAL  18   3.493  -5.816  -5.099
  292    H    CYS  19           H        CYS  19  -1.438  -6.774  -6.077
  293    HA   CYS  19           HA       CYS  19  -2.385  -8.072  -3.576
  294    HB2  CYS  19           HB2      CYS  19  -3.713  -6.142  -5.502
  295    HB3  CYS  19           HB3      CYS  19  -4.379  -6.691  -3.977
  296    H    GLY  20           H        GLY  20  -2.112  -9.230  -6.632
  297    HA2  GLY  20           HA2      GLY  20  -4.597  -9.625  -7.650
  298    HA3  GLY  20           HA3      GLY  20  -3.243 -10.700  -8.002
  299    H    GLU  21           H        GLU  21  -3.300 -11.703  -5.124
  300    HA   GLU  21           HA       GLU  21  -5.326 -13.793  -5.418
  301    HB2  GLU  21           HB2      GLU  21  -3.039 -14.097  -4.447
  302    HB3  GLU  21           HB3      GLU  21  -3.528 -13.119  -3.056
  303    HG2  GLU  21           HG2      GLU  21  -5.219 -14.789  -2.436
  304    HG3  GLU  21           HG3      GLU  21  -4.907 -15.696  -3.924
  305    H    ARG  22           H        ARG  22  -5.173 -10.695  -3.780
  306    HA   ARG  22           HA       ARG  22  -7.487 -11.251  -1.990
  307    HE   ARG  22           HE       ARG  22  -5.969  -8.448   0.892
  308    HB2  ARG  22           HB2      ARG  22  -5.442  -8.990  -2.164
  309    HB3  ARG  22           HB3      ARG  22  -6.796  -9.024  -1.032
  310    HG2  ARG  22           HG2      ARG  22  -5.948 -10.981   0.099
  311    HG3  ARG  22           HG3      ARG  22  -4.692 -11.215  -1.125
  312    HD2  ARG  22           HD2      ARG  22  -3.712 -10.261   0.865
  313    HD3  ARG  22           HD3      ARG  22  -3.604  -9.108  -0.482
  314   HH11  ARG  22          HH11      ARG  22  -2.519  -8.454   1.748
  315   HH12  ARG  22          HH12      ARG  22  -2.757  -7.200   2.931
  316   HH21  ARG  22          HH21      ARG  22  -6.183  -6.951   2.327
  317   HH22  ARG  22          HH22      ARG  22  -4.848  -6.329   3.287
  318    H    GLY  23           H        GLY  23  -6.513  -9.159  -4.678
  319    HA2  GLY  23           HA2      GLY  23  -7.904  -7.750  -6.056
  320    HA3  GLY  23           HA3      GLY  23  -9.181  -7.794  -4.821
  321    H    PHE  24           H        PHE  24  -8.565  -5.347  -5.682
  322    HA   PHE  24           HA       PHE  24  -7.058  -4.064  -3.460
  323    HD1  PHE  24           HD2      PHE  24  -7.011  -1.717  -6.925
  324    HD2  PHE  24           HD1      PHE  24  -5.791  -5.846  -7.148
  325    HE1  PHE  24           HE2      PHE  24  -7.397  -1.699  -9.373
  326    HE2  PHE  24           HE1      PHE  24  -6.212  -5.825  -9.589
  327    HZ   PHE  24           HZ       PHE  24  -6.994  -3.752 -10.711
  328    HB2  PHE  24           HB2      PHE  24  -5.652  -2.847  -5.067
  329    HB3  PHE  24           HB3      PHE  24  -5.383  -4.564  -5.135
  330    H    PHE  25           H        PHE  25  -7.053  -1.735  -3.522
  331    HA   PHE  25           HA       PHE  25  -9.424  -0.471  -4.836
  332    HD1  PHE  25           HD2      PHE  25 -11.270   0.902  -4.202
  333    HD2  PHE  25           HD1      PHE  25  -8.446   2.136  -1.187
  334    HE1  PHE  25           HE2      PHE  25 -12.366   3.124  -4.085
  335    HE2  PHE  25           HE1      PHE  25  -9.573   4.343  -1.040
  336    HZ   PHE  25           HZ       PHE  25 -11.531   4.847  -2.499
  337    HB2  PHE  25           HB2      PHE  25  -9.835  -0.751  -2.451
  338    HB3  PHE  25           HB3      PHE  25  -8.287  -0.029  -2.057
  339    H    TYR  26           H        TYR  26  -8.388   0.361  -6.564
  340    HA   TYR  26           HA       TYR  26  -5.933   1.955  -6.439
  341    HD1  TYR  26           HD2      TYR  26  -4.387   1.705  -9.018
  342    HD2  TYR  26           HD1      TYR  26  -8.173   3.700  -9.580
  343    HE1  TYR  26           HE2      TYR  26  -3.344   3.265 -10.651
  344    HE2  TYR  26           HE1      TYR  26  -7.125   5.254 -11.202
  345    HH   TYR  26           HH       TYR  26  -5.197   5.842 -12.311
  346    HB2  TYR  26           HB2      TYR  26  -6.538   0.637  -8.409
  347    HB3  TYR  26           HB3      TYR  26  -8.060   1.495  -8.570
  348    H    THR  27           H        THR  27  -5.792   4.163  -6.063
  349    HA   THR  27           HA       THR  27  -8.140   5.901  -6.159
  350    HB   THR  27           HB       THR  27  -8.538   4.516  -4.158
  351    HG1  THR  27           HG1      THR  27  -8.985   6.342  -2.881
  352   HG21  THR  27          HG21      THR  27  -6.149   4.252  -3.391
  353   HG22  THR  27          HG22      THR  27  -7.255   4.815  -2.130
  354   HG23  THR  27          HG23      THR  27  -6.155   5.957  -2.912
  355    HA   PRO  28           HA       PRO  28  -4.950   9.109  -5.461
  356    HB2  PRO  28           HB2      PRO  28  -6.428  11.298  -6.017
  357    HB3  PRO  28           HB3      PRO  28  -5.855  10.232  -7.327
  358    HG2  PRO  28           HG2      PRO  28  -8.605  10.322  -6.075
  359    HG3  PRO  28           HG3      PRO  28  -8.167  10.155  -7.797
  360    HD2  PRO  28           HD2      PRO  28  -8.810   8.038  -6.091
  361    HD3  PRO  28           HD3      PRO  28  -7.845   7.870  -7.581
  362    H    LYS  29           H        LYS  29  -4.543  10.122  -3.514
  363    HA   LYS  29           HA       LYS  29  -6.345  10.024  -1.275
  364    HB2  LYS  29           HB2      LYS  29  -3.890  10.169  -1.100
  365    HB3  LYS  29           HB3      LYS  29  -3.918  11.761  -1.871
  366    HG2  LYS  29           HG2      LYS  29  -5.217  12.666   0.071
  367    HG3  LYS  29           HG3      LYS  29  -5.147  11.073   0.826
  368    HD2  LYS  29           HD2      LYS  29  -3.461  12.589   1.772
  369    HD3  LYS  29           HD3      LYS  29  -2.713  11.215   0.982
  370    HE2  LYS  29           HE2      LYS  29  -1.454  13.236   0.508
  371    HE3  LYS  29           HE3      LYS  29  -2.133  12.588  -0.985
  372    HZ1  LYS  29           HZ1      LYS  29  -2.368  15.014  -0.748
  373    HZ2  LYS  29           HZ2      LYS  29  -3.344  14.828   0.545
  374    HZ3  LYS  29           HZ3      LYS  29  -3.814  14.311  -0.944
  375    H    THR  30           H        THR  30  -5.561  12.659  -3.529
  376    HA   THR  30           HA       THR  30  -7.178  14.623  -2.067
  377    HB   THR  30           HB       THR  30  -5.498  15.000  -4.567
  378    HG1  THR  30           HG1      THR  30  -3.887  15.578  -3.123
  379   HG21  THR  30          HG21      THR  30  -6.423  16.945  -2.396
  380   HG22  THR  30          HG22      THR  30  -7.011  16.906  -4.069
  381   HG23  THR  30          HG23      THR  30  -5.326  17.339  -3.739
  Start of MODEL   46
    1    H1   GLY   1           H1       GLY   1  -2.970  11.900  -2.662
    2    H2   GLY   1           H2       GLY   1  -4.607  11.909  -2.475
    3    H3   GLY   1           H3       GLY   1  -3.951  11.542  -3.921
    4    HA2  GLY   1           HA2      GLY   1  -3.565   9.908  -1.501
    5    HA3  GLY   1           HA3      GLY   1  -4.764   9.563  -2.767
    6    H    ILE   2           H        ILE   2  -3.242   7.527  -2.456
    7    HA   ILE   2           HA       ILE   2  -0.615   7.440  -3.392
    8    HB   ILE   2           HB       ILE   2  -1.481   5.715  -2.082
    9   HG12  ILE   2          HG12      ILE   2   0.298   5.193  -3.875
   10   HG13  ILE   2          HG13      ILE   2  -0.397   3.919  -2.896
   11   HG21  ILE   2          HG21      ILE   2  -3.438   5.037  -4.311
   12   HG22  ILE   2          HG22      ILE   2  -3.119   3.997  -2.912
   13   HG23  ILE   2          HG23      ILE   2  -3.808   5.595  -2.666
   14   HD11  ILE   2          HD11      ILE   2  -0.128   3.285  -5.274
   15   HD12  ILE   2          HD12      ILE   2  -1.782   3.104  -4.691
   16   HD13  ILE   2          HD13      ILE   2  -1.347   4.481  -5.726
   17    H    VAL   3           H        VAL   3  -3.512   7.218  -5.465
   18    HA   VAL   3           HA       VAL   3  -2.068   6.490  -7.824
   19    HB   VAL   3           HB       VAL   3  -4.647   8.043  -7.539
   20   HG11  VAL   3          HG11      VAL   3  -3.457   6.901 -10.105
   21   HG12  VAL   3          HG12      VAL   3  -5.138   7.447  -9.910
   22   HG13  VAL   3          HG13      VAL   3  -3.823   8.609  -9.763
   23   HG21  VAL   3          HG21      VAL   3  -5.673   5.886  -8.207
   24   HG22  VAL   3          HG22      VAL   3  -4.068   5.135  -8.305
   25   HG23  VAL   3          HG23      VAL   3  -4.701   5.678  -6.739
   26    H    GLU   4           H        GLU   4  -2.436   9.690  -6.361
   27    HA   GLU   4           HA       GLU   4  -1.009  11.011  -8.598
   28    HB2  GLU   4           HB2      GLU   4  -2.676  12.273  -7.323
   29    HB3  GLU   4           HB3      GLU   4  -1.747  12.051  -5.834
   30    HG2  GLU   4           HG2      GLU   4   0.136  13.324  -6.823
   31    HG3  GLU   4           HG3      GLU   4  -0.736  13.441  -8.351
   32    H    GLN   5           H        GLN   5  -0.339  10.044  -5.176
   33    HA   GLN   5           HA       GLN   5   2.240  11.124  -5.074
   34    HB2  GLN   5           HB2      GLN   5   0.758  10.405  -3.164
   35    HB3  GLN   5           HB3      GLN   5   1.206   8.725  -3.510
   36    HG2  GLN   5           HG2      GLN   5   3.577   9.251  -3.058
   37    HG3  GLN   5           HG3      GLN   5   3.161  10.949  -2.785
   38   HE21  GLN   5          HE21      GLN   5   4.368  10.368  -0.663
   39   HE22  GLN   5          HE22      GLN   5   3.346   9.731   0.627
   40    H    CYS   6           H        CYS   6   1.360   7.747  -6.032
   41    HA   CYS   6           HA       CYS   6   4.092   6.852  -6.343
   42    HB2  CYS   6           HB2      CYS   6   1.384   6.002  -7.396
   43    HB3  CYS   6           HB3      CYS   6   2.837   5.278  -8.052
   44    H    CYS   7           H        CYS   7   2.131   8.918  -8.312
   45    HA   CYS   7           HA       CYS   7   3.787   8.462 -10.733
   46    HB2  CYS   7           HB2      CYS   7   1.291   8.505 -10.781
   47    HB3  CYS   7           HB3      CYS   7   1.336  10.204 -10.317
   48    H    THR   8           H        THR   8   3.029  11.119  -8.425
   49    HA   THR   8           HA       THR   8   4.880  12.984  -9.756
   50    HB   THR   8           HB       THR   8   4.256  14.523  -7.937
   51    HG1  THR   8           HG1      THR   8   2.678  13.854  -6.457
   52   HG21  THR   8          HG21      THR   8   1.910  14.822  -8.568
   53   HG22  THR   8          HG22      THR   8   1.833  13.163  -9.190
   54   HG23  THR   8          HG23      THR   8   2.865  14.364  -9.993
   55    H    SER   9           H        SER   9   4.847  11.058  -6.778
   56    HA   SER   9           HA       SER   9   7.760  11.637  -6.354
   57    HG   SER   9           HG       SER   9   5.530  12.849  -4.860
   58    HB2  SER   9           HB2      SER   9   5.706  10.553  -4.377
   59    HB3  SER   9           HB3      SER   9   7.416  10.862  -4.059
   60    H    ILE  10           H        ILE  10   8.430   9.377  -4.937
   61    HA   ILE  10           HA       ILE  10   8.059   7.143  -6.894
   62    HB   ILE  10           HB       ILE  10  10.351   8.214  -6.531
   63   HG12  ILE  10          HG12      ILE  10  10.154   5.221  -6.071
   64   HG13  ILE  10          HG13      ILE  10   9.911   6.054  -7.615
   65   HG21  ILE  10          HG21      ILE  10  10.203   8.378  -4.023
   66   HG22  ILE  10          HG22      ILE  10  10.373   6.612  -3.938
   67   HG23  ILE  10          HG23      ILE  10  11.679   7.619  -4.600
   68   HD11  ILE  10          HD11      ILE  10  12.511   6.053  -6.056
   69   HD12  ILE  10          HD12      ILE  10  12.153   5.140  -7.532
   70   HD13  ILE  10          HD13      ILE  10  12.202   6.915  -7.578
   71    H    CYS  11           H        CYS  11   7.522   5.041  -6.099
   72    HA   CYS  11           HA       CYS  11   6.889   4.826  -3.204
   73    HB2  CYS  11           HB2      CYS  11   4.617   4.264  -3.503
   74    HB3  CYS  11           HB3      CYS  11   4.883   5.736  -4.405
   75    H    SER  12           H        SER  12   6.213   2.654  -2.529
   76    HA   SER  12           HA       SER  12   8.035   0.658  -3.827
   77    HG   SER  12           HG       SER  12   9.281   1.688  -0.584
   78    HB2  SER  12           HB2      SER  12   7.169   0.864  -0.924
   79    HB3  SER  12           HB3      SER  12   8.396  -0.218  -1.606
   80    H    LEU  13           H        LEU  13   7.433  -1.567  -3.922
   81    HA   LEU  13           HA       LEU  13   4.670  -2.167  -4.366
   82    HG   LEU  13           HG       LEU  13   7.712  -2.898  -5.694
   83    HB2  LEU  13           HB2      LEU  13   6.978  -4.047  -3.714
   84    HB3  LEU  13           HB3      LEU  13   5.448  -4.489  -4.433
   85   HD11  LEU  13          HD11      LEU  13   7.835  -5.386  -5.671
   86   HD12  LEU  13          HD12      LEU  13   7.675  -4.744  -7.318
   87   HD13  LEU  13          HD13      LEU  13   6.275  -5.464  -6.514
   88   HD21  LEU  13          HD21      LEU  13   4.936  -3.327  -6.884
   89   HD22  LEU  13          HD22      LEU  13   6.344  -2.704  -7.760
   90   HD23  LEU  13          HD23      LEU  13   5.644  -1.761  -6.434
   91    H    TYR  14           H        TYR  14   6.706  -2.523  -1.501
   92    HA   TYR  14           HA       TYR  14   4.889  -3.880   0.199
   93    HD1  TYR  14           HD2      TYR  14   6.674  -5.476   1.247
   94    HD2  TYR  14           HD1      TYR  14   8.970  -2.126  -0.211
   95    HE1  TYR  14           HE2      TYR  14   8.472  -7.028   0.511
   96    HE2  TYR  14           HE1      TYR  14  10.755  -3.680  -0.974
   97    HH   TYR  14           HH       TYR  14  10.520  -7.240  -0.514
   98    HB2  TYR  14           HB2      TYR  14   6.932  -1.730   0.903
   99    HB3  TYR  14           HB3      TYR  14   6.283  -2.938   1.990
  100    H    GLN  15           H        GLN  15   5.013  -0.505  -0.756
  101    HA   GLN  15           HA       GLN  15   2.928   0.357   1.170
  102    HB2  GLN  15           HB2      GLN  15   4.338   1.836  -1.097
  103    HB3  GLN  15           HB3      GLN  15   3.136   2.547  -0.032
  104    HG2  GLN  15           HG2      GLN  15   5.821   1.418   0.892
  105    HG3  GLN  15           HG3      GLN  15   5.449   3.119   0.639
  106   HE21  GLN  15          HE21      GLN  15   3.620   4.069   2.041
  107   HE22  GLN  15          HE22      GLN  15   3.444   3.385   3.649
  108    H    LEU  16           H        LEU  16   3.158  -0.561  -2.307
  109    HA   LEU  16           HA       LEU  16   0.395   0.002  -2.905
  110    HG   LEU  16           HG       LEU  16   3.236  -0.108  -4.633
  111    HB2  LEU  16           HB2      LEU  16   2.169  -2.215  -4.021
  112    HB3  LEU  16           HB3      LEU  16   0.641  -1.689  -4.683
  113   HD11  LEU  16          HD11      LEU  16   3.078  -0.309  -7.066
  114   HD12  LEU  16          HD12      LEU  16   1.527  -1.164  -6.933
  115   HD13  LEU  16          HD13      LEU  16   3.020  -1.919  -6.335
  116   HD21  LEU  16          HD21      LEU  16   1.432   1.500  -4.289
  117   HD22  LEU  16          HD22      LEU  16   0.480   0.766  -5.601
  118   HD23  LEU  16          HD23      LEU  16   2.004   1.602  -5.957
  119    H    GLU  17           H        GLU  17   1.958  -2.860  -1.416
  120    HA   GLU  17           HA       GLU  17  -0.312  -4.480  -1.357
  121    HB2  GLU  17           HB2      GLU  17   1.992  -5.219  -0.895
  122    HB3  GLU  17           HB3      GLU  17   1.918  -4.473   0.705
  123    HG2  GLU  17           HG2      GLU  17   0.232  -5.997   1.451
  124    HG3  GLU  17           HG3      GLU  17  -0.159  -6.503  -0.197
  125    H    ASN  18           H        ASN  18   0.358  -1.747   0.745
  126    HA   ASN  18           HA       ASN  18  -1.488  -2.310   2.854
  127    HB2  ASN  18           HB2      ASN  18   0.281  -0.518   2.816
  128    HB3  ASN  18           HB3      ASN  18  -0.711   0.386   1.669
  129   HD21  ASN  18          HD21      ASN  18  -0.846  -1.098   4.972
  130   HD22  ASN  18          HD22      ASN  18  -1.919   0.133   5.618
  131    H    TYR  19           H        TYR  19  -2.084  -1.402  -0.484
  132    HA   TYR  19           HA       TYR  19  -4.906  -0.636   0.034
  133    HD1  TYR  19           HD2      TYR  19  -5.511   1.927  -0.801
  134    HD2  TYR  19           HD1      TYR  19  -1.367   0.936  -1.466
  135    HE1  TYR  19           HE2      TYR  19  -4.830   4.101   0.198
  136    HE2  TYR  19           HE1      TYR  19  -0.683   3.092  -0.443
  137    HH   TYR  19           HH       TYR  19  -1.379   5.043   0.556
  138    HB2  TYR  19           HB2      TYR  19  -3.111  -0.449  -2.411
  139    HB3  TYR  19           HB3      TYR  19  -4.787   0.048  -2.357
  140    H    CYS  20           H        CYS  20  -3.360  -3.549  -0.436
  141    HA   CYS  20           HA       CYS  20  -5.271  -4.840  -2.222
  142    HB2  CYS  20           HB2      CYS  20  -3.587  -6.065  -0.026
  143    HB3  CYS  20           HB3      CYS  20  -4.425  -6.928  -1.317
  144    H    ASN  21           H        ASN  21  -6.954  -6.290  -1.619
  145    HA   ASN  21           HA       ASN  21  -8.718  -5.317   0.476
  146    HB2  ASN  21           HB2      ASN  21  -9.522  -6.160  -1.731
  147    HB3  ASN  21           HB3      ASN  21  -8.878  -7.756  -1.348
  148   HD21  ASN  21          HD21      ASN  21 -11.186  -5.296  -0.105
  149   HD22  ASN  21          HD22      ASN  21 -12.305  -6.486   0.548
  150    HA   PHE   1           HA       PHE   1  12.952  -5.938  -6.308
  151    HD1  PHE   1           HD2      PHE   1  12.734  -6.635  -8.896
  152    HD2  PHE   1           HD1      PHE   1   9.693  -3.690  -8.045
  153    HE1  PHE   1           HE2      PHE   1  13.205  -5.511 -11.061
  154    HE2  PHE   1           HE1      PHE   1  10.161  -2.585 -10.206
  155    HZ   PHE   1           HZ       PHE   1  11.924  -3.484 -11.720
  156    H1   PHE   1           H1       PHE   1  12.465  -6.317  -3.998
  157    H2   PHE   1           H2       PHE   1  11.725  -7.454  -4.919
  158    H3   PHE   1           H3       PHE   1  10.856  -6.223  -4.265
  159    HB2  PHE   1           HB2      PHE   1  10.853  -6.988  -7.149
  160    HB3  PHE   1           HB3      PHE   1   9.950  -5.591  -6.602
  161    H    VAL   2           H        VAL   2  12.901  -3.692  -7.321
  162    HA   VAL   2           HA       VAL   2  13.301  -1.804  -5.156
  163    HB   VAL   2           HB       VAL   2  14.078  -0.233  -6.886
  164   HG11  VAL   2          HG11      VAL   2  16.096  -1.457  -7.487
  165   HG12  VAL   2          HG12      VAL   2  15.614  -1.846  -5.831
  166   HG13  VAL   2          HG13      VAL   2  15.307  -3.007  -7.139
  167   HG21  VAL   2          HG21      VAL   2  14.335  -0.898  -9.217
  168   HG22  VAL   2          HG22      VAL   2  13.546  -2.454  -8.910
  169   HG23  VAL   2          HG23      VAL   2  12.621  -0.944  -8.784
  170    H    ASN   3           H        ASN   3  12.557   0.316  -5.035
  171    HA   ASN   3           HA       ASN   3   9.716   0.771  -5.538
  172    HB2  ASN   3           HB2      ASN   3  10.123   2.879  -4.300
  173    HB3  ASN   3           HB3      ASN   3  10.650   1.445  -3.421
  174   HD21  ASN   3          HD21      ASN   3  12.862   1.244  -2.842
  175   HD22  ASN   3          HD22      ASN   3  14.035   2.489  -3.227
  176    H    GLN   4           H        GLN   4   8.863   2.546  -6.768
  177    HA   GLN   4           HA       GLN   4  10.506   3.454  -9.075
  178    HB2  GLN   4           HB2      GLN   4   8.293   1.353  -9.106
  179    HB3  GLN   4           HB3      GLN   4   8.701   2.268 -10.545
  180    HG2  GLN   4           HG2      GLN   4  10.684   0.498  -9.044
  181    HG3  GLN   4           HG3      GLN   4   9.755   0.004 -10.422
  182   HE21  GLN   4          HE21      GLN   4  12.267  -0.360 -10.993
  183   HE22  GLN   4          HE22      GLN   4  12.948   0.963 -11.929
  184    H    HIS   5           H        HIS   5   9.280   4.719 -10.626
  185    HA   HIS   5           HA       HIS   5   7.012   6.270  -9.478
  186    HD1  HIS   5           HD1      HIS   5   7.703   9.029  -9.145
  187    HD2  HIS   5           HD2      HIS   5  10.975   7.405 -11.227
  188    HE1  HIS   5           HE1      HIS   5   9.731  10.350  -8.403
  189    HB2  HIS   5           HB2      HIS   5   8.611   6.593 -12.053
  190    HB3  HIS   5           HB3      HIS   5   7.257   7.605 -11.566
  191    H    LEU   6           H        LEU   6   4.976   5.831 -10.081
  192    HA   LEU   6           HA       LEU   6   4.368   3.995 -12.359
  193    HG   LEU   6           HG       LEU   6   5.866   2.559 -10.109
  194    HB2  LEU   6           HB2      LEU   6   3.686   3.629  -9.413
  195    HB3  LEU   6           HB3      LEU   6   2.886   2.744 -10.706
  196   HD11  LEU   6          HD11      LEU   6   5.298   0.362  -9.108
  197   HD12  LEU   6          HD12      LEU   6   3.570   0.714  -9.333
  198   HD13  LEU   6          HD13      LEU   6   4.550   1.704  -8.230
  199   HD21  LEU   6          HD21      LEU   6   4.027   0.854 -11.868
  200   HD22  LEU   6          HD22      LEU   6   5.737   0.514 -11.521
  201   HD23  LEU   6          HD23      LEU   6   5.295   1.952 -12.453
  202    H    CYS   7           H        CYS   7   2.601   4.664 -13.446
  203    HA   CYS   7           HA       CYS   7   0.698   6.589 -12.193
  204    HB2  CYS   7           HB2      CYS   7   1.917   6.726 -14.974
  205    HB3  CYS   7           HB3      CYS   7   0.728   7.844 -14.331
  206    H    GLY   8           H        GLY   8  -1.399   6.349 -12.781
  207    HA2  GLY   8           HA2      GLY   8  -3.355   5.528 -13.739
  208    HA3  GLY   8           HA3      GLY   8  -2.407   5.602 -15.223
  209    H    SER   9           H        SER   9  -2.754   3.816 -16.371
  210    HA   SER   9           HA       SER   9  -3.768   1.356 -15.387
  211    HG   SER   9           HG       SER   9  -4.335   2.239 -18.827
  212    HB2  SER   9           HB2      SER   9  -2.215   1.857 -17.954
  213    HB3  SER   9           HB3      SER   9  -3.333   0.517 -17.626
  214    H    HIS  10           H        HIS  10  -0.394   2.405 -15.884
  215    HA   HIS  10           HA       HIS  10   0.786  -0.226 -15.537
  216    HD1  HIS  10           HD1      HIS  10   2.291   3.924 -17.323
  217    HD2  HIS  10           HD2      HIS  10   1.473  -0.156 -17.955
  218    HE1  HIS  10           HE1      HIS  10   2.032   3.627 -19.841
  219    HB2  HIS  10           HB2      HIS  10   1.996   2.543 -15.143
  220    HB3  HIS  10           HB3      HIS  10   2.871   1.034 -15.410
  221    H    LEU  11           H        LEU  11   0.039   2.488 -13.327
  222    HA   LEU  11           HA       LEU  11   1.110   1.241 -10.942
  223    HG   LEU  11           HG       LEU  11  -1.347   2.499  -9.144
  224    HB2  LEU  11           HB2      LEU  11   0.709   3.649 -11.073
  225    HB3  LEU  11           HB3      LEU  11  -0.998   3.402 -11.400
  226   HD11  LEU  11          HD11      LEU  11   1.578   3.165  -8.624
  227   HD12  LEU  11          HD12      LEU  11   0.897   1.518  -8.681
  228   HD13  LEU  11          HD13      LEU  11   0.382   2.649  -7.428
  229   HD21  LEU  11          HD21      LEU  11   0.100   5.171  -9.251
  230   HD22  LEU  11          HD22      LEU  11  -0.963   4.622  -7.945
  231   HD23  LEU  11          HD23      LEU  11  -1.625   4.890  -9.566
  232    H    VAL  12           H        VAL  12  -2.187   1.357 -12.354
  233    HA   VAL  12           HA       VAL  12  -3.390  -0.299 -10.359
  234    HB   VAL  12           HB       VAL  12  -4.175   0.254 -13.239
  235   HG11  VAL  12          HG11      VAL  12  -5.230  -1.890 -12.675
  236   HG12  VAL  12          HG12      VAL  12  -5.793  -1.232 -11.120
  237   HG13  VAL  12          HG13      VAL  12  -6.442  -0.611 -12.652
  238   HG21  VAL  12          HG21      VAL  12  -5.881   1.694 -12.180
  239   HG22  VAL  12          HG22      VAL  12  -5.319   1.208 -10.567
  240   HG23  VAL  12          HG23      VAL  12  -4.274   2.171 -11.623
  241    H    GLU  13           H        GLU  13  -1.708  -1.215 -13.386
  242    HA   GLU  13           HA       GLU  13  -2.101  -4.037 -13.134
  243    HB2  GLU  13           HB2      GLU  13  -1.345  -2.836 -15.174
  244    HB3  GLU  13           HB3      GLU  13   0.221  -2.541 -14.415
  245    HG2  GLU  13           HG2      GLU  13   0.642  -4.963 -14.280
  246    HG3  GLU  13           HG3      GLU  13  -0.980  -5.303 -14.892
  247    H    ALA  14           H        ALA  14   0.634  -1.942 -12.007
  248    HA   ALA  14           HA       ALA  14   2.145  -4.015 -10.773
  249    HB1  ALA  14           HB1      ALA  14   3.007  -1.748 -11.251
  250    HB2  ALA  14           HB2      ALA  14   1.915  -1.061 -10.025
  251    HB3  ALA  14           HB3      ALA  14   3.224  -2.160  -9.540
  252    H    LEU  15           H        LEU  15  -0.390  -1.921  -9.343
  253    HA   LEU  15           HA       LEU  15  -0.405  -3.044  -6.735
  254    HG   LEU  15           HG       LEU  15  -3.667  -2.805  -6.488
  255    HB2  LEU  15           HB2      LEU  15  -1.457  -0.915  -7.383
  256    HB3  LEU  15           HB3      LEU  15  -2.601  -1.760  -8.418
  257   HD11  LEU  15          HD11      LEU  15  -3.113  -2.155  -4.177
  258   HD12  LEU  15          HD12      LEU  15  -1.720  -1.218  -4.753
  259   HD13  LEU  15          HD13      LEU  15  -1.748  -2.987  -4.923
  260   HD21  LEU  15          HD21      LEU  15  -4.650  -0.747  -5.516
  261   HD22  LEU  15          HD22      LEU  15  -4.421  -0.581  -7.271
  262   HD23  LEU  15          HD23      LEU  15  -3.293   0.209  -6.155
  263    H    TYR  16           H        TYR  16  -2.418  -3.929  -9.601
  264    HA   TYR  16           HA       TYR  16  -3.731  -6.151  -8.434
  265    HD1  TYR  16           HD2      TYR  16  -5.612  -7.463  -9.446
  266    HD2  TYR  16           HD1      TYR  16  -2.715  -7.490 -12.646
  267    HE1  TYR  16           HE2      TYR  16  -6.374  -9.733 -10.111
  268    HE2  TYR  16           HE1      TYR  16  -3.480  -9.750 -13.322
  269    HH   TYR  16           HH       TYR  16  -4.915 -11.496 -12.882
  270    HB2  TYR  16           HB2      TYR  16  -4.438  -5.242 -10.566
  271    HB3  TYR  16           HB3      TYR  16  -2.884  -5.596 -11.298
  272    H    LEU  17           H        LEU  17  -0.530  -6.063 -10.026
  273    HA   LEU  17           HA       LEU  17  -0.079  -8.920  -9.755
  274    HG   LEU  17           HG       LEU  17   0.139  -7.283 -12.186
  275    HB2  LEU  17           HB2      LEU  17   1.759  -6.559 -10.332
  276    HB3  LEU  17           HB3      LEU  17   2.335  -8.219 -10.286
  277   HD11  LEU  17          HD11      LEU  17   2.274  -6.124 -12.651
  278   HD12  LEU  17          HD12      LEU  17   1.892  -7.300 -13.918
  279   HD13  LEU  17          HD13      LEU  17   3.122  -7.687 -12.698
  280   HD21  LEU  17          HD21      LEU  17   1.806  -9.837 -12.117
  281   HD22  LEU  17          HD22      LEU  17   0.665  -9.372 -13.398
  282   HD23  LEU  17          HD23      LEU  17   0.069  -9.708 -11.772
  283    H    VAL  18           H        VAL  18   0.792  -6.175  -7.713
  284    HA   VAL  18           HA       VAL  18   2.272  -7.696  -5.745
  285    HB   VAL  18           HB       VAL  18   0.755  -5.073  -5.595
  286   HG11  VAL  18          HG11      VAL  18   0.599  -5.967  -3.317
  287   HG12  VAL  18          HG12      VAL  18   2.331  -6.374  -3.329
  288   HG13  VAL  18          HG13      VAL  18   1.795  -4.682  -3.376
  289   HG21  VAL  18          HG21      VAL  18   3.721  -5.774  -5.394
  290   HG22  VAL  18          HG22      VAL  18   2.939  -5.121  -6.835
  291   HG23  VAL  18          HG23      VAL  18   3.037  -4.139  -5.366
  292    H    CYS  19           H        CYS  19  -1.207  -6.839  -5.973
  293    HA   CYS  19           HA       CYS  19  -1.855  -8.229  -3.513
  294    HB2  CYS  19           HB2      CYS  19  -3.657  -7.164  -5.717
  295    HB3  CYS  19           HB3      CYS  19  -4.190  -7.709  -4.121
  296    H    GLY  20           H        GLY  20  -1.929  -9.215  -6.909
  297    HA2  GLY  20           HA2      GLY  20  -2.345 -11.279  -7.896
  298    HA3  GLY  20           HA3      GLY  20  -2.231 -12.017  -6.287
  299    H    GLU  21           H        GLU  21  -3.974 -13.310  -6.271
  300    HA   GLU  21           HA       GLU  21  -6.523 -12.692  -7.390
  301    HB2  GLU  21           HB2      GLU  21  -5.474 -14.948  -7.004
  302    HB3  GLU  21           HB3      GLU  21  -5.888 -14.798  -5.289
  303    HG2  GLU  21           HG2      GLU  21  -8.270 -14.767  -5.840
  304    HG3  GLU  21           HG3      GLU  21  -7.912 -14.630  -7.568
  305    H    ARG  22           H        ARG  22  -5.181 -11.670  -4.369
  306    HA   ARG  22           HA       ARG  22  -7.448 -11.554  -2.672
  307    HE   ARG  22           HE       ARG  22  -2.695 -10.541  -2.353
  308    HB2  ARG  22           HB2      ARG  22  -5.056  -9.669  -2.878
  309    HB3  ARG  22           HB3      ARG  22  -6.248  -9.645  -1.577
  310    HG2  ARG  22           HG2      ARG  22  -5.692 -11.923  -0.915
  311    HG3  ARG  22           HG3      ARG  22  -4.513 -12.079  -2.226
  312    HD2  ARG  22           HD2      ARG  22  -4.330  -9.926  -0.079
  313    HD3  ARG  22           HD3      ARG  22  -3.623 -11.533   0.107
  314   HH11  ARG  22          HH11      ARG  22  -2.315  -9.635   1.077
  315   HH12  ARG  22          HH12      ARG  22  -0.622  -9.219   0.807
  316   HH21  ARG  22          HH21      ARG  22  -0.438 -10.024  -2.474
  317   HH22  ARG  22          HH22      ARG  22   0.332  -9.405  -1.018
  318    H    GLY  23           H        GLY  23  -6.414  -9.277  -5.219
  319    HA2  GLY  23           HA2      GLY  23  -7.634  -7.542  -6.265
  320    HA3  GLY  23           HA3      GLY  23  -8.991  -7.808  -5.150
  321    H    PHE  24           H        PHE  24  -8.671  -5.324  -5.421
  322    HA   PHE  24           HA       PHE  24  -7.201  -4.199  -3.133
  323    HD1  PHE  24           HD1      PHE  24  -6.987  -1.430  -6.312
  324    HD2  PHE  24           HD2      PHE  24  -5.961  -5.569  -6.978
  325    HE1  PHE  24           HE1      PHE  24  -7.407  -1.148  -8.735
  326    HE2  PHE  24           HE2      PHE  24  -6.441  -5.284  -9.399
  327    HZ   PHE  24           HZ       PHE  24  -7.152  -3.083 -10.282
  328    HB2  PHE  24           HB2      PHE  24  -5.787  -2.788  -4.573
  329    HB3  PHE  24           HB3      PHE  24  -5.470  -4.483  -4.846
  330    H    PHE  25           H        PHE  25  -7.354  -1.869  -2.985
  331    HA   PHE  25           HA       PHE  25  -9.121  -0.368  -4.724
  332    HD1  PHE  25           HD1      PHE  25 -11.825   0.356  -4.787
  333    HD2  PHE  25           HD2      PHE  25 -10.045   1.609  -1.066
  334    HE1  PHE  25           HE1      PHE  25 -13.041   2.509  -4.932
  335    HE2  PHE  25           HE2      PHE  25 -11.258   3.769  -1.216
  336    HZ   PHE  25           HZ       PHE  25 -12.756   4.227  -3.154
  337    HB2  PHE  25           HB2      PHE  25 -10.780  -1.287  -3.143
  338    HB3  PHE  25           HB3      PHE  25  -9.841  -0.679  -1.785
  339    H    TYR  26           H        TYR  26  -7.761   1.230  -5.204
  340    HA   TYR  26           HA       TYR  26  -5.779   2.297  -3.335
  341    HD1  TYR  26           HD1      TYR  26  -7.249   4.957  -6.213
  342    HD2  TYR  26           HD2      TYR  26  -6.272   0.928  -7.393
  343    HE1  TYR  26           HE1      TYR  26  -8.691   5.202  -8.222
  344    HE2  TYR  26           HE2      TYR  26  -7.698   1.171  -9.410
  345    HH   TYR  26           HH       TYR  26  -9.097   2.547 -10.612
  346    HB2  TYR  26           HB2      TYR  26  -5.162   3.648  -5.329
  347    HB3  TYR  26           HB3      TYR  26  -5.106   1.919  -5.582
  348    H    THR  27           H        THR  27  -5.536   4.585  -2.914
  349    HA   THR  27           HA       THR  27  -8.038   6.185  -2.809
  350    HB   THR  27           HB       THR  27  -5.314   6.924  -1.715
  351    HG1  THR  27           HG1      THR  27  -6.367   6.361   0.268
  352   HG21  THR  27          HG21      THR  27  -6.589   8.596  -0.433
  353   HG22  THR  27          HG22      THR  27  -8.097   8.074  -1.216
  354   HG23  THR  27          HG23      THR  27  -6.825   8.872  -2.162
  355    HA   PRO  28           HA       PRO  28  -6.667   7.693  -6.776
  356    HB2  PRO  28           HB2      PRO  28  -8.701   9.396  -7.427
  357    HB3  PRO  28           HB3      PRO  28  -8.911   7.628  -7.270
  358    HG2  PRO  28           HG2      PRO  28  -9.457   9.745  -5.176
  359    HG3  PRO  28           HG3      PRO  28 -10.563   8.454  -5.758
  360    HD2  PRO  28           HD2      PRO  28  -9.052   8.156  -3.510
  361    HD3  PRO  28           HD3      PRO  28  -9.369   6.785  -4.616
  362    H    LYS  29           H        LYS  29  -6.928  10.243  -7.816
  363    HA   LYS  29           HA       LYS  29  -4.727  11.632  -6.596
  364    HB2  LYS  29           HB2      LYS  29  -4.904  13.115  -8.509
  365    HB3  LYS  29           HB3      LYS  29  -5.028  11.432  -9.009
  366    HG2  LYS  29           HG2      LYS  29  -7.494  11.658  -9.215
  367    HG3  LYS  29           HG3      LYS  29  -7.387  13.339  -8.671
  368    HD2  LYS  29           HD2      LYS  29  -5.969  13.886 -10.648
  369    HD3  LYS  29           HD3      LYS  29  -6.037  12.194 -11.151
  370    HE2  LYS  29           HE2      LYS  29  -7.608  13.384 -12.496
  371    HE3  LYS  29           HE3      LYS  29  -8.521  12.366 -11.379
  372    HZ1  LYS  29           HZ1      LYS  29  -8.047  15.279 -11.033
  373    HZ2  LYS  29           HZ2      LYS  29  -8.921  14.341 -10.013
  374    HZ3  LYS  29           HZ3      LYS  29  -9.443  14.605 -11.539
  375    H    THR  30           H        THR  30  -7.497  11.593  -5.158
  376    HA   THR  30           HA       THR  30  -8.275  14.359  -4.738
  377    HB   THR  30           HB       THR  30  -9.447  13.370  -2.719
  378    HG1  THR  30           HG1      THR  30  -9.522  11.157  -2.589
  379   HG21  THR  30          HG21      THR  30 -11.150  12.211  -4.080
  380   HG22  THR  30          HG22      THR  30 -10.021  12.115  -5.447
  381   HG23  THR  30          HG23      THR  30 -10.597  13.692  -4.864
  Start of MODEL   47
    1    H1   GLY   1           H1       GLY   1  -1.507   9.123  -0.652
    2    H2   GLY   1           H2       GLY   1  -1.209   7.860   0.342
    3    H3   GLY   1           H3       GLY   1  -2.749   8.210  -0.105
    4    HA2  GLY   1           HA2      GLY   1  -0.645   7.464  -2.032
    5    HA3  GLY   1           HA3      GLY   1  -1.724   6.267  -1.294
    6    H    ILE   2           H        ILE   2  -3.327   7.411  -4.502
    7    HA   ILE   2           HA       ILE   2  -0.510   6.718  -4.081
    8    HB   ILE   2           HB       ILE   2  -1.796   4.860  -2.954
    9   HG12  ILE   2          HG12      ILE   2  -0.586   2.979  -3.967
   10   HG13  ILE   2          HG13      ILE   2  -0.087   3.999  -5.312
   11   HG21  ILE   2          HG21      ILE   2  -3.741   4.691  -4.445
   12   HG22  ILE   2          HG22      ILE   2  -2.701   4.053  -5.740
   13   HG23  ILE   2          HG23      ILE   2  -2.928   3.144  -4.243
   14   HD11  ILE   2          HD11      ILE   2   1.634   3.680  -3.497
   15   HD12  ILE   2          HD12      ILE   2   1.266   5.383  -3.817
   16   HD13  ILE   2          HD13      ILE   2   0.581   4.572  -2.386
   17    H    VAL   3           H        VAL   3  -3.302   6.433  -6.365
   18    HA   VAL   3           HA       VAL   3  -1.695   5.554  -8.506
   19    HB   VAL   3           HB       VAL   3  -4.232   7.207  -8.794
   20   HG11  VAL   3          HG11      VAL   3  -2.863   5.271 -10.729
   21   HG12  VAL   3          HG12      VAL   3  -4.475   5.983 -10.960
   22   HG13  VAL   3          HG13      VAL   3  -3.054   7.022 -10.949
   23   HG21  VAL   3          HG21      VAL   3  -3.880   4.187  -8.557
   24   HG22  VAL   3          HG22      VAL   3  -4.695   5.253  -7.399
   25   HG23  VAL   3          HG23      VAL   3  -5.379   5.020  -9.011
   26    H    GLU   4           H        GLU   4  -2.682   8.960  -7.848
   27    HA   GLU   4           HA       GLU   4  -0.939   9.969 -10.026
   28    HB2  GLU   4           HB2      GLU   4  -2.773  11.355  -8.028
   29    HB3  GLU   4           HB3      GLU   4  -1.751  12.195  -9.198
   30    HG2  GLU   4           HG2      GLU   4  -2.903  11.018 -11.061
   31    HG3  GLU   4           HG3      GLU   4  -3.964  10.217  -9.895
   32    H    GLN   5           H        GLN   5  -0.942   9.719  -6.468
   33    HA   GLN   5           HA       GLN   5   1.255  11.501  -6.013
   34    HB2  GLN   5           HB2      GLN   5  -0.406  10.716  -4.350
   35    HB3  GLN   5           HB3      GLN   5   0.323   9.109  -4.366
   36    HG2  GLN   5           HG2      GLN   5   2.443  10.046  -3.494
   37    HG3  GLN   5           HG3      GLN   5   1.789  11.687  -3.628
   38   HE21  GLN   5          HE21      GLN   5   2.579  11.491  -1.205
   39   HE22  GLN   5          HE22      GLN   5   1.321  10.988  -0.087
   40    H    CYS   6           H        CYS   6   1.213   7.940  -6.648
   41    HA   CYS   6           HA       CYS   6   4.110   7.714  -6.474
   42    HB2  CYS   6           HB2      CYS   6   2.350   5.962  -6.010
   43    HB3  CYS   6           HB3      CYS   6   2.070   5.858  -7.739
   44    H    CYS   7           H        CYS   7   1.933   8.749  -8.912
   45    HA   CYS   7           HA       CYS   7   3.715   8.292 -11.203
   46    HB2  CYS   7           HB2      CYS   7   1.222   8.278 -11.283
   47    HB3  CYS   7           HB3      CYS   7   1.210  10.004 -10.942
   48    H    THR   8           H        THR   8   2.796  11.041  -9.137
   49    HA   THR   8           HA       THR   8   4.578  12.947 -10.507
   50    HB   THR   8           HB       THR   8   3.776  14.517  -8.713
   51    HG1  THR   8           HG1      THR   8   1.865  12.489  -8.178
   52   HG21  THR   8          HG21      THR   8   1.605  13.135 -10.357
   53   HG22  THR   8          HG22      THR   8   2.694  14.419 -10.935
   54   HG23  THR   8          HG23      THR   8   1.524  14.765  -9.651
   55    H    SER   9           H        SER   9   4.410  11.526  -7.228
   56    HA   SER   9           HA       SER   9   7.357  11.962  -6.871
   57    HG   SER   9           HG       SER   9   5.769  13.300  -3.987
   58    HB2  SER   9           HB2      SER   9   5.234  11.209  -4.834
   59    HB3  SER   9           HB3      SER   9   6.963  11.395  -4.525
   60    H    ILE  10           H        ILE  10   6.973   9.500  -4.928
   61    HA   ILE  10           HA       ILE  10   7.079   7.317  -6.942
   62    HB   ILE  10           HB       ILE  10   9.116   6.425  -5.847
   63   HG12  ILE  10          HG12      ILE  10   9.317   9.113  -4.431
   64   HG13  ILE  10          HG13      ILE  10   8.995   7.553  -3.670
   65   HG21  ILE  10          HG21      ILE  10  10.694   7.764  -7.069
   66   HG22  ILE  10          HG22      ILE  10   9.184   7.698  -7.964
   67   HG23  ILE  10          HG23      ILE  10   9.599   9.165  -7.049
   68   HD11  ILE  10          HD11      ILE  10  11.252   6.765  -4.518
   69   HD12  ILE  10          HD12      ILE  10  11.572   8.441  -5.016
   70   HD13  ILE  10          HD13      ILE  10  11.299   8.071  -3.313
   71    H    CYS  11           H        CYS  11   6.932   5.185  -6.041
   72    HA   CYS  11           HA       CYS  11   6.438   4.842  -3.192
   73    HB2  CYS  11           HB2      CYS  11   4.281   3.914  -3.256
   74    HB3  CYS  11           HB3      CYS  11   4.166   5.460  -4.061
   75    H    SER  12           H        SER  12   6.289   2.615  -2.546
   76    HA   SER  12           HA       SER  12   7.702   0.752  -4.440
   77    HG   SER  12           HG       SER  12   9.471  -0.733  -1.921
   78    HB2  SER  12           HB2      SER  12   8.704   1.488  -2.135
   79    HB3  SER  12           HB3      SER  12   7.529   0.339  -1.462
   80    H    LEU  13           H        LEU  13   7.203  -1.589  -4.154
   81    HA   LEU  13           HA       LEU  13   4.467  -2.186  -4.591
   82    HG   LEU  13           HG       LEU  13   6.979  -4.612  -6.084
   83    HB2  LEU  13           HB2      LEU  13   6.800  -3.955  -3.747
   84    HB3  LEU  13           HB3      LEU  13   5.305  -4.506  -4.454
   85   HD11  LEU  13          HD11      LEU  13   6.068  -3.313  -7.939
   86   HD12  LEU  13          HD12      LEU  13   5.324  -2.166  -6.810
   87   HD13  LEU  13          HD13      LEU  13   4.752  -3.853  -6.883
   88   HD21  LEU  13          HD21      LEU  13   8.584  -2.917  -5.173
   89   HD22  LEU  13          HD22      LEU  13   7.649  -1.675  -6.053
   90   HD23  LEU  13          HD23      LEU  13   8.423  -2.987  -6.935
   91    H    TYR  14           H        TYR  14   6.438  -2.261  -1.655
   92    HA   TYR  14           HA       TYR  14   4.566  -3.506   0.097
   93    HD1  TYR  14           HD2      TYR  14   5.699  -4.657   2.236
   94    HD2  TYR  14           HD1      TYR  14   6.211  -0.400   2.694
   95    HE1  TYR  14           HE2      TYR  14   5.225  -4.866   4.667
   96    HE2  TYR  14           HE1      TYR  14   5.744  -0.602   5.128
   97    HH   TYR  14           HH       TYR  14   5.001  -3.764   6.675
   98    HB2  TYR  14           HB2      TYR  14   6.976  -3.170   0.536
   99    HB3  TYR  14           HB3      TYR  14   6.740  -1.428   0.617
  100    H    GLN  15           H        GLN  15   4.642  -0.261  -1.214
  101    HA   GLN  15           HA       GLN  15   2.618   0.784   0.713
  102    HB2  GLN  15           HB2      GLN  15   4.040   2.088  -1.636
  103    HB3  GLN  15           HB3      GLN  15   2.860   2.876  -0.583
  104    HG2  GLN  15           HG2      GLN  15   4.310   2.620   1.362
  105    HG3  GLN  15           HG3      GLN  15   5.477   1.668   0.445
  106   HE21  GLN  15          HE21      GLN  15   4.600   4.914   1.327
  107   HE22  GLN  15          HE22      GLN  15   5.738   5.691   0.240
  108    H    LEU  16           H        LEU  16   2.876  -0.306  -2.711
  109    HA   LEU  16           HA       LEU  16   0.098   0.131  -3.363
  110    HG   LEU  16           HG       LEU  16   2.934  -0.016  -5.019
  111    HB2  LEU  16           HB2      LEU  16   1.941  -2.127  -4.260
  112    HB3  LEU  16           HB3      LEU  16   0.409  -1.714  -4.988
  113   HD11  LEU  16          HD11      LEU  16   1.382  -1.371  -7.259
  114   HD12  LEU  16          HD12      LEU  16   2.881  -1.998  -6.526
  115   HD13  LEU  16          HD13      LEU  16   2.898  -0.463  -7.415
  116   HD21  LEU  16          HD21      LEU  16   0.173   0.612  -6.163
  117   HD22  LEU  16          HD22      LEU  16   1.672   1.499  -6.553
  118   HD23  LEU  16          HD23      LEU  16   1.044   1.515  -4.900
  119    H    GLU  17           H        GLU  17   1.710  -2.543  -1.626
  120    HA   GLU  17           HA       GLU  17  -0.456  -4.254  -1.355
  121    HB2  GLU  17           HB2      GLU  17   2.002  -4.588  -0.706
  122    HB3  GLU  17           HB3      GLU  17   1.615  -3.800   0.823
  123    HG2  GLU  17           HG2      GLU  17  -0.081  -5.573   1.281
  124    HG3  GLU  17           HG3      GLU  17   0.293  -6.320  -0.271
  125    H    ASN  18           H        ASN  18  -0.025  -1.209   0.381
  126    HA   ASN  18           HA       ASN  18  -1.838  -1.632   2.548
  127    HB2  ASN  18           HB2      ASN  18  -0.211   0.230   2.383
  128    HB3  ASN  18           HB3      ASN  18  -1.103   0.888   1.011
  129   HD21  ASN  18          HD21      ASN  18  -2.730   2.369   1.430
  130   HD22  ASN  18          HD22      ASN  18  -3.401   2.641   3.027
  131    H    TYR  19           H        TYR  19  -2.420  -1.077  -0.873
  132    HA   TYR  19           HA       TYR  19  -5.265  -0.350  -0.458
  133    HD1  TYR  19           HD1      TYR  19  -6.004   2.095  -1.454
  134    HD2  TYR  19           HD2      TYR  19  -1.775   1.344  -1.713
  135    HE1  TYR  19           HE1      TYR  19  -5.565   4.282  -0.378
  136    HE2  TYR  19           HE2      TYR  19  -1.316   3.532  -0.616
  137    HH   TYR  19           HH       TYR  19  -3.989   5.685   0.474
  138    HB2  TYR  19           HB2      TYR  19  -3.361  -0.145  -2.815
  139    HB3  TYR  19           HB3      TYR  19  -5.067   0.255  -2.883
  140    H    CYS  20           H        CYS  20  -3.727  -3.224  -0.693
  141    HA   CYS  20           HA       CYS  20  -5.475  -4.689  -2.495
  142    HB2  CYS  20           HB2      CYS  20  -3.976  -5.646  -0.032
  143    HB3  CYS  20           HB3      CYS  20  -4.705  -6.664  -1.259
  144    H    ASN  21           H        ASN  21  -7.065  -6.204  -1.924
  145    HA   ASN  21           HA       ASN  21  -8.953  -7.039  -1.039
  146    HB2  ASN  21           HB2      ASN  21  -7.286  -7.252   0.958
  147    HB3  ASN  21           HB3      ASN  21  -8.187  -5.929   1.680
  148   HD21  ASN  21          HD21      ASN  21 -10.711  -6.400   1.440
  149   HD22  ASN  21          HD22      ASN  21 -11.180  -8.007   2.050
  150    HA   PHE   1           HA       PHE   1  11.255  -2.324  -5.341
  151    HD1  PHE   1           HD2      PHE   1  10.496  -2.772  -2.691
  152    HD2  PHE   1           HD1      PHE   1  11.622  -6.445  -4.658
  153    HE1  PHE   1           HE2      PHE   1   8.494  -3.891  -1.747
  154    HE2  PHE   1           HE1      PHE   1   9.599  -7.549  -3.734
  155    HZ   PHE   1           HZ       PHE   1   8.041  -6.284  -2.279
  156    H1   PHE   1           H1       PHE   1  12.488  -4.421  -7.002
  157    H2   PHE   1           H2       PHE   1  11.467  -3.258  -7.529
  158    H3   PHE   1           H3       PHE   1  10.927  -4.413  -6.496
  159    HB2  PHE   1           HB2      PHE   1  13.183  -4.553  -4.577
  160    HB3  PHE   1           HB3      PHE   1  12.818  -3.176  -3.560
  161    H    VAL   2           H        VAL   2  14.200  -0.324  -5.747
  162    HA   VAL   2           HA       VAL   2  11.701  -0.815  -4.176
  163    HB   VAL   2           HB       VAL   2  13.800  -1.240  -2.841
  164   HG11  VAL   2          HG11      VAL   2  15.246   0.553  -3.762
  165   HG12  VAL   2          HG12      VAL   2  14.233   1.763  -2.955
  166   HG13  VAL   2          HG13      VAL   2  15.137   0.582  -1.993
  167   HG21  VAL   2          HG21      VAL   2  12.019   0.985  -1.798
  168   HG22  VAL   2          HG22      VAL   2  11.667  -0.758  -1.758
  169   HG23  VAL   2          HG23      VAL   2  13.027  -0.105  -0.834
  170    H    ASN   3           H        ASN   3  10.468   0.986  -3.730
  171    HA   ASN   3           HA       ASN   3   9.343   2.770  -4.422
  172    HB2  ASN   3           HB2      ASN   3  10.249   4.885  -3.457
  173    HB3  ASN   3           HB3      ASN   3  10.012   3.505  -2.413
  174   HD21  ASN   3          HD21      ASN   3  12.771   4.694  -4.500
  175   HD22  ASN   3          HD22      ASN   3  13.946   4.576  -3.198
  176    H    GLN   4           H        GLN   4   8.819   3.075  -6.370
  177    HA   GLN   4           HA       GLN   4  10.747   4.305  -8.299
  178    HB2  GLN   4           HB2      GLN   4   8.808   1.968  -8.649
  179    HB3  GLN   4           HB3      GLN   4   9.642   2.745  -9.989
  180    HG2  GLN   4           HG2      GLN   4  11.011   1.308  -7.664
  181    HG3  GLN   4           HG3      GLN   4  10.745   0.653  -9.268
  182   HE21  GLN   4          HE21      GLN   4  12.945   2.573  -7.342
  183   HE22  GLN   4          HE22      GLN   4  13.980   3.030  -8.685
  184    H    HIS   5           H        HIS   5   9.550   5.108 -10.340
  185    HA   HIS   5           HA       HIS   5   7.072   6.589  -9.626
  186    HD1  HIS   5           HD1      HIS   5   7.744   9.397  -9.676
  187    HD2  HIS   5           HD2      HIS   5  10.964   7.676 -11.767
  188    HE1  HIS   5           HE1      HIS   5   9.723  10.953  -9.340
  189    HB2  HIS   5           HB2      HIS   5   8.698   6.559 -12.202
  190    HB3  HIS   5           HB3      HIS   5   7.282   7.548 -11.880
  191    H    LEU   6           H        LEU   6   5.148   5.723 -10.102
  192    HA   LEU   6           HA       LEU   6   4.792   3.746 -12.285
  193    HG   LEU   6           HG       LEU   6   6.341   2.541  -9.846
  194    HB2  LEU   6           HB2      LEU   6   4.010   3.345  -9.371
  195    HB3  LEU   6           HB3      LEU   6   3.412   2.354 -10.688
  196   HD11  LEU   6          HD11      LEU   6   4.932   1.548  -8.077
  197   HD12  LEU   6          HD12      LEU   6   5.981   0.332  -8.821
  198   HD13  LEU   6          HD13      LEU   6   4.259   0.394  -9.248
  199   HD21  LEU   6          HD21      LEU   6   6.056   1.839 -12.221
  200   HD22  LEU   6          HD22      LEU   6   4.893   0.602 -11.718
  201   HD23  LEU   6          HD23      LEU   6   6.594   0.489 -11.216
  202    H    CYS   7           H        CYS   7   2.810   4.016 -13.292
  203    HA   CYS   7           HA       CYS   7   0.873   5.953 -12.131
  204    HB2  CYS   7           HB2      CYS   7   2.784   6.979 -13.585
  205    HB3  CYS   7           HB3      CYS   7   1.939   6.255 -14.945
  206    H    GLY   8           H        GLY   8  -1.090   5.994 -13.057
  207    HA2  GLY   8           HA2      GLY   8  -3.082   5.071 -13.880
  208    HA3  GLY   8           HA3      GLY   8  -2.125   5.061 -15.352
  209    H    SER   9           H        SER   9  -2.538   3.265 -16.406
  210    HA   SER   9           HA       SER   9  -3.536   0.833 -15.393
  211    HG   SER   9           HG       SER   9  -4.060   1.625 -18.855
  212    HB2  SER   9           HB2      SER   9  -1.947   1.272 -17.950
  213    HB3  SER   9           HB3      SER   9  -3.073  -0.054 -17.611
  214    H    HIS  10           H        HIS  10  -0.147   1.868 -15.814
  215    HA   HIS  10           HA       HIS  10   0.976  -0.806 -15.475
  216    HD1  HIS  10           HD1      HIS  10   2.746  -0.915 -17.762
  217    HD2  HIS  10           HD2      HIS  10   1.693   3.147 -17.483
  218    HE1  HIS  10           HE1      HIS  10   2.582  -0.058 -20.149
  219    HB2  HIS  10           HB2      HIS  10   2.211   1.970 -15.206
  220    HB3  HIS  10           HB3      HIS  10   3.106   0.453 -15.284
  221    H    LEU  11           H        LEU  11   0.363   1.974 -13.269
  222    HA   LEU  11           HA       LEU  11   1.338   0.635 -10.896
  223    HG   LEU  11           HG       LEU  11   0.509   1.615  -8.803
  224    HB2  LEU  11           HB2      LEU  11   1.085   3.041 -11.034
  225    HB3  LEU  11           HB3      LEU  11  -0.647   2.931 -11.260
  226   HD11  LEU  11          HD11      LEU  11   1.753   3.697  -8.839
  227   HD12  LEU  11          HD12      LEU  11   0.505   3.813  -7.596
  228   HD13  LEU  11          HD13      LEU  11   0.276   4.630  -9.161
  229   HD21  LEU  11          HD21      LEU  11  -1.933   1.539  -9.125
  230   HD22  LEU  11          HD22      LEU  11  -1.980   3.295  -9.324
  231   HD23  LEU  11          HD23      LEU  11  -1.553   2.576  -7.752
  232    H    VAL  12           H        VAL  12  -1.922   0.899 -12.369
  233    HA   VAL  12           HA       VAL  12  -3.220  -0.672 -10.372
  234    HB   VAL  12           HB       VAL  12  -3.973  -0.092 -13.249
  235   HG11  VAL  12          HG11      VAL  12  -5.663  -1.515 -11.146
  236   HG12  VAL  12          HG12      VAL  12  -6.281  -0.850 -12.670
  237   HG13  VAL  12          HG13      VAL  12  -5.130  -2.189 -12.700
  238   HG21  VAL  12          HG21      VAL  12  -5.087   0.891 -10.578
  239   HG22  VAL  12          HG22      VAL  12  -3.983   1.813 -11.608
  240   HG23  VAL  12          HG23      VAL  12  -5.606   1.427 -12.188
  241    H    GLU  13           H        GLU  13  -1.522  -1.725 -13.342
  242    HA   GLU  13           HA       GLU  13  -2.084  -4.524 -13.057
  243    HB2  GLU  13           HB2      GLU  13  -1.231  -3.437 -15.110
  244    HB3  GLU  13           HB3      GLU  13   0.318  -3.133 -14.319
  245    HG2  GLU  13           HG2      GLU  13   0.704  -5.553 -14.099
  246    HG3  GLU  13           HG3      GLU  13  -0.899  -5.902 -14.737
  247    H    ALA  14           H        ALA  14   0.735  -2.542 -11.943
  248    HA   ALA  14           HA       ALA  14   2.115  -4.635 -10.593
  249    HB1  ALA  14           HB1      ALA  14   3.251  -2.792  -9.398
  250    HB2  ALA  14           HB2      ALA  14   3.100  -2.439 -11.127
  251    HB3  ALA  14           HB3      ALA  14   2.014  -1.648  -9.960
  252    H    LEU  15           H        LEU  15  -0.359  -2.384  -9.341
  253    HA   LEU  15           HA       LEU  15  -0.563  -3.327  -6.683
  254    HG   LEU  15           HG       LEU  15  -3.814  -3.010  -6.650
  255    HB2  LEU  15           HB2      LEU  15  -1.513  -1.232  -7.553
  256    HB3  LEU  15           HB3      LEU  15  -2.604  -2.122  -8.599
  257   HD11  LEU  15          HD11      LEU  15  -3.411  -2.105  -4.395
  258   HD12  LEU  15          HD12      LEU  15  -1.997  -1.204  -4.990
  259   HD13  LEU  15          HD13      LEU  15  -1.989  -2.983  -4.955
  260   HD21  LEU  15          HD21      LEU  15  -4.854  -0.854  -5.985
  261   HD22  LEU  15          HD22      LEU  15  -4.521  -0.898  -7.727
  262   HD23  LEU  15          HD23      LEU  15  -3.465   0.025  -6.639
  263    H    TYR  16           H        TYR  16  -2.505  -4.353  -9.567
  264    HA   TYR  16           HA       TYR  16  -3.869  -6.479  -8.298
  265    HD1  TYR  16           HD2      TYR  16  -5.744  -7.752  -9.179
  266    HD2  TYR  16           HD1      TYR  16  -2.953  -8.097 -12.454
  267    HE1  TYR  16           HE2      TYR  16  -6.649 -10.004  -9.701
  268    HE2  TYR  16           HE1      TYR  16  -3.859 -10.357 -12.980
  269    HH   TYR  16           HH       TYR  16  -6.531 -11.837 -11.097
  270    HB2  TYR  16           HB2      TYR  16  -4.487  -5.655 -10.511
  271    HB3  TYR  16           HB3      TYR  16  -2.948  -6.158 -11.173
  272    H    LEU  17           H        LEU  17  -0.626  -6.536  -9.800
  273    HA   LEU  17           HA       LEU  17  -0.238  -9.379  -9.364
  274    HG   LEU  17           HG       LEU  17   0.056  -7.862 -11.860
  275    HB2  LEU  17           HB2      LEU  17   1.662  -7.088 -10.018
  276    HB3  LEU  17           HB3      LEU  17   2.198  -8.760  -9.881
  277   HD11  LEU  17          HD11      LEU  17   2.224  -6.758 -12.325
  278   HD12  LEU  17          HD12      LEU  17   1.824  -7.959 -13.561
  279   HD13  LEU  17          HD13      LEU  17   3.031  -8.343 -12.321
  280   HD21  LEU  17          HD21      LEU  17   0.596 -10.010 -12.975
  281   HD22  LEU  17          HD22      LEU  17  -0.068 -10.264 -11.358
  282   HD23  LEU  17          HD23      LEU  17   1.681 -10.432 -11.635
  283    H    VAL  18           H        VAL  18   0.551  -6.554  -7.410
  284    HA   VAL  18           HA       VAL  18   1.978  -7.990  -5.335
  285    HB   VAL  18           HB       VAL  18   0.526  -5.327  -5.395
  286   HG11  VAL  18          HG11      VAL  18   1.499  -4.798  -3.185
  287   HG12  VAL  18          HG12      VAL  18   0.282  -6.061  -3.076
  288   HG13  VAL  18          HG13      VAL  18   2.002  -6.491  -3.001
  289   HG21  VAL  18          HG21      VAL  18   2.768  -5.561  -6.551
  290   HG22  VAL  18          HG22      VAL  18   2.794  -4.409  -5.206
  291   HG23  VAL  18          HG23      VAL  18   3.474  -6.037  -5.002
  292    H    CYS  19           H        CYS  19  -1.475  -7.101  -5.742
  293    HA   CYS  19           HA       CYS  19  -2.221  -8.299  -3.194
  294    HB2  CYS  19           HB2      CYS  19  -3.948  -7.295  -5.486
  295    HB3  CYS  19           HB3      CYS  19  -4.479  -7.632  -3.836
  296    H    GLY  20           H        GLY  20  -2.318  -9.448  -6.530
  297    HA2  GLY  20           HA2      GLY  20  -2.894 -11.504  -7.450
  298    HA3  GLY  20           HA3      GLY  20  -2.939 -12.188  -5.815
  299    H    GLU  21           H        GLU  21  -4.757 -13.395  -6.380
  300    HA   GLU  21           HA       GLU  21  -7.192 -12.469  -7.417
  301    HB2  GLU  21           HB2      GLU  21  -6.812 -14.772  -5.453
  302    HB3  GLU  21           HB3      GLU  21  -8.160 -14.518  -6.559
  303    HG2  GLU  21           HG2      GLU  21  -7.046 -15.989  -7.844
  304    HG3  GLU  21           HG3      GLU  21  -6.202 -14.548  -8.404
  305    H    ARG  22           H        ARG  22  -5.983 -11.784  -4.260
  306    HA   ARG  22           HA       ARG  22  -8.403 -11.519  -2.762
  307    HE   ARG  22           HE       ARG  22  -4.938 -11.765   0.507
  308    HB2  ARG  22           HB2      ARG  22  -6.108 -11.624  -1.852
  309    HB3  ARG  22           HB3      ARG  22  -5.758 -10.026  -2.527
  310    HG2  ARG  22           HG2      ARG  22  -7.371  -8.966  -1.080
  311    HG3  ARG  22           HG3      ARG  22  -7.986 -10.520  -0.510
  312    HD2  ARG  22           HD2      ARG  22  -5.125  -9.542  -0.101
  313    HD3  ARG  22           HD3      ARG  22  -6.402  -9.326   1.092
  314   HH11  ARG  22          HH21      ARG  22  -7.975 -10.567   1.924
  315   HH12  ARG  22          HH22      ARG  22  -8.171 -11.999   2.893
  316   HH21  ARG  22          HH11      ARG  22  -5.297 -13.585   1.764
  317   HH22  ARG  22          HH12      ARG  22  -6.700 -13.679   2.788
  318    H    GLY  23           H        GLY  23  -7.012  -9.488  -5.259
  319    HA2  GLY  23           HA2      GLY  23  -7.935  -7.667  -6.388
  320    HA3  GLY  23           HA3      GLY  23  -9.338  -7.711  -5.308
  321    H    PHE  24           H        PHE  24  -8.961  -5.339  -5.659
  322    HA   PHE  24           HA       PHE  24  -7.499  -4.078  -3.462
  323    HD1  PHE  24           HD1      PHE  24  -7.197  -1.544  -6.809
  324    HD2  PHE  24           HD2      PHE  24  -6.166  -5.715  -7.166
  325    HE1  PHE  24           HE1      PHE  24  -7.621  -1.445  -9.252
  326    HE2  PHE  24           HE2      PHE  24  -6.619  -5.605  -9.615
  327    HZ   PHE  24           HZ       PHE  24  -7.333  -3.472 -10.655
  328    HB2  PHE  24           HB2      PHE  24  -6.030  -2.771  -4.961
  329    HB3  PHE  24           HB3      PHE  24  -5.703  -4.482  -5.098
  330    H    PHE  25           H        PHE  25  -7.669  -1.738  -3.471
  331    HA   PHE  25           HA       PHE  25  -9.436  -0.387  -5.352
  332    HD1  PHE  25           HD2      PHE  25 -12.201   0.215  -5.486
  333    HD2  PHE  25           HD1      PHE  25 -10.426   1.857  -1.913
  334    HE1  PHE  25           HE2      PHE  25 -13.431   2.336  -5.843
  335    HE2  PHE  25           HE1      PHE  25 -11.652   3.980  -2.275
  336    HZ   PHE  25           HZ       PHE  25 -13.168   4.223  -4.232
  337    HB2  PHE  25           HB2      PHE  25 -11.094  -1.243  -3.747
  338    HB3  PHE  25           HB3      PHE  25 -10.203  -0.509  -2.414
  339    H    TYR  26           H        TYR  26  -8.247   1.319  -5.885
  340    HA   TYR  26           HA       TYR  26  -6.190   2.386  -4.076
  341    HD1  TYR  26           HD2      TYR  26  -7.412   4.751  -7.242
  342    HD2  TYR  26           HD1      TYR  26  -6.523   0.611  -8.060
  343    HE1  TYR  26           HE2      TYR  26  -8.743   4.880  -9.325
  344    HE2  TYR  26           HE1      TYR  26  -7.854   0.740 -10.150
  345    HH   TYR  26           HH       TYR  26  -9.139   2.069 -11.525
  346    HB2  TYR  26           HB2      TYR  26  -5.369   3.395  -6.184
  347    HB3  TYR  26           HB3      TYR  26  -5.488   1.658  -6.226
  348    H    THR  27           H        THR  27  -5.677   4.733  -4.287
  349    HA   THR  27           HA       THR  27  -7.970   6.599  -4.625
  350    HB   THR  27           HB       THR  27  -6.959   7.928  -2.696
  351    HG1  THR  27           HG1      THR  27  -5.076   7.095  -2.217
  352   HG21  THR  27          HG21      THR  27  -9.036   6.586  -2.436
  353   HG22  THR  27          HG22      THR  27  -8.065   6.650  -0.955
  354   HG23  THR  27          HG23      THR  27  -8.052   5.178  -1.956
  355    HA   PRO  28           HA       PRO  28  -5.079   8.714  -7.157
  356    HB2  PRO  28           HB2      PRO  28  -5.766  11.375  -6.982
  357    HB3  PRO  28           HB3      PRO  28  -6.753  10.131  -7.799
  358    HG2  PRO  28           HG2      PRO  28  -7.104  11.245  -5.000
  359    HG3  PRO  28           HG3      PRO  28  -8.350  10.956  -6.252
  360    HD2  PRO  28           HD2      PRO  28  -7.874   9.186  -4.220
  361    HD3  PRO  28           HD3      PRO  28  -8.363   8.642  -5.850
  362    H    LYS  29           H        LYS  29  -5.392  10.661  -4.142
  363    HA   LYS  29           HA       LYS  29  -2.533  10.601  -3.551
  364    HB2  LYS  29           HB2      LYS  29  -2.129  12.974  -3.938
  365    HB3  LYS  29           HB3      LYS  29  -2.629  12.183  -5.423
  366    HG2  LYS  29           HG2      LYS  29  -5.025  13.061  -4.920
  367    HG3  LYS  29           HG3      LYS  29  -4.296  14.007  -3.628
  368    HD2  LYS  29           HD2      LYS  29  -4.533  15.435  -5.522
  369    HD3  LYS  29           HD3      LYS  29  -2.800  15.096  -5.357
  370    HE2  LYS  29           HE2      LYS  29  -2.942  13.374  -7.124
  371    HE3  LYS  29           HE3      LYS  29  -4.694  13.586  -7.220
  372    HZ1  LYS  29           HZ1      LYS  29  -2.679  15.633  -7.950
  373    HZ2  LYS  29           HZ2      LYS  29  -4.299  15.867  -7.991
  374    HZ3  LYS  29           HZ3      LYS  29  -3.609  14.756  -8.986
  375    H    THR  30           H        THR  30  -5.096  10.019  -2.243
  376    HA   THR  30           HA       THR  30  -5.842  11.971  -0.266
  377    HB   THR  30           HB       THR  30  -6.322   8.967  -0.302
  378    HG1  THR  30           HG1      THR  30  -7.871  11.087  -1.392
  379   HG21  THR  30          HG21      THR  30  -8.429   9.562   0.882
  380   HG22  THR  30          HG22      THR  30  -7.885  11.247   0.994
  381   HG23  THR  30          HG23      THR  30  -6.998   9.952   1.835
  Start of MODEL   48
    1    H1   GLY   1           H1       GLY   1  -2.900  11.073  -2.737
    2    H2   GLY   1           H2       GLY   1  -1.914  10.668  -1.492
    3    H3   GLY   1           H3       GLY   1  -3.514  10.885  -1.234
    4    HA2  GLY   1           HA2      GLY   1  -2.984   8.529  -1.214
    5    HA3  GLY   1           HA3      GLY   1  -4.072   8.947  -2.553
    6    H    ILE   2           H        ILE   2  -2.503   6.610  -2.628
    7    HA   ILE   2           HA       ILE   2   0.086   6.970  -3.776
    8    HB   ILE   2           HB       ILE   2  -0.050   4.613  -4.515
    9   HG12  ILE   2          HG12      ILE   2  -2.764   4.454  -3.150
   10   HG13  ILE   2          HG13      ILE   2  -2.594   4.589  -4.900
   11   HG21  ILE   2          HG21      ILE   2  -0.822   5.228  -1.642
   12   HG22  ILE   2          HG22      ILE   2  -0.022   3.743  -2.200
   13   HG23  ILE   2          HG23      ILE   2   0.804   5.300  -2.345
   14   HD11  ILE   2          HD11      ILE   2  -1.398   2.329  -3.241
   15   HD12  ILE   2          HD12      ILE   2  -2.878   2.250  -4.201
   16   HD13  ILE   2          HD13      ILE   2  -1.321   2.505  -5.009
   17    H    VAL   3           H        VAL   3  -2.981   7.004  -5.429
   18    HA   VAL   3           HA       VAL   3  -1.990   6.756  -8.115
   19    HB   VAL   3           HB       VAL   3  -4.395   8.235  -7.029
   20   HG11  VAL   3          HG11      VAL   3  -3.727   7.670  -9.945
   21   HG12  VAL   3          HG12      VAL   3  -5.322   8.172  -9.350
   22   HG13  VAL   3          HG13      VAL   3  -3.952   9.271  -9.194
   23   HG21  VAL   3          HG21      VAL   3  -4.400   5.754  -6.749
   24   HG22  VAL   3          HG22      VAL   3  -5.651   6.290  -7.885
   25   HG23  VAL   3          HG23      VAL   3  -4.146   5.580  -8.496
   26    H    GLU   4           H        GLU   4  -1.898   9.489  -5.877
   27    HA   GLU   4           HA       GLU   4  -0.811  11.356  -7.894
   28    HB2  GLU   4           HB2      GLU   4  -0.826  11.613  -4.859
   29    HB3  GLU   4           HB3      GLU   4  -0.491  12.874  -6.029
   30    HG2  GLU   4           HG2      GLU   4  -2.831  12.853  -6.783
   31    HG3  GLU   4           HG3      GLU   4  -3.198  11.502  -5.703
   32    H    GLN   5           H        GLN   5   0.350   9.670  -4.918
   33    HA   GLN   5           HA       GLN   5   2.943  10.765  -5.117
   34    HB2  GLN   5           HB2      GLN   5   1.812   9.909  -3.044
   35    HB3  GLN   5           HB3      GLN   5   2.130   8.255  -3.589
   36    HG2  GLN   5           HG2      GLN   5   4.585   8.738  -3.577
   37    HG3  GLN   5           HG3      GLN   5   4.251  10.393  -3.056
   38   HE21  GLN   5          HE21      GLN   5   2.938  10.537  -0.872
   39   HE22  GLN   5          HE22      GLN   5   3.391   9.342   0.331
   40    H    CYS   6           H        CYS   6   1.829   7.513  -6.257
   41    HA   CYS   6           HA       CYS   6   4.484   6.584  -6.910
   42    HB2  CYS   6           HB2      CYS   6   1.690   5.837  -7.852
   43    HB3  CYS   6           HB3      CYS   6   3.136   5.017  -8.394
   44    H    CYS   7           H        CYS   7   2.333   8.752  -8.556
   45    HA   CYS   7           HA       CYS   7   3.732   8.380 -11.157
   46    HB2  CYS   7           HB2      CYS   7   1.244   8.288 -10.958
   47    HB3  CYS   7           HB3      CYS   7   1.245   9.976 -10.455
   48    H    THR   8           H        THR   8   3.143  10.906  -8.710
   49    HA   THR   8           HA       THR   8   4.746  12.908 -10.188
   50    HB   THR   8           HB       THR   8   4.209  14.411  -8.323
   51    HG1  THR   8           HG1      THR   8   2.566  12.302  -7.369
   52   HG21  THR   8          HG21      THR   8   2.695  14.225 -10.274
   53   HG22  THR   8          HG22      THR   8   1.824  14.625  -8.779
   54   HG23  THR   8          HG23      THR   8   1.760  12.971  -9.432
   55    H    SER   9           H        SER   9   5.129  10.800  -7.394
   56    HA   SER   9           HA       SER   9   8.027  11.538  -7.248
   57    HG   SER   9           HG       SER   9   5.983  12.809  -5.497
   58    HB2  SER   9           HB2      SER   9   6.234  10.553  -4.985
   59    HB3  SER   9           HB3      SER   9   7.970  10.859  -4.884
   60    H    ILE  10           H        ILE  10   8.879   9.338  -5.801
   61    HA   ILE  10           HA       ILE  10   8.246   7.000  -7.549
   62    HB   ILE  10           HB       ILE  10  10.625   7.905  -7.325
   63   HG12  ILE  10          HG12      ILE  10  10.167   4.983  -6.635
   64   HG13  ILE  10          HG13      ILE  10  10.025   5.722  -8.236
   65   HG21  ILE  10          HG21      ILE  10  10.603   6.513  -4.614
   66   HG22  ILE  10          HG22      ILE  10  11.950   7.379  -5.384
   67   HG23  ILE  10          HG23      ILE  10  10.542   8.278  -4.828
   68   HD11  ILE  10          HD11      ILE  10  12.586   5.557  -6.623
   69   HD12  ILE  10          HD12      ILE  10  12.154   4.601  -8.055
   70   HD13  ILE  10          HD13      ILE  10  12.408   6.347  -8.209
   71    H    CYS  11           H        CYS  11   7.610   4.994  -6.581
   72    HA   CYS  11           HA       CYS  11   7.113   5.016  -3.645
   73    HB2  CYS  11           HB2      CYS  11   4.860   4.442  -3.791
   74    HB3  CYS  11           HB3      CYS  11   5.052   5.794  -4.889
   75    H    SER  12           H        SER  12   6.382   2.824  -2.841
   76    HA   SER  12           HA       SER  12   8.074   0.729  -4.193
   77    HG   SER  12           HG       SER  12   9.129  -0.589  -1.156
   78    HB2  SER  12           HB2      SER  12   8.847   1.482  -1.966
   79    HB3  SER  12           HB3      SER  12   7.312   0.925  -1.277
   80    H    LEU  13           H        LEU  13   7.475  -1.442  -3.977
   81    HA   LEU  13           HA       LEU  13   4.673  -2.108  -4.494
   82    HG   LEU  13           HG       LEU  13   7.589  -2.902  -5.892
   83    HB2  LEU  13           HB2      LEU  13   7.060  -3.859  -3.736
   84    HB3  LEU  13           HB3      LEU  13   5.498  -4.422  -4.290
   85   HD11  LEU  13          HD11      LEU  13   7.636  -4.930  -7.260
   86   HD12  LEU  13          HD12      LEU  13   6.348  -5.661  -6.277
   87   HD13  LEU  13          HD13      LEU  13   7.943  -5.342  -5.560
   88   HD21  LEU  13          HD21      LEU  13   6.101  -3.105  -7.869
   89   HD22  LEU  13          HD22      LEU  13   5.440  -2.020  -6.644
   90   HD23  LEU  13          HD23      LEU  13   4.792  -3.670  -6.813
   91    H    TYR  14           H        TYR  14   6.744  -2.018  -1.646
   92    HA   TYR  14           HA       TYR  14   4.969  -3.280   0.206
   93    HD1  TYR  14           HD2      TYR  14   6.106  -4.250   2.416
   94    HD2  TYR  14           HD1      TYR  14   6.564   0.034   2.593
   95    HE1  TYR  14           HE2      TYR  14   5.696  -4.307   4.874
   96    HE2  TYR  14           HE1      TYR  14   6.166  -0.017   5.043
   97    HH   TYR  14           HH       TYR  14   5.696  -1.332   6.882
   98    HB2  TYR  14           HB2      TYR  14   7.355  -2.843   0.600
   99    HB3  TYR  14           HB3      TYR  14   7.070  -1.111   0.582
  100    H    GLN  15           H        GLN  15   4.928  -0.062  -1.197
  101    HA   GLN  15           HA       GLN  15   2.914   0.999   0.711
  102    HB2  GLN  15           HB2      GLN  15   4.064   2.144  -1.868
  103    HB3  GLN  15           HB3      GLN  15   2.902   2.955  -0.838
  104    HG2  GLN  15           HG2      GLN  15   4.501   2.944   1.049
  105    HG3  GLN  15           HG3      GLN  15   5.702   2.129   0.030
  106   HE21  GLN  15          HE21      GLN  15   4.082   5.202   0.666
  107   HE22  GLN  15          HE22      GLN  15   4.949   6.140  -0.532
  108    H    LEU  16           H        LEU  16   3.054  -0.234  -2.685
  109    HA   LEU  16           HA       LEU  16   0.237  -0.036  -3.182
  110    HG   LEU  16           HG       LEU  16   3.119  -0.101  -4.912
  111    HB2  LEU  16           HB2      LEU  16   2.159  -2.184  -4.172
  112    HB3  LEU  16           HB3      LEU  16   0.595  -1.786  -4.858
  113   HD11  LEU  16          HD11      LEU  16   1.414  -1.285  -7.140
  114   HD12  LEU  16          HD12      LEU  16   2.922  -1.983  -6.521
  115   HD13  LEU  16          HD13      LEU  16   2.942  -0.399  -7.329
  116   HD21  LEU  16          HD21      LEU  16   1.871   1.555  -6.243
  117   HD22  LEU  16          HD22      LEU  16   1.264   1.477  -4.584
  118   HD23  LEU  16          HD23      LEU  16   0.350   0.698  -5.898
  119    H    GLU  17           H        GLU  17   2.105  -2.579  -1.528
  120    HA   GLU  17           HA       GLU  17   0.059  -4.437  -1.171
  121    HB2  GLU  17           HB2      GLU  17   2.517  -4.737  -0.750
  122    HB3  GLU  17           HB3      GLU  17   2.316  -3.888   0.783
  123    HG2  GLU  17           HG2      GLU  17   0.753  -5.637   1.553
  124    HG3  GLU  17           HG3      GLU  17   0.847  -6.438  -0.014
  125    H    ASN  18           H        ASN  18   0.604  -1.450   0.656
  126    HA   ASN  18           HA       ASN  18  -1.077  -2.054   2.901
  127    HB2  ASN  18           HB2      ASN  18   0.668  -0.238   2.737
  128    HB3  ASN  18           HB3      ASN  18  -0.422   0.655   1.674
  129   HD21  ASN  18          HD22      ASN  18  -0.305  -0.858   4.967
  130   HD22  ASN  18          HD21      ASN  18  -1.353   0.342   5.696
  131    H    TYR  19           H        TYR  19  -1.877  -1.265  -0.402
  132    HA   TYR  19           HA       TYR  19  -4.670  -0.467   0.246
  133    HD1  TYR  19           HD2      TYR  19  -1.614   1.386  -0.523
  134    HD2  TYR  19           HD1      TYR  19  -5.734   1.989  -1.630
  135    HE1  TYR  19           HE2      TYR  19  -1.474   3.746   0.240
  136    HE2  TYR  19           HE1      TYR  19  -5.581   4.374  -0.922
  137    HH   TYR  19           HH       TYR  19  -2.572   5.766   0.447
  138    HB2  TYR  19           HB2      TYR  19  -2.880  -0.173  -2.179
  139    HB3  TYR  19           HB3      TYR  19  -4.612   0.006  -2.300
  140    H    CYS  20           H        CYS  20  -3.126  -3.393  -0.257
  141    HA   CYS  20           HA       CYS  20  -5.005  -4.695  -2.029
  142    HB2  CYS  20           HB2      CYS  20  -3.399  -5.916   0.229
  143    HB3  CYS  20           HB3      CYS  20  -4.184  -6.771  -1.095
  144    H    ASN  21           H        ASN  21  -6.658  -6.148  -1.554
  145    HA   ASN  21           HA       ASN  21  -8.367  -5.689   0.809
  146    HB2  ASN  21           HB2      ASN  21  -9.365  -5.941  -1.433
  147    HB3  ASN  21           HB3      ASN  21  -8.552  -7.481  -1.657
  148   HD21  ASN  21          HD22      ASN  21  -9.078  -9.122   0.185
  149   HD22  ASN  21          HD21      ASN  21 -10.812  -9.285   0.509
  150    HA   PHE   1           HA       PHE   1  11.081  -4.948  -1.899
  151    HD1  PHE   1           HD1      PHE   1   9.362  -4.080  -0.078
  152    HD2  PHE   1           HD2      PHE   1  13.326  -3.290   1.450
  153    HE1  PHE   1           HE1      PHE   1   8.634  -4.775   2.187
  154    HE2  PHE   1           HE2      PHE   1  12.582  -3.992   3.712
  155    HZ   PHE   1           HZ       PHE   1  10.238  -4.732   4.088
  156    H1   PHE   1           H1       PHE   1  13.970  -4.877  -1.366
  157    H2   PHE   1           H2       PHE   1  13.148  -6.127  -2.029
  158    H3   PHE   1           H3       PHE   1  12.862  -5.688  -0.472
  159    HB2  PHE   1           HB2      PHE   1  12.783  -2.674  -0.795
  160    HB3  PHE   1           HB3      PHE   1  11.097  -2.534  -1.267
  161    H    VAL   2           H        VAL   2  10.397  -3.272  -3.515
  162    HA   VAL   2           HA       VAL   2  12.461  -2.477  -5.508
  163    HB   VAL   2           HB       VAL   2   9.879  -3.943  -6.198
  164   HG11  VAL   2          HG11      VAL   2  10.634  -3.748  -8.574
  165   HG12  VAL   2          HG12      VAL   2  10.244  -2.186  -7.862
  166   HG13  VAL   2          HG13      VAL   2  11.947  -2.669  -8.047
  167   HG21  VAL   2          HG21      VAL   2  11.369  -5.607  -7.296
  168   HG22  VAL   2          HG22      VAL   2  12.782  -4.753  -6.647
  169   HG23  VAL   2          HG23      VAL   2  11.614  -5.536  -5.550
  170    H    ASN   3           H        ASN   3  12.090  -0.458  -6.266
  171    HA   ASN   3           HA       ASN   3   9.464   0.833  -5.807
  172    HB2  ASN   3           HB2      ASN   3  10.561   2.867  -4.956
  173    HB3  ASN   3           HB3      ASN   3  10.824   1.479  -3.915
  174   HD21  ASN   3          HD21      ASN   3  12.991   0.585  -3.736
  175   HD22  ASN   3          HD22      ASN   3  14.373   1.474  -4.359
  176    H    GLN   4           H        GLN   4   8.838   2.442  -7.206
  177    HA   GLN   4           HA       GLN   4  10.329   2.845  -9.740
  178    HB2  GLN   4           HB2      GLN   4   7.740   1.241  -9.461
  179    HB3  GLN   4           HB3      GLN   4   8.366   1.825 -10.994
  180    HG2  GLN   4           HG2      GLN   4   9.727  -0.241  -9.208
  181    HG3  GLN   4           HG3      GLN   4   8.811  -0.559 -10.667
  182   HE21  GLN   4          HE21      GLN   4  11.389  -1.543 -10.576
  183   HE22  GLN   4          HE22      GLN   4  12.397  -0.593 -11.657
  184    H    HIS   5           H        HIS   5   9.151   4.213 -11.244
  185    HA   HIS   5           HA       HIS   5   7.049   5.971 -10.060
  186    HD1  HIS   5           HD1      HIS   5   7.673   8.710  -9.912
  187    HD2  HIS   5           HD2      HIS   5  10.969   7.040 -11.929
  188    HE1  HIS   5           HE1      HIS   5   9.673  10.129  -9.286
  189    HB2  HIS   5           HB2      HIS   5   8.626   6.117 -12.667
  190    HB3  HIS   5           HB3      HIS   5   7.261   7.160 -12.267
  191    H    LEU   6           H        LEU   6   4.969   5.600 -10.557
  192    HA   LEU   6           HA       LEU   6   4.185   3.755 -12.759
  193    HG   LEU   6           HG       LEU   6   5.702   2.320 -10.510
  194    HB2  LEU   6           HB2      LEU   6   3.543   3.456  -9.795
  195    HB3  LEU   6           HB3      LEU   6   2.714   2.580 -11.068
  196   HD11  LEU   6          HD11      LEU   6   3.362   0.619  -9.569
  197   HD12  LEU   6          HD12      LEU   6   4.439   1.597  -8.562
  198   HD13  LEU   6          HD13      LEU   6   5.082   0.181  -9.417
  199   HD21  LEU   6          HD21      LEU   6   5.495   0.246 -11.843
  200   HD22  LEU   6          HD22      LEU   6   5.037   1.648 -12.821
  201   HD23  LEU   6          HD23      LEU   6   3.779   0.590 -12.149
  202    H    CYS   7           H        CYS   7   2.559   4.630 -13.850
  203    HA   CYS   7           HA       CYS   7   0.577   6.427 -12.510
  204    HB2  CYS   7           HB2      CYS   7   1.762   6.663 -15.298
  205    HB3  CYS   7           HB3      CYS   7   0.516   7.701 -14.627
  206    H    GLY   8           H        GLY   8  -1.514   6.064 -13.087
  207    HA2  GLY   8           HA2      GLY   8  -3.421   5.081 -13.970
  208    HA3  GLY   8           HA3      GLY   8  -2.555   5.308 -15.486
  209    H    SER   9           H        SER   9  -2.370   3.579 -16.703
  210    HA   SER   9           HA       SER   9  -3.337   0.994 -15.965
  211    HG   SER   9           HG       SER   9  -3.584  -0.225 -18.222
  212    HB2  SER   9           HB2      SER   9  -3.250   1.981 -18.277
  213    HB3  SER   9           HB3      SER   9  -1.494   1.732 -18.277
  214    H    HIS  10           H        HIS  10   0.008   2.296 -16.013
  215    HA   HIS  10           HA       HIS  10   1.304  -0.253 -15.535
  216    HD1  HIS  10           HD1      HIS  10   3.412   0.001 -17.631
  217    HD2  HIS  10           HD2      HIS  10   1.862   3.887 -17.189
  218    HE1  HIS  10           HE1      HIS  10   3.456   1.055 -19.950
  219    HB2  HIS  10           HB2      HIS  10   2.261   2.580 -14.955
  220    HB3  HIS  10           HB3      HIS  10   3.270   1.142 -15.036
  221    H    LEU  11           H        LEU  11   0.108   2.364 -13.426
  222    HA   LEU  11           HA       LEU  11   0.975   1.185 -10.929
  223    HG   LEU  11           HG       LEU  11  -1.613   2.332  -9.325
  224    HB2  LEU  11           HB2      LEU  11   0.428   3.582 -11.204
  225    HB3  LEU  11           HB3      LEU  11  -1.242   3.187 -11.586
  226   HD11  LEU  11          HD11      LEU  11   0.090   2.716  -7.542
  227   HD12  LEU  11          HD12      LEU  11   1.280   3.137  -8.784
  228   HD13  LEU  11          HD13      LEU  11   0.610   1.487  -8.703
  229   HD21  LEU  11          HD21      LEU  11  -1.482   4.464  -8.139
  230   HD22  LEU  11          HD22      LEU  11  -1.999   4.711  -9.815
  231   HD23  LEU  11          HD23      LEU  11  -0.329   5.095  -9.337
  232    H    VAL  12           H        VAL  12  -2.129   1.068 -12.700
  233    HA   VAL  12           HA       VAL  12  -3.484  -0.696 -10.927
  234    HB   VAL  12           HB       VAL  12  -3.801  -0.084 -13.875
  235   HG11  VAL  12          HG11      VAL  12  -4.673  -2.364 -13.695
  236   HG12  VAL  12          HG12      VAL  12  -5.626  -1.911 -12.260
  237   HG13  VAL  12          HG13      VAL  12  -6.007  -1.217 -13.846
  238   HG21  VAL  12          HG21      VAL  12  -5.809   1.084 -13.095
  239   HG22  VAL  12          HG22      VAL  12  -5.551   0.488 -11.440
  240   HG23  VAL  12          HG23      VAL  12  -4.422   1.649 -12.159
  241    H    GLU  13           H        GLU  13  -1.334  -1.483 -13.688
  242    HA   GLU  13           HA       GLU  13  -1.622  -4.325 -13.508
  243    HB2  GLU  13           HB2      GLU  13  -0.598  -3.003 -15.416
  244    HB3  GLU  13           HB3      GLU  13   0.819  -2.735 -14.406
  245    HG2  GLU  13           HG2      GLU  13   1.354  -4.532 -15.842
  246    HG3  GLU  13           HG3      GLU  13   1.100  -5.256 -14.265
  247    H    ALA  14           H        ALA  14   0.814  -2.110 -12.003
  248    HA   ALA  14           HA       ALA  14   2.238  -4.151 -10.594
  249    HB1  ALA  14           HB1      ALA  14   1.875  -1.201  -9.919
  250    HB2  ALA  14           HB2      ALA  14   3.163  -2.270  -9.307
  251    HB3  ALA  14           HB3      ALA  14   3.085  -1.859 -11.035
  252    H    LEU  15           H        LEU  15  -0.533  -2.121  -9.543
  253    HA   LEU  15           HA       LEU  15  -0.860  -3.186  -6.915
  254    HG   LEU  15           HG       LEU  15  -1.050  -0.580  -7.506
  255    HB2  LEU  15           HB2      LEU  15  -2.731  -1.990  -8.994
  256    HB3  LEU  15           HB3      LEU  15  -3.344  -2.560  -7.455
  257   HD11  LEU  15          HD11      LEU  15  -2.747   1.226  -7.306
  258   HD12  LEU  15          HD12      LEU  15  -4.026   0.034  -7.639
  259   HD13  LEU  15          HD13      LEU  15  -2.834   0.409  -8.877
  260   HD21  LEU  15          HD21      LEU  15  -1.916  -0.012  -5.273
  261   HD22  LEU  15          HD22      LEU  15  -1.663  -1.761  -5.349
  262   HD23  LEU  15          HD23      LEU  15  -3.299  -1.098  -5.494
  263    H    TYR  16           H        TYR  16  -2.331  -4.365 -10.022
  264    HA   TYR  16           HA       TYR  16  -3.585  -6.602  -8.752
  265    HD1  TYR  16           HD1      TYR  16  -5.750  -7.450  -9.753
  266    HD2  TYR  16           HD2      TYR  16  -2.617  -8.545 -12.506
  267    HE1  TYR  16           HE1      TYR  16  -6.767  -9.707 -10.013
  268    HE2  TYR  16           HE2      TYR  16  -3.628 -10.795 -12.771
  269    HH   TYR  16           HH       TYR  16  -5.343 -12.211 -12.150
  270    HB2  TYR  16           HB2      TYR  16  -4.205  -5.711 -10.995
  271    HB3  TYR  16           HB3      TYR  16  -2.690  -6.330 -11.646
  272    H    LEU  17           H        LEU  17  -0.275  -6.243 -10.028
  273    HA   LEU  17           HA       LEU  17   0.394  -9.042  -9.674
  274    HG   LEU  17           HG       LEU  17   0.829  -7.455 -12.051
  275    HB2  LEU  17           HB2      LEU  17   2.069  -6.513  -9.987
  276    HB3  LEU  17           HB3      LEU  17   2.801  -8.098  -9.815
  277   HD11  LEU  17          HD11      LEU  17   3.877  -7.369 -12.079
  278   HD12  LEU  17          HD12      LEU  17   2.791  -5.973 -12.231
  279   HD13  LEU  17          HD13      LEU  17   2.810  -7.207 -13.500
  280   HD21  LEU  17          HD21      LEU  17   1.071  -9.864 -11.604
  281   HD22  LEU  17          HD22      LEU  17   2.836  -9.718 -11.684
  282   HD23  LEU  17          HD23      LEU  17   1.851  -9.436 -13.132
  283    H    VAL  18           H        VAL  18   0.688  -6.253  -7.537
  284    HA   VAL  18           HA       VAL  18   1.988  -7.786  -5.416
  285    HB   VAL  18           HB       VAL  18   0.613  -5.076  -5.388
  286   HG11  VAL  18          HG11      VAL  18   2.245  -6.390  -3.172
  287   HG12  VAL  18          HG12      VAL  18   1.782  -4.677  -3.224
  288   HG13  VAL  18          HG13      VAL  18   0.535  -5.916  -3.091
  289   HG21  VAL  18          HG21      VAL  18   2.768  -5.247  -6.700
  290   HG22  VAL  18          HG22      VAL  18   2.930  -4.203  -5.283
  291   HG23  VAL  18          HG23      VAL  18   3.578  -5.860  -5.255
  292    H    CYS  19           H        CYS  19  -1.389  -6.894  -6.121
  293    HA   CYS  19           HA       CYS  19  -2.311  -8.135  -3.567
  294    HB2  CYS  19           HB2      CYS  19  -3.688  -6.195  -5.447
  295    HB3  CYS  19           HB3      CYS  19  -4.286  -6.747  -3.889
  296    H    GLY  20           H        GLY  20  -2.253  -9.088  -6.829
  297    HA2  GLY  20           HA2      GLY  20  -4.931 -10.100  -7.091
  298    HA3  GLY  20           HA3      GLY  20  -3.550 -10.536  -8.115
  299    H    GLU  21           H        GLU  21  -4.730 -13.528  -5.983
  300    HA   GLU  21           HA       GLU  21  -6.091 -11.781  -7.916
  301    HB2  GLU  21           HB2      GLU  21  -6.909 -14.378  -6.549
  302    HB3  GLU  21           HB3      GLU  21  -7.831 -13.551  -7.811
  303    HG2  GLU  21           HG2      GLU  21  -5.935 -13.798  -9.385
  304    HG3  GLU  21           HG3      GLU  21  -5.019 -14.680  -8.152
  305    H    ARG  22           H        ARG  22  -5.772 -11.481  -4.610
  306    HA   ARG  22           HA       ARG  22  -8.423 -11.354  -3.598
  307    HE   ARG  22           HE       ARG  22  -6.264 -10.181   0.091
  308    HB2  ARG  22           HB2      ARG  22  -5.864  -9.993  -2.659
  309    HB3  ARG  22           HB3      ARG  22  -7.368 -10.047  -1.743
  310    HG2  ARG  22           HG2      ARG  22  -7.263 -12.389  -1.408
  311    HG3  ARG  22           HG3      ARG  22  -6.027 -12.612  -2.651
  312    HD2  ARG  22           HD2      ARG  22  -5.077 -12.843  -0.421
  313    HD3  ARG  22           HD3      ARG  22  -4.350 -11.497  -1.310
  314   HH11  ARG  22          HH21      ARG  22  -3.835 -12.478   1.278
  315   HH12  ARG  22          HH22      ARG  22  -3.798 -11.730   2.847
  316   HH21  ARG  22          HH11      ARG  22  -6.177  -9.296   2.017
  317   HH22  ARG  22          HH12      ARG  22  -5.141  -9.925   3.286
  318    H    GLY  23           H        GLY  23  -6.442  -8.810  -5.092
  319    HA2  GLY  23           HA2      GLY  23  -7.325  -6.976  -6.344
  320    HA3  GLY  23           HA3      GLY  23  -8.862  -7.093  -5.468
  321    H    PHE  24           H        PHE  24  -8.187  -4.669  -5.650
  322    HA   PHE  24           HA       PHE  24  -6.936  -3.776  -3.118
  323    HD1  PHE  24           HD1      PHE  24  -6.270  -1.015  -6.377
  324    HD2  PHE  24           HD2      PHE  24  -5.373  -5.219  -6.674
  325    HE1  PHE  24           HE1      PHE  24  -6.355  -0.861  -8.856
  326    HE2  PHE  24           HE2      PHE  24  -5.498  -5.065  -9.144
  327    HZ   PHE  24           HZ       PHE  24  -5.975  -2.891 -10.235
  328    HB2  PHE  24           HB2      PHE  24  -5.381  -2.300  -4.419
  329    HB3  PHE  24           HB3      PHE  24  -5.064  -4.009  -4.571
  330    H    PHE  25           H        PHE  25  -7.026  -1.509  -2.741
  331    HA   PHE  25           HA       PHE  25  -9.545  -0.241  -3.718
  332    HD1  PHE  25           HD2      PHE  25 -11.479  -1.164  -2.675
  333    HD2  PHE  25           HD1      PHE  25  -8.543  -2.106   0.347
  334    HE1  PHE  25           HE2      PHE  25 -12.839  -3.115  -1.956
  335    HE2  PHE  25           HE1      PHE  25  -9.915  -4.049   1.060
  336    HZ   PHE  25           HZ       PHE  25 -12.065  -4.546  -0.080
  337    HB2  PHE  25           HB2      PHE  25  -8.240  -0.189  -0.972
  338    HB3  PHE  25           HB3      PHE  25  -9.753   0.594  -1.398
  339    H    TYR  26           H        TYR  26  -6.880   0.295  -4.876
  340    HA   TYR  26           HA       TYR  26  -5.616   2.578  -3.931
  341    HD1  TYR  26           HD2      TYR  26  -7.762   0.996  -6.954
  342    HD2  TYR  26           HD1      TYR  26  -4.282   3.277  -8.108
  343    HE1  TYR  26           HE2      TYR  26  -8.722   1.328  -9.207
  344    HE2  TYR  26           HE1      TYR  26  -5.252   3.622 -10.359
  345    HH   TYR  26           HH       TYR  26  -7.052   3.236 -11.754
  346    HB2  TYR  26           HB2      TYR  26  -4.490   2.645  -5.902
  347    HB3  TYR  26           HB3      TYR  26  -4.990   0.973  -5.826
  348    H    THR  27           H        THR  27  -5.560   4.778  -4.482
  349    HA   THR  27           HA       THR  27  -7.697   6.171  -5.827
  350    HB   THR  27           HB       THR  27  -9.076   5.433  -4.029
  351    HG1  THR  27           HG1      THR  27  -9.734   7.365  -3.292
  352   HG21  THR  27          HG21      THR  27  -8.570   6.043  -1.644
  353   HG22  THR  27          HG22      THR  27  -6.906   6.435  -2.141
  354   HG23  THR  27          HG23      THR  27  -7.525   4.779  -2.300
  355    HA   PRO  28           HA       PRO  28  -4.706   9.518  -5.002
  356    HB2  PRO  28           HB2      PRO  28  -6.049  11.672  -5.964
  357    HB3  PRO  28           HB3      PRO  28  -5.405  10.399  -7.045
  358    HG2  PRO  28           HG2      PRO  28  -8.235  10.657  -5.965
  359    HG3  PRO  28           HG3      PRO  28  -7.728  10.421  -7.669
  360    HD2  PRO  28           HD2      PRO  28  -8.484   8.345  -6.072
  361    HD3  PRO  28           HD3      PRO  28  -7.184   8.165  -7.279
  362    H    LYS  29           H        LYS  29  -7.898   9.214  -3.646
  363    HA   LYS  29           HA       LYS  29  -8.947   9.898  -1.800
  364    HB2  LYS  29           HB2      LYS  29  -6.253  10.868  -0.765
  365    HB3  LYS  29           HB3      LYS  29  -7.713  10.593   0.174
  366    HG2  LYS  29           HG2      LYS  29  -7.672   8.175  -0.521
  367    HG3  LYS  29           HG3      LYS  29  -6.120   8.484  -1.318
  368    HD2  LYS  29           HD2      LYS  29  -5.659   7.485   0.803
  369    HD3  LYS  29           HD3      LYS  29  -5.154   9.182   0.879
  370    HE2  LYS  29           HE2      LYS  29  -7.254   9.755   2.081
  371    HE3  LYS  29           HE3      LYS  29  -7.802   8.078   1.946
  372    HZ1  LYS  29           HZ1      LYS  29  -5.901   7.419   3.314
  373    HZ2  LYS  29           HZ2      LYS  29  -6.813   8.514   4.110
  374    HZ3  LYS  29           HZ3      LYS  29  -5.397   8.971   3.438
  375    H    THR  30           H        THR  30  -8.013  12.038  -3.995
  376    HA   THR  30           HA       THR  30  -8.500  14.623  -2.816
  377    HB   THR  30           HB       THR  30  -8.883  15.313  -5.218
  378    HG1  THR  30           HG1      THR  30  -9.558  13.223  -5.916
  379   HG21  THR  30          HG21      THR  30  -6.526  15.005  -5.875
  380   HG22  THR  30          HG22      THR  30  -6.313  13.783  -4.606
  381   HG23  THR  30          HG23      THR  30  -6.658  15.470  -4.172
  Start of MODEL   49
    1    H1   GLY   1           H1       GLY   1   0.134   9.153  -1.200
    2    H2   GLY   1           H2       GLY   1  -1.128   9.906  -0.470
    3    H3   GLY   1           H3       GLY   1  -0.489  10.524  -1.846
    4    HA2  GLY   1           HA2      GLY   1  -1.955   7.973  -1.619
    5    HA3  GLY   1           HA3      GLY   1  -2.575   9.462  -2.356
    6    H    ILE   2           H        ILE   2  -1.381   6.514  -3.130
    7    HA   ILE   2           HA       ILE   2   0.904   6.894  -4.676
    8    HB   ILE   2           HB       ILE   2   0.360   4.694  -5.765
    9   HG12  ILE   2          HG12      ILE   2  -2.126   4.685  -4.000
   10   HG13  ILE   2          HG13      ILE   2  -2.146   4.938  -5.744
   11   HG21  ILE   2          HG21      ILE   2   1.677   4.908  -3.746
   12   HG22  ILE   2          HG22      ILE   2   0.227   4.954  -2.742
   13   HG23  ILE   2          HG23      ILE   2   0.654   3.470  -3.614
   14   HD11  ILE   2          HD11      ILE   2  -1.172   2.695  -6.100
   15   HD12  ILE   2          HD12      ILE   2  -1.190   2.417  -4.344
   16   HD13  ILE   2          HD13      ILE   2  -2.713   2.639  -5.215
   17    H    VAL   3           H        VAL   3  -2.345   7.349  -5.923
   18    HA   VAL   3           HA       VAL   3  -1.633   7.126  -8.655
   19    HB   VAL   3           HB       VAL   3  -3.891   8.834  -7.528
   20   HG11  VAL   3          HG11      VAL   3  -5.009   8.372  -9.721
   21   HG12  VAL   3          HG12      VAL   3  -3.556   9.351  -9.905
   22   HG13  VAL   3          HG13      VAL   3  -3.515   7.621 -10.309
   23   HG21  VAL   3          HG21      VAL   3  -3.799   5.883  -8.285
   24   HG22  VAL   3          HG22      VAL   3  -4.120   6.589  -6.680
   25   HG23  VAL   3          HG23      VAL   3  -5.296   6.785  -7.981
   26    H    GLU   4           H        GLU   4  -1.450   9.975  -6.560
   27    HA   GLU   4           HA       GLU   4  -0.226  11.586  -8.758
   28    HB2  GLU   4           HB2      GLU   4  -0.858  12.265  -5.857
   29    HB3  GLU   4           HB3      GLU   4  -0.079  13.351  -7.021
   30    HG2  GLU   4           HG2      GLU   4  -2.087  13.194  -8.492
   31    HG3  GLU   4           HG3      GLU   4  -2.887  12.190  -7.272
   32    H    GLN   5           H        GLN   5   0.570  10.207  -5.538
   33    HA   GLN   5           HA       GLN   5   3.171  11.302  -5.379
   34    HB2  GLN   5           HB2      GLN   5   1.729  10.560  -3.518
   35    HB3  GLN   5           HB3      GLN   5   1.943   8.872  -4.013
   36    HG2  GLN   5           HG2      GLN   5   4.354   9.005  -3.493
   37    HG3  GLN   5           HG3      GLN   5   4.164  10.706  -3.037
   38   HE21  GLN   5          HE21      GLN   5   5.233   9.342  -1.031
   39   HE22  GLN   5          HE22      GLN   5   4.035   8.891   0.168
   40    H    CYS   6           H        CYS   6   2.159   8.062  -6.648
   41    HA   CYS   6           HA       CYS   6   4.979   7.213  -6.852
   42    HB2  CYS   6           HB2      CYS   6   2.868   5.796  -6.276
   43    HB3  CYS   6           HB3      CYS   6   2.579   5.786  -8.010
   44    H    CYS   7           H        CYS   7   2.767   8.945  -8.781
   45    HA   CYS   7           HA       CYS   7   4.093   8.290 -11.351
   46    HB2  CYS   7           HB2      CYS   7   1.626   8.425 -11.148
   47    HB3  CYS   7           HB3      CYS   7   1.760  10.123 -10.696
   48    H    THR   8           H        THR   8   3.697  11.088  -9.159
   49    HA   THR   8           HA       THR   8   5.488  12.806 -10.754
   50    HB   THR   8           HB       THR   8   5.150  14.456  -8.949
   51    HG1  THR   8           HG1      THR   8   3.282  12.593  -7.887
   52   HG21  THR   8          HG21      THR   8   2.801  14.913  -9.387
   53   HG22  THR   8          HG22      THR   8   2.537  13.254  -9.963
   54   HG23  THR   8          HG23      THR   8   3.592  14.358 -10.867
   55    H    SER   9           H        SER   9   5.628  11.162  -7.598
   56    HA   SER   9           HA       SER   9   8.626  11.272  -7.691
   57    HG   SER   9           HG       SER   9   6.923  13.058  -6.029
   58    HB2  SER   9           HB2      SER   9   6.824  10.867  -5.276
   59    HB3  SER   9           HB3      SER   9   8.596  10.868  -5.291
   60    H    ILE  10           H        ILE  10   8.305   8.954  -5.607
   61    HA   ILE  10           HA       ILE  10   7.714   6.745  -7.526
   62    HB   ILE  10           HB       ILE  10   9.646   5.509  -6.629
   63   HG12  ILE  10          HG12      ILE  10  10.584   8.124  -5.365
   64   HG13  ILE  10          HG13      ILE  10   9.900   6.762  -4.474
   65   HG21  ILE  10          HG21      ILE  10  11.324   6.544  -8.020
   66   HG22  ILE  10          HG22      ILE  10   9.750   6.763  -8.770
   67   HG23  ILE  10          HG23      ILE  10  10.514   8.121  -7.921
   68   HD11  ILE  10          HD11      ILE  10  12.291   6.663  -4.299
   69   HD12  ILE  10          HD12      ILE  10  11.737   5.299  -5.289
   70   HD13  ILE  10          HD13      ILE  10  12.493   6.723  -6.059
   71    H    CYS  11           H        CYS  11   7.380   4.657  -6.465
   72    HA   CYS  11           HA       CYS  11   7.034   4.671  -3.551
   73    HB2  CYS  11           HB2      CYS  11   4.816   3.869  -3.466
   74    HB3  CYS  11           HB3      CYS  11   4.798   5.348  -4.411
   75    H    SER  12           H        SER  12   6.737   2.568  -2.627
   76    HA   SER  12           HA       SER  12   8.185   0.437  -4.134
   77    HG   SER  12           HG       SER  12   9.224  -0.953  -1.080
   78    HB2  SER  12           HB2      SER  12   9.010   1.148  -1.902
   79    HB3  SER  12           HB3      SER  12   7.465   0.608  -1.200
   80    H    LEU  13           H        LEU  13   7.532  -1.764  -3.856
   81    HA   LEU  13           HA       LEU  13   4.730  -2.330  -4.439
   82    HG   LEU  13           HG       LEU  13   7.717  -3.182  -5.675
   83    HB2  LEU  13           HB2      LEU  13   7.010  -4.176  -3.581
   84    HB3  LEU  13           HB3      LEU  13   5.473  -4.674  -4.260
   85   HD11  LEU  13          HD11      LEU  13   7.826  -5.200  -7.069
   86   HD12  LEU  13          HD12      LEU  13   6.469  -5.915  -6.177
   87   HD13  LEU  13          HD13      LEU  13   8.021  -5.621  -5.361
   88   HD21  LEU  13          HD21      LEU  13   5.648  -2.246  -6.570
   89   HD22  LEU  13          HD22      LEU  13   4.980  -3.883  -6.808
   90   HD23  LEU  13          HD23      LEU  13   6.376  -3.332  -7.755
   91    H    TYR  14           H        TYR  14   6.774  -2.403  -1.561
   92    HA   TYR  14           HA       TYR  14   4.917  -3.540   0.284
   93    HD1  TYR  14           HD2      TYR  14   6.101  -4.655   2.437
   94    HD2  TYR  14           HD1      TYR  14   6.697  -0.397   2.733
   95    HE1  TYR  14           HE2      TYR  14   5.670  -4.768   4.886
   96    HE2  TYR  14           HE1      TYR  14   6.274  -0.498   5.179
   97    HH   TYR  14           HH       TYR  14   5.771  -1.850   6.981
   98    HB2  TYR  14           HB2      TYR  14   7.348  -3.258   0.650
   99    HB3  TYR  14           HB3      TYR  14   7.154  -1.510   0.678
  100    H    GLN  15           H        GLN  15   5.050  -0.336  -1.126
  101    HA   GLN  15           HA       GLN  15   3.128   0.834   0.835
  102    HB2  GLN  15           HB2      GLN  15   4.481   2.002  -1.632
  103    HB3  GLN  15           HB3      GLN  15   3.343   2.864  -0.604
  104    HG2  GLN  15           HG2      GLN  15   4.813   2.670   1.324
  105    HG3  GLN  15           HG3      GLN  15   5.964   1.682   0.428
  106   HE21  GLN  15          HE21      GLN  15   5.353   4.885   1.408
  107   HE22  GLN  15          HE22      GLN  15   6.368   5.664   0.203
  108    H    LEU  16           H        LEU  16   3.230  -0.231  -2.630
  109    HA   LEU  16           HA       LEU  16   0.485   0.278  -3.225
  110    HG   LEU  16           HG       LEU  16   3.224   0.097  -4.898
  111    HB2  LEU  16           HB2      LEU  16   2.267  -2.030  -4.133
  112    HB3  LEU  16           HB3      LEU  16   0.718  -1.617  -4.843
  113   HD11  LEU  16          HD11      LEU  16   3.201  -0.390  -7.302
  114   HD12  LEU  16          HD12      LEU  16   1.725  -1.358  -7.119
  115   HD13  LEU  16          HD13      LEU  16   3.242  -1.903  -6.382
  116   HD21  LEU  16          HD21      LEU  16   1.967   1.558  -6.441
  117   HD22  LEU  16          HD22      LEU  16   1.257   1.571  -4.825
  118   HD23  LEU  16          HD23      LEU  16   0.481   0.630  -6.127
  119    H    GLU  17           H        GLU  17   1.935  -2.470  -1.484
  120    HA   GLU  17           HA       GLU  17  -0.307  -4.091  -1.238
  121    HB2  GLU  17           HB2      GLU  17   2.084  -4.547  -0.556
  122    HB3  GLU  17           HB3      GLU  17   1.762  -3.660   0.937
  123    HG2  GLU  17           HG2      GLU  17  -0.023  -5.296   1.507
  124    HG3  GLU  17           HG3      GLU  17   0.260  -6.137  -0.026
  125    H    ASN  18           H        ASN  18   0.201  -1.011   0.423
  126    HA   ASN  18           HA       ASN  18  -1.676  -1.407   2.574
  127    HB2  ASN  18           HB2      ASN  18   0.158   0.324   2.439
  128    HB3  ASN  18           HB3      ASN  18  -0.799   1.181   1.225
  129   HD21  ASN  18          HD22      ASN  18  -0.921  -0.029   4.612
  130   HD22  ASN  18          HD21      ASN  18  -2.032   1.214   5.172
  131    H    TYR  19           H        TYR  19  -2.113  -0.714  -0.835
  132    HA   TYR  19           HA       TYR  19  -4.880   0.282  -0.512
  133    HD1  TYR  19           HD1      TYR  19  -1.201   1.227  -1.574
  134    HD2  TYR  19           HD2      TYR  19  -5.075   3.015  -2.173
  135    HE1  TYR  19           HE1      TYR  19  -0.286   3.413  -0.867
  136    HE2  TYR  19           HE2      TYR  19  -4.157   5.224  -1.481
  137    HH   TYR  19           HH       TYR  19  -0.735   5.645  -0.488
  138    HB2  TYR  19           HB2      TYR  19  -3.004   0.088  -2.894
  139    HB3  TYR  19           HB3      TYR  19  -4.619   0.756  -2.937
  140    H    CYS  20           H        CYS  20  -3.510  -2.755  -0.726
  141    HA   CYS  20           HA       CYS  20  -5.442  -4.089  -2.431
  142    HB2  CYS  20           HB2      CYS  20  -3.823  -5.184  -0.099
  143    HB3  CYS  20           HB3      CYS  20  -4.642  -6.128  -1.342
  144    H    ASN  21           H        ASN  21  -7.123  -5.507  -1.782
  145    HA   ASN  21           HA       ASN  21  -8.835  -4.539   0.397
  146    HB2  ASN  21           HB2      ASN  21  -9.782  -5.060  -1.794
  147    HB3  ASN  21           HB3      ASN  21  -9.141  -6.700  -1.721
  148   HD21  ASN  21          HD21      ASN  21  -9.891  -7.953   0.297
  149   HD22  ASN  21          HD22      ASN  21 -11.631  -7.855   0.606
  150    HA   PHE   1           HA       PHE   1  13.102  -1.267  -3.923
  151    HD1  PHE   1           HD2      PHE   1  14.403  -5.214  -2.770
  152    HD2  PHE   1           HD1      PHE   1  17.077  -1.815  -2.796
  153    HE1  PHE   1           HE2      PHE   1  15.916  -6.382  -1.194
  154    HE2  PHE   1           HE1      PHE   1  18.580  -2.994  -1.215
  155    HZ   PHE   1           HZ       PHE   1  17.997  -5.268  -0.403
  156    H1   PHE   1           H1       PHE   1  14.158  -1.938  -1.260
  157    H2   PHE   1           H2       PHE   1  13.001  -0.818  -1.576
  158    H3   PHE   1           H3       PHE   1  14.525  -0.584  -2.122
  159    HB2  PHE   1           HB2      PHE   1  14.357  -3.408  -4.595
  160    HB3  PHE   1           HB3      PHE   1  15.246  -1.933  -4.385
  161    H    VAL   2           H        VAL   2  10.894  -4.040  -3.830
  162    HA   VAL   2           HA       VAL   2  12.563  -2.435  -5.669
  163    HB   VAL   2           HB       VAL   2  10.054  -4.073  -6.156
  164   HG11  VAL   2          HG11      VAL   2  10.146  -2.317  -7.841
  165   HG12  VAL   2          HG12      VAL   2  11.864  -2.656  -8.156
  166   HG13  VAL   2          HG13      VAL   2  10.616  -3.842  -8.579
  167   HG21  VAL   2          HG21      VAL   2  12.980  -4.617  -6.826
  168   HG22  VAL   2          HG22      VAL   2  12.028  -5.470  -5.598
  169   HG23  VAL   2          HG23      VAL   2  11.604  -5.638  -7.304
  170    H    ASN   3           H        ASN   3  12.080  -0.446  -6.352
  171    HA   ASN   3           HA       ASN   3   9.450   0.767  -5.830
  172    HB2  ASN   3           HB2      ASN   3  10.569   2.804  -4.829
  173    HB3  ASN   3           HB3      ASN   3  10.555   1.356  -3.830
  174   HD21  ASN   3          HD21      ASN   3  12.729   3.326  -5.955
  175   HD22  ASN   3          HD22      ASN   3  14.182   2.776  -5.151
  176    H    GLN   4           H        GLN   4   8.827   2.385  -7.187
  177    HA   GLN   4           HA       GLN   4  10.501   2.849  -9.621
  178    HB2  GLN   4           HB2      GLN   4   7.804   1.403  -9.541
  179    HB3  GLN   4           HB3      GLN   4   8.697   1.851 -10.998
  180    HG2  GLN   4           HG2      GLN   4  10.564   0.328 -10.265
  181    HG3  GLN   4           HG3      GLN   4   9.543  -0.213  -8.927
  182   HE21  GLN   4          HE21      GLN   4   7.375  -1.234  -9.516
  183   HE22  GLN   4          HE22      GLN   4   7.314  -2.106 -11.038
  184    H    HIS   5           H        HIS   5   9.425   4.227 -11.213
  185    HA   HIS   5           HA       HIS   5   7.339   6.091 -10.191
  186    HD1  HIS   5           HD1      HIS   5   8.286   8.796 -10.284
  187    HD2  HIS   5           HD2      HIS   5  11.170   6.790 -12.586
  188    HE1  HIS   5           HE1      HIS   5  10.418  10.161 -10.092
  189    HB2  HIS   5           HB2      HIS   5   8.769   5.909 -12.879
  190    HB3  HIS   5           HB3      HIS   5   7.512   7.065 -12.477
  191    H    LEU   6           H        LEU   6   5.232   5.677 -10.660
  192    HA   LEU   6           HA       LEU   6   4.430   3.834 -12.848
  193    HG   LEU   6           HG       LEU   6   5.832   2.274 -10.643
  194    HB2  LEU   6           HB2      LEU   6   3.756   3.529  -9.903
  195    HB3  LEU   6           HB3      LEU   6   2.869   2.717 -11.181
  196   HD11  LEU   6          HD11      LEU   6   3.403   0.700  -9.726
  197   HD12  LEU   6          HD12      LEU   6   4.550   1.580  -8.701
  198   HD13  LEU   6          HD13      LEU   6   5.089   0.150  -9.598
  199   HD21  LEU   6          HD21      LEU   6   5.130   1.681 -12.955
  200   HD22  LEU   6          HD22      LEU   6   3.805   0.690 -12.299
  201   HD23  LEU   6          HD23      LEU   6   5.498   0.240 -12.006
  202    H    CYS   7           H        CYS   7   2.716   4.614 -13.902
  203    HA   CYS   7           HA       CYS   7   0.866   6.582 -12.622
  204    HB2  CYS   7           HB2      CYS   7   2.020   6.643 -15.440
  205    HB3  CYS   7           HB3      CYS   7   0.845   7.781 -14.799
  206    H    GLY   8           H        GLY   8  -1.256   6.295 -13.150
  207    HA2  GLY   8           HA2      GLY   8  -3.215   5.386 -14.011
  208    HA3  GLY   8           HA3      GLY   8  -2.336   5.503 -15.529
  209    H    SER   9           H        SER   9  -2.433   3.710 -16.686
  210    HA   SER   9           HA       SER   9  -3.424   1.212 -15.798
  211    HG   SER   9           HG       SER   9  -3.727   2.035 -19.269
  212    HB2  SER   9           HB2      SER   9  -1.672   1.775 -18.216
  213    HB3  SER   9           HB3      SER   9  -2.750   0.390 -17.988
  214    H    HIS  10           H        HIS  10  -0.047   2.380 -15.955
  215    HA   HIS  10           HA       HIS  10   1.152  -0.245 -15.492
  216    HD1  HIS  10           HD1      HIS  10   3.216  -0.190 -17.639
  217    HD2  HIS  10           HD2      HIS  10   1.785   3.756 -17.372
  218    HE1  HIS  10           HE1      HIS  10   3.197   0.727 -20.017
  219    HB2  HIS  10           HB2      HIS  10   2.246   2.566 -15.079
  220    HB3  HIS  10           HB3      HIS  10   3.193   1.084 -15.116
  221    H    LEU  11           H        LEU  11   0.152   2.488 -13.411
  222    HA   LEU  11           HA       LEU  11   1.058   1.309 -10.936
  223    HG   LEU  11           HG       LEU  11  -1.183   2.546  -9.142
  224    HB2  LEU  11           HB2      LEU  11   0.615   3.751 -11.291
  225    HB3  LEU  11           HB3      LEU  11  -1.097   3.397 -11.499
  226   HD11  LEU  11          HD11      LEU  11   0.675   3.115  -7.606
  227   HD12  LEU  11          HD12      LEU  11   1.665   3.604  -8.984
  228   HD13  LEU  11          HD13      LEU  11   1.169   1.898  -8.793
  229   HD21  LEU  11          HD21      LEU  11  -1.745   4.907  -9.747
  230   HD22  LEU  11          HD22      LEU  11  -0.065   5.373  -9.408
  231   HD23  LEU  11          HD23      LEU  11  -1.104   4.752  -8.106
  232    H    VAL  12           H        VAL  12  -2.088   1.295 -12.634
  233    HA   VAL  12           HA       VAL  12  -3.475  -0.380 -10.791
  234    HB   VAL  12           HB       VAL  12  -3.821  -0.024 -13.784
  235   HG11  VAL  12          HG11      VAL  12  -4.790  -2.221 -13.288
  236   HG12  VAL  12          HG12      VAL  12  -5.658  -1.541 -11.889
  237   HG13  VAL  12          HG13      VAL  12  -6.083  -1.051 -13.545
  238   HG21  VAL  12          HG21      VAL  12  -4.352   1.953 -12.367
  239   HG22  VAL  12          HG22      VAL  12  -5.790   1.309 -13.154
  240   HG23  VAL  12          HG23      VAL  12  -5.495   0.962 -11.433
  241    H    GLU  13           H        GLU  13  -1.475  -1.327 -13.629
  242    HA   GLU  13           HA       GLU  13  -1.825  -4.137 -13.356
  243    HB2  GLU  13           HB2      GLU  13  -0.856  -2.877 -15.328
  244    HB3  GLU  13           HB3      GLU  13   0.621  -2.656 -14.399
  245    HG2  GLU  13           HG2      GLU  13   1.018  -4.479 -15.835
  246    HG3  GLU  13           HG3      GLU  13   0.782  -5.206 -14.251
  247    H    ALA  14           H        ALA  14   0.743  -1.991 -11.991
  248    HA   ALA  14           HA       ALA  14   2.191  -4.079 -10.668
  249    HB1  ALA  14           HB1      ALA  14   1.933  -1.113  -9.995
  250    HB2  ALA  14           HB2      ALA  14   3.217  -2.202  -9.422
  251    HB3  ALA  14           HB3      ALA  14   3.091  -1.820 -11.148
  252    H    LEU  15           H        LEU  15  -0.397  -1.904  -9.442
  253    HA   LEU  15           HA       LEU  15  -0.495  -2.924  -6.796
  254    HG   LEU  15           HG       LEU  15  -3.680  -2.597  -6.512
  255    HB2  LEU  15           HB2      LEU  15  -1.479  -0.795  -7.597
  256    HB3  LEU  15           HB3      LEU  15  -2.662  -1.683  -8.554
  257   HD11  LEU  15          HD11      LEU  15  -1.687  -0.873  -4.981
  258   HD12  LEU  15          HD12      LEU  15  -1.716  -2.649  -4.996
  259   HD13  LEU  15          HD13      LEU  15  -3.063  -1.760  -4.288
  260   HD21  LEU  15          HD21      LEU  15  -4.477  -0.464  -7.449
  261   HD22  LEU  15          HD22      LEU  15  -3.282   0.432  -6.490
  262   HD23  LEU  15          HD23      LEU  15  -4.603  -0.428  -5.682
  263    H    TYR  16           H        TYR  16  -2.468  -3.885  -9.664
  264    HA   TYR  16           HA       TYR  16  -3.893  -6.022  -8.516
  265    HD1  TYR  16           HD1      TYR  16  -5.718  -7.376  -9.757
  266    HD2  TYR  16           HD2      TYR  16  -2.387  -7.595 -12.498
  267    HE1  TYR  16           HE1      TYR  16  -6.436  -9.652 -10.442
  268    HE2  TYR  16           HE2      TYR  16  -3.106  -9.871 -13.186
  269    HH   TYR  16           HH       TYR  16  -5.995 -11.475 -11.771
  270    HB2  TYR  16           HB2      TYR  16  -4.369  -5.242 -10.757
  271    HB3  TYR  16           HB3      TYR  16  -2.754  -5.613 -11.303
  272    H    LEU  17           H        LEU  17  -0.596  -6.122  -9.915
  273    HA   LEU  17           HA       LEU  17  -0.229  -8.959  -9.433
  274    HG   LEU  17           HG       LEU  17   0.122  -7.471 -11.935
  275    HB2  LEU  17           HB2      LEU  17   1.686  -6.681 -10.071
  276    HB3  LEU  17           HB3      LEU  17   2.223  -8.348  -9.902
  277   HD11  LEU  17          HD11      LEU  17   3.106  -7.969 -12.308
  278   HD12  LEU  17          HD12      LEU  17   2.294  -6.393 -12.407
  279   HD13  LEU  17          HD13      LEU  17   1.937  -7.645 -13.608
  280   HD21  LEU  17          HD21      LEU  17   0.656  -9.647 -13.008
  281   HD22  LEU  17          HD22      LEU  17  -0.046  -9.853 -11.405
  282   HD23  LEU  17          HD23      LEU  17   1.705 -10.057 -11.638
  283    H    VAL  18           H        VAL  18   0.523  -6.119  -7.486
  284    HA   VAL  18           HA       VAL  18   1.909  -7.582  -5.396
  285    HB   VAL  18           HB       VAL  18   0.557  -4.871  -5.453
  286   HG11  VAL  18          HG11      VAL  18   1.624  -4.403  -3.256
  287   HG12  VAL  18          HG12      VAL  18   0.327  -5.589  -3.125
  288   HG13  VAL  18          HG13      VAL  18   2.025  -6.127  -3.095
  289   HG21  VAL  18          HG21      VAL  18   2.881  -4.061  -5.284
  290   HG22  VAL  18          HG22      VAL  18   3.478  -5.726  -5.154
  291   HG23  VAL  18          HG23      VAL  18   2.742  -5.157  -6.657
  292    H    CYS  19           H        CYS  19  -1.518  -6.634  -5.850
  293    HA   CYS  19           HA       CYS  19  -2.294  -7.752  -3.268
  294    HB2  CYS  19           HB2      CYS  19  -3.986  -6.751  -5.581
  295    HB3  CYS  19           HB3      CYS  19  -4.548  -7.060  -3.939
  296    H    GLY  20           H        GLY  20  -2.294  -9.040  -6.538
  297    HA2  GLY  20           HA2      GLY  20  -2.817 -11.151  -7.355
  298    HA3  GLY  20           HA3      GLY  20  -2.824 -11.728  -5.680
  299    H    GLU  21           H        GLU  21  -4.626 -12.898  -5.536
  300    HA   GLU  21           HA       GLU  21  -7.051 -12.427  -6.967
  301    HB2  GLU  21           HB2      GLU  21  -6.480 -14.128  -4.506
  302    HB3  GLU  21           HB3      GLU  21  -7.967 -14.211  -5.449
  303    HG2  GLU  21           HG2      GLU  21  -5.184 -14.862  -6.506
  304    HG3  GLU  21           HG3      GLU  21  -6.400 -16.029  -6.014
  305    H    ARG  22           H        ARG  22  -5.963 -10.895  -4.044
  306    HA   ARG  22           HA       ARG  22  -8.397 -10.537  -2.619
  307    HE   ARG  22           HE       ARG  22  -4.022 -10.775   0.855
  308    HB2  ARG  22           HB2      ARG  22  -5.879  -8.828  -2.841
  309    HB3  ARG  22           HB3      ARG  22  -7.222  -8.425  -1.776
  310    HG2  ARG  22           HG2      ARG  22  -7.002 -10.551  -0.585
  311    HG3  ARG  22           HG3      ARG  22  -5.651 -11.034  -1.630
  312    HD2  ARG  22           HD2      ARG  22  -4.274  -9.218  -0.864
  313    HD3  ARG  22           HD3      ARG  22  -5.612  -8.459   0.000
  314   HH11  ARG  22          HH11      ARG  22  -6.963  -8.865   1.547
  315   HH12  ARG  22          HH12      ARG  22  -7.064  -9.492   3.163
  316   HH21  ARG  22          HH21      ARG  22  -4.256 -11.525   2.950
  317   HH22  ARG  22          HH22      ARG  22  -5.578 -10.982   3.936
  318    H    GLY  23           H        GLY  23  -7.028  -8.618  -5.292
  319    HA2  GLY  23           HA2      GLY  23  -7.964  -6.811  -6.515
  320    HA3  GLY  23           HA3      GLY  23  -9.435  -6.888  -5.521
  321    H    PHE  24           H        PHE  24  -8.869  -4.500  -5.787
  322    HA   PHE  24           HA       PHE  24  -7.459  -3.387  -3.440
  323    HD1  PHE  24           HD2      PHE  24  -7.143  -1.021  -6.860
  324    HD2  PHE  24           HD1      PHE  24  -5.897  -5.140  -7.018
  325    HE1  PHE  24           HE2      PHE  24  -7.429  -1.008  -9.326
  326    HE2  PHE  24           HE1      PHE  24  -6.258  -5.142  -9.476
  327    HZ   PHE  24           HZ       PHE  24  -6.988  -3.081 -10.640
  328    HB2  PHE  24           HB2      PHE  24  -5.891  -2.149  -4.916
  329    HB3  PHE  24           HB3      PHE  24  -5.644  -3.872  -4.979
  330    H    PHE  25           H        PHE  25  -7.430  -1.100  -3.386
  331    HA   PHE  25           HA       PHE  25 -10.040   0.049  -4.206
  332    HD1  PHE  25           HD2      PHE  25 -11.544  -0.218  -2.365
  333    HD2  PHE  25           HD1      PHE  25  -7.745  -0.552  -0.347
  334    HE1  PHE  25           HE2      PHE  25 -12.522  -1.864  -0.780
  335    HE2  PHE  25           HE1      PHE  25  -8.734  -2.173   1.249
  336    HZ   PHE  25           HZ       PHE  25 -11.119  -2.847   1.020
  337    HB2  PHE  25           HB2      PHE  25  -7.921   0.874  -2.190
  338    HB3  PHE  25           HB3      PHE  25  -9.494   1.652  -2.385
  339    H    TYR  26           H        TYR  26  -6.601   0.640  -4.618
  340    HA   TYR  26           HA       TYR  26  -5.332   1.864  -5.996
  341    HD1  TYR  26           HD1      TYR  26  -4.341   1.655  -8.530
  342    HD2  TYR  26           HD2      TYR  26  -7.829   4.174  -8.782
  343    HE1  TYR  26           HE1      TYR  26  -3.226   3.040 -10.270
  344    HE2  TYR  26           HE2      TYR  26  -6.712   5.561 -10.507
  345    HH   TYR  26           HH       TYR  26  -4.830   5.866 -11.785
  346    HB2  TYR  26           HB2      TYR  26  -6.679   0.925  -7.741
  347    HB3  TYR  26           HB3      TYR  26  -7.924   2.136  -7.538
  348    H    THR  27           H        THR  27  -8.237   3.726  -5.094
  349    HA   THR  27           HA       THR  27  -7.479   6.222  -6.064
  350    HB   THR  27           HB       THR  27  -9.070   7.163  -4.338
  351    HG1  THR  27           HG1      THR  27 -10.047   5.806  -2.957
  352   HG21  THR  27          HG21      THR  27 -11.059   6.068  -5.276
  353   HG22  THR  27          HG22      THR  27 -10.064   4.738  -5.909
  354   HG23  THR  27          HG23      THR  27  -9.871   6.387  -6.543
  355    HA   PRO  28           HA       PRO  28  -4.263   7.657  -3.456
  356    HB2  PRO  28           HB2      PRO  28  -4.352  10.370  -3.783
  357    HB3  PRO  28           HB3      PRO  28  -3.927   9.252  -5.116
  358    HG2  PRO  28           HG2      PRO  28  -6.630  10.502  -4.519
  359    HG3  PRO  28           HG3      PRO  28  -5.760  10.441  -6.090
  360    HD2  PRO  28           HD2      PRO  28  -7.700   8.638  -5.438
  361    HD3  PRO  28           HD3      PRO  28  -6.268   8.175  -6.395
  362    H    LYS  29           H        LYS  29  -7.511   8.688  -2.786
  363    HA   LYS  29           HA       LYS  29  -7.263   8.618   0.051
  364    HB2  LYS  29           HB2      LYS  29  -7.655  10.965   0.613
  365    HB3  LYS  29           HB3      LYS  29  -6.105  10.764  -0.180
  366    HG2  LYS  29           HG2      LYS  29  -7.162  11.541  -2.341
  367    HG3  LYS  29           HG3      LYS  29  -8.662  11.856  -1.459
  368    HD2  LYS  29           HD2      LYS  29  -5.954  13.153  -0.911
  369    HD3  LYS  29           HD3      LYS  29  -7.289  13.886  -1.810
  370    HE2  LYS  29           HE2      LYS  29  -8.740  13.742   0.208
  371    HE3  LYS  29           HE3      LYS  29  -7.400  13.053   1.124
  372    HZ1  LYS  29           HZ1      LYS  29  -6.157  15.100   0.769
  373    HZ2  LYS  29           HZ2      LYS  29  -7.586  15.444   1.479
  374    HZ3  LYS  29           HZ3      LYS  29  -7.385  15.745  -0.110
  375    H    THR  30           H        THR  30  -9.120   9.459  -2.790
  376    HA   THR  30           HA       THR  30 -11.664   9.959  -1.831
  377    HB   THR  30           HB       THR  30 -11.114   8.323  -4.325
  378    HG1  THR  30           HG1      THR  30 -10.679  10.318  -5.312
  379   HG21  THR  30          HG21      THR  30 -13.097  10.565  -3.707
  380   HG22  THR  30          HG22      THR  30 -13.495   8.835  -3.823
  381   HG23  THR  30          HG23      THR  30 -12.931   9.702  -5.256
  Start of MODEL   50
    1    H1   GLY   1           H1       GLY   1  -1.912  10.619  -1.862
    2    H2   GLY   1           H2       GLY   1  -1.692   9.388  -0.800
    3    H3   GLY   1           H3       GLY   1  -2.979  10.379  -0.638
    4    HA2  GLY   1           HA2      GLY   1  -3.693   8.279  -1.577
    5    HA3  GLY   1           HA3      GLY   1  -3.914   9.598  -2.733
    6    H    ILE   2           H        ILE   2  -3.218   6.544  -2.872
    7    HA   ILE   2           HA       ILE   2  -0.528   6.268  -3.563
    8    HB   ILE   2           HB       ILE   2  -2.060   4.470  -2.862
    9   HG12  ILE   2          HG12      ILE   2  -1.164   2.632  -4.247
   10   HG13  ILE   2          HG13      ILE   2  -0.515   3.804  -5.385
   11   HG21  ILE   2          HG21      ILE   2  -3.477   3.258  -4.411
   12   HG22  ILE   2          HG22      ILE   2  -3.985   4.947  -4.357
   13   HG23  ILE   2          HG23      ILE   2  -3.041   4.340  -5.741
   14   HD11  ILE   2          HD11      ILE   2   0.234   3.646  -2.423
   15   HD12  ILE   2          HD12      ILE   2   1.161   2.920  -3.742
   16   HD13  ILE   2          HD13      ILE   2   1.002   4.679  -3.656
   17    H    VAL   3           H        VAL   3  -3.170   6.972  -5.853
   18    HA   VAL   3           HA       VAL   3  -1.539   6.488  -8.175
   19    HB   VAL   3           HB       VAL   3  -4.048   8.176  -7.941
   20   HG11  VAL   3          HG11      VAL   3  -2.916   8.803 -10.012
   21   HG12  VAL   3          HG12      VAL   3  -2.668   7.093 -10.428
   22   HG13  VAL   3          HG13      VAL   3  -4.305   7.782 -10.387
   23   HG21  VAL   3          HG21      VAL   3  -3.666   5.321  -8.903
   24   HG22  VAL   3          HG22      VAL   3  -4.314   5.744  -7.325
   25   HG23  VAL   3          HG23      VAL   3  -5.208   6.204  -8.774
   26    H    GLU   4           H        GLU   4  -1.983   9.410  -6.195
   27    HA   GLU   4           HA       GLU   4  -0.419  11.119  -8.007
   28    HB2  GLU   4           HB2      GLU   4  -1.380  11.456  -5.139
   29    HB3  GLU   4           HB3      GLU   4  -0.388  12.649  -5.977
   30    HG2  GLU   4           HG2      GLU   4  -3.089  11.693  -7.008
   31    HG3  GLU   4           HG3      GLU   4  -2.874  13.108  -5.981
   32    H    GLN   5           H        GLN   5   0.186   9.366  -4.911
   33    HA   GLN   5           HA       GLN   5   2.864  10.220  -4.548
   34    HB2  GLN   5           HB2      GLN   5   1.473   9.109  -2.821
   35    HB3  GLN   5           HB3      GLN   5   1.493   7.609  -3.750
   36    HG2  GLN   5           HG2      GLN   5   3.078   7.478  -1.901
   37    HG3  GLN   5           HG3      GLN   5   3.924   7.388  -3.431
   38   HE21  GLN   5          HE21      GLN   5   5.910   8.467  -3.234
   39   HE22  GLN   5          HE22      GLN   5   6.098   9.978  -2.343
   40    H    CYS   6           H        CYS   6   1.637   7.299  -6.290
   41    HA   CYS   6           HA       CYS   6   4.256   6.348  -7.010
   42    HB2  CYS   6           HB2      CYS   6   1.446   5.864  -8.071
   43    HB3  CYS   6           HB3      CYS   6   2.857   5.029  -8.687
   44    H    CYS   7           H        CYS   7   2.256   8.774  -8.509
   45    HA   CYS   7           HA       CYS   7   3.750   8.458 -11.080
   46    HB2  CYS   7           HB2      CYS   7   1.257   8.230 -10.969
   47    HB3  CYS   7           HB3      CYS   7   1.157   9.937 -10.545
   48    H    THR   8           H        THR   8   2.973  10.981  -8.667
   49    HA   THR   8           HA       THR   8   4.555  13.027 -10.125
   50    HB   THR   8           HB       THR   8   3.978  14.543  -8.355
   51    HG1  THR   8           HG1      THR   8   2.658  12.352  -7.110
   52   HG21  THR   8          HG21      THR   8   1.499  12.941  -9.118
   53   HG22  THR   8          HG22      THR   8   2.295  14.168 -10.127
   54   HG23  THR   8          HG23      THR   8   1.566  14.631  -8.577
   55    H    SER   9           H        SER   9   4.909  10.873  -7.403
   56    HA   SER   9           HA       SER   9   7.847  11.461  -7.222
   57    HG   SER   9           HG       SER   9   5.873  12.942  -5.516
   58    HB2  SER   9           HB2      SER   9   5.938  10.695  -4.967
   59    HB3  SER   9           HB3      SER   9   7.695  10.854  -4.832
   60    H    ILE  10           H        ILE  10   8.409   9.242  -5.596
   61    HA   ILE  10           HA       ILE  10   7.678   6.935  -7.349
   62    HB   ILE  10           HB       ILE  10   9.518   5.746  -6.311
   63   HG12  ILE  10          HG12      ILE  10  10.343   8.366  -4.991
   64   HG13  ILE  10          HG13      ILE  10   9.634   6.995  -4.144
   65   HG21  ILE  10          HG21      ILE  10  11.297   6.773  -7.584
   66   HG22  ILE  10          HG22      ILE  10   9.776   6.945  -8.453
   67   HG23  ILE  10          HG23      ILE  10  10.458   8.337  -7.576
   68   HD11  ILE  10          HD11      ILE  10  12.006   6.935  -3.807
   69   HD12  ILE  10          HD12      ILE  10  11.563   5.573  -4.850
   70   HD13  ILE  10          HD13      ILE  10  12.332   7.024  -5.544
   71    H    CYS  11           H        CYS  11   7.100   4.952  -6.377
   72    HA   CYS  11           HA       CYS  11   6.346   5.007  -3.504
   73    HB2  CYS  11           HB2      CYS  11   4.168   4.076  -3.914
   74    HB3  CYS  11           HB3      CYS  11   4.315   5.564  -4.832
   75    H    SER  12           H        SER  12   5.886   2.793  -2.680
   76    HA   SER  12           HA       SER  12   7.844   0.861  -3.855
   77    HG   SER  12           HG       SER  12   8.849   1.786  -0.522
   78    HB2  SER  12           HB2      SER  12   6.742   1.016  -1.034
   79    HB3  SER  12           HB3      SER  12   7.995  -0.085  -1.622
   80    H    LEU  13           H        LEU  13   7.294  -1.352  -4.099
   81    HA   LEU  13           HA       LEU  13   4.593  -2.033  -4.726
   82    HG   LEU  13           HG       LEU  13   7.663  -2.607  -5.862
   83    HB2  LEU  13           HB2      LEU  13   6.903  -3.848  -3.910
   84    HB3  LEU  13           HB3      LEU  13   5.432  -4.343  -4.724
   85   HD11  LEU  13          HD11      LEU  13   8.087  -5.044  -5.755
   86   HD12  LEU  13          HD12      LEU  13   7.964  -4.464  -7.426
   87   HD13  LEU  13          HD13      LEU  13   6.606  -5.343  -6.688
   88   HD21  LEU  13          HD21      LEU  13   5.033  -3.367  -7.200
   89   HD22  LEU  13          HD22      LEU  13   6.425  -2.615  -8.009
   90   HD23  LEU  13          HD23      LEU  13   5.559  -1.724  -6.758
   91    H    TYR  14           H        TYR  14   6.404  -2.293  -1.701
   92    HA   TYR  14           HA       TYR  14   4.454  -3.677  -0.170
   93    HD1  TYR  14           HD1      TYR  14   5.541  -4.942   1.932
   94    HD2  TYR  14           HD2      TYR  14   5.646  -0.717   2.774
   95    HE1  TYR  14           HE1      TYR  14   4.895  -5.399   4.287
   96    HE2  TYR  14           HE2      TYR  14   4.996  -1.165   5.130
   97    HH   TYR  14           HH       TYR  14   4.456  -2.775   6.700
   98    HB2  TYR  14           HB2      TYR  14   6.804  -3.237   0.479
   99    HB3  TYR  14           HB3      TYR  14   6.446  -1.528   0.670
  100    H    GLN  15           H        GLN  15   4.441  -0.364  -1.300
  101    HA   GLN  15           HA       GLN  15   2.299   0.479   0.581
  102    HB2  GLN  15           HB2      GLN  15   3.751   1.988  -1.647
  103    HB3  GLN  15           HB3      GLN  15   2.446   2.651  -0.677
  104    HG2  GLN  15           HG2      GLN  15   5.115   1.676   0.433
  105    HG3  GLN  15           HG3      GLN  15   4.675   3.355   0.132
  106   HE21  GLN  15          HE21      GLN  15   2.787   4.264   1.453
  107   HE22  GLN  15          HE22      GLN  15   2.520   3.554   3.038
  108    H    LEU  16           H        LEU  16   2.754  -0.412  -2.870
  109    HA   LEU  16           HA       LEU  16   0.004  -0.142  -3.657
  110    HG   LEU  16           HG       LEU  16   0.651   0.048  -6.030
  111    HB2  LEU  16           HB2      LEU  16   2.254  -2.024  -4.493
  112    HB3  LEU  16           HB3      LEU  16   0.628  -2.242  -5.078
  113   HD11  LEU  16          HD11      LEU  16   2.417   1.147  -4.692
  114   HD12  LEU  16          HD12      LEU  16   2.767   1.194  -6.424
  115   HD13  LEU  16          HD13      LEU  16   3.621   0.038  -5.392
  116   HD21  LEU  16          HD21      LEU  16   2.049  -0.549  -7.953
  117   HD22  LEU  16          HD22      LEU  16   1.229  -1.991  -7.355
  118   HD23  LEU  16          HD23      LEU  16   2.938  -1.741  -6.981
  119    H    GLU  17           H        GLU  17   1.705  -2.901  -2.128
  120    HA   GLU  17           HA       GLU  17  -0.552  -4.569  -1.793
  121    HB2  GLU  17           HB2      GLU  17   2.118  -4.830  -1.482
  122    HB3  GLU  17           HB3      GLU  17   1.720  -4.631   0.207
  123    HG2  GLU  17           HG2      GLU  17   0.459  -6.695  -1.671
  124    HG3  GLU  17           HG3      GLU  17   1.945  -6.986  -0.782
  125    H    ASN  18           H        ASN  18   0.751  -2.080   0.431
  126    HA   ASN  18           HA       ASN  18  -1.067  -2.524   2.576
  127    HB2  ASN  18           HB2      ASN  18   1.035  -1.249   2.756
  128    HB3  ASN  18           HB3      ASN  18   0.382  -0.002   1.685
  129   HD21  ASN  18          HD21      ASN  18  -0.895   1.647   2.598
  130   HD22  ASN  18          HD22      ASN  18  -1.348   1.654   4.295
  131    H    TYR  19           H        TYR  19  -1.440  -0.551  -0.406
  132    HA   TYR  19           HA       TYR  19  -3.909   0.702   0.470
  133    HD1  TYR  19           HD1      TYR  19  -1.108   2.372  -0.198
  134    HD2  TYR  19           HD2      TYR  19  -5.057   2.947  -1.823
  135    HE1  TYR  19           HE1      TYR  19  -1.026   4.759   0.479
  136    HE2  TYR  19           HE2      TYR  19  -4.998   5.341  -1.125
  137    HH   TYR  19           HH       TYR  19  -2.133   6.759   0.528
  138    HB2  TYR  19           HB2      TYR  19  -2.159   0.762  -1.926
  139    HB3  TYR  19           HB3      TYR  19  -3.868   0.937  -2.278
  140    H    CYS  20           H        CYS  20  -3.292  -2.441  -0.990
  141    HA   CYS  20           HA       CYS  20  -5.885  -2.770  -2.172
  142    HB2  CYS  20           HB2      CYS  20  -3.765  -4.700  -1.240
  143    HB3  CYS  20           HB3      CYS  20  -5.267  -5.245  -1.989
  144    H    ASN  21           H        ASN  21  -7.502  -4.401  -1.573
  145    HA   ASN  21           HA       ASN  21  -8.741  -3.328   0.774
  146    HB2  ASN  21           HB2      ASN  21  -9.749  -3.831  -1.535
  147    HB3  ASN  21           HB3      ASN  21  -9.778  -5.528  -1.055
  148   HD21  ASN  21          HD21      ASN  21 -10.553  -4.682   1.825
  149   HD22  ASN  21          HD22      ASN  21 -12.267  -4.274   1.643
  150    HA   PHE   1           HA       PHE   1  11.522  -4.094  -1.172
  151    HD1  PHE   1           HD1      PHE   1   9.461  -5.107   0.042
  152    HD2  PHE   1           HD2      PHE   1   9.812  -1.160   1.763
  153    HE1  PHE   1           HE1      PHE   1   8.721  -5.991   2.237
  154    HE2  PHE   1           HE2      PHE   1   9.056  -2.054   3.951
  155    HZ   PHE   1           HZ       PHE   1   8.516  -4.463   4.195
  156    H1   PHE   1           H1       PHE   1  13.489  -3.084  -0.283
  157    H2   PHE   1           H2       PHE   1  12.341  -3.131   0.880
  158    H3   PHE   1           H3       PHE   1  12.683  -1.716   0.121
  159    HB2  PHE   1           HB2      PHE   1  10.162  -1.437  -0.559
  160    HB3  PHE   1           HB3      PHE   1   9.431  -2.828  -1.345
  161    H    VAL   2           H        VAL   2  10.627  -3.572  -3.386
  162    HA   VAL   2           HA       VAL   2  12.461  -1.878  -4.965
  163    HB   VAL   2           HB       VAL   2  10.067  -3.574  -5.760
  164   HG11  VAL   2          HG11      VAL   2  10.859  -3.247  -8.116
  165   HG12  VAL   2          HG12      VAL   2  10.245  -1.769  -7.394
  166   HG13  VAL   2          HG13      VAL   2  12.002  -2.016  -7.536
  167   HG21  VAL   2          HG21      VAL   2  13.053  -4.010  -6.193
  168   HG22  VAL   2          HG22      VAL   2  12.031  -4.912  -5.058
  169   HG23  VAL   2          HG23      VAL   2  11.749  -5.054  -6.796
  170    H    ASN   3           H        ASN   3  11.998   0.096  -5.724
  171    HA   ASN   3           HA       ASN   3   9.262   1.194  -5.459
  172    HB2  ASN   3           HB2      ASN   3  10.278   3.368  -4.654
  173    HB3  ASN   3           HB3      ASN   3  10.255   2.038  -3.508
  174   HD21  ASN   3          HD21      ASN   3  12.694   2.824  -6.135
  175   HD22  ASN   3          HD22      ASN   3  14.013   2.921  -4.984
  176    H    GLN   4           H        GLN   4   8.604   2.678  -6.938
  177    HA   GLN   4           HA       GLN   4  10.299   3.155  -9.350
  178    HB2  GLN   4           HB2      GLN   4   7.740   1.487  -9.185
  179    HB3  GLN   4           HB3      GLN   4   8.436   2.041 -10.696
  180    HG2  GLN   4           HG2      GLN   4   9.855   0.131  -8.774
  181    HG3  GLN   4           HG3      GLN   4   8.872  -0.360 -10.138
  182   HE21  GLN   4          HE21      GLN   4  11.969   1.231  -9.253
  183   HE22  GLN   4          HE22      GLN   4  12.654   1.067 -10.867
  184    H    HIS   5           H        HIS   5   9.148   4.440 -10.989
  185    HA   HIS   5           HA       HIS   5   6.902   6.126  -9.997
  186    HD1  HIS   5           HD1      HIS   5   7.532   8.748  -9.799
  187    HD2  HIS   5           HD2      HIS   5  10.680   7.457 -12.277
  188    HE1  HIS   5           HE1      HIS   5   9.444  10.376  -9.429
  189    HB2  HIS   5           HB2      HIS   5   8.473   6.166 -12.606
  190    HB3  HIS   5           HB3      HIS   5   7.072   7.163 -12.267
  191    H    LEU   6           H        LEU   6   4.872   5.588 -10.567
  192    HA   LEU   6           HA       LEU   6   4.264   3.692 -12.769
  193    HG   LEU   6           HG       LEU   6   5.695   2.243 -10.435
  194    HB2  LEU   6           HB2      LEU   6   3.525   3.349  -9.833
  195    HB3  LEU   6           HB3      LEU   6   2.742   2.468 -11.144
  196   HD11  LEU   6          HD11      LEU   6   5.068   0.071  -9.451
  197   HD12  LEU   6          HD12      LEU   6   3.360   0.400  -9.801
  198   HD13  LEU   6          HD13      LEU   6   4.239   1.407  -8.627
  199   HD21  LEU   6          HD21      LEU   6   5.622   0.220 -11.868
  200   HD22  LEU   6          HD22      LEU   6   5.215   1.656 -12.813
  201   HD23  LEU   6          HD23      LEU   6   3.923   0.559 -12.276
  202    H    CYS   7           H        CYS   7   2.470   4.337 -13.855
  203    HA   CYS   7           HA       CYS   7   0.555   6.272 -12.628
  204    HB2  CYS   7           HB2      CYS   7   1.932   6.518 -15.327
  205    HB3  CYS   7           HB3      CYS   7   0.660   7.578 -14.747
  206    H    GLY   8           H        GLY   8  -1.512   6.123 -13.450
  207    HA2  GLY   8           HA2      GLY   8  -3.379   5.312 -14.584
  208    HA3  GLY   8           HA3      GLY   8  -2.282   5.300 -15.961
  209    H    SER   9           H        SER   9  -2.711   3.497 -17.039
  210    HA   SER   9           HA       SER   9  -3.721   1.061 -16.017
  211    HG   SER   9           HG       SER   9  -4.215   1.820 -19.500
  212    HB2  SER   9           HB2      SER   9  -2.104   1.499 -18.562
  213    HB3  SER   9           HB3      SER   9  -3.219   0.170 -18.228
  214    H    HIS  10           H        HIS  10  -0.346   2.135 -16.368
  215    HA   HIS  10           HA       HIS  10   0.838  -0.492 -15.976
  216    HD1  HIS  10           HD1      HIS  10   2.811  -0.404 -18.213
  217    HD2  HIS  10           HD2      HIS  10   1.452   3.553 -17.780
  218    HE1  HIS  10           HE1      HIS  10   2.708   0.579 -20.560
  219    HB2  HIS  10           HB2      HIS  10   1.991   2.300 -15.550
  220    HB3  HIS  10           HB3      HIS  10   2.912   0.804 -15.660
  221    H    LEU  11           H        LEU  11  -0.030   2.217 -13.785
  222    HA   LEU  11           HA       LEU  11   0.887   0.885 -11.383
  223    HG   LEU  11           HG       LEU  11  -1.523   2.113  -9.588
  224    HB2  LEU  11           HB2      LEU  11   0.542   3.313 -11.475
  225    HB3  LEU  11           HB3      LEU  11  -1.168   3.095 -11.807
  226   HD11  LEU  11          HD11      LEU  11   0.224   2.158  -7.848
  227   HD12  LEU  11          HD12      LEU  11   1.428   2.632  -9.063
  228   HD13  LEU  11          HD13      LEU  11   0.649   1.037  -9.146
  229   HD21  LEU  11          HD21      LEU  11   0.017   4.735  -9.474
  230   HD22  LEU  11          HD22      LEU  11  -1.162   4.149  -8.280
  231   HD23  LEU  11          HD23      LEU  11  -1.689   4.554  -9.922
  232    H    VAL  12           H        VAL  12  -2.318   1.061 -13.010
  233    HA   VAL  12           HA       VAL  12  -3.696  -0.612 -11.166
  234    HB   VAL  12           HB       VAL  12  -4.141  -0.281 -14.159
  235   HG11  VAL  12          HG11      VAL  12  -5.176  -2.419 -13.583
  236   HG12  VAL  12          HG12      VAL  12  -5.924  -1.712 -12.137
  237   HG13  VAL  12          HG13      VAL  12  -6.436  -1.204 -13.768
  238   HG21  VAL  12          HG21      VAL  12  -6.036   1.124 -13.460
  239   HG22  VAL  12          HG22      VAL  12  -5.655   0.835 -11.754
  240   HG23  VAL  12          HG23      VAL  12  -4.538   1.747 -12.780
  241    H    GLU  13           H        GLU  13  -1.814  -1.610 -14.050
  242    HA   GLU  13           HA       GLU  13  -2.236  -4.419 -13.765
  243    HB2  GLU  13           HB2      GLU  13  -1.314  -3.179 -15.777
  244    HB3  GLU  13           HB3      GLU  13   0.207  -2.995 -14.912
  245    HG2  GLU  13           HG2      GLU  13   0.472  -4.832 -16.374
  246    HG3  GLU  13           HG3      GLU  13   0.334  -5.535 -14.769
  247    H    ALA  14           H        ALA  14   0.436  -2.322 -12.514
  248    HA   ALA  14           HA       ALA  14   1.914  -4.414 -11.246
  249    HB1  ALA  14           HB1      ALA  14   2.828  -2.163 -11.750
  250    HB2  ALA  14           HB2      ALA  14   1.711  -1.436 -10.579
  251    HB3  ALA  14           HB3      ALA  14   2.992  -2.537 -10.025
  252    H    LEU  15           H        LEU  15  -0.579  -2.213  -9.923
  253    HA   LEU  15           HA       LEU  15  -0.618  -3.154  -7.252
  254    HG   LEU  15           HG       LEU  15  -3.689  -2.690  -6.834
  255    HB2  LEU  15           HB2      LEU  15  -1.545  -1.025  -8.163
  256    HB3  LEU  15           HB3      LEU  15  -2.793  -1.934  -9.013
  257   HD11  LEU  15          HD11      LEU  15  -1.630  -0.761  -5.674
  258   HD12  LEU  15          HD12      LEU  15  -1.732  -2.517  -5.379
  259   HD13  LEU  15          HD13      LEU  15  -2.999  -1.443  -4.770
  260   HD21  LEU  15          HD21      LEU  15  -3.420   0.337  -7.168
  261   HD22  LEU  15          HD22      LEU  15  -4.711  -0.501  -6.276
  262   HD23  LEU  15          HD23      LEU  15  -4.580  -0.699  -8.030
  263    H    TYR  16           H        TYR  16  -2.644  -4.188 -10.030
  264    HA   TYR  16           HA       TYR  16  -4.070  -6.252  -8.698
  265    HD1  TYR  16           HD2      TYR  16  -6.267  -7.284  -9.868
  266    HD2  TYR  16           HD1      TYR  16  -3.040  -7.982 -12.646
  267    HE1  TYR  16           HE2      TYR  16  -7.261  -9.495 -10.472
  268    HE2  TYR  16           HE1      TYR  16  -4.021 -10.178 -13.245
  269    HH   TYR  16           HH       TYR  16  -5.753 -11.664 -12.898
  270    HB2  TYR  16           HB2      TYR  16  -4.755  -5.386 -10.841
  271    HB3  TYR  16           HB3      TYR  16  -3.240  -5.873 -11.593
  272    H    LEU  17           H        LEU  17  -0.901  -6.410 -10.359
  273    HA   LEU  17           HA       LEU  17  -0.606  -9.281  -9.913
  274    HG   LEU  17           HG       LEU  17  -0.456  -7.748 -12.494
  275    HB2  LEU  17           HB2      LEU  17   1.337  -7.119 -10.813
  276    HB3  LEU  17           HB3      LEU  17   1.763  -8.823 -10.701
  277   HD11  LEU  17          HD11      LEU  17   1.128  -8.146 -14.332
  278   HD12  LEU  17          HD12      LEU  17   2.386  -8.628 -13.168
  279   HD13  LEU  17          HD13      LEU  17   1.777  -6.957 -13.184
  280   HD21  LEU  17          HD21      LEU  17  -0.307  -9.984 -13.582
  281   HD22  LEU  17          HD22      LEU  17  -0.879 -10.085 -11.913
  282   HD23  LEU  17          HD23      LEU  17   0.799 -10.518 -12.302
  283    H    VAL  18           H        VAL  18   0.504  -6.434  -8.178
  284    HA   VAL  18           HA       VAL  18   2.182  -7.802  -6.273
  285    HB   VAL  18           HB       VAL  18   0.708  -5.155  -6.221
  286   HG11  VAL  18          HG11      VAL  18   2.447  -6.241  -3.966
  287   HG12  VAL  18          HG12      VAL  18   1.946  -4.549  -4.158
  288   HG13  VAL  18          HG13      VAL  18   0.735  -5.786  -3.872
  289   HG21  VAL  18          HG21      VAL  18   2.836  -5.448  -7.615
  290   HG22  VAL  18          HG22      VAL  18   2.962  -4.215  -6.351
  291   HG23  VAL  18          HG23      VAL  18   3.696  -5.816  -6.120
  292    H    CYS  19           H        CYS  19  -1.302  -6.919  -6.200
  293    HA   CYS  19           HA       CYS  19  -1.568  -8.149  -3.541
  294    HB2  CYS  19           HB2      CYS  19  -3.565  -6.720  -5.320
  295    HB3  CYS  19           HB3      CYS  19  -3.890  -7.267  -3.673
  296    H    GLY  20           H        GLY  20  -2.380  -9.145  -6.831
  297    HA2  GLY  20           HA2      GLY  20  -4.567 -10.756  -6.463
  298    HA3  GLY  20           HA3      GLY  20  -3.328 -11.102  -7.666
  299    H    GLU  21           H        GLU  21  -3.714 -13.860  -4.873
  300    HA   GLU  21           HA       GLU  21  -5.638 -12.874  -6.748
  301    HB2  GLU  21           HB2      GLU  21  -5.301 -15.205  -5.716
  302    HB3  GLU  21           HB3      GLU  21  -6.113 -14.587  -4.285
  303    HG2  GLU  21           HG2      GLU  21  -7.656 -15.849  -5.652
  304    HG3  GLU  21           HG3      GLU  21  -8.164 -14.173  -5.646
  305    H    ARG  22           H        ARG  22  -4.771 -11.487  -3.695
  306    HA   ARG  22           HA       ARG  22  -7.382 -10.695  -2.787
  307    HE   ARG  22           HE       ARG  22  -3.591  -8.823   0.243
  308    HB2  ARG  22           HB2      ARG  22  -5.295 -10.842  -1.395
  309    HB3  ARG  22           HB3      ARG  22  -4.729  -9.349  -2.154
  310    HG2  ARG  22           HG2      ARG  22  -6.560  -8.076  -1.211
  311    HG3  ARG  22           HG3      ARG  22  -7.377  -9.557  -0.691
  312    HD2  ARG  22           HD2      ARG  22  -6.363  -8.567   1.254
  313    HD3  ARG  22           HD3      ARG  22  -5.507 -10.044   0.866
  314   HH11  ARG  22          HH11      ARG  22  -6.178  -6.522   1.066
  315   HH12  ARG  22          HH12      ARG  22  -5.032  -5.230   1.330
  316   HH21  ARG  22          HH21      ARG  22  -2.220  -7.119   0.564
  317   HH22  ARG  22          HH22      ARG  22  -2.836  -5.525   0.886
  318    H    GLY  23           H        GLY  23  -8.477  -8.806  -3.009
  319    HA2  GLY  23           HA2      GLY  23  -8.269  -7.512  -5.623
  320    HA3  GLY  23           HA3      GLY  23  -9.572  -7.303  -4.431
  321    H    PHE  24           H        PHE  24  -8.233  -5.279  -6.032
  322    HA   PHE  24           HA       PHE  24  -6.646  -3.780  -4.020
  323    HD1  PHE  24           HD2      PHE  24  -7.092  -1.201  -7.245
  324    HD2  PHE  24           HD1      PHE  24  -6.595  -5.416  -8.028
  325    HE1  PHE  24           HE2      PHE  24  -7.946  -0.877  -9.551
  326    HE2  PHE  24           HE1      PHE  24  -7.459  -5.077 -10.335
  327    HZ   PHE  24           HZ       PHE  24  -8.121  -2.816 -11.101
  328    HB2  PHE  24           HB2      PHE  24  -5.643  -2.638  -5.823
  329    HB3  PHE  24           HB3      PHE  24  -5.516  -4.357  -6.102
  330    H    PHE  25           H        PHE  25  -6.652  -1.445  -4.158
  331    HA   PHE  25           HA       PHE  25  -9.170  -0.125  -4.928
  332    HD1  PHE  25           HD2      PHE  25 -10.952   1.406  -3.861
  333    HD2  PHE  25           HD1      PHE  25  -7.583   2.021  -1.239
  334    HE1  PHE  25           HE2      PHE  25 -11.665   3.758  -3.484
  335    HE2  PHE  25           HE1      PHE  25  -8.310   4.356  -0.845
  336    HZ   PHE  25           HZ       PHE  25 -10.338   5.236  -1.978
  337    HB2  PHE  25           HB2      PHE  25  -9.569  -0.553  -2.599
  338    HB3  PHE  25           HB3      PHE  25  -7.932  -0.099  -2.160
  339    H    TYR  26           H        TYR  26  -8.840   1.856  -5.746
  340    HA   TYR  26           HA       TYR  26  -6.029   2.809  -6.138
  341    HD1  TYR  26           HD2      TYR  26  -8.067   4.274  -9.441
  342    HD2  TYR  26           HD1      TYR  26  -4.614   1.788  -8.752
  343    HE1  TYR  26           HE2      TYR  26  -6.891   5.388 -11.339
  344    HE2  TYR  26           HE1      TYR  26  -3.451   2.877 -10.662
  345    HH   TYR  26           HH       TYR  26  -3.569   4.435 -12.338
  346    HB2  TYR  26           HB2      TYR  26  -6.788   1.204  -7.855
  347    HB3  TYR  26           HB3      TYR  26  -8.215   2.164  -8.167
  348    H    THR  27           H        THR  27  -5.829   4.979  -5.872
  349    HA   THR  27           HA       THR  27  -7.976   6.865  -6.444
  350    HB   THR  27           HB       THR  27  -8.797   5.978  -4.351
  351    HG1  THR  27           HG1      THR  27  -8.903   7.961  -3.282
  352   HG21  THR  27          HG21      THR  27  -6.700   5.196  -3.289
  353   HG22  THR  27          HG22      THR  27  -7.601   6.298  -2.232
  354   HG23  THR  27          HG23      THR  27  -6.167   6.886  -3.091
  355    HA   PRO  28           HA       PRO  28  -4.369   9.631  -6.360
  356    HB2  PRO  28           HB2      PRO  28  -5.559  12.001  -6.903
  357    HB3  PRO  28           HB3      PRO  28  -5.441  10.713  -8.137
  358    HG2  PRO  28           HG2      PRO  28  -7.797  11.328  -6.320
  359    HG3  PRO  28           HG3      PRO  28  -7.803  11.121  -8.099
  360    HD2  PRO  28           HD2      PRO  28  -8.429   9.084  -6.398
  361    HD3  PRO  28           HD3      PRO  28  -7.556   8.796  -7.934
  362    H    LYS  29           H        LYS  29  -7.058   9.655  -4.165
  363    HA   LYS  29           HA       LYS  29  -5.904  11.909  -2.594
  364    HB2  LYS  29           HB2      LYS  29  -8.156  12.005  -3.782
  365    HB3  LYS  29           HB3      LYS  29  -8.727  10.806  -2.623
  366    HG2  LYS  29           HG2      LYS  29  -7.910  12.509  -0.784
  367    HG3  LYS  29           HG3      LYS  29  -7.742  13.654  -2.114
  368    HD2  LYS  29           HD2      LYS  29  -9.869  14.078  -1.129
  369    HD3  LYS  29           HD3      LYS  29 -10.189  13.253  -2.654
  370    HE2  LYS  29           HE2      LYS  29 -11.659  12.304  -1.025
  371    HE3  LYS  29           HE3      LYS  29 -10.431  11.082  -1.370
  372    HZ1  LYS  29           HZ1      LYS  29 -10.418  12.889   0.989
  373    HZ2  LYS  29           HZ2      LYS  29  -9.309  11.713   0.715
  374    HZ3  LYS  29           HZ3      LYS  29 -10.864  11.324   1.017
  375    H    THR  30           H        THR  30  -5.517  11.755  -0.450
  376    HA   THR  30           HA       THR  30  -5.285   9.189   0.905
  377    HB   THR  30           HB       THR  30  -5.120  11.988   2.077
  378    HG1  THR  30           HG1      THR  30  -2.941  11.842   1.554
  379   HG21  THR  30          HG21      THR  30  -3.864   9.326   2.892
  380   HG22  THR  30          HG22      THR  30  -5.130  10.202   3.782
  381   HG23  THR  30          HG23      THR  30  -3.505  10.891   3.644