*HEADER    SIGNALING PROTEIN                       28-FEB-17   5NAO              
*TITLE     NMR STRUCTURE OF TLR4 TRANSMEMBRANE DOMAIN (624-657) IN DPC MICELLES  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOLL-LIKE RECEPTOR 4;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 623-657;                                      
*COMPND   5 SYNONYM: HTOLL;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: TLR4;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    TOLL-LIKE RECEPTOR, PROTEIN RECEPTOR, TRANSMEMBRANE DOMAIN, PROTEIN,  
*KEYWDS   2 SIGNALING PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.S.MINEEV,S.A.GONCHARUK,M.V.GONCHARUK,A.S.ARSENIEV                   
*REVDAT   1   21-MAR-18 5NAO    0                                                
# Restraints file 1: tlr4tm.upl
 29 VAL  QG2    30 TYR  H       3.51            #peak 1
 28 LEU  HB3    29 VAL  H       3.57            #peak 2
 20 LEU  H      20 LEU  QD1     3.62            #peak 3
 25 VAL  QG1    26 ALA  H       3.13            #peak 5
 22 VAL  QG1    23 SER  H       3.19            #peak 7
 12 ILE  H      12 ILE  HG12    3.12            #peak 11
  1 MET  H       1 MET  QB      3.92            #peak 12
  1 MET  QB      2 ASN  H       3.87            #peak 13
  7 MET  HB3     8 ASN  H       3.15            #peak 16
 31 LYS  HB3    32 PHE  H       3.49            #peak 17
 31 LYS  HG3    32 PHE  H       3.66            #peak 18
 28 LEU  H      28 LEU  QD1     3.39            #peak 20
  2 ASN  H       2 ASN  HB2     4.15            #peak 22
  2 ASN  H       2 ASN  HB3     3.87            #peak 23
  1 MET  H       1 MET  QG      3.95            #peak 24
  8 ASN  H       8 ASN  HB2     3.42            #peak 26
 10 THR  H      10 THR  QG2     3.57            #peak 27
 17 LEU  QB     18 SER  H       3.07            #peak 29
 15 SER  H      15 SER  HB2     3.47            #peak 30
 31 LYS  H      31 LYS  QD      3.55            #peak 31
 28 LEU  H      28 LEU  HB2     2.87            #peak 32
 28 LEU  H      28 LEU  HG      2.85            #peak 33
 25 VAL  HA     28 LEU  H       3.39            #peak 34
 31 LYS  HB2    32 PHE  H       3.32            #peak 36
 20 LEU  H      20 LEU  QD2     2.89            #peak 42
 20 LEU  H      20 LEU  HB3     3.12            #peak 43
 20 LEU  H      20 LEU  HG      3.17            #peak 44
 31 LYS  H      31 LYS  HB2     2.95            #peak 45
 32 PHE  H      32 PHE  QD      3.78            #peak 47
 32 PHE  H      32 PHE  QE      4.89            #peak 48
 30 TYR  H      30 TYR  QD      3.72            #peak 50
 17 LEU  H      17 LEU  QB      2.67            #peak 52
 18 SER  H      18 SER  HB3     3.34            #peak 53
 11 ILE  H      11 ILE  QD1     3.31            #peak 59
  8 ASN  H       8 ASN  HB3     3.54            #peak 61
  7 MET  HA      8 ASN  H       3.08            #peak 62
 20 LEU  H      20 LEU  HA      2.75            #peak 64
 19 VAL  H      20 LEU  H       3.02            #peak 65
 19 VAL  HB     20 LEU  H       2.97            #peak 68
 19 VAL  HA     20 LEU  H       3.39            #peak 69
 34 PHE  H      35 HIS  H       3.00            #peak 70
 35 HIS  H      35 HIS  HB3     3.05            #peak 71
 35 HIS  H      35 HIS  HB2     3.09            #peak 73
 34 PHE  HA     35 HIS  H       2.93            #peak 74
 34 PHE  H      34 PHE  HB2     3.51            #peak 76
 30 TYR  HA     34 PHE  H       3.82            #peak 77
 33 TYR  H      34 PHE  H       2.98            #peak 78
 26 ALA  H      27 VAL  H       3.20            #peak 81
 25 VAL  H      26 ALA  H       2.95            #peak 82
 26 ALA  H      26 ALA  HA      2.86            #peak 84
 25 VAL  HB     26 ALA  H       2.93            #peak 85
 26 ALA  H      26 ALA  QB      2.57            #peak 86
 19 VAL  H      19 VAL  QG2     2.82            #peak 88
 18 SER  H      19 VAL  H       3.12            #peak 89
 19 VAL  H      19 VAL  HB      2.77            #peak 90
 19 VAL  H      19 VAL  HA      2.89            #peak 92
 24 VAL  H      24 VAL  HB      2.86            #peak 94
 24 VAL  H      25 VAL  H       3.03            #peak 95
 24 VAL  H      24 VAL  QG2     2.90            #peak 96
 10 THR  HB     11 ILE  H       3.15            #peak 99
 11 ILE  H      11 ILE  HG13    3.46            #peak 100
 11 ILE  H      11 ILE  HB      3.01            #peak 103
 11 ILE  H      11 ILE  HG12    3.24            #peak 104
 18 SER  H      18 SER  HB2     3.33            #peak 106
 27 VAL  H      27 VAL  QG2     3.11            #peak 112
 24 VAL  HA     27 VAL  H       3.53            #peak 113
 27 VAL  H      27 VAL  HB      2.82            #peak 115
 26 ALA  QB     27 VAL  H       2.96            #peak 116
 25 VAL  H      25 VAL  HA      2.81            #peak 120
 25 VAL  H      25 VAL  QG2     2.67            #peak 121
 25 VAL  H      25 VAL  HB      2.57            #peak 122
 30 TYR  HB2    31 LYS  H       3.27            #peak 123
 31 LYS  H      31 LYS  HG3     3.15            #peak 126
 30 TYR  HB3    31 LYS  H       3.83            #peak 127
  3 ILE  HB      5 SER  H       3.88            #peak 130
  5 SER  H       5 SER  HB3     3.71            #peak 131
 16 VAL  QG2    17 LEU  H       3.55            #peak 136
 17 LEU  H      17 LEU  HG      2.98            #peak 137
 17 LEU  H      17 LEU  HA      2.89            #peak 138
 17 LEU  H      18 SER  H       2.93            #peak 139
 14 VAL  HA     17 LEU  H       3.31            #peak 140
 16 VAL  HB     17 LEU  H       3.00            #peak 141
 23 SER  H      23 SER  HB2     2.94            #peak 144
 22 VAL  HB     23 SER  H       3.19            #peak 145
 23 SER  H      23 SER  HB3     3.25            #peak 147
 23 SER  H      23 SER  HA      2.70            #peak 148
 20 LEU  H      21 VAL  H       2.74            #peak 150
 21 VAL  H      21 VAL  HB      2.79            #peak 151
 20 LEU  HB2    21 VAL  H       3.34            #peak 154
 21 VAL  H      21 VAL  QG2     2.73            #peak 156
  3 ILE  H       3 ILE  HB      2.91            #peak 158
  3 ILE  H       3 ILE  HG13    3.37            #peak 159
  3 ILE  H       4 THR  H       3.12            #peak 161
  3 ILE  H       3 ILE  HG12    3.89            #peak 162
  2 ASN  HA      3 ILE  H       2.77            #peak 163
 28 LEU  H      28 LEU  QD2     4.12            #peak 166
 27 VAL  H      28 LEU  H       2.99            #peak 167
 28 LEU  H      29 VAL  H       3.10            #peak 169
  4 THR  H       4 THR  QG2     3.30            #peak 170
  3 ILE  HB      4 THR  H       3.67            #peak 171
  4 THR  H       4 THR  HB      3.38            #peak 172
  3 ILE  QG2     4 THR  H       3.68            #peak 173
  2 ASN  HA      4 THR  H       3.79            #peak 175
  6 GLN  H       6 GLN  HB3     3.76            #peak 177
  5 SER  HB3     6 GLN  H       3.76            #peak 178
  6 GLN  H       6 GLN  QG      3.51            #peak 180
 33 TYR  H      33 TYR  QB      3.09            #peak 182
 14 VAL  HB     15 SER  H       3.83            #peak 185
 14 VAL  H      14 VAL  HB      2.79            #peak 188
 14 VAL  H      14 VAL  HA      2.66            #peak 189
 14 VAL  H      15 SER  H       3.31            #peak 191
 14 VAL  H      14 VAL  QG2     3.07            #peak 192
 10 THR  HA     13 GLY  H       3.73            #peak 193
 12 ILE  HB     13 GLY  H       3.23            #peak 194
 13 GLY  H      13 GLY  HA2     2.75            #peak 195
  7 MET  H       7 MET  HB2     3.60            #peak 197
 12 ILE  H      12 ILE  HG13    3.66            #peak 199
 12 ILE  H      12 ILE  HB      2.76            #peak 200
 12 ILE  H      13 GLY  H       3.16            #peak 201
 22 VAL  H      23 SER  H       2.94            #peak 205
 22 VAL  H      22 VAL  QG2     2.85            #peak 206
 21 VAL  H      22 VAL  H       3.43            #peak 207
 22 VAL  H      22 VAL  HB      2.73            #peak 208
 16 VAL  H      16 VAL  QG2     2.93            #peak 210
 15 SER  HB2    16 VAL  H       3.67            #peak 211
 16 VAL  H      16 VAL  HB      2.98            #peak 212
 16 VAL  H      17 LEU  H       3.09            #peak 214
 29 VAL  H      29 VAL  HB      3.14            #peak 217
 29 VAL  H      29 VAL  QG2     3.34            #peak 220
 10 THR  H      10 THR  HB      2.99            #peak 222
 31 LYS  H      32 PHE  H       3.11            #peak 224
 32 PHE  H      32 PHE  QB      2.83            #peak 225
 31 LYS  HA     32 PHE  H       3.50            #peak 226
 29 VAL  HB     30 TYR  H       3.32            #peak 228
 30 TYR  H      30 TYR  HB2     3.13            #peak 229
 29 VAL  HA     30 TYR  H       3.52            #peak 230
 30 TYR  H      30 TYR  HB3     3.14            #peak 232
 29 VAL  H      30 TYR  H       3.25            #peak 233
  4 THR  HA      4 THR  QG2     3.14            #peak 1
  3 ILE  HB      3 ILE  QD1     3.03            #peak 6
 16 VAL  HA     16 VAL  QG2     2.94            #peak 14
 12 ILE  QG2    16 VAL  QG2     2.51            #peak 16
 12 ILE  QG2    12 ILE  HG13    3.77            #peak 31
  9 LYS  HD2    12 ILE  HB      4.17            #peak 35
 17 LEU  QB     17 LEU  HG      2.74            #peak 38
 27 VAL  QG1    31 LYS  HG3     3.54            #peak 59
 28 LEU  HB2    28 LEU  QD2     3.34            #peak 63
 28 LEU  QD2    32 PHE  QD      3.87            #peak 64
 11 ILE  QG2    11 ILE  QD1     2.40            #peak 68
  3 ILE  QG2     4 THR  QG2     2.74            #peak 91
  3 ILE  HA      3 ILE  QG2     3.02            #peak 93
 20 LEU  QD1    24 VAL  QG2     2.96            #peak 95
 12 ILE  HB     12 ILE  QD1     3.37            #peak 111
 25 VAL  QG1    29 VAL  QG2     3.45            #peak 127
 29 VAL  QG1    34 PHE  QD      3.80            #peak 133
 28 LEU  HB2    28 LEU  QD1     3.53            #peak 140
 20 LEU  HB3    20 LEU  QD2     3.57            #peak 153
 31 LYS  HG3    31 LYS  QE      3.92            #peak 155
  6 GLN  HB2     6 GLN  QG      2.86            #peak 168
 12 ILE  QG2    12 ILE  QG1     3.43            #peak 171
 12 ILE  QG2    12 ILE  QD1     2.40            #peak 172
 31 LYS  HB3    31 LYS  QD      2.77            #peak 178
# Restraints file 2: tlr4tm.aco
   9 LYS   PHI     -80.0   -40.0
   9 LYS   PSI     -60.0   -20.0
  10 THR   PHI     -84.2   -44.2
  10 THR   PSI     -63.8   -23.8
  11 ILE   PHI     -85.9   -45.9
  11 ILE   PSI     -59.6   -19.6
  12 ILE   PHI     -85.8   -45.8
  12 ILE   PSI     -62.3   -22.3
  13 GLY   PHI     -82.2   -42.2
  13 GLY   PSI     -64.1   -24.1
  14 VAL   PHI     -85.7   -45.7
  14 VAL   PSI     -59.9   -19.9
  15 SER   PHI     -85.2   -45.2
  15 SER   PSI     -62.7   -22.7
  16 VAL   PHI     -83.6   -43.6
  16 VAL   PSI     -62.9   -22.9
  17 LEU   PHI     -84.2   -44.2
  17 LEU   PSI     -59.8   -19.8
  18 SER   PHI     -83.8   -43.8
  18 SER   PSI     -61.4   -21.4
  19 VAL   PHI     -85.0   -45.0
  19 VAL   PSI     -61.3   -21.3
  20 LEU   PHI     -84.5   -44.5
  20 LEU   PSI     -62.9   -22.9
  21 VAL   PHI     -83.4   -43.4
  21 VAL   PSI     -64.7   -24.7
  22 VAL   PHI     -81.7   -41.7
  22 VAL   PSI     -63.5   -23.5
  23 SER   PHI     -84.8   -44.8
  23 SER   PSI     -60.7   -20.7
  24 VAL   PHI     -84.7   -44.7
  24 VAL   PSI     -63.2   -23.2
  25 VAL   PHI     -84.0   -44.0
  25 VAL   PSI     -62.9   -22.9
  26 ALA   PHI     -81.8   -41.8
  26 ALA   PSI     -62.6   -22.6
  27 VAL   PHI     -84.2   -44.2
  27 VAL   PSI     -63.0   -23.0
  28 LEU   PHI     -84.9   -44.9
  28 LEU   PSI     -63.1   -23.1
  29 VAL   PHI     -84.3   -44.3
  29 VAL   PSI     -63.7   -23.7
  30 TYR   PHI     -82.4   -42.4
  30 TYR   PSI     -65.7   -25.7
  31 LYS   PHI     -85.6   -45.6
  31 LYS   PSI     -54.0   -14.0
  32 PHE   PHI     -91.0   -51.0
  32 PHE   PSI     -56.1   -16.1
  33 TYR   PHI    -123.6   -55.4
  33 TYR   PSI     -54.2     0.4
   8 ASN   PHI    -151.2    -0.6
   8 ASN   PSI      63.5   212.6
  14 VAL   CHI1   -210.0  -150.0
  16 VAL   CHI1   -210.0  -150.0
  19 VAL   CHI1   -210.0  -150.0
  21 VAL   CHI1   -210.0  -150.0
  22 VAL   CHI1   -210.0  -150.0
  24 VAL   CHI1   -210.0  -150.0
  25 VAL   CHI1   -210.0  -150.0
  27 VAL   CHI1   -210.0  -150.0
  29 VAL   CHI1   -210.0  -150.0
  11 ILE   CHI1    -90.0   -30.0
  12 ILE   CHI1    -90.0   -30.0
# Restraints file 3: hbond.upl
 11 ILE  O      15 SER  H       2.20  9.00E+00
 11 ILE  C      15 SER  H       3.30  9.00E+00
 11 ILE  O      15 SER  N       3.30  9.00E+00
 12 ILE  O      16 VAL  H       2.20  9.00E+00
 12 ILE  C      16 VAL  H       3.30  9.00E+00
 12 ILE  O      16 VAL  N       3.30  9.00E+00
 13 GLY  O      17 LEU  H       2.20  9.00E+00
 13 GLY  C      17 LEU  H       3.30  9.00E+00
 13 GLY  O      17 LEU  N       3.30  9.00E+00
 14 VAL  O      18 SER  H       2.20  9.00E+00
 14 VAL  C      18 SER  H       3.30  9.00E+00
 14 VAL  O      18 SER  N       3.30  9.00E+00
 15 SER  O      19 VAL  H       2.20  9.00E+00
 15 SER  C      19 VAL  H       3.30  9.00E+00
 15 SER  O      19 VAL  N       3.30  9.00E+00
 16 VAL  O      20 LEU  H       2.20  9.00E+00
 16 VAL  C      20 LEU  H       3.30  9.00E+00
 16 VAL  O      20 LEU  N       3.30  9.00E+00
 17 LEU  O      21 VAL  H       2.20  9.00E+00
 17 LEU  C      21 VAL  H       3.30  9.00E+00
 17 LEU  O      21 VAL  N       3.30  9.00E+00
 18 SER  O      22 VAL  H       2.20  9.00E+00
 18 SER  C      22 VAL  H       3.30  9.00E+00
 18 SER  O      22 VAL  N       3.30  9.00E+00
 19 VAL  O      23 SER  H       2.20  9.00E+00
 19 VAL  C      23 SER  H       3.30  9.00E+00
 19 VAL  O      23 SER  N       3.30  9.00E+00
 20 LEU  O      24 VAL  H       2.20  9.00E+00
 20 LEU  C      24 VAL  H       3.30  9.00E+00
 20 LEU  O      24 VAL  N       3.30  9.00E+00
 21 VAL  O      25 VAL  H       2.20  9.00E+00
 21 VAL  C      25 VAL  H       3.30  9.00E+00
 21 VAL  O      25 VAL  N       3.30  9.00E+00
 22 VAL  O      26 ALA  H       2.20  9.00E+00
 22 VAL  C      26 ALA  H       3.30  9.00E+00
 22 VAL  O      26 ALA  N       3.30  9.00E+00
 23 SER  O      27 VAL  H       2.20  9.00E+00
 23 SER  C      27 VAL  H       3.30  9.00E+00
 23 SER  O      27 VAL  N       3.30  9.00E+00
 24 VAL  O      28 LEU  H       2.20  9.00E+00
 24 VAL  C      28 LEU  H       3.30  9.00E+00
 24 VAL  O      28 LEU  N       3.30  9.00E+00
 25 VAL  O      29 VAL  H       2.20  9.00E+00
 25 VAL  C      29 VAL  H       3.30  9.00E+00
 25 VAL  O      29 VAL  N       3.30  9.00E+00
 26 ALA  O      30 TYR  H       2.20  9.00E+00
 26 ALA  C      30 TYR  H       3.30  9.00E+00
 26 ALA  O      30 TYR  N       3.30  9.00E+00
 27 VAL  O      31 LYS  H       2.20  9.00E+00
 27 VAL  C      31 LYS  H       3.30  9.00E+00
 27 VAL  O      31 LYS  N       3.30  9.00E+00
 28 LEU  O      32 PHE  H       2.20  9.00E+00
 28 LEU  C      32 PHE  H       3.30  9.00E+00
 28 LEU  O      32 PHE  N       3.30  9.00E+00
 29 VAL  O      33 TYR  H       2.20  9.00E+00
 29 VAL  C      33 TYR  H       3.30  9.00E+00
 29 VAL  O      33 TYR  N       3.30  9.00E+00
 30 TYR  O      34 PHE  H       2.20  9.00E+00
 30 TYR  C      34 PHE  H       3.30  9.00E+00
 30 TYR  O      34 PHE  N       3.30  9.00E+00
 31 LYS  O      35 HIS  H       2.20  9.00E+00
 31 LYS  C      35 HIS  H       3.30  9.00E+00
 31 LYS  O      35 HIS  N       3.30  9.00E+00
# Restraints file 4: hbond.lol
 11 ILE  O      15 SER  H       1.70  9.00E+00
 11 ILE  C      15 SER  H       2.60  9.00E+00
 11 ILE  O      15 SER  N       2.60  9.00E+00
 12 ILE  O      16 VAL  H       1.70  9.00E+00
 12 ILE  C      16 VAL  H       2.60  9.00E+00
 12 ILE  O      16 VAL  N       2.60  9.00E+00
 13 GLY  O      17 LEU  H       1.70  9.00E+00
 13 GLY  C      17 LEU  H       2.60  9.00E+00
 13 GLY  O      17 LEU  N       2.60  9.00E+00
 14 VAL  O      18 SER  H       1.70  9.00E+00
 14 VAL  C      18 SER  H       2.60  9.00E+00
 14 VAL  O      18 SER  N       2.60  9.00E+00
 15 SER  O      19 VAL  H       1.70  9.00E+00
 15 SER  C      19 VAL  H       2.60  9.00E+00
 15 SER  O      19 VAL  N       2.60  9.00E+00
 16 VAL  O      20 LEU  H       1.70  9.00E+00
 16 VAL  C      20 LEU  H       2.60  9.00E+00
 16 VAL  O      20 LEU  N       2.60  9.00E+00
 17 LEU  O      21 VAL  H       1.70  9.00E+00
 17 LEU  C      21 VAL  H       2.60  9.00E+00
 17 LEU  O      21 VAL  N       2.60  9.00E+00
 18 SER  O      22 VAL  H       1.70  9.00E+00
 18 SER  C      22 VAL  H       2.60  9.00E+00
 18 SER  O      22 VAL  N       2.60  9.00E+00
 19 VAL  O      23 SER  H       1.70  9.00E+00
 19 VAL  C      23 SER  H       2.60  9.00E+00
 19 VAL  O      23 SER  N       2.60  9.00E+00
 20 LEU  O      24 VAL  H       1.70  9.00E+00
 20 LEU  C      24 VAL  H       2.60  9.00E+00
 20 LEU  O      24 VAL  N       2.60  9.00E+00
 21 VAL  O      25 VAL  H       1.70  9.00E+00
 21 VAL  C      25 VAL  H       2.60  9.00E+00
 21 VAL  O      25 VAL  N       2.60  9.00E+00
 22 VAL  O      26 ALA  H       1.70  9.00E+00
 22 VAL  C      26 ALA  H       2.60  9.00E+00
 22 VAL  O      26 ALA  N       2.60  9.00E+00
 23 SER  O      27 VAL  H       1.70  9.00E+00
 23 SER  C      27 VAL  H       2.60  9.00E+00
 23 SER  O      27 VAL  N       2.60  9.00E+00
 24 VAL  O      28 LEU  H       1.70  9.00E+00
 24 VAL  C      28 LEU  H       2.60  9.00E+00
 24 VAL  O      28 LEU  N       2.60  9.00E+00
 25 VAL  O      29 VAL  H       1.70  9.00E+00
 25 VAL  C      29 VAL  H       2.60  9.00E+00
 25 VAL  O      29 VAL  N       2.60  9.00E+00
 26 ALA  O      30 TYR  H       1.70  9.00E+00
 26 ALA  C      30 TYR  H       2.60  9.00E+00
 26 ALA  O      30 TYR  N       2.60  9.00E+00
 27 VAL  O      31 LYS  H       1.70  9.00E+00
 27 VAL  C      31 LYS  H       2.60  9.00E+00
 27 VAL  O      31 LYS  N       2.60  9.00E+00
 28 LEU  O      32 PHE  H       1.70  9.00E+00
 28 LEU  C      32 PHE  H       2.60  9.00E+00
 28 LEU  O      32 PHE  N       2.60  9.00E+00
 29 VAL  O      33 TYR  H       1.70  9.00E+00
 29 VAL  C      33 TYR  H       2.60  9.00E+00
 29 VAL  O      33 TYR  N       2.60  9.00E+00
 30 TYR  O      34 PHE  H       1.70  9.00E+00
 30 TYR  C      34 PHE  H       2.60  9.00E+00
 30 TYR  O      34 PHE  N       2.60  9.00E+00
 31 LYS  O      35 HIS  H       1.70  9.00E+00
 31 LYS  C      35 HIS  H       2.60  9.00E+00
 31 LYS  O      35 HIS  N       2.60  9.00E+00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1   6.389   4.430  -5.469
    2    HA   MET   1           HA       MET   1   7.004   4.578  -2.636
    3    HB2  MET   1           HB2      MET   1   5.219   5.987  -3.470
    4    HB3  MET   1           HB3      MET   1   4.378   4.592  -4.132
    5    HG2  MET   1           HG2      MET   1   3.265   4.394  -2.238
    6    HG3  MET   1           HG3      MET   1   4.780   4.066  -1.400
    7    HE1  MET   1           HE1      MET   1   4.617   5.625   1.095
    8    HE2  MET   1           HE2      MET   1   3.043   6.416   1.020
    9    HE3  MET   1           HE3      MET   1   3.224   4.756   0.451
   10    H    ASN   2           H        ASN   2   7.253   2.833  -1.421
   11    HA   ASN   2           HA       ASN   2   6.862   0.209  -2.330
   12    HB2  ASN   2           HB2      ASN   2   7.099   1.234   0.508
   13    HB3  ASN   2           HB3      ASN   2   7.251  -0.453   0.026
   14   HD21  ASN   2          HD21      ASN   2   9.174   1.298   1.336
   15   HD22  ASN   2          HD22      ASN   2  10.573   1.315   0.323
   16    H    ILE   3           H        ILE   3   5.081  -0.964  -2.539
   17    HA   ILE   3           HA       ILE   3   2.622  -0.048  -1.239
   18    HB   ILE   3           HB       ILE   3   2.828  -2.191  -3.345
   19   HG12  ILE   3          HG12      ILE   3   2.446   0.785  -3.743
   20   HG13  ILE   3          HG13      ILE   3   3.864  -0.143  -4.216
   21   HG21  ILE   3          HG21      ILE   3   0.474  -0.472  -3.253
   22   HG22  ILE   3          HG22      ILE   3   0.594  -2.229  -3.317
   23   HG23  ILE   3          HG23      ILE   3   0.730  -1.392  -1.771
   24   HD11  ILE   3          HD11      ILE   3   1.128  -0.139  -5.410
   25   HD12  ILE   3          HD12      ILE   3   2.694   0.081  -6.192
   26   HD13  ILE   3          HD13      ILE   3   2.205  -1.517  -5.630
   27    H    THR   4           H        THR   4   4.653  -1.444   0.271
   28    HA   THR   4           HA       THR   4   4.997  -3.312   1.575
   29    HB   THR   4           HB       THR   4   3.300  -2.066   2.824
   30    HG1  THR   4           HG1      THR   4   3.002  -3.709   4.172
   31   HG21  THR   4          HG21      THR   4   1.331  -3.741   1.262
   32   HG22  THR   4          HG22      THR   4   1.515  -1.988   1.194
   33   HG23  THR   4          HG23      THR   4   0.921  -2.757   2.666
   34    H    SER   5           H        SER   5   4.763  -4.104  -1.083
   35    HA   SER   5           HA       SER   5   2.851  -6.201  -1.395
   36    HB2  SER   5           HB2      SER   5   3.580  -5.282  -3.425
   37    HB3  SER   5           HB3      SER   5   5.275  -5.316  -2.941
   38    HG   SER   5           HG       SER   5   3.823  -7.204  -4.213
   39    H    GLN   6           H        GLN   6   6.413  -6.327  -1.181
   40    HA   GLN   6           HA       GLN   6   6.188  -8.735   0.462
   41    HB2  GLN   6           HB2      GLN   6   8.010  -9.800  -0.927
   42    HB3  GLN   6           HB3      GLN   6   6.431  -9.702  -1.694
   43    HG2  GLN   6           HG2      GLN   6   7.103  -8.052  -3.169
   44    HG3  GLN   6           HG3      GLN   6   8.472  -7.573  -2.166
   45   HE21  GLN   6          HE21      GLN   6   9.234  -7.808  -4.570
   46   HE22  GLN   6          HE22      GLN   6  10.000  -9.314  -4.929
   47    H    MET   7           H        MET   7   8.126  -9.253   1.637
   48    HA   MET   7           HA       MET   7  10.289  -7.320   1.612
   49    HB2  MET   7           HB2      MET   7   8.299  -7.545   3.837
   50    HB3  MET   7           HB3      MET   7   9.973  -7.161   4.214
   51    HG2  MET   7           HG2      MET   7   9.841  -5.231   2.687
   52    HG3  MET   7           HG3      MET   7   8.140  -5.599   2.410
   53    HE1  MET   7           HE1      MET   7   9.378  -2.534   5.095
   54    HE2  MET   7           HE2      MET   7  10.661  -3.719   4.847
   55    HE3  MET   7           HE3      MET   7   9.807  -3.040   3.460
   56    H    ASN   8           H        ASN   8  12.177  -8.067   2.596
   57    HA   ASN   8           HA       ASN   8  12.385 -10.924   2.775
   58    HB2  ASN   8           HB2      ASN   8  14.288  -8.626   2.871
   59    HB3  ASN   8           HB3      ASN   8  14.815 -10.169   3.538
   60   HD21  ASN   8          HD21      ASN   8  15.641  -8.620   1.139
   61   HD22  ASN   8          HD22      ASN   8  15.512  -9.734  -0.176
   62    H    LYS   9           H        LYS   9  12.465 -12.179   4.543
   63    HA   LYS   9           HA       LYS   9  11.578 -11.227   7.032
   64    HB2  LYS   9           HB2      LYS   9  11.305 -13.560   6.261
   65    HB3  LYS   9           HB3      LYS   9  13.039 -13.805   6.425
   66    HG2  LYS   9           HG2      LYS   9  12.137 -14.736   8.358
   67    HG3  LYS   9           HG3      LYS   9  12.720 -13.152   8.873
   68    HD2  LYS   9           HD2      LYS   9  10.614 -13.253   9.838
   69    HD3  LYS   9           HD3      LYS   9  10.307 -12.365   8.344
   70    HE2  LYS   9           HE2      LYS   9   8.589 -13.968   8.491
   71    HE3  LYS   9           HE3      LYS   9   9.726 -14.605   7.304
   72    HZ1  LYS   9           HZ1      LYS   9   9.048 -15.606   9.946
   73    HZ2  LYS   9           HZ2      LYS   9  10.683 -15.700   9.523
   74    HZ3  LYS   9           HZ3      LYS   9   9.515 -16.448   8.555
   75    H    THR  10           H        THR  10  14.799 -11.838   5.763
   76    HA   THR  10           HA       THR  10  16.265 -11.713   8.134
   77    HB   THR  10           HB       THR  10  17.474 -10.440   5.742
   78    HG1  THR  10           HG1      THR  10  17.412 -12.265   4.530
   79   HG21  THR  10          HG21      THR  10  19.302 -12.011   6.308
   80   HG22  THR  10          HG22      THR  10  18.308 -12.660   7.612
   81   HG23  THR  10          HG23      THR  10  18.846 -10.982   7.665
   82    H    ILE  11           H        ILE  11  15.082  -9.137   6.031
   83    HA   ILE  11           HA       ILE  11  16.453  -6.984   7.157
   84    HB   ILE  11           HB       ILE  11  13.652  -6.940   6.029
   85   HG12  ILE  11          HG12      ILE  11  15.302  -7.967   4.491
   86   HG13  ILE  11          HG13      ILE  11  14.688  -6.432   3.886
   87   HG21  ILE  11          HG21      ILE  11  14.537  -4.569   5.377
   88   HG22  ILE  11          HG22      ILE  11  13.897  -4.866   6.992
   89   HG23  ILE  11          HG23      ILE  11  15.640  -4.829   6.728
   90   HD11  ILE  11          HD11      ILE  11  17.331  -6.832   5.269
   91   HD12  ILE  11          HD12      ILE  11  17.089  -6.670   3.529
   92   HD13  ILE  11          HD13      ILE  11  16.719  -5.319   4.600
   93    H    ILE  12           H        ILE  12  13.216  -8.238   7.953
   94    HA   ILE  12           HA       ILE  12  12.543  -6.468   9.965
   95    HB   ILE  12           HB       ILE  12  11.898  -9.418   9.910
   96   HG12  ILE  12          HG12      ILE  12  10.424  -7.059   8.719
   97   HG13  ILE  12          HG13      ILE  12  11.275  -8.306   7.815
   98   HG21  ILE  12          HG21      ILE  12  10.675  -9.092  11.733
   99   HG22  ILE  12          HG22      ILE  12  11.357  -7.471  11.852
  100   HG23  ILE  12          HG23      ILE  12   9.844  -7.729  10.984
  101   HD11  ILE  12          HD11      ILE  12   9.369  -9.418   7.710
  102   HD12  ILE  12          HD12      ILE  12   9.475  -9.670   9.453
  103   HD13  ILE  12          HD13      ILE  12   8.589  -8.286   8.814
  104    H    GLY  13           H        GLY  13  14.342  -9.525  10.243
  105    HA2  GLY  13           HA2      GLY  13  14.655  -9.654  12.981
  106    HA3  GLY  13           HA3      GLY  13  15.848 -10.234  11.828
  107    H    VAL  14           H        VAL  14  17.136  -8.319  10.793
  108    HA   VAL  14           HA       VAL  14  18.785  -7.228  12.709
  109    HB   VAL  14           HB       VAL  14  18.220  -6.053   9.983
  110   HG11  VAL  14          HG11      VAL  14  19.438  -4.436  11.157
  111   HG12  VAL  14          HG12      VAL  14  20.430  -5.646  11.973
  112   HG13  VAL  14          HG13      VAL  14  20.660  -5.330  10.253
  113   HG21  VAL  14          HG21      VAL  14  20.491  -7.391   9.626
  114   HG22  VAL  14          HG22      VAL  14  19.794  -8.396  10.896
  115   HG23  VAL  14          HG23      VAL  14  18.911  -8.140   9.391
  116    H    SER  15           H        SER  15  15.965  -5.750  11.156
  117    HA   SER  15           HA       SER  15  16.145  -3.178  12.127
  118    HB2  SER  15           HB2      SER  15  14.382  -4.244  10.556
  119    HB3  SER  15           HB3      SER  15  13.500  -4.612  12.039
  120    HG   SER  15           HG       SER  15  14.438  -2.007  11.489
  121    H    VAL  16           H        VAL  16  14.595  -5.970  13.694
  122    HA   VAL  16           HA       VAL  16  13.788  -4.625  16.028
  123    HB   VAL  16           HB       VAL  16  14.530  -7.544  15.893
  124   HG11  VAL  16          HG11      VAL  16  13.661  -6.015  17.994
  125   HG12  VAL  16          HG12      VAL  16  12.161  -6.716  17.383
  126   HG13  VAL  16          HG13      VAL  16  13.494  -7.766  17.863
  127   HG21  VAL  16          HG21      VAL  16  12.376  -6.078  14.545
  128   HG22  VAL  16          HG22      VAL  16  13.063  -7.664  14.194
  129   HG23  VAL  16          HG23      VAL  16  11.848  -7.489  15.460
  130    H    LEU  17           H        LEU  17  16.739  -6.425  15.256
  131    HA   LEU  17           HA       LEU  17  17.927  -6.413  17.772
  132    HB2  LEU  17           HB2      LEU  17  19.021  -6.437  14.986
  133    HB3  LEU  17           HB3      LEU  17  20.107  -6.365  16.372
  134    HG   LEU  17           HG       LEU  17  18.085  -8.557  15.925
  135   HD11  LEU  17          HD11      LEU  17  20.712  -8.114  14.755
  136   HD12  LEU  17          HD12      LEU  17  19.456  -9.272  14.319
  137   HD13  LEU  17          HD13      LEU  17  20.589  -9.648  15.617
  138   HD21  LEU  17          HD21      LEU  17  19.642  -9.717  17.564
  139   HD22  LEU  17          HD22      LEU  17  18.608  -8.445  18.215
  140   HD23  LEU  17          HD23      LEU  17  20.312  -8.119  17.895
  141    H    SER  18           H        SER  18  17.963  -3.956  15.231
  142    HA   SER  18           HA       SER  18  19.777  -2.221  16.587
  143    HB2  SER  18           HB2      SER  18  18.239  -0.667  14.823
  144    HB3  SER  18           HB3      SER  18  19.822  -1.378  14.509
  145    HG   SER  18           HG       SER  18  17.964  -1.919  13.049
  146    H    VAL  19           H        VAL  19  16.311  -2.644  16.567
  147    HA   VAL  19           HA       VAL  19  15.573  -0.185  17.728
  148    HB   VAL  19           HB       VAL  19  14.198  -2.869  17.904
  149   HG11  VAL  19          HG11      VAL  19  12.171  -1.509  18.399
  150   HG12  VAL  19          HG12      VAL  19  13.389  -1.470  19.676
  151   HG13  VAL  19          HG13      VAL  19  13.215  -0.100  18.577
  152   HG21  VAL  19          HG21      VAL  19  14.602  -1.177  15.716
  153   HG22  VAL  19          HG22      VAL  19  13.479  -2.533  15.826
  154   HG23  VAL  19          HG23      VAL  19  12.936  -0.903  16.223
  155    H    LEU  20           H        LEU  20  15.970  -3.389  19.249
  156    HA   LEU  20           HA       LEU  20  15.638  -2.505  21.891
  157    HB2  LEU  20           HB2      LEU  20  16.864  -4.631  22.475
  158    HB3  LEU  20           HB3      LEU  20  15.416  -4.809  21.486
  159    HG   LEU  20           HG       LEU  20  17.387  -4.676  19.593
  160   HD11  LEU  20          HD11      LEU  20  18.923  -4.870  21.729
  161   HD12  LEU  20          HD12      LEU  20  19.308  -5.724  20.235
  162   HD13  LEU  20          HD13      LEU  20  18.531  -6.582  21.566
  163   HD21  LEU  20          HD21      LEU  20  16.084  -7.008  20.973
  164   HD22  LEU  20          HD22      LEU  20  17.123  -7.198  19.560
  165   HD23  LEU  20          HD23      LEU  20  15.639  -6.250  19.444
  166    H    VAL  21           H        VAL  21  18.606  -3.119  20.026
  167    HA   VAL  21           HA       VAL  21  20.510  -2.566  21.926
  168    HB   VAL  21           HB       VAL  21  20.503  -1.985  18.971
  169   HG11  VAL  21          HG11      VAL  21  22.695  -1.528  20.979
  170   HG12  VAL  21          HG12      VAL  21  23.008  -1.747  19.256
  171   HG13  VAL  21          HG13      VAL  21  22.029  -0.389  19.810
  172   HG21  VAL  21          HG21      VAL  21  22.413  -3.897  20.057
  173   HG22  VAL  21          HG22      VAL  21  20.736  -4.334  20.387
  174   HG23  VAL  21          HG23      VAL  21  21.268  -4.072  18.726
  175    H    VAL  22           H        VAL  22  19.275  -0.174  19.579
  176    HA   VAL  22           HA       VAL  22  20.471   2.078  20.627
  177    HB   VAL  22           HB       VAL  22  17.747   1.881  19.335
  178   HG11  VAL  22          HG11      VAL  22  17.722   3.982  20.321
  179   HG12  VAL  22          HG12      VAL  22  19.454   4.224  20.084
  180   HG13  VAL  22          HG13      VAL  22  18.353   4.314  18.709
  181   HG21  VAL  22          HG21      VAL  22  19.984   1.124  18.168
  182   HG22  VAL  22          HG22      VAL  22  18.765   2.046  17.289
  183   HG23  VAL  22          HG23      VAL  22  20.187   2.861  17.940
  184    H    SER  23           H        SER  23  17.231   0.816  21.406
  185    HA   SER  23           HA       SER  23  16.470   2.723  23.261
  186    HB2  SER  23           HB2      SER  23  15.120   0.750  22.304
  187    HB3  SER  23           HB3      SER  23  15.820  -0.198  23.616
  188    HG   SER  23           HG       SER  23  14.186   2.109  23.826
  189    H    VAL  24           H        VAL  24  18.181  -0.340  23.861
  190    HA   VAL  24           HA       VAL  24  18.436  -0.189  26.605
  191    HB   VAL  24           HB       VAL  24  20.472  -1.256  24.645
  192   HG11  VAL  24          HG11      VAL  24  20.709  -2.763  26.896
  193   HG12  VAL  24          HG12      VAL  24  21.752  -1.399  26.486
  194   HG13  VAL  24          HG13      VAL  24  20.384  -1.168  27.575
  195   HG21  VAL  24          HG21      VAL  24  17.861  -2.122  25.230
  196   HG22  VAL  24          HG22      VAL  24  19.096  -2.965  24.294
  197   HG23  VAL  24          HG23      VAL  24  18.954  -3.253  26.028
  198    H    VAL  25           H        VAL  25  20.754   1.014  24.177
  199    HA   VAL  25           HA       VAL  25  22.642   2.105  25.862
  200    HB   VAL  25           HB       VAL  25  21.710   3.203  23.206
  201   HG11  VAL  25          HG11      VAL  25  22.945   4.906  24.359
  202   HG12  VAL  25          HG12      VAL  25  24.207   3.755  24.802
  203   HG13  VAL  25          HG13      VAL  25  23.983   4.213  23.114
  204   HG21  VAL  25          HG21      VAL  25  22.831   1.551  22.221
  205   HG22  VAL  25          HG22      VAL  25  24.249   1.822  23.234
  206   HG23  VAL  25          HG23      VAL  25  22.944   0.782  23.805
  207    H    ALA  26           H        ALA  26  19.829   3.789  24.459
  208    HA   ALA  26           HA       ALA  26  20.158   6.260  25.634
  209    HB1  ALA  26           HB1      ALA  26  18.247   6.674  24.585
  210    HB2  ALA  26           HB2      ALA  26  18.146   4.960  24.183
  211    HB3  ALA  26           HB3      ALA  26  17.372   5.569  25.645
  212    H    VAL  27           H        VAL  27  18.724   3.342  27.007
  213    HA   VAL  27           HA       VAL  27  17.835   4.594  29.414
  214    HB   VAL  27           HB       VAL  27  18.342   1.668  28.852
  215   HG11  VAL  27          HG11      VAL  27  16.431   1.701  30.745
  216   HG12  VAL  27          HG12      VAL  27  18.154   1.570  31.101
  217   HG13  VAL  27          HG13      VAL  27  17.346   3.135  31.209
  218   HG21  VAL  27          HG21      VAL  27  15.582   2.351  29.014
  219   HG22  VAL  27          HG22      VAL  27  16.361   3.428  27.854
  220   HG23  VAL  27          HG23      VAL  27  16.475   1.680  27.649
  221    H    LEU  28           H        LEU  28  20.636   2.575  28.577
  222    HA   LEU  28           HA       LEU  28  21.817   2.307  31.043
  223    HB2  LEU  28           HB2      LEU  28  22.916   2.550  28.278
  224    HB3  LEU  28           HB3      LEU  28  24.020   2.488  29.650
  225    HG   LEU  28           HG       LEU  28  21.946   0.360  29.332
  226   HD11  LEU  28          HD11      LEU  28  24.463   0.666  27.731
  227   HD12  LEU  28          HD12      LEU  28  22.838   0.264  27.177
  228   HD13  LEU  28          HD13      LEU  28  23.777  -0.919  28.087
  229   HD21  LEU  28          HD21      LEU  28  23.111   0.203  31.354
  230   HD22  LEU  28          HD22      LEU  28  24.652   0.620  30.604
  231   HD23  LEU  28          HD23      LEU  28  23.918  -0.954  30.295
  232    H    VAL  29           H        VAL  29  22.291   4.977  28.736
  233    HA   VAL  29           HA       VAL  29  24.015   6.473  30.411
  234    HB   VAL  29           HB       VAL  29  22.246   7.572  28.227
  235   HG11  VAL  29          HG11      VAL  29  23.399   9.186  29.747
  236   HG12  VAL  29          HG12      VAL  29  24.937   8.523  29.193
  237   HG13  VAL  29          HG13      VAL  29  23.860   9.325  28.050
  238   HG21  VAL  29          HG21      VAL  29  24.976   6.305  28.018
  239   HG22  VAL  29          HG22      VAL  29  23.470   5.674  27.349
  240   HG23  VAL  29          HG23      VAL  29  24.157   7.171  26.718
  241    H    TYR  30           H        TYR  30  20.523   6.614  29.819
  242    HA   TYR  30           HA       TYR  30  19.837   8.879  31.204
  243    HB2  TYR  30           HB2      TYR  30  18.465   6.725  30.101
  244    HB3  TYR  30           HB3      TYR  30  17.991   6.708  31.796
  245    HD1  TYR  30           HD1      TYR  30  16.008   7.789  32.218
  246    HD2  TYR  30           HD2      TYR  30  18.561   9.331  29.184
  247    HE1  TYR  30           HE1      TYR  30  14.396   9.598  31.789
  248    HE2  TYR  30           HE2      TYR  30  16.958  11.144  28.747
  249    HH   TYR  30           HH       TYR  30  13.835  11.116  29.746
  250    H    LYS  31           H        LYS  31  20.498   5.662  32.508
  251    HA   LYS  31           HA       LYS  31  20.005   6.552  35.227
  252    HB2  LYS  31           HB2      LYS  31  21.170   3.899  34.404
  253    HB3  LYS  31           HB3      LYS  31  20.292   4.291  35.876
  254    HG2  LYS  31           HG2      LYS  31  18.231   4.447  34.704
  255    HG3  LYS  31           HG3      LYS  31  19.045   4.359  33.141
  256    HD2  LYS  31           HD2      LYS  31  19.288   2.111  33.245
  257    HD3  LYS  31           HD3      LYS  31  19.547   2.114  34.991
  258    HE2  LYS  31           HE2      LYS  31  17.219   2.278  35.422
  259    HE3  LYS  31           HE3      LYS  31  16.863   2.631  33.731
  260    HZ1  LYS  31           HZ1      LYS  31  16.328   0.341  34.317
  261    HZ2  LYS  31           HZ2      LYS  31  17.937   0.058  34.754
  262    HZ3  LYS  31           HZ3      LYS  31  17.545   0.400  33.144
  263    H    PHE  32           H        PHE  32  22.762   5.250  33.383
  264    HA   PHE  32           HA       PHE  32  24.724   5.432  35.302
  265    HB2  PHE  32           HB2      PHE  32  24.741   5.642  32.322
  266    HB3  PHE  32           HB3      PHE  32  26.220   6.015  33.201
  267    HD1  PHE  32           HD1      PHE  32  23.596   3.428  33.757
  268    HD2  PHE  32           HD2      PHE  32  27.681   4.263  32.905
  269    HE1  PHE  32           HE1      PHE  32  24.112   1.026  33.895
  270    HE2  PHE  32           HE2      PHE  32  28.204   1.863  33.041
  271    HZ   PHE  32           HZ       PHE  32  26.418   0.241  33.535
  272    H    TYR  33           H        TYR  33  23.119   7.983  33.621
  273    HA   TYR  33           HA       TYR  33  25.021   9.943  34.720
  274    HB2  TYR  33           HB2      TYR  33  23.171  10.054  32.346
  275    HB3  TYR  33           HB3      TYR  33  23.855  11.513  33.053
  276    HD1  TYR  33           HD1      TYR  33  25.087   8.134  32.007
  277    HD2  TYR  33           HD2      TYR  33  25.711  12.343  31.980
  278    HE1  TYR  33           HE1      TYR  33  27.126   7.817  30.670
  279    HE2  TYR  33           HE2      TYR  33  27.751  12.037  30.642
  280    HH   TYR  33           HH       TYR  33  29.471   9.969  30.355
  281    H    PHE  34           H        PHE  34  21.547   9.432  34.135
  282    HA   PHE  34           HA       PHE  34  20.991  11.198  36.426
  283    HB2  PHE  34           HB2      PHE  34  19.041  10.502  34.231
  284    HB3  PHE  34           HB3      PHE  34  18.910  11.788  35.427
  285    HD1  PHE  34           HD1      PHE  34  20.685  10.690  32.390
  286    HD2  PHE  34           HD2      PHE  34  19.917  13.901  35.077
  287    HE1  PHE  34           HE1      PHE  34  21.728  12.259  30.808
  288    HE2  PHE  34           HE2      PHE  34  20.958  15.475  33.498
  289    HZ   PHE  34           HZ       PHE  34  21.864  14.655  31.360
  290    H    HIS  35           H        HIS  35  21.673   8.714  37.134
  291    HA   HIS  35           HA       HIS  35  19.843   6.670  37.154
  292    HB2  HIS  35           HB2      HIS  35  21.989   6.295  38.116
  293    HB3  HIS  35           HB3      HIS  35  21.760   7.578  39.300
  294    HD1  HIS  35           HD1      HIS  35  21.566   6.532  41.524
  295    HD2  HIS  35           HD2      HIS  35  19.560   4.345  38.617
  296    HE1  HIS  35           HE1      HIS  35  20.470   4.630  42.751
  Start of MODEL    2
    1    H1   MET   1           H        MET   1   4.405   1.636  -0.861
    2    HA   MET   1           HA       MET   1   4.532   1.832  -3.762
    3    HB2  MET   1           HB2      MET   1   6.395   2.783  -2.601
    4    HB3  MET   1           HB3      MET   1   6.624   1.324  -1.647
    5    HG2  MET   1           HG2      MET   1   8.322   1.453  -3.336
    6    HG3  MET   1           HG3      MET   1   7.239   0.110  -3.694
    7    HE1  MET   1           HE1      MET   1   9.347   1.388  -5.554
    8    HE2  MET   1           HE2      MET   1   8.339   0.206  -6.390
    9    HE3  MET   1           HE3      MET   1   8.587   1.806  -7.090
   10    H    ASN   2           H        ASN   2   4.900  -0.605  -1.219
   11    HA   ASN   2           HA       ASN   2   5.270  -2.720  -3.170
   12    HB2  ASN   2           HB2      ASN   2   4.997  -2.877  -0.160
   13    HB3  ASN   2           HB3      ASN   2   5.486  -4.193  -1.223
   14   HD21  ASN   2          HD21      ASN   2   6.462  -1.390   0.469
   15   HD22  ASN   2          HD22      ASN   2   8.133  -1.431   0.031
   16    H    ILE   3           H        ILE   3   2.998  -1.829  -3.940
   17    HA   ILE   3           HA       ILE   3   0.633  -2.403  -2.653
   18    HB   ILE   3           HB       ILE   3   1.180  -2.732  -5.606
   19   HG12  ILE   3          HG12      ILE   3   0.149  -0.335  -4.073
   20   HG13  ILE   3          HG13      ILE   3   1.788  -0.504  -4.692
   21   HG21  ILE   3          HG21      ILE   3  -1.402  -2.357  -4.096
   22   HG22  ILE   3          HG22      ILE   3  -1.239  -2.285  -5.850
   23   HG23  ILE   3          HG23      ILE   3  -0.899  -3.789  -4.994
   24   HD11  ILE   3          HD11      ILE   3  -0.461   0.552  -5.996
   25   HD12  ILE   3          HD12      ILE   3   1.157   0.296  -6.650
   26   HD13  ILE   3          HD13      ILE   3  -0.068  -0.962  -6.809
   27    H    THR   4           H        THR   4   2.318  -4.552  -4.951
   28    HA   THR   4           HA       THR   4   0.958  -6.829  -3.662
   29    HB   THR   4           HB       THR   4   1.718  -7.879  -6.033
   30    HG1  THR   4           HG1      THR   4   2.373  -6.149  -7.146
   31   HG21  THR   4          HG21      THR   4  -0.619  -7.486  -6.782
   32   HG22  THR   4          HG22      THR   4  -0.823  -6.358  -5.442
   33   HG23  THR   4          HG23      THR   4  -0.510  -8.063  -5.120
   34    H    SER   5           H        SER   5   3.961  -5.425  -4.607
   35    HA   SER   5           HA       SER   5   5.531  -7.810  -4.468
   36    HB2  SER   5           HB2      SER   5   6.036  -5.468  -5.590
   37    HB3  SER   5           HB3      SER   5   6.737  -5.112  -4.012
   38    HG   SER   5           HG       SER   5   8.403  -6.035  -4.978
   39    H    GLN   6           H        GLN   6   7.554  -7.630  -2.892
   40    HA   GLN   6           HA       GLN   6   6.785  -6.756  -0.229
   41    HB2  GLN   6           HB2      GLN   6   7.008  -8.894   0.811
   42    HB3  GLN   6           HB3      GLN   6   5.874  -9.077  -0.521
   43    HG2  GLN   6           HG2      GLN   6   7.894  -9.861  -1.882
   44    HG3  GLN   6           HG3      GLN   6   8.706 -10.028  -0.326
   45   HE21  GLN   6          HE21      GLN   6   8.313 -11.775   0.893
   46   HE22  GLN   6          HE22      GLN   6   7.177 -13.016   0.498
   47    H    MET   7           H        MET   7   8.630  -7.421   1.366
   48    HA   MET   7           HA       MET   7  11.233  -7.299   0.020
   49    HB2  MET   7           HB2      MET   7  10.110  -5.052   1.063
   50    HB3  MET   7           HB3      MET   7  11.005  -5.651   2.454
   51    HG2  MET   7           HG2      MET   7  12.620  -4.375   1.521
   52    HG3  MET   7           HG3      MET   7  12.928  -5.876   0.652
   53    HE1  MET   7           HE1      MET   7  13.903  -3.438  -1.871
   54    HE2  MET   7           HE2      MET   7  13.259  -2.236  -0.752
   55    HE3  MET   7           HE3      MET   7  14.168  -3.618  -0.136
   56    H    ASN   8           H        ASN   8  13.050  -7.798   1.485
   57    HA   ASN   8           HA       ASN   8  12.598 -10.164   2.918
   58    HB2  ASN   8           HB2      ASN   8  14.912  -8.304   2.593
   59    HB3  ASN   8           HB3      ASN   8  14.989  -9.521   3.864
   60   HD21  ASN   8          HD21      ASN   8  15.195 -11.660   3.330
   61   HD22  ASN   8          HD22      ASN   8  15.528 -12.203   1.724
   62    H    LYS   9           H        LYS   9  11.603 -10.392   4.798
   63    HA   LYS   9           HA       LYS   9  11.175  -8.216   6.595
   64    HB2  LYS   9           HB2      LYS   9   9.620 -10.179   6.224
   65    HB3  LYS   9           HB3      LYS   9  10.744 -11.149   7.168
   66    HG2  LYS   9           HG2      LYS   9   9.003 -10.472   8.623
   67    HG3  LYS   9           HG3      LYS   9  10.430  -9.522   9.045
   68    HD2  LYS   9           HD2      LYS   9   9.575  -7.593   7.961
   69    HD3  LYS   9           HD3      LYS   9   8.290  -8.518   7.180
   70    HE2  LYS   9           HE2      LYS   9   7.460  -7.191   9.074
   71    HE3  LYS   9           HE3      LYS   9   7.238  -8.921   9.326
   72    HZ1  LYS   9           HZ1      LYS   9   8.796  -8.979  10.969
   73    HZ2  LYS   9           HZ2      LYS   9   8.221  -7.404  11.195
   74    HZ3  LYS   9           HZ3      LYS   9   9.672  -7.664  10.364
   75    H    THR  10           H        THR  10  13.549 -10.721   6.310
   76    HA   THR  10           HA       THR  10  14.488 -10.933   8.913
   77    HB   THR  10           HB       THR  10  16.530 -10.866   6.755
   78    HG1  THR  10           HG1      THR  10  15.717 -12.895   5.964
   79   HG21  THR  10          HG21      THR  10  15.807 -12.840   8.924
   80   HG22  THR  10          HG22      THR  10  17.121 -11.664   8.969
   81   HG23  THR  10          HG23      THR  10  17.174 -13.001   7.822
   82    H    ILE  11           H        ILE  11  15.462  -8.633   6.381
   83    HA   ILE  11           HA       ILE  11  17.430  -7.285   7.834
   84    HB   ILE  11           HB       ILE  11  15.606  -6.095   5.742
   85   HG12  ILE  11          HG12      ILE  11  16.729  -8.168   4.979
   86   HG13  ILE  11          HG13      ILE  11  17.297  -6.742   4.117
   87   HG21  ILE  11          HG21      ILE  11  17.805  -5.040   7.281
   88   HG22  ILE  11          HG22      ILE  11  18.160  -4.999   5.555
   89   HG23  ILE  11          HG23      ILE  11  16.708  -4.213   6.176
   90   HD11  ILE  11          HD11      ILE  11  18.863  -8.658   5.311
   91   HD12  ILE  11          HD12      ILE  11  19.388  -7.055   4.795
   92   HD13  ILE  11          HD13      ILE  11  18.893  -7.327   6.466
   93    H    ILE  12           H        ILE  12  13.956  -6.616   7.529
   94    HA   ILE  12           HA       ILE  12  13.900  -4.272   9.064
   95    HB   ILE  12           HB       ILE  12  11.716  -6.337   8.759
   96   HG12  ILE  12          HG12      ILE  12  12.544  -5.469   6.605
   97   HG13  ILE  12          HG13      ILE  12  10.903  -4.924   6.937
   98   HG21  ILE  12          HG21      ILE  12  11.275  -4.854  10.619
   99   HG22  ILE  12          HG22      ILE  12  11.600  -3.447   9.608
  100   HG23  ILE  12          HG23      ILE  12  10.199  -4.466   9.277
  101   HD11  ILE  12          HD11      ILE  12  12.144  -3.106   6.023
  102   HD12  ILE  12          HD12      ILE  12  11.852  -2.771   7.730
  103   HD13  ILE  12          HD13      ILE  12  13.438  -3.330   7.200
  104    H    GLY  13           H        GLY  13  13.391  -7.662  10.015
  105    HA2  GLY  13           HA2      GLY  13  12.730  -7.319  12.673
  106    HA3  GLY  13           HA3      GLY  13  13.628  -8.696  12.053
  107    H    VAL  14           H        VAL  14  16.031  -8.078  11.556
  108    HA   VAL  14           HA       VAL  14  17.345  -7.662  13.941
  109    HB   VAL  14           HB       VAL  14  18.413  -7.025  11.187
  110   HG11  VAL  14          HG11      VAL  14  19.623  -7.077  13.871
  111   HG12  VAL  14          HG12      VAL  14  20.533  -7.906  12.606
  112   HG13  VAL  14          HG13      VAL  14  20.112  -6.203  12.420
  113   HG21  VAL  14          HG21      VAL  14  17.663  -9.507  12.421
  114   HG22  VAL  14          HG22      VAL  14  18.262  -9.208  10.789
  115   HG23  VAL  14          HG23      VAL  14  19.399  -9.483  12.109
  116    H    SER  15           H        SER  15  16.570  -5.282  11.431
  117    HA   SER  15           HA       SER  15  17.923  -3.083  12.393
  118    HB2  SER  15           HB2      SER  15  16.374  -3.395  10.291
  119    HB3  SER  15           HB3      SER  15  15.134  -2.732  11.354
  120    HG   SER  15           HG       SER  15  16.383  -1.184  10.051
  121    H    VAL  16           H        VAL  16  14.672  -4.195  13.296
  122    HA   VAL  16           HA       VAL  16  14.126  -2.128  15.132
  123    HB   VAL  16           HB       VAL  16  13.035  -4.932  15.316
  124   HG11  VAL  16          HG11      VAL  16  12.147  -3.879  17.124
  125   HG12  VAL  16          HG12      VAL  16  12.290  -2.276  16.400
  126   HG13  VAL  16          HG13      VAL  16  10.979  -3.351  15.912
  127   HG21  VAL  16          HG21      VAL  16  12.324  -4.657  13.211
  128   HG22  VAL  16          HG22      VAL  16  11.182  -3.499  13.894
  129   HG23  VAL  16          HG23      VAL  16  12.706  -2.935  13.210
  130    H    LEU  17           H        LEU  17  15.507  -5.366  15.565
  131    HA   LEU  17           HA       LEU  17  15.675  -5.362  18.350
  132    HB2  LEU  17           HB2      LEU  17  17.377  -6.690  16.256
  133    HB3  LEU  17           HB3      LEU  17  17.586  -6.975  17.982
  134    HG   LEU  17           HG       LEU  17  14.992  -7.501  16.549
  135   HD11  LEU  17          HD11      LEU  17  15.773  -9.388  15.687
  136   HD12  LEU  17          HD12      LEU  17  16.463  -9.872  17.236
  137   HD13  LEU  17          HD13      LEU  17  17.398  -8.864  16.132
  138   HD21  LEU  17          HD21      LEU  17  15.109  -9.205  18.627
  139   HD22  LEU  17          HD22      LEU  17  14.391  -7.597  18.722
  140   HD23  LEU  17          HD23      LEU  17  16.044  -7.860  19.280
  141    H    SER  18           H        SER  18  17.834  -4.025  15.913
  142    HA   SER  18           HA       SER  18  19.921  -3.363  17.748
  143    HB2  SER  18           HB2      SER  18  19.491  -3.225  14.910
  144    HB3  SER  18           HB3      SER  18  20.094  -1.671  15.486
  145    HG   SER  18           HG       SER  18  21.835  -2.778  16.448
  146    H    VAL  19           H        VAL  19  17.068  -1.746  16.538
  147    HA   VAL  19           HA       VAL  19  17.724   0.881  17.346
  148    HB   VAL  19           HB       VAL  19  15.008  -0.398  17.006
  149   HG11  VAL  19          HG11      VAL  19  14.434   2.116  16.586
  150   HG12  VAL  19          HG12      VAL  19  14.504   1.485  18.233
  151   HG13  VAL  19          HG13      VAL  19  15.862   2.403  17.580
  152   HG21  VAL  19          HG21      VAL  19  15.228  -0.115  14.805
  153   HG22  VAL  19          HG22      VAL  19  15.856   1.522  15.003
  154   HG23  VAL  19          HG23      VAL  19  16.947   0.140  15.106
  155    H    LEU  20           H        LEU  20  15.665  -1.578  18.907
  156    HA   LEU  20           HA       LEU  20  15.165  -0.109  21.248
  157    HB2  LEU  20           HB2      LEU  20  14.649  -2.369  22.237
  158    HB3  LEU  20           HB3      LEU  20  13.750  -1.929  20.787
  159    HG   LEU  20           HG       LEU  20  15.854  -3.321  19.740
  160   HD11  LEU  20          HD11      LEU  20  16.282  -3.847  22.294
  161   HD12  LEU  20          HD12      LEU  20  16.513  -5.069  21.043
  162   HD13  LEU  20          HD13      LEU  20  15.034  -5.060  22.004
  163   HD21  LEU  20          HD21      LEU  20  14.153  -5.242  19.709
  164   HD22  LEU  20          HD22      LEU  20  13.697  -3.719  18.946
  165   HD23  LEU  20          HD23      LEU  20  13.079  -4.123  20.549
  166    H    VAL  21           H        VAL  21  17.568  -2.651  20.589
  167    HA   VAL  21           HA       VAL  21  18.771  -2.842  23.051
  168    HB   VAL  21           HB       VAL  21  19.951  -3.040  20.290
  169   HG11  VAL  21          HG11      VAL  21  21.901  -2.535  21.368
  170   HG12  VAL  21          HG12      VAL  21  21.320  -3.121  22.929
  171   HG13  VAL  21          HG13      VAL  21  21.826  -4.268  21.687
  172   HG21  VAL  21          HG21      VAL  21  18.352  -4.738  21.751
  173   HG22  VAL  21          HG22      VAL  21  19.369  -5.196  20.385
  174   HG23  VAL  21          HG23      VAL  21  19.973  -5.373  22.032
  175    H    VAL  22           H        VAL  22  19.927  -0.745  20.401
  176    HA   VAL  22           HA       VAL  22  21.876   0.627  21.789
  177    HB   VAL  22           HB       VAL  22  20.069   1.704  19.619
  178   HG11  VAL  22          HG11      VAL  22  21.095   3.563  20.699
  179   HG12  VAL  22          HG12      VAL  22  22.660   2.750  20.744
  180   HG13  VAL  22          HG13      VAL  22  21.981   3.272  19.202
  181   HG21  VAL  22          HG21      VAL  22  22.841   0.970  19.002
  182   HG22  VAL  22          HG22      VAL  22  21.804  -0.385  19.448
  183   HG23  VAL  22          HG23      VAL  22  21.357   0.661  18.101
  184    H    SER  23           H        SER  23  18.472   1.595  21.365
  185    HA   SER  23           HA       SER  23  18.516   3.943  22.825
  186    HB2  SER  23           HB2      SER  23  16.567   2.434  21.575
  187    HB3  SER  23           HB3      SER  23  16.076   2.389  23.268
  188    HG   SER  23           HG       SER  23  15.459   4.378  23.079
  189    H    VAL  24           H        VAL  24  17.760   0.669  24.005
  190    HA   VAL  24           HA       VAL  24  17.273   1.239  26.658
  191    HB   VAL  24           HB       VAL  24  18.704  -1.183  25.556
  192   HG11  VAL  24          HG11      VAL  24  17.980  -0.407  28.258
  193   HG12  VAL  24          HG12      VAL  24  17.259  -1.946  27.784
  194   HG13  VAL  24          HG13      VAL  24  19.007  -1.726  27.698
  195   HG21  VAL  24          HG21      VAL  24  16.744  -1.903  24.789
  196   HG22  VAL  24          HG22      VAL  24  15.948  -1.558  26.325
  197   HG23  VAL  24          HG23      VAL  24  16.100  -0.291  25.107
  198    H    VAL  25           H        VAL  25  20.415   0.377  25.208
  199    HA   VAL  25           HA       VAL  25  22.007   0.544  27.452
  200    HB   VAL  25           HB       VAL  25  22.722   1.386  24.639
  201   HG11  VAL  25          HG11      VAL  25  25.054   0.860  25.373
  202   HG12  VAL  25          HG12      VAL  25  24.354   2.292  26.130
  203   HG13  VAL  25          HG13      VAL  25  24.454   0.777  27.028
  204   HG21  VAL  25          HG21      VAL  25  21.864  -1.010  25.202
  205   HG22  VAL  25          HG22      VAL  25  23.295  -0.806  24.192
  206   HG23  VAL  25          HG23      VAL  25  23.471  -1.218  25.898
  207    H    ALA  26           H        ALA  26  21.318   3.175  25.145
  208    HA   ALA  26           HA       ALA  26  22.716   5.213  26.365
  209    HB1  ALA  26           HB1      ALA  26  20.810   6.688  25.393
  210    HB2  ALA  26           HB2      ALA  26  21.845   5.769  24.299
  211    HB3  ALA  26           HB3      ALA  26  20.235   5.172  24.699
  212    H    VAL  27           H        VAL  27  19.495   3.987  27.133
  213    HA   VAL  27           HA       VAL  27  18.903   5.995  29.071
  214    HB   VAL  27           HB       VAL  27  17.683   3.249  28.748
  215   HG11  VAL  27          HG11      VAL  27  15.913   5.236  29.801
  216   HG12  VAL  27          HG12      VAL  27  16.415   3.702  30.514
  217   HG13  VAL  27          HG13      VAL  27  17.370   5.159  30.792
  218   HG21  VAL  27          HG21      VAL  27  15.859   5.035  27.800
  219   HG22  VAL  27          HG22      VAL  27  17.375   5.760  27.265
  220   HG23  VAL  27          HG23      VAL  27  16.974   4.107  26.798
  221    H    LEU  28           H        LEU  28  20.021   2.629  29.281
  222    HA   LEU  28           HA       LEU  28  20.045   2.277  32.006
  223    HB2  LEU  28           HB2      LEU  28  21.982   1.314  29.916
  224    HB3  LEU  28           HB3      LEU  28  22.037   0.779  31.595
  225    HG   LEU  28           HG       LEU  28  19.554   0.440  29.948
  226   HD11  LEU  28          HD11      LEU  28  20.736  -2.014  29.902
  227   HD12  LEU  28          HD12      LEU  28  22.113  -0.944  29.639
  228   HD13  LEU  28          HD13      LEU  28  20.721  -0.871  28.559
  229   HD21  LEU  28          HD21      LEU  28  19.734   0.141  32.508
  230   HD22  LEU  28          HD22      LEU  28  20.593  -1.348  32.114
  231   HD23  LEU  28          HD23      LEU  28  18.935  -1.112  31.559
  232    H    VAL  29           H        VAL  29  22.669   3.637  30.020
  233    HA   VAL  29           HA       VAL  29  24.377   4.225  32.196
  234    HB   VAL  29           HB       VAL  29  24.336   5.640  29.530
  235   HG11  VAL  29          HG11      VAL  29  25.747   6.649  31.272
  236   HG12  VAL  29          HG12      VAL  29  26.590   5.110  31.464
  237   HG13  VAL  29          HG13      VAL  29  26.700   5.994  29.942
  238   HG21  VAL  29          HG21      VAL  29  24.353   3.264  29.112
  239   HG22  VAL  29          HG22      VAL  29  25.961   3.918  28.802
  240   HG23  VAL  29          HG23      VAL  29  25.643   3.030  30.292
  241    H    TYR  30           H        TYR  30  22.014   6.173  30.412
  242    HA   TYR  30           HA       TYR  30  22.474   8.664  31.465
  243    HB2  TYR  30           HB2      TYR  30  20.468   7.483  29.945
  244    HB3  TYR  30           HB3      TYR  30  19.621   8.089  31.364
  245    HD1  TYR  30           HD1      TYR  30  18.826  10.252  31.286
  246    HD2  TYR  30           HD2      TYR  30  22.201   9.228  28.907
  247    HE1  TYR  30           HE1      TYR  30  18.826  12.515  30.324
  248    HE2  TYR  30           HE2      TYR  30  22.212  11.489  27.939
  249    HH   TYR  30           HH       TYR  30  19.850  13.462  27.850
  250    H    LYS  31           H        LYS  31  20.661   6.000  32.915
  251    HA   LYS  31           HA       LYS  31  20.056   7.562  35.284
  252    HB2  LYS  31           HB2      LYS  31  19.576   4.610  34.925
  253    HB3  LYS  31           HB3      LYS  31  18.736   5.727  35.993
  254    HG2  LYS  31           HG2      LYS  31  17.613   6.756  34.170
  255    HG3  LYS  31           HG3      LYS  31  18.617   5.905  32.994
  256    HD2  LYS  31           HD2      LYS  31  16.753   4.586  32.927
  257    HD3  LYS  31           HD3      LYS  31  17.630   3.783  34.232
  258    HE2  LYS  31           HE2      LYS  31  15.583   4.008  35.219
  259    HE3  LYS  31           HE3      LYS  31  16.324   5.529  35.716
  260    HZ1  LYS  31           HZ1      LYS  31  14.227   5.048  33.723
  261    HZ2  LYS  31           HZ2      LYS  31  15.266   6.363  33.498
  262    HZ3  LYS  31           HZ3      LYS  31  14.332   6.255  34.904
  263    H    PHE  32           H        PHE  32  21.867   4.587  34.536
  264    HA   PHE  32           HA       PHE  32  22.902   4.040  37.026
  265    HB2  PHE  32           HB2      PHE  32  23.869   3.561  34.243
  266    HB3  PHE  32           HB3      PHE  32  24.975   3.243  35.576
  267    HD1  PHE  32           HD1      PHE  32  23.435   2.064  37.633
  268    HD2  PHE  32           HD2      PHE  32  23.008   1.606  33.423
  269    HE1  PHE  32           HE1      PHE  32  22.382  -0.132  37.983
  270    HE2  PHE  32           HE2      PHE  32  21.954  -0.590  33.766
  271    HZ   PHE  32           HZ       PHE  32  21.639  -1.462  36.048
  272    H    TYR  33           H        TYR  33  23.708   6.625  34.882
  273    HA   TYR  33           HA       TYR  33  25.988   7.366  36.591
  274    HB2  TYR  33           HB2      TYR  33  25.350   7.977  33.712
  275    HB3  TYR  33           HB3      TYR  33  26.525   8.926  34.616
  276    HD1  TYR  33           HD1      TYR  33  28.721   8.341  34.268
  277    HD2  TYR  33           HD2      TYR  33  25.753   5.298  34.099
  278    HE1  TYR  33           HE1      TYR  33  30.461   6.681  33.755
  279    HE2  TYR  33           HE2      TYR  33  27.485   3.629  33.587
  280    HH   TYR  33           HH       TYR  33  29.638   3.269  33.201
  281    H    PHE  34           H        PHE  34  23.334   8.851  34.729
  282    HA   PHE  34           HA       PHE  34  23.311  11.059  36.671
  283    HB2  PHE  34           HB2      PHE  34  21.987  11.056  33.960
  284    HB3  PHE  34           HB3      PHE  34  22.338  12.440  34.990
  285    HD1  PHE  34           HD1      PHE  34  24.455  13.502  34.948
  286    HD2  PHE  34           HD2      PHE  34  23.827   9.885  32.795
  287    HE1  PHE  34           HE1      PHE  34  26.595  13.831  33.779
  288    HE2  PHE  34           HE2      PHE  34  25.966  10.207  31.623
  289    HZ   PHE  34           HZ       PHE  34  27.354  12.182  32.115
  290    H    HIS  35           H        HIS  35  22.161   8.780  37.581
  291    HA   HIS  35           HA       HIS  35  19.530   8.221  37.038
  292    HB2  HIS  35           HB2      HIS  35  21.291   7.394  38.926
  293    HB3  HIS  35           HB3      HIS  35  20.188   8.344  39.918
  294    HD1  HIS  35           HD1      HIS  35  17.515   7.649  39.374
  295    HD2  HIS  35           HD2      HIS  35  20.493   4.830  38.706
  296    HE1  HIS  35           HE1      HIS  35  16.342   5.425  39.348
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   9.430   0.126   7.067
    2    HA   MET   1           HA       MET   1  10.503   2.154   5.219
    3    HB2  MET   1           HB2      MET   1  11.720  -0.395   6.274
    4    HB3  MET   1           HB3      MET   1  12.378   0.466   4.889
    5    HG2  MET   1           HG2      MET   1  11.930   1.935   7.440
    6    HG3  MET   1           HG3      MET   1  13.324   0.868   7.284
    7    HE1  MET   1           HE1      MET   1  15.061   4.191   6.973
    8    HE2  MET   1           HE2      MET   1  13.402   4.533   7.460
    9    HE3  MET   1           HE3      MET   1  14.235   3.118   8.103
   10    H    ASN   2           H        ASN   2   9.102  -1.052   5.510
   11    HA   ASN   2           HA       ASN   2   8.938  -1.226   2.578
   12    HB2  ASN   2           HB2      ASN   2   8.348  -3.673   3.095
   13    HB3  ASN   2           HB3      ASN   2  10.016  -3.169   3.356
   14   HD21  ASN   2          HD21      ASN   2  10.666  -4.439   4.965
   15   HD22  ASN   2          HD22      ASN   2   9.899  -4.563   6.508
   16    H    ILE   3           H        ILE   3   7.174   0.515   3.408
   17    HA   ILE   3           HA       ILE   3   4.758  -0.239   4.486
   18    HB   ILE   3           HB       ILE   3   5.156   1.708   2.211
   19   HG12  ILE   3          HG12      ILE   3   6.555   2.144   4.234
   20   HG13  ILE   3          HG13      ILE   3   5.382   3.414   3.905
   21   HG21  ILE   3          HG21      ILE   3   2.860   1.350   2.313
   22   HG22  ILE   3          HG22      ILE   3   2.868   1.166   4.066
   23   HG23  ILE   3          HG23      ILE   3   3.095   2.759   3.346
   24   HD11  ILE   3          HD11      ILE   3   4.528   3.190   5.929
   25   HD12  ILE   3          HD12      ILE   3   4.221   1.476   5.652
   26   HD13  ILE   3          HD13      ILE   3   5.778   2.001   6.292
   27    H    THR   4           H        THR   4   5.534  -0.143   1.004
   28    HA   THR   4           HA       THR   4   3.412  -2.146   0.579
   29    HB   THR   4           HB       THR   4   3.740  -1.121  -1.899
   30    HG1  THR   4           HG1      THR   4   4.064   1.091  -0.129
   31   HG21  THR   4          HG21      THR   4   1.945  -0.112   0.307
   32   HG22  THR   4          HG22      THR   4   1.592  -1.380  -0.867
   33   HG23  THR   4          HG23      THR   4   1.737   0.296  -1.396
   34    H    SER   5           H        SER   5   6.729  -1.320   0.129
   35    HA   SER   5           HA       SER   5   7.497  -2.890  -2.007
   36    HB2  SER   5           HB2      SER   5   9.128  -2.659   0.522
   37    HB3  SER   5           HB3      SER   5   9.709  -2.815  -1.136
   38    HG   SER   5           HG       SER   5   9.829  -0.711  -0.976
   39    H    GLN   6           H        GLN   6   8.857  -4.942  -1.816
   40    HA   GLN   6           HA       GLN   6   7.191  -7.020  -0.842
   41    HB2  GLN   6           HB2      GLN   6   8.822  -8.531  -1.714
   42    HB3  GLN   6           HB3      GLN   6   8.714  -7.177  -2.831
   43    HG2  GLN   6           HG2      GLN   6  10.973  -7.422  -2.702
   44    HG3  GLN   6           HG3      GLN   6  10.712  -6.252  -1.410
   45   HE21  GLN   6          HE21      GLN   6  12.902  -7.235  -0.902
   46   HE22  GLN   6          HE22      GLN   6  12.903  -8.587   0.173
   47    H    MET   7           H        MET   7   7.399  -8.366   0.906
   48    HA   MET   7           HA       MET   7   9.157  -7.394   3.036
   49    HB2  MET   7           HB2      MET   7   6.651  -9.051   3.009
   50    HB3  MET   7           HB3      MET   7   7.696  -9.020   4.423
   51    HG2  MET   7           HG2      MET   7   6.816  -6.436   3.250
   52    HG3  MET   7           HG3      MET   7   5.659  -7.384   4.181
   53    HE1  MET   7           HE1      MET   7   5.096  -6.069   5.739
   54    HE2  MET   7           HE2      MET   7   5.867  -6.208   7.319
   55    HE3  MET   7           HE3      MET   7   6.089  -4.747   6.355
   56    H    ASN   8           H        ASN   8  10.558  -8.743   4.162
   57    HA   ASN   8           HA       ASN   8  10.863 -11.503   3.284
   58    HB2  ASN   8           HB2      ASN   8  12.315  -9.788   1.900
   59    HB3  ASN   8           HB3      ASN   8  13.348  -9.839   3.325
   60   HD21  ASN   8          HD21      ASN   8  11.754 -11.897   0.941
   61   HD22  ASN   8          HD22      ASN   8  12.961 -13.134   0.941
   62    H    LYS   9           H        LYS   9  11.845 -12.829   4.788
   63    HA   LYS   9           HA       LYS   9  11.624 -12.177   7.474
   64    HB2  LYS   9           HB2      LYS   9  11.722 -14.486   6.576
   65    HB3  LYS   9           HB3      LYS   9  13.439 -14.270   6.260
   66    HG2  LYS   9           HG2      LYS   9  13.406 -15.427   8.264
   67    HG3  LYS   9           HG3      LYS   9  13.618 -13.750   8.774
   68    HD2  LYS   9           HD2      LYS   9  11.072 -13.682   8.996
   69    HD3  LYS   9           HD3      LYS   9  11.135 -15.442   8.878
   70    HE2  LYS   9           HE2      LYS   9  12.811 -13.940  10.863
   71    HE3  LYS   9           HE3      LYS   9  11.141 -14.378  11.217
   72    HZ1  LYS   9           HZ1      LYS   9  12.236 -16.685  10.282
   73    HZ2  LYS   9           HZ2      LYS   9  11.978 -16.303  11.909
   74    HZ3  LYS   9           HZ3      LYS   9  13.488 -16.018  11.203
   75    H    THR  10           H        THR  10  14.456 -12.061   5.362
   76    HA   THR  10           HA       THR  10  16.413 -11.518   7.265
   77    HB   THR  10           HB       THR  10  16.628 -10.079   4.677
   78    HG1  THR  10           HG1      THR  10  16.350 -12.899   4.918
   79   HG21  THR  10          HG21      THR  10  18.424 -11.989   6.178
   80   HG22  THR  10          HG22      THR  10  18.533 -10.229   6.186
   81   HG23  THR  10          HG23      THR  10  18.857 -11.126   4.703
   82    H    ILE  11           H        ILE  11  14.510  -9.203   5.334
   83    HA   ILE  11           HA       ILE  11  15.539  -6.853   6.381
   84    HB   ILE  11           HB       ILE  11  12.677  -7.332   5.542
   85   HG12  ILE  11          HG12      ILE  11  14.956  -6.276   3.865
   86   HG13  ILE  11          HG13      ILE  11  14.477  -7.970   3.874
   87   HG21  ILE  11          HG21      ILE  11  12.930  -5.255   6.758
   88   HG22  ILE  11          HG22      ILE  11  14.294  -4.796   5.740
   89   HG23  ILE  11          HG23      ILE  11  12.678  -4.920   5.045
   90   HD11  ILE  11          HD11      ILE  11  12.454  -5.858   3.293
   91   HD12  ILE  11          HD12      ILE  11  13.578  -6.383   2.039
   92   HD13  ILE  11          HD13      ILE  11  12.490  -7.549   2.793
   93    H    ILE  12           H        ILE  12  12.653  -8.635   7.477
   94    HA   ILE  12           HA       ILE  12  11.940  -7.011   9.601
   95    HB   ILE  12           HB       ILE  12  11.718 -10.021   9.474
   96   HG12  ILE  12          HG12      ILE  12  10.685  -8.857   7.550
   97   HG13  ILE  12          HG13      ILE  12   9.486  -9.635   8.578
   98   HG21  ILE  12          HG21      ILE  12   9.803  -9.667  11.027
   99   HG22  ILE  12          HG22      ILE  12  11.375  -9.281  11.725
  100   HG23  ILE  12          HG23      ILE  12  10.307  -7.984  11.187
  101   HD11  ILE  12          HD11      ILE  12   8.977  -7.479   9.605
  102   HD12  ILE  12          HD12      ILE  12  10.170  -6.705   8.562
  103   HD13  ILE  12          HD13      ILE  12   8.734  -7.449   7.859
  104    H    GLY  13           H        GLY  13  14.217  -9.738   9.566
  105    HA2  GLY  13           HA2      GLY  13  14.821  -9.902  12.256
  106    HA3  GLY  13           HA3      GLY  13  15.967 -10.243  10.967
  107    H    VAL  14           H        VAL  14  16.818  -8.111   9.904
  108    HA   VAL  14           HA       VAL  14  18.459  -6.823  11.702
  109    HB   VAL  14           HB       VAL  14  17.435  -5.681   9.099
  110   HG11  VAL  14          HG11      VAL  14  19.362  -4.738  11.076
  111   HG12  VAL  14          HG12      VAL  14  20.015  -4.819   9.439
  112   HG13  VAL  14          HG13      VAL  14  18.565  -3.869   9.766
  113   HG21  VAL  14          HG21      VAL  14  19.627  -7.617   9.751
  114   HG22  VAL  14          HG22      VAL  14  18.374  -7.731   8.515
  115   HG23  VAL  14          HG23      VAL  14  19.712  -6.600   8.312
  116    H    SER  15           H        SER  15  15.300  -5.770  10.489
  117    HA   SER  15           HA       SER  15  15.167  -3.240  11.571
  118    HB2  SER  15           HB2      SER  15  12.871  -5.209  11.473
  119    HB3  SER  15           HB3      SER  15  12.754  -3.450  11.483
  120    HG   SER  15           HG       SER  15  13.477  -5.180   9.420
  121    H    VAL  16           H        VAL  16  14.305  -6.314  13.129
  122    HA   VAL  16           HA       VAL  16  13.494  -5.207  15.590
  123    HB   VAL  16           HB       VAL  16  14.705  -7.946  15.245
  124   HG11  VAL  16          HG11      VAL  16  13.115  -6.568  17.313
  125   HG12  VAL  16          HG12      VAL  16  12.655  -8.235  16.962
  126   HG13  VAL  16          HG13      VAL  16  14.304  -7.862  17.466
  127   HG21  VAL  16          HG21      VAL  16  12.255  -6.832  14.113
  128   HG22  VAL  16          HG22      VAL  16  13.119  -8.315  13.707
  129   HG23  VAL  16          HG23      VAL  16  11.992  -8.294  15.064
  130    H    LEU  17           H        LEU  17  16.614  -6.483  14.488
  131    HA   LEU  17           HA       LEU  17  18.003  -6.293  16.900
  132    HB2  LEU  17           HB2      LEU  17  18.840  -6.184  14.027
  133    HB3  LEU  17           HB3      LEU  17  20.021  -5.949  15.315
  134    HG   LEU  17           HG       LEU  17  18.287  -8.397  15.219
  135   HD11  LEU  17          HD11      LEU  17  20.564  -7.689  13.486
  136   HD12  LEU  17          HD12      LEU  17  19.243  -8.827  13.223
  137   HD13  LEU  17          HD13      LEU  17  20.618  -9.289  14.226
  138   HD21  LEU  17          HD21      LEU  17  20.994  -8.684  16.163
  139   HD22  LEU  17          HD22      LEU  17  19.473  -9.023  16.990
  140   HD23  LEU  17          HD23      LEU  17  20.157  -7.398  17.032
  141    H    SER  18           H        SER  18  17.358  -3.874  14.422
  142    HA   SER  18           HA       SER  18  19.057  -1.878  15.551
  143    HB2  SER  18           HB2      SER  18  18.573  -1.646  13.239
  144    HB3  SER  18           HB3      SER  18  16.837  -1.791  13.509
  145    HG   SER  18           HG       SER  18  18.508   0.400  13.806
  146    H    VAL  19           H        VAL  19  15.706  -2.799  15.951
  147    HA   VAL  19           HA       VAL  19  14.806  -0.477  17.280
  148    HB   VAL  19           HB       VAL  19  13.801  -3.318  17.499
  149   HG11  VAL  19          HG11      VAL  19  11.655  -1.794  18.043
  150   HG12  VAL  19          HG12      VAL  19  12.723  -2.449  19.286
  151   HG13  VAL  19          HG13      VAL  19  12.925  -0.785  18.736
  152   HG21  VAL  19          HG21      VAL  19  12.656  -3.003  15.600
  153   HG22  VAL  19          HG22      VAL  19  12.220  -1.348  16.027
  154   HG23  VAL  19          HG23      VAL  19  13.791  -1.686  15.302
  155    H    LEU  20           H        LEU  20  15.812  -3.637  18.594
  156    HA   LEU  20           HA       LEU  20  15.660  -2.912  21.297
  157    HB2  LEU  20           HB2      LEU  20  17.259  -4.834  21.631
  158    HB3  LEU  20           HB3      LEU  20  15.751  -5.205  20.797
  159    HG   LEU  20           HG       LEU  20  17.426  -4.704  18.704
  160   HD11  LEU  20          HD11      LEU  20  19.223  -4.686  20.650
  161   HD12  LEU  20          HD12      LEU  20  19.565  -5.383  19.068
  162   HD13  LEU  20          HD13      LEU  20  19.125  -6.431  20.416
  163   HD21  LEU  20          HD21      LEU  20  17.647  -7.284  18.710
  164   HD22  LEU  20          HD22      LEU  20  16.044  -6.559  18.584
  165   HD23  LEU  20          HD23      LEU  20  16.602  -7.203  20.128
  166    H    VAL  21           H        VAL  21  18.450  -2.967  19.090
  167    HA   VAL  21           HA       VAL  21  20.451  -2.189  20.804
  168    HB   VAL  21           HB       VAL  21  20.012  -1.533  17.901
  169   HG11  VAL  21          HG11      VAL  21  22.232  -0.661  19.714
  170   HG12  VAL  21          HG12      VAL  21  22.516  -0.925  17.993
  171   HG13  VAL  21          HG13      VAL  21  21.338   0.277  18.519
  172   HG21  VAL  21          HG21      VAL  21  22.339  -3.098  18.682
  173   HG22  VAL  21          HG22      VAL  21  20.817  -3.832  19.188
  174   HG23  VAL  21          HG23      VAL  21  21.088  -3.448  17.488
  175    H    VAL  22           H        VAL  22  18.462   0.012  18.820
  176    HA   VAL  22           HA       VAL  22  19.446   2.411  19.811
  177    HB   VAL  22           HB       VAL  22  16.646   1.802  18.854
  178   HG11  VAL  22          HG11      VAL  22  18.031   4.366  19.534
  179   HG12  VAL  22          HG12      VAL  22  16.779   4.329  18.290
  180   HG13  VAL  22          HG13      VAL  22  16.399   3.834  19.940
  181   HG21  VAL  22          HG21      VAL  22  17.350   2.168  16.716
  182   HG22  VAL  22          HG22      VAL  22  18.658   3.243  17.210
  183   HG23  VAL  22          HG23      VAL  22  18.836   1.498  17.391
  184    H    SER  23           H        SER  23  16.545   0.637  20.884
  185    HA   SER  23           HA       SER  23  15.754   2.309  22.933
  186    HB2  SER  23           HB2      SER  23  14.473   0.335  22.118
  187    HB3  SER  23           HB3      SER  23  15.608  -0.715  22.966
  188    HG   SER  23           HG       SER  23  13.861   1.209  24.103
  189    H    VAL  24           H        VAL  24  17.946  -0.488  23.160
  190    HA   VAL  24           HA       VAL  24  18.527  -0.398  25.854
  191    HB   VAL  24           HB       VAL  24  20.434  -1.068  23.607
  192   HG11  VAL  24          HG11      VAL  24  21.953  -1.115  25.253
  193   HG12  VAL  24          HG12      VAL  24  20.723  -1.073  26.518
  194   HG13  VAL  24          HG13      VAL  24  21.149  -2.603  25.751
  195   HG21  VAL  24          HG21      VAL  24  18.073  -2.343  24.447
  196   HG22  VAL  24          HG22      VAL  24  19.293  -2.956  23.331
  197   HG23  VAL  24          HG23      VAL  24  19.410  -3.322  25.052
  198    H    VAL  25           H        VAL  25  20.327   1.229  23.240
  199    HA   VAL  25           HA       VAL  25  22.226   2.534  24.754
  200    HB   VAL  25           HB       VAL  25  20.833   3.574  22.282
  201   HG11  VAL  25          HG11      VAL  25  23.389   4.431  23.628
  202   HG12  VAL  25          HG12      VAL  25  22.936   4.891  21.986
  203   HG13  VAL  25          HG13      VAL  25  21.943   5.401  23.352
  204   HG21  VAL  25          HG21      VAL  25  22.160   1.292  22.377
  205   HG22  VAL  25          HG22      VAL  25  22.311   2.388  21.003
  206   HG23  VAL  25          HG23      VAL  25  23.551   2.369  22.257
  207    H    ALA  26           H        ALA  26  19.074   3.859  23.732
  208    HA   ALA  26           HA       ALA  26  19.188   6.292  25.023
  209    HB1  ALA  26           HB1      ALA  26  17.234   4.800  23.679
  210    HB2  ALA  26           HB2      ALA  26  16.531   5.226  25.240
  211    HB3  ALA  26           HB3      ALA  26  17.146   6.490  24.176
  212    H    VAL  27           H        VAL  27  18.473   3.125  26.350
  213    HA   VAL  27           HA       VAL  27  17.558   4.086  28.885
  214    HB   VAL  27           HB       VAL  27  18.565   1.343  28.116
  215   HG11  VAL  27          HG11      VAL  27  17.012   2.262  30.533
  216   HG12  VAL  27          HG12      VAL  27  17.360   0.582  30.121
  217   HG13  VAL  27          HG13      VAL  27  18.678   1.685  30.516
  218   HG21  VAL  27          HG21      VAL  27  16.628   1.049  27.074
  219   HG22  VAL  27          HG22      VAL  27  15.760   1.438  28.558
  220   HG23  VAL  27          HG23      VAL  27  16.183   2.719  27.423
  221    H    LEU  28           H        LEU  28  20.598   2.631  27.745
  222    HA   LEU  28           HA       LEU  28  22.008   2.584  30.113
  223    HB2  LEU  28           HB2      LEU  28  22.822   2.961  27.263
  224    HB3  LEU  28           HB3      LEU  28  24.028   3.079  28.543
  225    HG   LEU  28           HG       LEU  28  22.285   0.657  28.383
  226   HD11  LEU  28          HD11      LEU  28  24.106  -0.365  26.963
  227   HD12  LEU  28          HD12      LEU  28  24.640   1.281  26.621
  228   HD13  LEU  28          HD13      LEU  28  23.024   0.762  26.143
  229   HD21  LEU  28          HD21      LEU  28  25.176   0.577  28.995
  230   HD22  LEU  28          HD22      LEU  28  23.830  -0.283  29.744
  231   HD23  LEU  28          HD23      LEU  28  24.143   1.402  30.163
  232    H    VAL  29           H        VAL  29  21.670   5.271  27.822
  233    HA   VAL  29           HA       VAL  29  23.343   7.065  29.245
  234    HB   VAL  29           HB       VAL  29  21.099   7.785  27.357
  235   HG11  VAL  29          HG11      VAL  29  23.625   9.263  28.087
  236   HG12  VAL  29          HG12      VAL  29  22.382   9.809  26.960
  237   HG13  VAL  29          HG13      VAL  29  22.008   9.647  28.676
  238   HG21  VAL  29          HG21      VAL  29  22.722   7.700  25.568
  239   HG22  VAL  29          HG22      VAL  29  23.991   7.229  26.698
  240   HG23  VAL  29          HG23      VAL  29  22.649   6.131  26.371
  241    H    TYR  30           H        TYR  30  19.810   6.684  29.100
  242    HA   TYR  30           HA       TYR  30  19.019   8.770  30.701
  243    HB2  TYR  30           HB2      TYR  30  17.817   6.477  29.635
  244    HB3  TYR  30           HB3      TYR  30  17.513   6.387  31.367
  245    HD1  TYR  30           HD1      TYR  30  15.615   7.421  32.174
  246    HD2  TYR  30           HD2      TYR  30  17.378   8.891  28.592
  247    HE1  TYR  30           HE1      TYR  30  13.774   9.034  31.938
  248    HE2  TYR  30           HE2      TYR  30  15.542  10.510  28.346
  249    HH   TYR  30           HH       TYR  30  13.780  11.466  29.380
  250    H    LYS  31           H        LYS  31  20.349   5.661  31.670
  251    HA   LYS  31           HA       LYS  31  19.985   6.235  34.490
  252    HB2  LYS  31           HB2      LYS  31  21.651   3.966  33.473
  253    HB3  LYS  31           HB3      LYS  31  20.626   4.042  34.900
  254    HG2  LYS  31           HG2      LYS  31  19.081   4.364  32.482
  255    HG3  LYS  31           HG3      LYS  31  20.018   2.868  32.461
  256    HD2  LYS  31           HD2      LYS  31  18.986   2.992  35.034
  257    HD3  LYS  31           HD3      LYS  31  17.667   3.564  34.010
  258    HE2  LYS  31           HE2      LYS  31  17.572   1.141  34.328
  259    HE3  LYS  31           HE3      LYS  31  17.845   1.560  32.638
  260    HZ1  LYS  31           HZ1      LYS  31  20.258   1.169  34.169
  261    HZ2  LYS  31           HZ2      LYS  31  19.839   0.579  32.640
  262    HZ3  LYS  31           HZ3      LYS  31  19.301  -0.220  34.031
  263    H    PHE  32           H        PHE  32  22.769   5.579  32.357
  264    HA   PHE  32           HA       PHE  32  24.808   6.115  34.127
  265    HB2  PHE  32           HB2      PHE  32  24.543   6.351  31.161
  266    HB3  PHE  32           HB3      PHE  32  25.986   7.004  31.931
  267    HD1  PHE  32           HD1      PHE  32  27.732   5.580  31.461
  268    HD2  PHE  32           HD2      PHE  32  23.985   3.944  32.647
  269    HE1  PHE  32           HE1      PHE  32  28.729   3.331  31.499
  270    HE2  PHE  32           HE2      PHE  32  24.977   1.693  32.687
  271    HZ   PHE  32           HZ       PHE  32  27.352   1.384  32.114
  272    H    TYR  33           H        TYR  33  22.603   8.320  32.652
  273    HA   TYR  33           HA       TYR  33  24.186  10.607  33.616
  274    HB2  TYR  33           HB2      TYR  33  22.073  10.382  31.479
  275    HB3  TYR  33           HB3      TYR  33  22.574  11.935  32.137
  276    HD1  TYR  33           HD1      TYR  33  24.133  13.088  30.900
  277    HD2  TYR  33           HD2      TYR  33  24.208   8.835  30.820
  278    HE1  TYR  33           HE1      TYR  33  26.012  13.157  29.314
  279    HE2  TYR  33           HE2      TYR  33  26.088   8.892  29.234
  280    HH   TYR  33           HH       TYR  33  27.588  10.184  28.203
  281    H    PHE  34           H        PHE  34  20.794   9.545  33.319
  282    HA   PHE  34           HA       PHE  34  20.183  11.103  35.740
  283    HB2  PHE  34           HB2      PHE  34  18.173  10.059  33.746
  284    HB3  PHE  34           HB3      PHE  34  17.930  11.286  34.985
  285    HD1  PHE  34           HD1      PHE  34  18.486  13.557  34.597
  286    HD2  PHE  34           HD2      PHE  34  19.520  10.576  31.740
  287    HE1  PHE  34           HE1      PHE  34  19.027  15.315  32.963
  288    HE2  PHE  34           HE2      PHE  34  20.063  12.329  30.102
  289    HZ   PHE  34           HZ       PHE  34  19.818  14.703  30.713
  290    H    HIS  35           H        HIS  35  21.407   8.761  36.253
  291    HA   HIS  35           HA       HIS  35  19.967   6.427  36.430
  292    HB2  HIS  35           HB2      HIS  35  22.409   7.217  37.304
  293    HB3  HIS  35           HB3      HIS  35  21.553   7.084  38.837
  294    HD1  HIS  35           HD1      HIS  35  23.806   5.159  38.370
  295    HD2  HIS  35           HD2      HIS  35  19.899   4.357  37.209
  296    HE1  HIS  35           HE1      HIS  35  23.655   2.654  38.204
  Start of MODEL    4
    1    H1   MET   1           H        MET   1   9.802  -2.274   0.980
    2    HA   MET   1           HA       MET   1  10.235  -5.038   1.751
    3    HB2  MET   1           HB2      MET   1   9.776  -3.422   3.506
    4    HB3  MET   1           HB3      MET   1   8.264  -2.967   2.733
    5    HG2  MET   1           HG2      MET   1   7.239  -4.479   3.971
    6    HG3  MET   1           HG3      MET   1   8.116  -5.732   3.095
    7    HE1  MET   1           HE1      MET   1   7.523  -4.136   6.590
    8    HE2  MET   1           HE2      MET   1   6.890  -5.691   6.051
    9    HE3  MET   1           HE3      MET   1   8.076  -5.625   7.356
   10    H    ASN   2           H        ASN   2   7.204  -3.294   1.084
   11    HA   ASN   2           HA       ASN   2   6.408  -5.487  -0.704
   12    HB2  ASN   2           HB2      ASN   2   5.389  -5.831   1.534
   13    HB3  ASN   2           HB3      ASN   2   4.626  -4.249   1.406
   14   HD21  ASN   2          HD21      ASN   2   2.690  -5.589   1.755
   15   HD22  ASN   2          HD22      ASN   2   1.922  -6.286   0.372
   16    H    ILE   3           H        ILE   3   7.380  -3.298  -1.821
   17    HA   ILE   3           HA       ILE   3   5.819  -1.064  -2.212
   18    HB   ILE   3           HB       ILE   3   7.470  -2.470  -4.315
   19   HG12  ILE   3          HG12      ILE   3   8.229  -0.279  -2.372
   20   HG13  ILE   3          HG13      ILE   3   8.729  -1.962  -2.252
   21   HG21  ILE   3          HG21      ILE   3   7.620  -0.281  -5.379
   22   HG22  ILE   3          HG22      ILE   3   5.943  -0.811  -5.254
   23   HG23  ILE   3          HG23      ILE   3   6.570   0.402  -4.138
   24   HD11  ILE   3          HD11      ILE   3   9.688  -1.548  -4.637
   25   HD12  ILE   3          HD12      ILE   3   9.615   0.147  -4.154
   26   HD13  ILE   3          HD13      ILE   3  10.569  -0.999  -3.212
   27    H    THR   4           H        THR   4   5.816  -3.988  -4.259
   28    HA   THR   4           HA       THR   4   3.061  -3.301  -5.057
   29    HB   THR   4           HB       THR   4   3.826  -4.933  -7.063
   30    HG1  THR   4           HG1      THR   4   6.156  -3.400  -6.487
   31   HG21  THR   4          HG21      THR   4   4.248  -1.950  -6.869
   32   HG22  THR   4          HG22      THR   4   2.793  -2.787  -7.411
   33   HG23  THR   4          HG23      THR   4   4.265  -2.861  -8.379
   34    H    SER   5           H        SER   5   5.268  -5.772  -3.980
   35    HA   SER   5           HA       SER   5   3.166  -7.398  -2.983
   36    HB2  SER   5           HB2      SER   5   3.692  -7.831  -5.677
   37    HB3  SER   5           HB3      SER   5   4.600  -9.104  -4.863
   38    HG   SER   5           HG       SER   5   2.064  -9.127  -5.378
   39    H    GLN   6           H        GLN   6   4.364  -9.822  -2.730
   40    HA   GLN   6           HA       GLN   6   5.800 -10.913  -1.336
   41    HB2  GLN   6           HB2      GLN   6   7.858  -9.103  -2.607
   42    HB3  GLN   6           HB3      GLN   6   8.157 -10.656  -1.839
   43    HG2  GLN   6           HG2      GLN   6   7.544 -11.818  -3.651
   44    HG3  GLN   6           HG3      GLN   6   6.208 -10.731  -4.024
   45   HE21  GLN   6          HE21      GLN   6   6.630 -10.545  -6.180
   46   HE22  GLN   6          HE22      GLN   6   8.030  -9.755  -6.812
   47    H    MET   7           H        MET   7   8.040 -10.251   0.054
   48    HA   MET   7           HA       MET   7   7.666  -7.765   1.467
   49    HB2  MET   7           HB2      MET   7   6.754 -10.365   2.581
   50    HB3  MET   7           HB3      MET   7   7.596  -9.275   3.675
   51    HG2  MET   7           HG2      MET   7   5.888  -7.528   2.669
   52    HG3  MET   7           HG3      MET   7   4.951  -8.990   2.369
   53    HE1  MET   7           HE1      MET   7   4.126  -6.627   3.786
   54    HE2  MET   7           HE2      MET   7   3.397  -7.110   5.318
   55    HE3  MET   7           HE3      MET   7   4.946  -6.265   5.305
   56    H    ASN   8           H        ASN   8   9.204  -7.793   3.489
   57    HA   ASN   8           HA       ASN   8  11.623  -9.344   2.908
   58    HB2  ASN   8           HB2      ASN   8  11.541  -6.871   1.964
   59    HB3  ASN   8           HB3      ASN   8  11.948  -6.463   3.628
   60   HD21  ASN   8          HD21      ASN   8  13.458  -6.283   1.068
   61   HD22  ASN   8          HD22      ASN   8  14.948  -7.102   1.374
   62    H    LYS   9           H        LYS   9  11.870 -10.501   4.708
   63    HA   LYS   9           HA       LYS   9  11.024  -9.571   7.282
   64    HB2  LYS   9           HB2      LYS   9  10.976 -11.964   6.599
   65    HB3  LYS   9           HB3      LYS   9  12.734 -11.968   6.596
   66    HG2  LYS   9           HG2      LYS   9  12.190 -12.896   8.648
   67    HG3  LYS   9           HG3      LYS   9  12.539 -11.211   9.041
   68    HD2  LYS   9           HD2      LYS   9  10.574 -11.510  10.188
   69    HD3  LYS   9           HD3      LYS   9   9.956 -10.921   8.643
   70    HE2  LYS   9           HE2      LYS   9  10.324 -13.855   9.071
   71    HE3  LYS   9           HE3      LYS   9   8.918 -13.044   9.760
   72    HZ1  LYS   9           HZ1      LYS   9   9.389 -13.828   7.077
   73    HZ2  LYS   9           HZ2      LYS   9   9.089 -12.166   7.154
   74    HZ3  LYS   9           HZ3      LYS   9   7.964 -13.259   7.787
   75    H    THR  10           H        THR  10  14.033  -9.671   5.519
   76    HA   THR  10           HA       THR  10  15.867  -9.369   7.588
   77    HB   THR  10           HB       THR  10  16.365  -7.798   5.118
   78    HG1  THR  10           HG1      THR  10  15.808  -9.390   3.852
   79   HG21  THR  10          HG21      THR  10  18.150  -8.140   6.722
   80   HG22  THR  10          HG22      THR  10  18.516  -9.020   5.238
   81   HG23  THR  10          HG23      THR  10  17.916  -9.886   6.652
   82    H    ILE  11           H        ILE  11  14.148  -6.860   5.743
   83    HA   ILE  11           HA       ILE  11  15.267  -4.619   6.938
   84    HB   ILE  11           HB       ILE  11  12.409  -4.915   6.006
   85   HG12  ILE  11          HG12      ILE  11  14.078  -5.564   4.293
   86   HG13  ILE  11          HG13      ILE  11  13.199  -4.104   3.852
   87   HG21  ILE  11          HG21      ILE  11  12.504  -2.492   5.665
   88   HG22  ILE  11          HG22      ILE  11  12.760  -2.921   7.356
   89   HG23  ILE  11          HG23      ILE  11  14.131  -2.463   6.345
   90   HD11  ILE  11          HD11      ILE  11  15.065  -2.912   3.745
   91   HD12  ILE  11          HD12      ILE  11  15.631  -3.512   5.304
   92   HD13  ILE  11          HD13      ILE  11  15.932  -4.445   3.839
   93    H    ILE  12           H        ILE  12  12.503  -6.574   7.975
   94    HA   ILE  12           HA       ILE  12  11.691  -4.970  10.128
   95    HB   ILE  12           HB       ILE  12  11.479  -7.977   9.956
   96   HG12  ILE  12          HG12      ILE  12   9.612  -5.838   8.909
   97   HG13  ILE  12          HG13      ILE  12  10.590  -6.925   7.929
   98   HG21  ILE  12          HG21      ILE  12  10.997  -6.972  12.164
   99   HG22  ILE  12          HG22      ILE  12   9.751  -5.980  11.409
  100   HG23  ILE  12          HG23      ILE  12   9.587  -7.736  11.432
  101   HD11  ILE  12          HD11      ILE  12   8.048  -7.398   9.320
  102   HD12  ILE  12          HD12      ILE  12   8.686  -8.104   7.834
  103   HD13  ILE  12          HD13      ILE  12   9.222  -8.712   9.400
  104    H    GLY  13           H        GLY  13  13.920  -7.742  10.024
  105    HA2  GLY  13           HA2      GLY  13  14.502  -7.991  12.709
  106    HA3  GLY  13           HA3      GLY  13  15.651  -8.321  11.420
  107    H    VAL  14           H        VAL  14  16.558  -6.180  10.424
  108    HA   VAL  14           HA       VAL  14  18.211  -4.980  12.272
  109    HB   VAL  14           HB       VAL  14  17.240  -3.750   9.689
  110   HG11  VAL  14          HG11      VAL  14  19.282  -2.973  11.673
  111   HG12  VAL  14          HG12      VAL  14  19.761  -2.868   9.978
  112   HG13  VAL  14          HG13      VAL  14  18.349  -1.980  10.554
  113   HG21  VAL  14          HG21      VAL  14  19.152  -5.910  10.307
  114   HG22  VAL  14          HG22      VAL  14  18.199  -5.619   8.852
  115   HG23  VAL  14          HG23      VAL  14  19.687  -4.714   9.127
  116    H    SER  15           H        SER  15  15.076  -3.847  11.079
  117    HA   SER  15           HA       SER  15  14.984  -1.333  12.205
  118    HB2  SER  15           HB2      SER  15  13.248  -2.479  10.715
  119    HB3  SER  15           HB3      SER  15  12.601  -3.186  12.195
  120    HG   SER  15           HG       SER  15  12.259  -1.079  12.976
  121    H    VAL  16           H        VAL  16  13.932  -4.388  13.703
  122    HA   VAL  16           HA       VAL  16  13.207  -3.305  16.188
  123    HB   VAL  16           HB       VAL  16  14.302  -6.085  15.783
  124   HG11  VAL  16          HG11      VAL  16  13.466  -4.819  18.059
  125   HG12  VAL  16          HG12      VAL  16  12.004  -5.656  17.537
  126   HG13  VAL  16          HG13      VAL  16  13.490  -6.565  17.814
  127   HG21  VAL  16          HG21      VAL  16  11.621  -6.392  15.590
  128   HG22  VAL  16          HG22      VAL  16  11.834  -4.847  14.766
  129   HG23  VAL  16          HG23      VAL  16  12.705  -6.273  14.204
  130    H    LEU  17           H        LEU  17  16.283  -4.601  15.015
  131    HA   LEU  17           HA       LEU  17  17.705  -4.609  17.405
  132    HB2  LEU  17           HB2      LEU  17  18.625  -4.085  14.587
  133    HB3  LEU  17           HB3      LEU  17  19.724  -4.296  15.948
  134    HG   LEU  17           HG       LEU  17  17.740  -6.408  15.140
  135   HD11  LEU  17          HD11      LEU  17  19.043  -7.165  13.490
  136   HD12  LEU  17          HD12      LEU  17  20.528  -6.832  14.380
  137   HD13  LEU  17          HD13      LEU  17  19.730  -5.541  13.482
  138   HD21  LEU  17          HD21      LEU  17  20.296  -6.471  16.741
  139   HD22  LEU  17          HD22      LEU  17  19.302  -7.872  16.340
  140   HD23  LEU  17          HD23      LEU  17  18.657  -6.601  17.381
  141    H    SER  18           H        SER  18  17.765  -2.057  14.909
  142    HA   SER  18           HA       SER  18  19.249  -0.183  16.281
  143    HB2  SER  18           HB2      SER  18  18.608   0.064  13.920
  144    HB3  SER  18           HB3      SER  18  16.935   0.348  14.400
  145    HG   SER  18           HG       SER  18  19.198   1.979  14.862
  146    H    VAL  19           H        VAL  19  15.761  -0.759  16.426
  147    HA   VAL  19           HA       VAL  19  14.978   1.400  17.972
  148    HB   VAL  19           HB       VAL  19  13.912  -1.425  18.020
  149   HG11  VAL  19          HG11      VAL  19  13.117   1.009  19.490
  150   HG12  VAL  19          HG12      VAL  19  11.812   0.077  18.755
  151   HG13  VAL  19          HG13      VAL  19  12.905  -0.691  19.907
  152   HG21  VAL  19          HG21      VAL  19  12.884  -0.940  16.109
  153   HG22  VAL  19          HG22      VAL  19  12.228   0.552  16.782
  154   HG23  VAL  19          HG23      VAL  19  13.826   0.549  16.036
  155    H    LEU  20           H        LEU  20  15.841  -1.854  19.158
  156    HA   LEU  20           HA       LEU  20  15.783  -1.164  21.888
  157    HB2  LEU  20           HB2      LEU  20  17.284  -3.371  20.486
  158    HB3  LEU  20           HB3      LEU  20  17.048  -3.255  22.228
  159    HG   LEU  20           HG       LEU  20  15.007  -3.847  20.103
  160   HD11  LEU  20          HD11      LEU  20  15.966  -5.837  20.779
  161   HD12  LEU  20          HD12      LEU  20  14.577  -5.706  21.857
  162   HD13  LEU  20          HD13      LEU  20  16.187  -5.288  22.441
  163   HD21  LEU  20          HD21      LEU  20  14.537  -3.052  22.973
  164   HD22  LEU  20          HD22      LEU  20  13.328  -3.802  21.930
  165   HD23  LEU  20          HD23      LEU  20  13.975  -2.211  21.528
  166    H    VAL  21           H        VAL  21  18.359  -1.134  19.486
  167    HA   VAL  21           HA       VAL  21  20.592  -0.812  21.060
  168    HB   VAL  21           HB       VAL  21  19.953   0.515  18.425
  169   HG11  VAL  21          HG11      VAL  21  22.605   0.480  18.406
  170   HG12  VAL  21          HG12      VAL  21  21.693   1.842  19.059
  171   HG13  VAL  21          HG13      VAL  21  22.367   0.629  20.147
  172   HG21  VAL  21          HG21      VAL  21  20.439  -1.441  17.490
  173   HG22  VAL  21          HG22      VAL  21  21.971  -1.528  18.359
  174   HG23  VAL  21          HG23      VAL  21  20.499  -2.151  19.103
  175    H    VAL  22           H        VAL  22  18.512   1.796  19.799
  176    HA   VAL  22           HA       VAL  22  19.846   3.857  21.227
  177    HB   VAL  22           HB       VAL  22  17.056   3.855  20.065
  178   HG11  VAL  22          HG11      VAL  22  17.196   5.653  21.594
  179   HG12  VAL  22          HG12      VAL  22  18.830   6.067  21.071
  180   HG13  VAL  22          HG13      VAL  22  17.461   6.349  19.995
  181   HG21  VAL  22          HG21      VAL  22  18.999   5.368  18.589
  182   HG22  VAL  22          HG22      VAL  22  19.541   3.699  18.771
  183   HG23  VAL  22          HG23      VAL  22  17.970   4.042  18.047
  184    H    SER  23           H        SER  23  16.641   2.365  21.717
  185    HA   SER  23           HA       SER  23  15.939   3.646  24.058
  186    HB2  SER  23           HB2      SER  23  14.461   2.130  22.733
  187    HB3  SER  23           HB3      SER  23  15.339   0.753  23.398
  188    HG   SER  23           HG       SER  23  14.120   2.693  25.053
  189    H    VAL  24           H        VAL  24  17.355   0.373  23.888
  190    HA   VAL  24           HA       VAL  24  17.822  -0.030  26.564
  191    HB   VAL  24           HB       VAL  24  19.545  -0.919  24.248
  192   HG11  VAL  24          HG11      VAL  24  19.746  -2.786  26.292
  193   HG12  VAL  24          HG12      VAL  24  20.987  -1.637  25.786
  194   HG13  VAL  24          HG13      VAL  24  19.888  -1.228  27.105
  195   HG21  VAL  24          HG21      VAL  24  17.728  -2.767  25.672
  196   HG22  VAL  24          HG22      VAL  24  16.973  -1.552  24.640
  197   HG23  VAL  24          HG23      VAL  24  18.146  -2.680  23.960
  198    H    VAL  25           H        VAL  25  20.300   1.117  24.262
  199    HA   VAL  25           HA       VAL  25  22.291   1.743  26.043
  200    HB   VAL  25           HB       VAL  25  21.529   3.066  23.450
  201   HG11  VAL  25          HG11      VAL  25  23.848   3.690  25.264
  202   HG12  VAL  25          HG12      VAL  25  23.832   4.092  23.546
  203   HG13  VAL  25          HG13      VAL  25  22.633   4.800  24.629
  204   HG21  VAL  25          HG21      VAL  25  23.028   1.669  22.459
  205   HG22  VAL  25          HG22      VAL  25  24.065   1.589  23.883
  206   HG23  VAL  25          HG23      VAL  25  22.574   0.650  23.826
  207    H    ALA  26           H        ALA  26  19.580   3.796  25.036
  208    HA   ALA  26           HA       ALA  26  20.268   6.146  26.327
  209    HB1  ALA  26           HB1      ALA  26  17.782   4.939  25.338
  210    HB2  ALA  26           HB2      ALA  26  17.569   6.148  26.605
  211    HB3  ALA  26           HB3      ALA  26  18.422   6.568  25.119
  212    H    VAL  27           H        VAL  27  18.525   3.336  27.613
  213    HA   VAL  27           HA       VAL  27  18.078   4.459  30.187
  214    HB   VAL  27           HB       VAL  27  18.123   1.555  29.350
  215   HG11  VAL  27          HG11      VAL  27  16.439   1.636  31.436
  216   HG12  VAL  27          HG12      VAL  27  18.161   1.287  31.596
  217   HG13  VAL  27          HG13      VAL  27  17.557   2.914  31.911
  218   HG21  VAL  27          HG21      VAL  27  15.506   2.435  29.835
  219   HG22  VAL  27          HG22      VAL  27  16.260   3.684  28.843
  220   HG23  VAL  27          HG23      VAL  27  16.227   2.012  28.282
  221    H    LEU  28           H        LEU  28  20.542   2.282  28.867
  222    HA   LEU  28           HA       LEU  28  21.886   1.579  31.165
  223    HB2  LEU  28           HB2      LEU  28  22.722   2.008  28.340
  224    HB3  LEU  28           HB3      LEU  28  23.967   1.748  29.560
  225    HG   LEU  28           HG       LEU  28  21.707  -0.193  29.323
  226   HD11  LEU  28          HD11      LEU  28  23.367  -1.467  27.792
  227   HD12  LEU  28          HD12      LEU  28  23.997   0.140  27.432
  228   HD13  LEU  28          HD13      LEU  28  22.309  -0.241  27.094
  229   HD21  LEU  28          HD21      LEU  28  23.165  -0.474  31.198
  230   HD22  LEU  28          HD22      LEU  28  24.595  -0.348  30.173
  231   HD23  LEU  28          HD23      LEU  28  23.527  -1.745  30.030
  232    H    VAL  29           H        VAL  29  22.611   4.385  29.085
  233    HA   VAL  29           HA       VAL  29  24.562   5.490  30.797
  234    HB   VAL  29           HB       VAL  29  22.854   7.055  28.868
  235   HG11  VAL  29          HG11      VAL  29  24.844   8.458  28.664
  236   HG12  VAL  29          HG12      VAL  29  24.290   8.376  30.338
  237   HG13  VAL  29          HG13      VAL  29  25.690   7.434  29.824
  238   HG21  VAL  29          HG21      VAL  29  24.896   6.529  27.325
  239   HG22  VAL  29          HG22      VAL  29  25.069   5.117  28.367
  240   HG23  VAL  29          HG23      VAL  29  23.574   5.371  27.468
  241    H    TYR  30           H        TYR  30  21.079   5.975  30.528
  242    HA   TYR  30           HA       TYR  30  20.729   8.207  32.106
  243    HB2  TYR  30           HB2      TYR  30  19.071   6.299  30.955
  244    HB3  TYR  30           HB3      TYR  30  18.725   6.171  32.676
  245    HD1  TYR  30           HD1      TYR  30  17.222   7.649  33.655
  246    HD2  TYR  30           HD2      TYR  30  19.028   8.695  29.948
  247    HE1  TYR  30           HE1      TYR  30  15.771   9.630  33.514
  248    HE2  TYR  30           HE2      TYR  30  17.583  10.680  29.797
  249    HH   TYR  30           HH       TYR  30  16.306  12.175  31.699
  250    H    LYS  31           H        LYS  31  21.076   4.833  33.125
  251    HA   LYS  31           HA       LYS  31  20.928   5.569  35.929
  252    HB2  LYS  31           HB2      LYS  31  21.656   2.855  34.845
  253    HB3  LYS  31           HB3      LYS  31  20.939   3.251  36.401
  254    HG2  LYS  31           HG2      LYS  31  18.845   3.764  35.397
  255    HG3  LYS  31           HG3      LYS  31  19.535   3.675  33.775
  256    HD2  LYS  31           HD2      LYS  31  18.625   1.597  33.854
  257    HD3  LYS  31           HD3      LYS  31  20.163   1.223  34.635
  258    HE2  LYS  31           HE2      LYS  31  19.173   0.760  36.583
  259    HE3  LYS  31           HE3      LYS  31  18.166   2.205  36.506
  260    HZ1  LYS  31           HZ1      LYS  31  17.628  -0.444  35.295
  261    HZ2  LYS  31           HZ2      LYS  31  16.756   0.945  34.880
  262    HZ3  LYS  31           HZ3      LYS  31  16.717   0.365  36.469
  263    H    PHE  32           H        PHE  32  23.323   4.013  33.793
  264    HA   PHE  32           HA       PHE  32  25.433   3.830  35.551
  265    HB2  PHE  32           HB2      PHE  32  25.273   4.199  32.584
  266    HB3  PHE  32           HB3      PHE  32  26.844   4.255  33.376
  267    HD1  PHE  32           HD1      PHE  32  28.004   2.301  33.122
  268    HD2  PHE  32           HD2      PHE  32  23.796   2.128  33.743
  269    HE1  PHE  32           HE1      PHE  32  28.104  -0.157  33.096
  270    HE2  PHE  32           HE2      PHE  32  23.890  -0.330  33.720
  271    HZ   PHE  32           HZ       PHE  32  26.046  -1.476  33.396
  272    H    TYR  33           H        TYR  33  24.071   6.652  34.116
  273    HA   TYR  33           HA       TYR  33  26.329   8.277  35.076
  274    HB2  TYR  33           HB2      TYR  33  25.556   8.382  32.618
  275    HB3  TYR  33           HB3      TYR  33  24.163   9.264  33.233
  276    HD1  TYR  33           HD1      TYR  33  24.889  11.228  34.955
  277    HD2  TYR  33           HD2      TYR  33  27.290   9.660  31.812
  278    HE1  TYR  33           HE1      TYR  33  26.187  13.317  34.913
  279    HE2  TYR  33           HE2      TYR  33  28.596  11.743  31.763
  280    HH   TYR  33           HH       TYR  33  29.114  13.634  33.528
  281    H    PHE  34           H        PHE  34  22.774   8.319  34.843
  282    HA   PHE  34           HA       PHE  34  22.725   9.982  37.274
  283    HB2  PHE  34           HB2      PHE  34  20.538   9.747  35.202
  284    HB3  PHE  34           HB3      PHE  34  20.623  10.894  36.536
  285    HD1  PHE  34           HD1      PHE  34  22.055   9.974  33.274
  286    HD2  PHE  34           HD2      PHE  34  21.888  12.896  36.364
  287    HE1  PHE  34           HE1      PHE  34  23.190  11.588  31.804
  288    HE2  PHE  34           HE2      PHE  34  23.022  14.515  34.899
  289    HZ   PHE  34           HZ       PHE  34  23.673  13.862  32.615
  290    H    HIS  35           H        HIS  35  23.072   7.387  37.780
  291    HA   HIS  35           HA       HIS  35  20.958   5.641  37.878
  292    HB2  HIS  35           HB2      HIS  35  23.091   4.877  38.599
  293    HB3  HIS  35           HB3      HIS  35  23.188   6.109  39.854
  294    HD1  HIS  35           HD1      HIS  35  20.482   3.526  39.137
  295    HD2  HIS  35           HD2      HIS  35  23.020   4.759  42.187
  296    HE1  HIS  35           HE1      HIS  35  19.873   2.117  41.129
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   3.885  -6.711 -14.766
    2    HA   MET   1           HA       MET   1   1.934  -8.807 -14.420
    3    HB2  MET   1           HB2      MET   1   4.870  -9.413 -14.685
    4    HB3  MET   1           HB3      MET   1   3.790 -10.463 -13.778
    5    HG2  MET   1           HG2      MET   1   2.417 -10.760 -15.793
    6    HG3  MET   1           HG3      MET   1   3.551  -9.754 -16.692
    7    HE1  MET   1           HE1      MET   1   2.901 -12.731 -14.621
    8    HE2  MET   1           HE2      MET   1   3.861 -14.028 -15.332
    9    HE3  MET   1           HE3      MET   1   4.566 -12.982 -14.098
   10    H    ASN   2           H        ASN   2   2.051  -9.758 -12.216
   11    HA   ASN   2           HA       ASN   2   2.124  -7.812 -10.248
   12    HB2  ASN   2           HB2      ASN   2   1.853  -9.577  -8.651
   13    HB3  ASN   2           HB3      ASN   2   0.988 -10.056 -10.109
   14   HD21  ASN   2          HD21      ASN   2   2.511 -11.416  -7.777
   15   HD22  ASN   2          HD22      ASN   2   3.428 -12.638  -8.585
   16    H    ILE   3           H        ILE   3   3.701  -6.837  -9.163
   17    HA   ILE   3           HA       ILE   3   6.436  -7.819  -9.478
   18    HB   ILE   3           HB       ILE   3   5.615  -5.220  -8.197
   19   HG12  ILE   3          HG12      ILE   3   6.179  -5.765 -11.120
   20   HG13  ILE   3          HG13      ILE   3   4.621  -5.316 -10.435
   21   HG21  ILE   3          HG21      ILE   3   7.797  -4.747  -8.104
   22   HG22  ILE   3          HG22      ILE   3   8.048  -6.472  -8.365
   23   HG23  ILE   3          HG23      ILE   3   8.090  -5.359  -9.731
   24   HD11  ILE   3          HD11      ILE   3   7.076  -3.645 -10.775
   25   HD12  ILE   3          HD12      ILE   3   5.431  -3.339 -11.333
   26   HD13  ILE   3          HD13      ILE   3   5.820  -3.203  -9.619
   27    H    THR   4           H        THR   4   4.588  -9.161  -7.684
   28    HA   THR   4           HA       THR   4   4.331  -9.805  -5.486
   29    HB   THR   4           HB       THR   4   6.330 -11.029  -6.193
   30    HG1  THR   4           HG1      THR   4   6.867 -11.600  -4.157
   31   HG21  THR   4          HG21      THR   4   8.571 -10.170  -5.556
   32   HG22  THR   4          HG22      THR   4   7.825  -8.630  -5.131
   33   HG23  THR   4          HG23      THR   4   7.785  -9.198  -6.800
   34    H    SER   5           H        SER   5   4.003  -7.045  -5.659
   35    HA   SER   5           HA       SER   5   5.598  -5.484  -4.002
   36    HB2  SER   5           HB2      SER   5   2.634  -5.318  -4.578
   37    HB3  SER   5           HB3      SER   5   3.528  -4.076  -3.702
   38    HG   SER   5           HG       SER   5   3.713  -3.364  -5.711
   39    H    GLN   6           H        GLN   6   6.198  -6.084  -2.016
   40    HA   GLN   6           HA       GLN   6   4.088  -6.654  -0.064
   41    HB2  GLN   6           HB2      GLN   6   5.442  -8.436   0.946
   42    HB3  GLN   6           HB3      GLN   6   5.002  -8.820  -0.713
   43    HG2  GLN   6           HG2      GLN   6   7.154  -8.550  -1.491
   44    HG3  GLN   6           HG3      GLN   6   7.625  -7.523  -0.137
   45   HE21  GLN   6          HE21      GLN   6   8.623 -10.135  -1.361
   46   HE22  GLN   6          HE22      GLN   6   8.840 -11.167   0.007
   47    H    MET   7           H        MET   7   5.469  -6.931   2.203
   48    HA   MET   7           HA       MET   7   6.737  -4.314   2.495
   49    HB2  MET   7           HB2      MET   7   5.354  -6.204   4.343
   50    HB3  MET   7           HB3      MET   7   6.550  -5.106   5.018
   51    HG2  MET   7           HG2      MET   7   4.651  -3.871   5.271
   52    HG3  MET   7           HG3      MET   7   5.202  -3.301   3.697
   53    HE1  MET   7           HE1      MET   7   1.496  -5.138   5.048
   54    HE2  MET   7           HE2      MET   7   2.452  -6.570   4.668
   55    HE3  MET   7           HE3      MET   7   3.086  -5.355   5.779
   56    H    ASN   8           H        ASN   8   8.668  -4.085   3.802
   57    HA   ASN   8           HA       ASN   8  10.521  -6.302   3.338
   58    HB2  ASN   8           HB2      ASN   8  10.860  -3.743   2.702
   59    HB3  ASN   8           HB3      ASN   8  11.446  -3.656   4.360
   60   HD21  ASN   8          HD21      ASN   8  12.904  -5.700   4.850
   61   HD22  ASN   8          HD22      ASN   8  14.174  -5.934   3.703
   62    H    LYS   9           H        LYS   9  10.759  -7.680   4.964
   63    HA   LYS   9           HA       LYS   9  10.169  -6.963   7.682
   64    HB2  LYS   9           HB2      LYS   9   9.700  -9.216   6.733
   65    HB3  LYS   9           HB3      LYS   9  11.433  -9.492   6.609
   66    HG2  LYS   9           HG2      LYS   9  10.771 -10.583   8.570
   67    HG3  LYS   9           HG3      LYS   9  11.527  -9.082   9.112
   68    HD2  LYS   9           HD2      LYS   9   9.470  -8.105   9.649
   69    HD3  LYS   9           HD3      LYS   9   8.563  -9.268   8.679
   70    HE2  LYS   9           HE2      LYS   9   9.626 -10.985  10.375
   71    HE3  LYS   9           HE3      LYS   9   9.735  -9.557  11.402
   72    HZ1  LYS   9           HZ1      LYS   9   7.350  -9.217  11.087
   73    HZ2  LYS   9           HZ2      LYS   9   7.673 -10.721  11.790
   74    HZ3  LYS   9           HZ3      LYS   9   7.261 -10.624  10.153
   75    H    THR  10           H        THR  10  13.045  -7.377   5.733
   76    HA   THR  10           HA       THR  10  14.993  -7.598   7.697
   77    HB   THR  10           HB       THR  10  15.624  -5.851   5.378
   78    HG1  THR  10           HG1      THR  10  14.577  -8.464   5.184
   79   HG21  THR  10          HG21      THR  10  17.558  -7.392   5.237
   80   HG22  THR  10          HG22      THR  10  16.896  -8.306   6.593
   81   HG23  THR  10          HG23      THR  10  17.405  -6.633   6.821
   82    H    ILE  11           H        ILE  11  13.668  -4.638   6.228
   83    HA   ILE  11           HA       ILE  11  15.194  -2.785   7.637
   84    HB   ILE  11           HB       ILE  11  12.329  -2.444   6.743
   85   HG12  ILE  11          HG12      ILE  11  13.836  -3.200   4.927
   86   HG13  ILE  11          HG13      ILE  11  13.247  -1.562   4.669
   87   HG21  ILE  11          HG21      ILE  11  12.632  -0.557   7.965
   88   HG22  ILE  11          HG22      ILE  11  14.388  -0.606   7.811
   89   HG23  ILE  11          HG23      ILE  11  13.401  -0.017   6.473
   90   HD11  ILE  11          HD11      ILE  11  15.754  -1.601   6.114
   91   HD12  ILE  11          HD12      ILE  11  15.865  -2.404   4.548
   92   HD13  ILE  11          HD13      ILE  11  15.304  -0.736   4.645
   93    H    ILE  12           H        ILE  12  12.084  -4.265   8.482
   94    HA   ILE  12           HA       ILE  12  11.591  -2.817  10.825
   95    HB   ILE  12           HB       ILE  12  10.812  -5.673  10.223
   96   HG12  ILE  12          HG12      ILE  12  10.035  -4.143   8.489
   97   HG13  ILE  12          HG13      ILE  12   8.676  -4.681   9.471
   98   HG21  ILE  12          HG21      ILE  12   9.709  -3.693  12.211
   99   HG22  ILE  12          HG22      ILE  12   8.979  -5.251  11.824
  100   HG23  ILE  12          HG23      ILE  12  10.574  -5.186  12.575
  101   HD11  ILE  12          HD11      ILE  12   8.371  -2.377   9.092
  102   HD12  ILE  12          HD12      ILE  12   8.918  -2.533  10.761
  103   HD13  ILE  12          HD13      ILE  12  10.044  -2.011   9.509
  104    H    GLY  13           H        GLY  13  13.307  -5.892  10.341
  105    HA2  GLY  13           HA2      GLY  13  13.806  -6.590  12.965
  106    HA3  GLY  13           HA3      GLY  13  14.895  -6.937  11.630
  107    H    VAL  14           H        VAL  14  16.163  -4.869  10.913
  108    HA   VAL  14           HA       VAL  14  17.977  -4.220  12.881
  109    HB   VAL  14           HB       VAL  14  17.267  -2.452  10.537
  110   HG11  VAL  14          HG11      VAL  14  19.451  -2.486  12.521
  111   HG12  VAL  14          HG12      VAL  14  19.927  -2.216  10.844
  112   HG13  VAL  14          HG13      VAL  14  18.760  -1.141  11.614
  113   HG21  VAL  14          HG21      VAL  14  18.750  -5.019  10.728
  114   HG22  VAL  14          HG22      VAL  14  17.723  -4.400   9.435
  115   HG23  VAL  14          HG23      VAL  14  19.365  -3.785   9.628
  116    H    SER  15           H        SER  15  15.103  -2.406  11.877
  117    HA   SER  15           HA       SER  15  15.429  -0.096  13.343
  118    HB2  SER  15           HB2      SER  15  13.498  -0.912  11.733
  119    HB3  SER  15           HB3      SER  15  12.713  -1.347  13.251
  120    HG   SER  15           HG       SER  15  13.806   1.219  12.761
  121    H    VAL  16           H        VAL  16  13.936  -3.142  14.408
  122    HA   VAL  16           HA       VAL  16  13.314  -2.298  17.021
  123    HB   VAL  16           HB       VAL  16  13.973  -5.133  16.236
  124   HG11  VAL  16          HG11      VAL  16  12.989  -5.769  18.156
  125   HG12  VAL  16          HG12      VAL  16  13.342  -4.118  18.669
  126   HG13  VAL  16          HG13      VAL  16  11.742  -4.527  18.049
  127   HG21  VAL  16          HG21      VAL  16  11.794  -3.396  15.343
  128   HG22  VAL  16          HG22      VAL  16  12.382  -4.917  14.670
  129   HG23  VAL  16          HG23      VAL  16  11.256  -4.930  16.028
  130    H    LEU  17           H        LEU  17  16.153  -3.954  15.694
  131    HA   LEU  17           HA       LEU  17  17.499  -4.417  18.099
  132    HB2  LEU  17           HB2      LEU  17  18.503  -3.957  15.302
  133    HB3  LEU  17           HB3      LEU  17  19.569  -4.375  16.642
  134    HG   LEU  17           HG       LEU  17  17.253  -6.151  16.013
  135   HD11  LEU  17          HD11      LEU  17  19.213  -7.354  14.628
  136   HD12  LEU  17          HD12      LEU  17  19.600  -5.667  14.295
  137   HD13  LEU  17          HD13      LEU  17  18.005  -6.301  13.892
  138   HD21  LEU  17          HD21      LEU  17  18.750  -6.411  18.026
  139   HD22  LEU  17          HD22      LEU  17  20.052  -6.808  16.903
  140   HD23  LEU  17          HD23      LEU  17  18.614  -7.827  16.984
  141    H    SER  18           H        SER  18  17.385  -1.578  16.022
  142    HA   SER  18           HA       SER  18  19.425  -0.149  17.420
  143    HB2  SER  18           HB2      SER  18  18.415   0.192  14.996
  144    HB3  SER  18           HB3      SER  18  17.319   1.278  15.850
  145    HG   SER  18           HG       SER  18  19.708   1.847  15.016
  146    H    VAL  19           H        VAL  19  15.966  -0.480  17.736
  147    HA   VAL  19           HA       VAL  19  15.506   1.770  19.391
  148    HB   VAL  19           HB       VAL  19  13.955  -0.814  19.183
  149   HG11  VAL  19          HG11      VAL  19  13.519   1.674  20.743
  150   HG12  VAL  19          HG12      VAL  19  12.114   0.913  19.993
  151   HG13  VAL  19          HG13      VAL  19  13.107   0.004  21.134
  152   HG21  VAL  19          HG21      VAL  19  13.099  -0.033  17.286
  153   HG22  VAL  19          HG22      VAL  19  12.690   1.504  18.048
  154   HG23  VAL  19          HG23      VAL  19  14.287   1.270  17.340
  155    H    LEU  20           H        LEU  20  15.872  -1.685  20.194
  156    HA   LEU  20           HA       LEU  20  15.796  -1.355  22.982
  157    HB2  LEU  20           HB2      LEU  20  16.965  -3.587  23.011
  158    HB3  LEU  20           HB3      LEU  20  15.436  -3.519  22.137
  159    HG   LEU  20           HG       LEU  20  17.245  -3.056  20.142
  160   HD11  LEU  20          HD11      LEU  20  19.175  -4.245  20.388
  161   HD12  LEU  20          HD12      LEU  20  18.482  -5.341  21.583
  162   HD13  LEU  20          HD13      LEU  20  18.948  -3.706  22.052
  163   HD21  LEU  20          HD21      LEU  20  15.449  -4.532  19.819
  164   HD22  LEU  20          HD22      LEU  20  15.954  -5.575  21.149
  165   HD23  LEU  20          HD23      LEU  20  16.893  -5.532  19.656
  166    H    VAL  21           H        VAL  21  18.566  -1.653  20.767
  167    HA   VAL  21           HA       VAL  21  20.645  -1.551  22.559
  168    HB   VAL  21           HB       VAL  21  20.413  -0.396  19.790
  169   HG11  VAL  21          HG11      VAL  21  22.630  -0.151  21.751
  170   HG12  VAL  21          HG12      VAL  21  23.046  -0.471  20.066
  171   HG13  VAL  21          HG13      VAL  21  22.108   0.962  20.487
  172   HG21  VAL  21          HG21      VAL  21  21.076  -2.407  19.080
  173   HG22  VAL  21          HG22      VAL  21  22.343  -2.516  20.303
  174   HG23  VAL  21          HG23      VAL  21  20.689  -2.979  20.703
  175    H    VAL  22           H        VAL  22  19.293   1.294  20.876
  176    HA   VAL  22           HA       VAL  22  20.683   3.261  22.216
  177    HB   VAL  22           HB       VAL  22  17.839   3.383  21.205
  178   HG11  VAL  22          HG11      VAL  22  18.882   5.913  21.017
  179   HG12  VAL  22          HG12      VAL  22  17.771   5.350  22.267
  180   HG13  VAL  22          HG13      VAL  22  19.510   5.350  22.565
  181   HG21  VAL  22          HG21      VAL  22  20.009   4.699  19.726
  182   HG22  VAL  22          HG22      VAL  22  20.090   2.937  19.755
  183   HG23  VAL  22          HG23      VAL  22  18.648   3.744  19.136
  184    H    SER  23           H        SER  23  17.456   1.996  23.053
  185    HA   SER  23           HA       SER  23  16.987   3.486  25.328
  186    HB2  SER  23           HB2      SER  23  15.457   1.785  24.134
  187    HB3  SER  23           HB3      SER  23  16.220   0.577  25.167
  188    HG   SER  23           HG       SER  23  15.603   2.129  26.930
  189    H    VAL  24           H        VAL  24  18.560   0.298  25.127
  190    HA   VAL  24           HA       VAL  24  19.094  -0.114  27.803
  191    HB   VAL  24           HB       VAL  24  20.858  -0.849  25.462
  192   HG11  VAL  24          HG11      VAL  24  22.307  -1.442  27.064
  193   HG12  VAL  24          HG12      VAL  24  21.094  -1.313  28.339
  194   HG13  VAL  24          HG13      VAL  24  21.200  -2.781  27.366
  195   HG21  VAL  24          HG21      VAL  24  19.358  -3.013  26.601
  196   HG22  VAL  24          HG22      VAL  24  18.269  -1.705  26.137
  197   HG23  VAL  24          HG23      VAL  24  19.361  -2.409  24.944
  198    H    VAL  25           H        VAL  25  21.221   1.470  25.420
  199    HA   VAL  25           HA       VAL  25  23.337   2.117  27.061
  200    HB   VAL  25           HB       VAL  25  22.196   3.782  24.812
  201   HG11  VAL  25          HG11      VAL  25  23.650   5.154  26.139
  202   HG12  VAL  25          HG12      VAL  25  24.880   3.890  26.182
  203   HG13  VAL  25          HG13      VAL  25  24.502   4.703  24.663
  204   HG21  VAL  25          HG21      VAL  25  24.639   2.182  24.433
  205   HG22  VAL  25          HG22      VAL  25  23.148   1.261  24.628
  206   HG23  VAL  25          HG23      VAL  25  23.282   2.460  23.341
  207    H    ALA  26           H        ALA  26  20.504   4.168  26.361
  208    HA   ALA  26           HA       ALA  26  21.101   6.322  27.969
  209    HB1  ALA  26           HB1      ALA  26  18.298   5.752  28.177
  210    HB2  ALA  26           HB2      ALA  26  19.117   7.009  27.250
  211    HB3  ALA  26           HB3      ALA  26  18.864   5.415  26.540
  212    H    VAL  27           H        VAL  27  19.567   3.267  28.884
  213    HA   VAL  27           HA       VAL  27  19.056   4.016  31.581
  214    HB   VAL  27           HB       VAL  27  19.302   1.254  30.382
  215   HG11  VAL  27          HG11      VAL  27  18.298   2.228  33.041
  216   HG12  VAL  27          HG12      VAL  27  17.823   0.668  32.366
  217   HG13  VAL  27          HG13      VAL  27  19.521   1.002  32.712
  218   HG21  VAL  27          HG21      VAL  27  17.438   1.854  29.298
  219   HG22  VAL  27          HG22      VAL  27  16.645   1.724  30.868
  220   HG23  VAL  27          HG23      VAL  27  17.212   3.292  30.294
  221    H    LEU  28           H        LEU  28  21.634   2.153  30.009
  222    HA   LEU  28           HA       LEU  28  23.047   1.297  32.211
  223    HB2  LEU  28           HB2      LEU  28  23.864   2.107  29.455
  224    HB3  LEU  28           HB3      LEU  28  25.096   1.696  30.646
  225    HG   LEU  28           HG       LEU  28  22.875  -0.231  30.141
  226   HD11  LEU  28          HD11      LEU  28  25.126   0.403  28.277
  227   HD12  LEU  28          HD12      LEU  28  23.433   0.073  27.915
  228   HD13  LEU  28          HD13      LEU  28  24.501  -1.241  28.405
  229   HD21  LEU  28          HD21      LEU  28  24.218  -1.695  31.191
  230   HD22  LEU  28          HD22      LEU  28  25.011  -0.246  31.809
  231   HD23  LEU  28          HD23      LEU  28  25.674  -1.084  30.406
  232    H    VAL  29           H        VAL  29  23.519   4.362  30.453
  233    HA   VAL  29           HA       VAL  29  25.457   5.394  32.230
  234    HB   VAL  29           HB       VAL  29  23.589   7.046  30.534
  235   HG11  VAL  29          HG11      VAL  29  24.955   8.317  32.083
  236   HG12  VAL  29          HG12      VAL  29  26.409   7.502  31.505
  237   HG13  VAL  29          HG13      VAL  29  25.512   8.576  30.431
  238   HG21  VAL  29          HG21      VAL  29  25.366   6.846  28.778
  239   HG22  VAL  29          HG22      VAL  29  26.078   5.546  29.735
  240   HG23  VAL  29          HG23      VAL  29  24.452   5.367  29.076
  241    H    TYR  30           H        TYR  30  21.942   5.676  32.096
  242    HA   TYR  30           HA       TYR  30  21.511   7.681  33.942
  243    HB2  TYR  30           HB2      TYR  30  19.931   5.835  32.591
  244    HB3  TYR  30           HB3      TYR  30  19.631   5.485  34.289
  245    HD1  TYR  30           HD1      TYR  30  20.124   8.617  32.298
  246    HD2  TYR  30           HD2      TYR  30  17.692   6.464  35.046
  247    HE1  TYR  30           HE1      TYR  30  18.574  10.523  32.410
  248    HE2  TYR  30           HE2      TYR  30  16.134   8.364  35.165
  249    HH   TYR  30           HH       TYR  30  16.460  11.143  33.055
  250    H    LYS  31           H        LYS  31  22.091   4.239  34.520
  251    HA   LYS  31           HA       LYS  31  21.948   4.598  37.396
  252    HB2  LYS  31           HB2      LYS  31  22.844   2.106  35.962
  253    HB3  LYS  31           HB3      LYS  31  22.135   2.245  37.565
  254    HG2  LYS  31           HG2      LYS  31  19.989   2.733  36.659
  255    HG3  LYS  31           HG3      LYS  31  20.651   2.895  35.031
  256    HD2  LYS  31           HD2      LYS  31  20.507   0.699  34.668
  257    HD3  LYS  31           HD3      LYS  31  21.311   0.329  36.196
  258    HE2  LYS  31           HE2      LYS  31  19.030  -0.609  36.054
  259    HE3  LYS  31           HE3      LYS  31  19.225   0.523  37.391
  260    HZ1  LYS  31           HZ1      LYS  31  17.318   0.604  35.393
  261    HZ2  LYS  31           HZ2      LYS  31  18.370   1.887  35.063
  262    HZ3  LYS  31           HZ3      LYS  31  17.613   1.780  36.573
  263    H    PHE  32           H        PHE  32  24.406   3.507  35.055
  264    HA   PHE  32           HA       PHE  32  26.556   3.263  36.762
  265    HB2  PHE  32           HB2      PHE  32  26.318   3.969  33.861
  266    HB3  PHE  32           HB3      PHE  32  27.895   4.039  34.640
  267    HD1  PHE  32           HD1      PHE  32  25.007   1.676  34.794
  268    HD2  PHE  32           HD2      PHE  32  29.177   2.215  34.127
  269    HE1  PHE  32           HE1      PHE  32  25.266  -0.750  34.475
  270    HE2  PHE  32           HE2      PHE  32  29.442  -0.210  33.807
  271    HZ   PHE  32           HZ       PHE  32  27.485  -1.696  33.980
  272    H    TYR  33           H        TYR  33  24.971   6.128  35.686
  273    HA   TYR  33           HA       TYR  33  27.127   7.789  36.806
  274    HB2  TYR  33           HB2      TYR  33  26.290   8.124  34.387
  275    HB3  TYR  33           HB3      TYR  33  24.858   8.832  35.127
  276    HD1  TYR  33           HD1      TYR  33  25.466  10.644  37.028
  277    HD2  TYR  33           HD2      TYR  33  27.949   9.582  33.740
  278    HE1  TYR  33           HE1      TYR  33  26.624  12.805  37.213
  279    HE2  TYR  33           HE2      TYR  33  29.115  11.741  33.917
  280    HH   TYR  33           HH       TYR  33  28.243  14.217  35.016
  281    H    PHE  34           H        PHE  34  23.570   7.670  36.593
  282    HA   PHE  34           HA       PHE  34  23.455   9.018  39.207
  283    HB2  PHE  34           HB2      PHE  34  21.253   8.824  37.144
  284    HB3  PHE  34           HB3      PHE  34  21.253   9.807  38.604
  285    HD1  PHE  34           HD1      PHE  34  22.757   9.405  35.265
  286    HD2  PHE  34           HD2      PHE  34  22.288  11.935  38.656
  287    HE1  PHE  34           HE1      PHE  34  23.719  11.280  33.995
  288    HE2  PHE  34           HE2      PHE  34  23.249  13.814  37.391
  289    HZ   PHE  34           HZ       PHE  34  23.965  13.488  35.057
  290    H    HIS  35           H        HIS  35  24.019   6.392  39.368
  291    HA   HIS  35           HA       HIS  35  22.016   4.512  39.347
  292    HB2  HIS  35           HB2      HIS  35  24.596   4.522  40.181
  293    HB3  HIS  35           HB3      HIS  35  23.764   4.421  41.729
  294    HD1  HIS  35           HD1      HIS  35  24.574   2.460  38.690
  295    HD2  HIS  35           HD2      HIS  35  22.268   2.039  42.121
  296    HE1  HIS  35           HE1      HIS  35  23.978   0.019  38.805
  Start of MODEL    6
    1    H1   MET   1           H        MET   1  11.918  -0.097   4.556
    2    HA   MET   1           HA       MET   1   9.845   1.986   4.635
    3    HB2  MET   1           HB2      MET   1  12.334   1.643   2.986
    4    HB3  MET   1           HB3      MET   1  11.044   2.717   2.462
    5    HG2  MET   1           HG2      MET   1  12.068   3.016   5.230
    6    HG3  MET   1           HG3      MET   1  13.083   3.570   3.900
    7    HE1  MET   1           HE1      MET   1  11.554   5.681   6.306
    8    HE2  MET   1           HE2      MET   1  13.007   5.670   5.306
    9    HE3  MET   1           HE3      MET   1  11.797   6.937   5.091
   10    H    ASN   2           H        ASN   2   9.330  -0.876   4.255
   11    HA   ASN   2           HA       ASN   2   8.705  -1.236   1.467
   12    HB2  ASN   2           HB2      ASN   2   8.227  -2.864   3.953
   13    HB3  ASN   2           HB3      ASN   2   7.493  -3.311   2.416
   14   HD21  ASN   2          HD21      ASN   2   9.721  -4.380   4.247
   15   HD22  ASN   2          HD22      ASN   2  10.995  -4.750   3.139
   16    H    ILE   3           H        ILE   3   7.475   0.976   1.804
   17    HA   ILE   3           HA       ILE   3   5.017   1.173   3.027
   18    HB   ILE   3           HB       ILE   3   5.784   2.336   0.347
   19   HG12  ILE   3          HG12      ILE   3   5.923   3.624   3.077
   20   HG13  ILE   3          HG13      ILE   3   7.300   2.849   2.302
   21   HG21  ILE   3          HG21      ILE   3   3.379   2.546   1.991
   22   HG22  ILE   3          HG22      ILE   3   4.076   4.104   1.549
   23   HG23  ILE   3          HG23      ILE   3   3.632   2.948   0.293
   24   HD11  ILE   3          HD11      ILE   3   6.850   4.453   0.357
   25   HD12  ILE   3          HD12      ILE   3   5.859   5.345   1.512
   26   HD13  ILE   3          HD13      ILE   3   7.576   5.101   1.828
   27    H    THR   4           H        THR   4   5.576   0.213  -0.364
   28    HA   THR   4           HA       THR   4   2.989  -1.200  -0.285
   29    HB   THR   4           HB       THR   4   3.413  -0.930  -2.939
   30    HG1  THR   4           HG1      THR   4   4.447   0.923  -3.399
   31   HG21  THR   4          HG21      THR   4   1.346  -0.351  -1.843
   32   HG22  THR   4          HG22      THR   4   1.862   1.015  -2.831
   33   HG23  THR   4          HG23      THR   4   2.094   1.053  -1.084
   34    H    SER   5           H        SER   5   6.372  -1.413  -0.909
   35    HA   SER   5           HA       SER   5   6.409  -3.734  -2.513
   36    HB2  SER   5           HB2      SER   5   8.541  -2.888  -0.542
   37    HB3  SER   5           HB3      SER   5   8.752  -3.874  -1.988
   38    HG   SER   5           HG       SER   5   8.940  -2.110  -3.097
   39    H    GLN   6           H        GLN   6   7.257  -5.866  -1.812
   40    HA   GLN   6           HA       GLN   6   5.706  -6.832   0.414
   41    HB2  GLN   6           HB2      GLN   6   6.483  -9.048  -0.277
   42    HB3  GLN   6           HB3      GLN   6   5.859  -8.139  -1.647
   43    HG2  GLN   6           HG2      GLN   6   8.255  -7.517  -2.156
   44    HG3  GLN   6           HG3      GLN   6   8.721  -8.730  -0.965
   45   HE21  GLN   6          HE21      GLN   6   8.614  -8.305  -4.099
   46   HE22  GLN   6          HE22      GLN   6   8.189  -9.885  -4.651
   47    H    MET   7           H        MET   7   6.728  -8.397   1.983
   48    HA   MET   7           HA       MET   7   9.258  -7.251   2.955
   49    HB2  MET   7           HB2      MET   7   6.891  -8.440   4.370
   50    HB3  MET   7           HB3      MET   7   8.462  -8.371   5.158
   51    HG2  MET   7           HG2      MET   7   7.509  -6.434   5.904
   52    HG3  MET   7           HG3      MET   7   8.376  -5.858   4.483
   53    HE1  MET   7           HE1      MET   7   4.110  -7.246   4.330
   54    HE2  MET   7           HE2      MET   7   5.329  -7.636   5.544
   55    HE3  MET   7           HE3      MET   7   4.301  -6.217   5.750
   56    H    ASN   8           H        ASN   8  10.617  -8.803   4.247
   57    HA   ASN   8           HA       ASN   8  10.413 -11.577   3.351
   58    HB2  ASN   8           HB2      ASN   8  11.903 -10.140   1.791
   59    HB3  ASN   8           HB3      ASN   8  13.055 -10.156   3.123
   60   HD21  ASN   8          HD21      ASN   8  14.617 -11.443   2.387
   61   HD22  ASN   8          HD22      ASN   8  14.395 -13.074   1.862
   62    H    LYS   9           H        LYS   9  11.956 -13.003   4.507
   63    HA   LYS   9           HA       LYS   9  11.785 -12.683   7.270
   64    HB2  LYS   9           HB2      LYS   9  12.261 -14.796   5.816
   65    HB3  LYS   9           HB3      LYS   9  13.948 -14.348   6.025
   66    HG2  LYS   9           HG2      LYS   9  12.217 -14.528   8.436
   67    HG3  LYS   9           HG3      LYS   9  12.764 -16.019   7.665
   68    HD2  LYS   9           HD2      LYS   9  14.777 -13.894   8.184
   69    HD3  LYS   9           HD3      LYS   9  14.177 -14.822   9.561
   70    HE2  LYS   9           HE2      LYS   9  14.752 -16.903   8.303
   71    HE3  LYS   9           HE3      LYS   9  15.509 -15.889   7.076
   72    HZ1  LYS   9           HZ1      LYS   9  17.220 -15.330   8.460
   73    HZ2  LYS   9           HZ2      LYS   9  16.905 -16.896   9.015
   74    HZ3  LYS   9           HZ3      LYS   9  16.323 -15.561   9.876
   75    H    THR  10           H        THR  10  14.415 -11.927   5.041
   76    HA   THR  10           HA       THR  10  16.431 -11.372   6.878
   77    HB   THR  10           HB       THR  10  16.249  -9.589   4.511
   78    HG1  THR  10           HG1      THR  10  16.831 -11.419   3.163
   79   HG21  THR  10          HG21      THR  10  18.278  -9.638   5.825
   80   HG22  THR  10          HG22      THR  10  18.594 -10.357   4.245
   81   HG23  THR  10          HG23      THR  10  18.383 -11.390   5.658
   82    H    ILE  11           H        ILE  11  13.754  -9.376   5.768
   83    HA   ILE  11           HA       ILE  11  14.589  -6.914   6.803
   84    HB   ILE  11           HB       ILE  11  11.745  -7.906   6.589
   85   HG12  ILE  11          HG12      ILE  11  13.005  -8.137   4.468
   86   HG13  ILE  11          HG13      ILE  11  11.728  -6.929   4.360
   87   HG21  ILE  11          HG21      ILE  11  11.607  -5.282   6.072
   88   HG22  ILE  11          HG22      ILE  11  11.436  -5.955   7.692
   89   HG23  ILE  11          HG23      ILE  11  12.984  -5.289   7.174
   90   HD11  ILE  11          HD11      ILE  11  14.615  -6.271   4.875
   91   HD12  ILE  11          HD12      ILE  11  13.868  -6.282   3.277
   92   HD13  ILE  11          HD13      ILE  11  13.304  -5.151   4.506
   93    H    ILE  12           H        ILE  12  12.875  -9.601   8.310
   94    HA   ILE  12           HA       ILE  12  12.135  -8.363  10.702
   95    HB   ILE  12           HB       ILE  12  12.940 -11.249  10.325
   96   HG12  ILE  12          HG12      ILE  12  11.195 -10.616   8.745
   97   HG13  ILE  12          HG13      ILE  12  10.520 -11.646  10.002
   98   HG21  ILE  12          HG21      ILE  12  11.245  -9.918  12.434
   99   HG22  ILE  12          HG22      ILE  12  11.476 -11.657  12.259
  100   HG23  ILE  12          HG23      ILE  12  12.846 -10.623  12.664
  101   HD11  ILE  12          HD11      ILE  12  10.272  -8.654   9.822
  102   HD12  ILE  12          HD12      ILE  12   9.009  -9.840   9.495
  103   HD13  ILE  12          HD13      ILE  12   9.640  -9.653  11.131
  104    H    GLY  13           H        GLY  13  15.103 -10.146   9.884
  105    HA2  GLY  13           HA2      GLY  13  16.370 -10.113  12.337
  106    HA3  GLY  13           HA3      GLY  13  17.210 -10.040  10.795
  107    H    VAL  14           H        VAL  14  17.028  -7.739   9.757
  108    HA   VAL  14           HA       VAL  14  18.554  -5.985  11.234
  109    HB   VAL  14           HB       VAL  14  16.603  -5.243   9.049
  110   HG11  VAL  14          HG11      VAL  14  18.660  -3.517   8.800
  111   HG12  VAL  14          HG12      VAL  14  17.193  -3.170   9.717
  112   HG13  VAL  14          HG13      VAL  14  18.642  -3.735  10.550
  113   HG21  VAL  14          HG21      VAL  14  19.376  -5.379   8.275
  114   HG22  VAL  14          HG22      VAL  14  18.830  -6.923   8.930
  115   HG23  VAL  14          HG23      VAL  14  17.974  -6.189   7.574
  116    H    SER  15           H        SER  15  15.027  -6.037  10.872
  117    HA   SER  15           HA       SER  15  14.352  -3.711  12.180
  118    HB2  SER  15           HB2      SER  15  12.833  -5.470  11.049
  119    HB3  SER  15           HB3      SER  15  12.797  -6.251  12.629
  120    HG   SER  15           HG       SER  15  11.097  -4.878  12.641
  121    H    VAL  16           H        VAL  16  14.929  -6.908  13.621
  122    HA   VAL  16           HA       VAL  16  14.444  -6.152  16.289
  123    HB   VAL  16           HB       VAL  16  16.353  -8.321  15.427
  124   HG11  VAL  16          HG11      VAL  16  16.468  -8.078  17.749
  125   HG12  VAL  16          HG12      VAL  16  14.735  -7.777  17.895
  126   HG13  VAL  16          HG13      VAL  16  15.321  -9.396  17.511
  127   HG21  VAL  16          HG21      VAL  16  13.952  -9.562  15.864
  128   HG22  VAL  16          HG22      VAL  16  13.469  -8.092  15.018
  129   HG23  VAL  16          HG23      VAL  16  14.636  -9.191  14.281
  130    H    LEU  17           H        LEU  17  17.451  -6.334  14.411
  131    HA   LEU  17           HA       LEU  17  19.291  -5.752  16.378
  132    HB2  LEU  17           HB2      LEU  17  19.156  -5.267  13.452
  133    HB3  LEU  17           HB3      LEU  17  20.425  -4.449  14.362
  134    HG   LEU  17           HG       LEU  17  20.098  -7.399  14.668
  135   HD11  LEU  17          HD11      LEU  17  20.266  -7.634  12.437
  136   HD12  LEU  17          HD12      LEU  17  21.966  -7.267  12.727
  137   HD13  LEU  17          HD13      LEU  17  20.866  -5.993  12.200
  138   HD21  LEU  17          HD21      LEU  17  22.345  -7.347  15.274
  139   HD22  LEU  17          HD22      LEU  17  21.698  -5.862  15.972
  140   HD23  LEU  17          HD23      LEU  17  22.627  -5.801  14.473
  141    H    SER  18           H        SER  18  17.562  -3.421  14.310
  142    HA   SER  18           HA       SER  18  18.623  -1.100  15.456
  143    HB2  SER  18           HB2      SER  18  17.253  -1.322  13.307
  144    HB3  SER  18           HB3      SER  18  15.825  -1.300  14.341
  145    HG   SER  18           HG       SER  18  17.762   0.726  13.972
  146    H    VAL  19           H        VAL  19  15.741  -2.977  16.287
  147    HA   VAL  19           HA       VAL  19  14.595  -1.308  18.172
  148    HB   VAL  19           HB       VAL  19  14.726  -4.326  18.218
  149   HG11  VAL  19          HG11      VAL  19  12.465  -3.870  19.476
  150   HG12  VAL  19          HG12      VAL  19  14.000  -3.876  20.347
  151   HG13  VAL  19          HG13      VAL  19  13.252  -2.346  19.886
  152   HG21  VAL  19          HG21      VAL  19  12.206  -3.141  17.455
  153   HG22  VAL  19          HG22      VAL  19  13.508  -2.610  16.392
  154   HG23  VAL  19          HG23      VAL  19  13.191  -4.332  16.605
  155    H    LEU  20           H        LEU  20  16.769  -4.046  18.902
  156    HA   LEU  20           HA       LEU  20  17.126  -3.562  21.592
  157    HB2  LEU  20           HB2      LEU  20  18.885  -4.791  19.506
  158    HB3  LEU  20           HB3      LEU  20  19.455  -4.613  21.164
  159    HG   LEU  20           HG       LEU  20  18.433  -6.862  20.431
  160   HD11  LEU  20          HD11      LEU  20  18.996  -6.333  22.728
  161   HD12  LEU  20          HD12      LEU  20  17.461  -7.196  22.659
  162   HD13  LEU  20          HD13      LEU  20  17.480  -5.452  22.920
  163   HD21  LEU  20          HD21      LEU  20  15.907  -5.287  20.920
  164   HD22  LEU  20          HD22      LEU  20  16.021  -7.026  20.649
  165   HD23  LEU  20          HD23      LEU  20  16.444  -5.903  19.356
  166    H    VAL  21           H        VAL  21  18.940  -2.220  18.860
  167    HA   VAL  21           HA       VAL  21  20.932  -0.866  20.214
  168    HB   VAL  21           HB       VAL  21  19.460   0.014  17.727
  169   HG11  VAL  21          HG11      VAL  21  20.550   1.947  18.131
  170   HG12  VAL  21          HG12      VAL  21  21.715   1.188  19.218
  171   HG13  VAL  21          HG13      VAL  21  21.926   1.064  17.472
  172   HG21  VAL  21          HG21      VAL  21  22.181  -1.100  17.575
  173   HG22  VAL  21          HG22      VAL  21  20.918  -2.239  18.041
  174   HG23  VAL  21          HG23      VAL  21  20.790  -1.353  16.521
  175    H    VAL  22           H        VAL  22  17.928   0.660  19.031
  176    HA   VAL  22           HA       VAL  22  18.179   3.061  20.378
  177    HB   VAL  22           HB       VAL  22  15.624   1.591  19.712
  178   HG11  VAL  22          HG11      VAL  22  15.173   3.308  21.339
  179   HG12  VAL  22          HG12      VAL  22  16.105   4.485  20.411
  180   HG13  VAL  22          HG13      VAL  22  14.595   3.843  19.762
  181   HG21  VAL  22          HG21      VAL  22  16.893   3.821  18.152
  182   HG22  VAL  22          HG22      VAL  22  17.289   2.129  17.850
  183   HG23  VAL  22          HG23      VAL  22  15.633   2.697  17.642
  184    H    SER  23           H        SER  23  16.401   0.162  21.442
  185    HA   SER  23           HA       SER  23  15.458   1.078  23.864
  186    HB2  SER  23           HB2      SER  23  15.271  -1.271  22.615
  187    HB3  SER  23           HB3      SER  23  16.519  -1.707  23.783
  188    HG   SER  23           HG       SER  23  14.624  -2.109  24.798
  189    H    VAL  24           H        VAL  24  18.450  -0.820  23.432
  190    HA   VAL  24           HA       VAL  24  19.441  -0.601  25.997
  191    HB   VAL  24           HB       VAL  24  21.027  -0.653  23.426
  192   HG11  VAL  24          HG11      VAL  24  21.848  -0.466  26.193
  193   HG12  VAL  24          HG12      VAL  24  22.471  -1.929  25.427
  194   HG13  VAL  24          HG13      VAL  24  22.812  -0.349  24.721
  195   HG21  VAL  24          HG21      VAL  24  20.873  -2.937  23.429
  196   HG22  VAL  24          HG22      VAL  24  20.619  -3.030  25.171
  197   HG23  VAL  24          HG23      VAL  24  19.301  -2.524  24.114
  198    H    VAL  25           H        VAL  25  20.207   1.520  23.234
  199    HA   VAL  25           HA       VAL  25  21.883   3.309  24.487
  200    HB   VAL  25           HB       VAL  25  19.820   3.908  22.363
  201   HG11  VAL  25          HG11      VAL  25  22.204   5.507  23.286
  202   HG12  VAL  25          HG12      VAL  25  21.280   5.839  21.820
  203   HG13  VAL  25          HG13      VAL  25  20.506   5.969  23.399
  204   HG21  VAL  25          HG21      VAL  25  22.727   3.629  21.809
  205   HG22  VAL  25          HG22      VAL  25  21.788   2.162  22.086
  206   HG23  VAL  25          HG23      VAL  25  21.340   3.262  20.783
  207    H    ALA  26           H        ALA  26  18.343   3.587  24.171
  208    HA   ALA  26           HA       ALA  26  17.951   5.945  25.542
  209    HB1  ALA  26           HB1      ALA  26  15.997   5.241  24.634
  210    HB2  ALA  26           HB2      ALA  26  16.296   3.546  25.024
  211    HB3  ALA  26           HB3      ALA  26  15.737   4.654  26.277
  212    H    VAL  27           H        VAL  27  18.268   2.671  26.860
  213    HA   VAL  27           HA       VAL  27  17.795   3.424  29.562
  214    HB   VAL  27           HB       VAL  27  19.215   0.990  28.470
  215   HG11  VAL  27          HG11      VAL  27  19.855   0.891  30.651
  216   HG12  VAL  27          HG12      VAL  27  18.485   1.852  31.213
  217   HG13  VAL  27          HG13      VAL  27  18.262   0.151  30.803
  218   HG21  VAL  27          HG21      VAL  27  17.170  -0.127  28.478
  219   HG22  VAL  27          HG22      VAL  27  16.405   1.079  29.512
  220   HG23  VAL  27          HG23      VAL  27  16.764   1.462  27.829
  221    H    LEU  28           H        LEU  28  20.733   2.872  27.656
  222    HA   LEU  28           HA       LEU  28  22.653   3.075  29.620
  223    HB2  LEU  28           HB2      LEU  28  22.688   4.057  26.775
  224    HB3  LEU  28           HB3      LEU  28  24.113   4.049  27.812
  225    HG   LEU  28           HG       LEU  28  22.577   1.534  27.240
  226   HD11  LEU  28          HD11      LEU  28  24.172   3.096  25.392
  227   HD12  LEU  28          HD12      LEU  28  23.164   1.679  25.099
  228   HD13  LEU  28          HD13      LEU  28  24.830   1.478  25.640
  229   HD21  LEU  28          HD21      LEU  28  24.421   0.429  28.068
  230   HD22  LEU  28          HD22      LEU  28  24.386   1.867  29.088
  231   HD23  LEU  28          HD23      LEU  28  25.512   1.773  27.733
  232    H    VAL  29           H        VAL  29  21.329   5.756  27.676
  233    HA   VAL  29           HA       VAL  29  22.693   7.796  29.071
  234    HB   VAL  29           HB       VAL  29  20.064   8.132  27.633
  235   HG11  VAL  29          HG11      VAL  29  20.806  10.077  28.876
  236   HG12  VAL  29          HG12      VAL  29  22.391   9.994  28.103
  237   HG13  VAL  29          HG13      VAL  29  20.959  10.371  27.144
  238   HG21  VAL  29          HG21      VAL  29  21.583   8.666  25.648
  239   HG22  VAL  29          HG22      VAL  29  22.839   7.800  26.533
  240   HG23  VAL  29          HG23      VAL  29  21.357   6.966  26.062
  241    H    TYR  30           H        TYR  30  19.515   6.326  29.496
  242    HA   TYR  30           HA       TYR  30  18.362   8.071  31.293
  243    HB2  TYR  30           HB2      TYR  30  17.769   5.542  30.309
  244    HB3  TYR  30           HB3      TYR  30  17.900   5.295  32.047
  245    HD1  TYR  30           HD1      TYR  30  16.150   5.923  33.478
  246    HD2  TYR  30           HD2      TYR  30  16.193   7.359  29.473
  247    HE1  TYR  30           HE1      TYR  30  13.879   6.817  33.781
  248    HE2  TYR  30           HE2      TYR  30  13.922   8.258  29.765
  249    HH   TYR  30           HH       TYR  30  12.526   8.869  32.521
  250    H    LYS  31           H        LYS  31  20.639   5.438  31.940
  251    HA   LYS  31           HA       LYS  31  20.689   6.053  34.776
  252    HB2  LYS  31           HB2      LYS  31  22.515   4.130  33.351
  253    HB3  LYS  31           HB3      LYS  31  22.021   4.118  35.039
  254    HG2  LYS  31           HG2      LYS  31  19.824   3.401  34.472
  255    HG3  LYS  31           HG3      LYS  31  20.125   3.649  32.751
  256    HD2  LYS  31           HD2      LYS  31  20.462   1.396  32.860
  257    HD3  LYS  31           HD3      LYS  31  22.098   1.942  33.234
  258    HE2  LYS  31           HE2      LYS  31  21.225   1.906  35.699
  259    HE3  LYS  31           HE3      LYS  31  20.008   0.811  35.044
  260    HZ1  LYS  31           HZ1      LYS  31  22.259  -0.092  35.968
  261    HZ2  LYS  31           HZ2      LYS  31  22.830   0.307  34.427
  262    HZ3  LYS  31           HZ3      LYS  31  21.553  -0.790  34.598
  263    H    PHE  32           H        PHE  32  23.065   5.965  32.118
  264    HA   PHE  32           HA       PHE  32  25.248   6.998  33.439
  265    HB2  PHE  32           HB2      PHE  32  24.334   7.172  30.588
  266    HB3  PHE  32           HB3      PHE  32  25.783   8.030  31.100
  267    HD1  PHE  32           HD1      PHE  32  24.900   5.304  29.391
  268    HD2  PHE  32           HD2      PHE  32  27.148   6.283  32.870
  269    HE1  PHE  32           HE1      PHE  32  26.209   3.239  29.122
  270    HE2  PHE  32           HE2      PHE  32  28.462   4.220  32.605
  271    HZ   PHE  32           HZ       PHE  32  27.994   2.695  30.729
  272    H    TYR  33           H        TYR  33  22.342   8.602  32.510
  273    HA   TYR  33           HA       TYR  33  23.527  11.214  33.167
  274    HB2  TYR  33           HB2      TYR  33  22.325  10.790  30.914
  275    HB3  TYR  33           HB3      TYR  33  20.843  10.847  31.861
  276    HD1  TYR  33           HD1      TYR  33  20.842  12.970  33.571
  277    HD2  TYR  33           HD2      TYR  33  22.900  12.747  29.854
  278    HE1  TYR  33           HE1      TYR  33  20.840  15.425  33.430
  279    HE2  TYR  33           HE2      TYR  33  22.905  15.202  29.703
  280    HH   TYR  33           HH       TYR  33  21.939  17.101  30.555
  281    H    PHE  34           H        PHE  34  20.521   9.349  33.594
  282    HA   PHE  34           HA       PHE  34  20.090  10.794  36.124
  283    HB2  PHE  34           HB2      PHE  34  18.012   9.377  34.445
  284    HB3  PHE  34           HB3      PHE  34  17.719  10.372  35.867
  285    HD1  PHE  34           HD1      PHE  34  17.601  12.732  35.716
  286    HD2  PHE  34           HD2      PHE  34  18.790  10.424  32.343
  287    HE1  PHE  34           HE1      PHE  34  17.367  14.716  34.279
  288    HE2  PHE  34           HE2      PHE  34  18.558  12.404  30.902
  289    HZ   PHE  34           HZ       PHE  34  17.847  14.554  31.869
  290    H    HIS  35           H        HIS  35  21.854   8.804  36.339
  291    HA   HIS  35           HA       HIS  35  21.064   6.201  36.681
  292    HB2  HIS  35           HB2      HIS  35  23.368   6.735  36.940
  293    HB3  HIS  35           HB3      HIS  35  23.034   7.854  38.259
  294    HD1  HIS  35           HD1      HIS  35  22.176   4.172  37.754
  295    HD2  HIS  35           HD2      HIS  35  23.949   6.713  40.522
  296    HE1  HIS  35           HE1      HIS  35  22.786   2.715  39.710
  Start of MODEL    7
    1    H1   MET   1           H        MET   1   2.858   3.467   3.937
    2    HA   MET   1           HA       MET   1   0.697   1.607   4.345
    3    HB2  MET   1           HB2      MET   1  -0.025   1.618   1.968
    4    HB3  MET   1           HB3      MET   1  -0.414   3.108   2.816
    5    HG2  MET   1           HG2      MET   1   2.157   3.046   1.370
    6    HG3  MET   1           HG3      MET   1   0.693   3.041   0.389
    7    HE1  MET   1           HE1      MET   1   2.788   6.587   1.709
    8    HE2  MET   1           HE2      MET   1   3.319   4.905   1.664
    9    HE3  MET   1           HE3      MET   1   2.771   5.698   0.186
   10    H    ASN   2           H        ASN   2   0.910  -0.201   2.554
   11    HA   ASN   2           HA       ASN   2   3.638  -1.121   2.727
   12    HB2  ASN   2           HB2      ASN   2   1.431  -2.500   2.967
   13    HB3  ASN   2           HB3      ASN   2   1.487  -2.561   1.208
   14   HD21  ASN   2          HD21      ASN   2   2.012  -4.618   0.832
   15   HD22  ASN   2          HD22      ASN   2   3.430  -5.404   1.428
   16    H    ILE   3           H        ILE   3   5.142  -0.729   1.255
   17    HA   ILE   3           HA       ILE   3   4.345   0.171  -1.409
   18    HB   ILE   3           HB       ILE   3   7.154   0.085  -0.327
   19   HG12  ILE   3          HG12      ILE   3   6.323   2.714  -0.146
   20   HG13  ILE   3          HG13      ILE   3   4.921   1.819   0.431
   21   HG21  ILE   3          HG21      ILE   3   6.343   2.228  -2.139
   22   HG22  ILE   3          HG22      ILE   3   7.751   1.168  -2.192
   23   HG23  ILE   3          HG23      ILE   3   6.206   0.614  -2.837
   24   HD11  ILE   3          HD11      ILE   3   7.281   0.740   1.617
   25   HD12  ILE   3          HD12      ILE   3   7.249   2.489   1.843
   26   HD13  ILE   3          HD13      ILE   3   5.891   1.504   2.388
   27    H    THR   4           H        THR   4   4.057  -2.613  -0.711
   28    HA   THR   4           HA       THR   4   4.707  -4.732  -1.341
   29    HB   THR   4           HB       THR   4   3.491  -3.917  -3.302
   30    HG1  THR   4           HG1      THR   4   4.095  -5.633  -4.423
   31   HG21  THR   4          HG21      THR   4   4.761  -3.067  -5.257
   32   HG22  THR   4          HG22      THR   4   6.206  -2.994  -4.248
   33   HG23  THR   4          HG23      THR   4   4.815  -1.977  -3.873
   34    H    SER   5           H        SER   5   6.871  -3.452  -0.151
   35    HA   SER   5           HA       SER   5   9.231  -3.307  -1.591
   36    HB2  SER   5           HB2      SER   5   8.818  -4.213   1.268
   37    HB3  SER   5           HB3      SER   5  10.377  -3.771   0.572
   38    HG   SER   5           HG       SER   5   8.151  -2.142   1.131
   39    H    GLN   6           H        GLN   6  10.782  -4.741  -2.233
   40    HA   GLN   6           HA       GLN   6   9.980  -7.558  -2.248
   41    HB2  GLN   6           HB2      GLN   6  11.836  -5.921  -3.954
   42    HB3  GLN   6           HB3      GLN   6  11.921  -7.678  -3.958
   43    HG2  GLN   6           HG2      GLN   6   9.543  -7.757  -4.608
   44    HG3  GLN   6           HG3      GLN   6   9.536  -5.996  -4.691
   45   HE21  GLN   6          HE21      GLN   6   9.743  -8.701  -6.493
   46   HE22  GLN   6          HE22      GLN   6  10.607  -8.091  -7.859
   47    H    MET   7           H        MET   7  11.039  -6.455   0.154
   48    HA   MET   7           HA       MET   7  13.744  -7.573   0.297
   49    HB2  MET   7           HB2      MET   7  12.225  -5.563   1.865
   50    HB3  MET   7           HB3      MET   7  13.374  -6.554   2.754
   51    HG2  MET   7           HG2      MET   7  14.699  -4.794   2.179
   52    HG3  MET   7           HG3      MET   7  14.994  -5.872   0.818
   53    HE1  MET   7           HE1      MET   7  13.899  -1.649   0.624
   54    HE2  MET   7           HE2      MET   7  12.886  -2.458   1.820
   55    HE3  MET   7           HE3      MET   7  14.641  -2.622   1.894
   56    H    ASN   8           H        ASN   8  14.304  -8.946   2.132
   57    HA   ASN   8           HA       ASN   8  12.293 -10.974   2.541
   58    HB2  ASN   8           HB2      ASN   8  15.215 -10.715   3.113
   59    HB3  ASN   8           HB3      ASN   8  14.288 -11.924   3.997
   60   HD21  ASN   8          HD21      ASN   8  15.225 -10.828   0.798
   61   HD22  ASN   8          HD22      ASN   8  15.016 -12.352   0.011
   62    H    LYS   9           H        LYS   9  11.117 -11.334   4.327
   63    HA   LYS   9           HA       LYS   9  10.753  -9.366   6.266
   64    HB2  LYS   9           HB2      LYS   9   9.011 -10.958   5.840
   65    HB3  LYS   9           HB3      LYS   9  10.054 -12.303   6.280
   66    HG2  LYS   9           HG2      LYS   9   8.435 -11.820   8.030
   67    HG3  LYS   9           HG3      LYS   9  10.086 -11.546   8.591
   68    HD2  LYS   9           HD2      LYS   9   9.843  -9.218   8.524
   69    HD3  LYS   9           HD3      LYS   9   8.418  -9.308   7.485
   70    HE2  LYS   9           HE2      LYS   9   7.287 -10.501   9.439
   71    HE3  LYS   9           HE3      LYS   9   8.646  -9.944  10.414
   72    HZ1  LYS   9           HZ1      LYS   9   6.673  -8.274   8.961
   73    HZ2  LYS   9           HZ2      LYS   9   8.085  -7.654   9.655
   74    HZ3  LYS   9           HZ3      LYS   9   6.906  -8.370  10.634
   75    H    THR  10           H        THR  10  13.003 -12.002   6.120
   76    HA   THR  10           HA       THR  10  13.648 -12.300   8.819
   77    HB   THR  10           HB       THR  10  15.889 -12.454   6.881
   78    HG1  THR  10           HG1      THR  10  13.558 -14.087   6.714
   79   HG21  THR  10          HG21      THR  10  14.735 -14.345   8.934
   80   HG22  THR  10          HG22      THR  10  16.148 -13.309   9.138
   81   HG23  THR  10          HG23      THR  10  16.191 -14.643   7.985
   82    H    ILE  11           H        ILE  11  15.216 -10.233   6.372
   83    HA   ILE  11           HA       ILE  11  17.101  -9.030   8.010
   84    HB   ILE  11           HB       ILE  11  15.636  -7.725   5.714
   85   HG12  ILE  11          HG12      ILE  11  18.269  -9.202   5.640
   86   HG13  ILE  11          HG13      ILE  11  16.732  -9.961   5.240
   87   HG21  ILE  11          HG21      ILE  11  16.799  -5.932   6.372
   88   HG22  ILE  11          HG22      ILE  11  17.832  -6.881   7.440
   89   HG23  ILE  11          HG23      ILE  11  18.204  -6.776   5.719
   90   HD11  ILE  11          HD11      ILE  11  18.240  -9.014   3.360
   91   HD12  ILE  11          HD12      ILE  11  16.496  -8.755   3.295
   92   HD13  ILE  11          HD13      ILE  11  17.561  -7.460   3.843
   93    H    ILE  12           H        ILE  12  13.770  -8.003   7.331
   94    HA   ILE  12           HA       ILE  12  13.733  -5.615   8.726
   95    HB   ILE  12           HB       ILE  12  11.472  -7.611   8.562
   96   HG12  ILE  12          HG12      ILE  12  12.239  -5.351   6.701
   97   HG13  ILE  12          HG13      ILE  12  12.374  -7.070   6.347
   98   HG21  ILE  12          HG21      ILE  12  10.012  -5.703   8.878
   99   HG22  ILE  12          HG22      ILE  12  11.140  -5.831  10.226
  100   HG23  ILE  12          HG23      ILE  12  11.403  -4.624   8.968
  101   HD11  ILE  12          HD11      ILE  12  10.432  -6.460   5.262
  102   HD12  ILE  12          HD12      ILE  12   9.833  -7.117   6.786
  103   HD13  ILE  12          HD13      ILE  12   9.929  -5.371   6.555
  104    H    GLY  13           H        GLY  13  13.087  -8.892   9.946
  105    HA2  GLY  13           HA2      GLY  13  12.352  -8.303  12.541
  106    HA3  GLY  13           HA3      GLY  13  13.229  -9.752  12.072
  107    H    VAL  14           H        VAL  14  15.663  -9.245  11.608
  108    HA   VAL  14           HA       VAL  14  16.911  -8.659  13.992
  109    HB   VAL  14           HB       VAL  14  18.116  -8.251  11.252
  110   HG11  VAL  14          HG11      VAL  14  19.177  -8.167  13.977
  111   HG12  VAL  14          HG12      VAL  14  20.080  -9.217  12.883
  112   HG13  VAL  14          HG13      VAL  14  19.842  -7.517  12.479
  113   HG21  VAL  14          HG21      VAL  14  17.084 -10.604  12.428
  114   HG22  VAL  14          HG22      VAL  14  18.006 -10.446  10.933
  115   HG23  VAL  14          HG23      VAL  14  18.843 -10.730  12.459
  116    H    SER  15           H        SER  15  16.283  -6.485  11.264
  117    HA   SER  15           HA       SER  15  17.671  -4.248  12.076
  118    HB2  SER  15           HB2      SER  15  14.958  -4.321  10.733
  119    HB3  SER  15           HB3      SER  15  16.045  -2.934  10.770
  120    HG   SER  15           HG       SER  15  17.520  -4.091   9.548
  121    H    VAL  16           H        VAL  16  14.357  -5.181  12.958
  122    HA   VAL  16           HA       VAL  16  13.822  -2.951  14.594
  123    HB   VAL  16           HB       VAL  16  12.637  -5.697  14.978
  124   HG11  VAL  16          HG11      VAL  16  11.805  -2.901  15.660
  125   HG12  VAL  16          HG12      VAL  16  10.607  -4.185  15.482
  126   HG13  VAL  16          HG13      VAL  16  11.878  -4.326  16.697
  127   HG21  VAL  16          HG21      VAL  16  12.008  -5.580  12.832
  128   HG22  VAL  16          HG22      VAL  16  10.874  -4.345  13.380
  129   HG23  VAL  16          HG23      VAL  16  12.432  -3.872  12.703
  130    H    LEU  17           H        LEU  17  15.098  -6.173  15.340
  131    HA   LEU  17           HA       LEU  17  15.177  -5.935  18.123
  132    HB2  LEU  17           HB2      LEU  17  16.943  -7.479  16.236
  133    HB3  LEU  17           HB3      LEU  17  16.997  -7.651  17.989
  134    HG   LEU  17           HG       LEU  17  14.473  -8.144  16.437
  135   HD11  LEU  17          HD11      LEU  17  15.069 -10.236  15.843
  136   HD12  LEU  17          HD12      LEU  17  16.115 -10.456  17.246
  137   HD13  LEU  17          HD13      LEU  17  16.690  -9.541  15.853
  138   HD21  LEU  17          HD21      LEU  17  14.111  -7.922  18.770
  139   HD22  LEU  17          HD22      LEU  17  15.508  -8.928  19.153
  140   HD23  LEU  17          HD23      LEU  17  14.077  -9.649  18.416
  141    H    SER  18           H        SER  18  17.452  -4.885  15.651
  142    HA   SER  18           HA       SER  18  19.505  -4.130  17.488
  143    HB2  SER  18           HB2      SER  18  19.973  -4.680  15.121
  144    HB3  SER  18           HB3      SER  18  19.080  -3.243  14.623
  145    HG   SER  18           HG       SER  18  21.572  -3.449  15.888
  146    H    VAL  19           H        VAL  19  16.735  -2.544  16.068
  147    HA   VAL  19           HA       VAL  19  17.459   0.124  16.661
  148    HB   VAL  19           HB       VAL  19  14.713  -1.096  16.342
  149   HG11  VAL  19          HG11      VAL  19  14.397   0.943  17.484
  150   HG12  VAL  19          HG12      VAL  19  15.624   1.765  16.517
  151   HG13  VAL  19          HG13      VAL  19  14.089   1.298  15.784
  152   HG21  VAL  19          HG21      VAL  19  16.702  -0.835  14.466
  153   HG22  VAL  19          HG22      VAL  19  14.977  -0.962  14.124
  154   HG23  VAL  19          HG23      VAL  19  15.742   0.624  14.224
  155    H    LEU  20           H        LEU  20  15.273  -2.126  18.358
  156    HA   LEU  20           HA       LEU  20  14.752  -0.446  20.547
  157    HB2  LEU  20           HB2      LEU  20  14.131  -2.594  21.709
  158    HB3  LEU  20           HB3      LEU  20  13.292  -2.255  20.197
  159    HG   LEU  20           HG       LEU  20  15.380  -3.795  19.345
  160   HD11  LEU  20          HD11      LEU  20  15.713  -4.112  21.945
  161   HD12  LEU  20          HD12      LEU  20  15.939  -5.445  20.814
  162   HD13  LEU  20          HD13      LEU  20  14.433  -5.304  21.721
  163   HD21  LEU  20          HD21      LEU  20  13.216  -4.171  18.530
  164   HD22  LEU  20          HD22      LEU  20  12.564  -4.467  20.141
  165   HD23  LEU  20          HD23      LEU  20  13.631  -5.654  19.389
  166    H    VAL  21           H        VAL  21  17.088  -3.106  20.187
  167    HA   VAL  21           HA       VAL  21  18.210  -3.121  22.694
  168    HB   VAL  21           HB       VAL  21  19.470  -3.584  20.000
  169   HG11  VAL  21          HG11      VAL  21  20.739  -3.716  22.719
  170   HG12  VAL  21          HG12      VAL  21  21.340  -4.663  21.357
  171   HG13  VAL  21          HG13      VAL  21  21.324  -2.901  21.269
  172   HG21  VAL  21          HG21      VAL  21  17.769  -5.106  21.538
  173   HG22  VAL  21          HG22      VAL  21  18.814  -5.706  20.250
  174   HG23  VAL  21          HG23      VAL  21  19.358  -5.765  21.926
  175    H    VAL  22           H        VAL  22  19.508  -1.286  19.919
  176    HA   VAL  22           HA       VAL  22  21.459   0.139  21.245
  177    HB   VAL  22           HB       VAL  22  19.742   1.081  18.944
  178   HG11  VAL  22          HG11      VAL  22  20.713   3.060  19.366
  179   HG12  VAL  22          HG12      VAL  22  21.949   2.346  20.403
  180   HG13  VAL  22          HG13      VAL  22  22.144   2.320  18.650
  181   HG21  VAL  22          HG21      VAL  22  21.241  -1.077  18.857
  182   HG22  VAL  22          HG22      VAL  22  21.207   0.056  17.506
  183   HG23  VAL  22          HG23      VAL  22  22.540   0.099  18.659
  184    H    SER  23           H        SER  23  18.109   1.193  20.626
  185    HA   SER  23           HA       SER  23  18.185   3.640  21.901
  186    HB2  SER  23           HB2      SER  23  16.201   3.275  20.760
  187    HB3  SER  23           HB3      SER  23  16.009   1.644  21.403
  188    HG   SER  23           HG       SER  23  14.784   2.492  22.867
  189    H    VAL  24           H        VAL  24  17.349   0.484  23.318
  190    HA   VAL  24           HA       VAL  24  16.796   1.288  25.905
  191    HB   VAL  24           HB       VAL  24  18.180  -1.255  25.039
  192   HG11  VAL  24          HG11      VAL  24  16.838  -1.981  27.223
  193   HG12  VAL  24          HG12      VAL  24  18.498  -1.383  27.286
  194   HG13  VAL  24          HG13      VAL  24  17.154  -0.299  27.650
  195   HG21  VAL  24          HG21      VAL  24  15.429  -1.569  25.754
  196   HG22  VAL  24          HG22      VAL  24  15.574  -0.310  24.528
  197   HG23  VAL  24          HG23      VAL  24  16.225  -1.920  24.220
  198    H    VAL  25           H        VAL  25  19.943   0.220  24.613
  199    HA   VAL  25           HA       VAL  25  21.487   0.526  26.875
  200    HB   VAL  25           HB       VAL  25  22.288   1.113  24.021
  201   HG11  VAL  25          HG11      VAL  25  23.891   2.105  25.517
  202   HG12  VAL  25          HG12      VAL  25  23.972   0.625  26.475
  203   HG13  VAL  25          HG13      VAL  25  24.588   0.643  24.822
  204   HG21  VAL  25          HG21      VAL  25  22.498  -1.396  25.683
  205   HG22  VAL  25          HG22      VAL  25  21.434  -1.139  24.299
  206   HG23  VAL  25          HG23      VAL  25  23.183  -1.182  24.072
  207    H    ALA  26           H        ALA  26  20.917   2.981  24.352
  208    HA   ALA  26           HA       ALA  26  22.350   5.073  25.428
  209    HB1  ALA  26           HB1      ALA  26  19.735   5.777  24.243
  210    HB2  ALA  26           HB2      ALA  26  21.352   6.374  23.867
  211    HB3  ALA  26           HB3      ALA  26  20.824   4.810  23.248
  212    H    VAL  27           H        VAL  27  19.042   4.065  26.187
  213    HA   VAL  27           HA       VAL  27  18.509   6.214  27.974
  214    HB   VAL  27           HB       VAL  27  17.185   3.502  27.813
  215   HG11  VAL  27          HG11      VAL  27  15.284   5.186  28.726
  216   HG12  VAL  27          HG12      VAL  27  16.308   4.197  29.770
  217   HG13  VAL  27          HG13      VAL  27  16.718   5.887  29.475
  218   HG21  VAL  27          HG21      VAL  27  16.279   4.199  25.910
  219   HG22  VAL  27          HG22      VAL  27  15.555   5.559  26.768
  220   HG23  VAL  27          HG23      VAL  27  17.147   5.729  26.029
  221    H    LEU  28           H        LEU  28  19.552   2.855  28.434
  222    HA   LEU  28           HA       LEU  28  19.483   2.678  31.180
  223    HB2  LEU  28           HB2      LEU  28  21.194   1.462  29.073
  224    HB3  LEU  28           HB3      LEU  28  21.667   1.247  30.757
  225    HG   LEU  28           HG       LEU  28  18.902   0.537  29.843
  226   HD11  LEU  28          HD11      LEU  28  21.331  -1.242  29.701
  227   HD12  LEU  28          HD12      LEU  28  20.429  -0.610  28.324
  228   HD13  LEU  28          HD13      LEU  28  19.661  -1.742  29.436
  229   HD21  LEU  28          HD21      LEU  28  20.069   0.612  32.304
  230   HD22  LEU  28          HD22      LEU  28  20.321  -1.070  31.838
  231   HD23  LEU  28          HD23      LEU  28  18.690  -0.398  31.868
  232    H    VAL  29           H        VAL  29  22.244   3.767  29.203
  233    HA   VAL  29           HA       VAL  29  23.870   4.500  31.391
  234    HB   VAL  29           HB       VAL  29  24.008   5.712  28.634
  235   HG11  VAL  29          HG11      VAL  29  25.431   6.768  30.294
  236   HG12  VAL  29          HG12      VAL  29  26.104   5.199  30.742
  237   HG13  VAL  29          HG13      VAL  29  26.408   5.864  29.136
  238   HG21  VAL  29          HG21      VAL  29  23.908   3.358  28.281
  239   HG22  VAL  29          HG22      VAL  29  25.600   3.835  28.138
  240   HG23  VAL  29          HG23      VAL  29  25.027   3.050  29.609
  241    H    TYR  30           H        TYR  30  21.551   6.298  29.432
  242    HA   TYR  30           HA       TYR  30  22.080   8.883  30.234
  243    HB2  TYR  30           HB2      TYR  30  20.075   7.612  28.790
  244    HB3  TYR  30           HB3      TYR  30  19.216   8.361  30.131
  245    HD1  TYR  30           HD1      TYR  30  22.006   9.318  27.823
  246    HD2  TYR  30           HD2      TYR  30  18.330  10.427  29.656
  247    HE1  TYR  30           HE1      TYR  30  22.084  11.481  26.655
  248    HE2  TYR  30           HE2      TYR  30  18.397  12.593  28.492
  249    HH   TYR  30           HH       TYR  30  21.198  13.616  26.674
  250    H    LYS  31           H        LYS  31  20.131   6.426  31.874
  251    HA   LYS  31           HA       LYS  31  19.567   8.215  34.089
  252    HB2  LYS  31           HB2      LYS  31  18.941   5.272  33.986
  253    HB3  LYS  31           HB3      LYS  31  18.131   6.526  34.915
  254    HG2  LYS  31           HG2      LYS  31  17.118   7.431  32.962
  255    HG3  LYS  31           HG3      LYS  31  18.099   6.407  31.910
  256    HD2  LYS  31           HD2      LYS  31  16.168   5.190  31.921
  257    HD3  LYS  31           HD3      LYS  31  16.960   4.485  33.333
  258    HE2  LYS  31           HE2      LYS  31  15.161   6.859  33.628
  259    HE3  LYS  31           HE3      LYS  31  14.481   5.238  33.499
  260    HZ1  LYS  31           HZ1      LYS  31  16.591   5.235  35.368
  261    HZ2  LYS  31           HZ2      LYS  31  14.957   4.876  35.616
  262    HZ3  LYS  31           HZ3      LYS  31  15.504   6.469  35.765
  263    H    PHE  32           H        PHE  32  21.185   5.065  33.673
  264    HA   PHE  32           HA       PHE  32  22.169   4.734  36.223
  265    HB2  PHE  32           HB2      PHE  32  23.155   3.883  33.527
  266    HB3  PHE  32           HB3      PHE  32  24.154   3.580  34.944
  267    HD1  PHE  32           HD1      PHE  32  20.501   3.326  34.210
  268    HD2  PHE  32           HD2      PHE  32  24.022   1.404  35.635
  269    HE1  PHE  32           HE1      PHE  32  19.195   1.297  34.690
  270    HE2  PHE  32           HE2      PHE  32  22.721  -0.629  36.115
  271    HZ   PHE  32           HZ       PHE  32  20.305  -0.684  35.642
  272    H    TYR  33           H        TYR  33  23.148   7.001  33.819
  273    HA   TYR  33           HA       TYR  33  25.510   7.734  35.414
  274    HB2  TYR  33           HB2      TYR  33  25.698   7.152  32.902
  275    HB3  TYR  33           HB3      TYR  33  24.959   8.726  32.628
  276    HD1  TYR  33           HD1      TYR  33  27.991   7.083  32.759
  277    HD2  TYR  33           HD2      TYR  33  26.140  10.657  34.138
  278    HE1  TYR  33           HE1      TYR  33  30.201   8.146  32.954
  279    HE2  TYR  33           HE2      TYR  33  28.344  11.730  34.335
  280    HH   TYR  33           HH       TYR  33  31.181  10.103  34.386
  281    H    PHE  34           H        PHE  34  22.882   9.212  33.515
  282    HA   PHE  34           HA       PHE  34  23.043  11.558  35.288
  283    HB2  PHE  34           HB2      PHE  34  21.873  11.453  32.502
  284    HB3  PHE  34           HB3      PHE  34  22.136  12.889  33.486
  285    HD1  PHE  34           HD1      PHE  34  24.252  13.950  33.578
  286    HD2  PHE  34           HD2      PHE  34  23.804  10.226  31.565
  287    HE1  PHE  34           HE1      PHE  34  26.488  14.221  32.588
  288    HE2  PHE  34           HE2      PHE  34  26.040  10.491  30.572
  289    HZ   PHE  34           HZ       PHE  34  27.385  12.489  31.084
  290    H    HIS  35           H        HIS  35  21.694   9.520  36.360
  291    HA   HIS  35           HA       HIS  35  19.057   9.060  35.770
  292    HB2  HIS  35           HB2      HIS  35  20.055   7.835  37.549
  293    HB3  HIS  35           HB3      HIS  35  20.432   9.304  38.445
  294    HD1  HIS  35           HD1      HIS  35  18.972   9.512  40.414
  295    HD2  HIS  35           HD2      HIS  35  16.975   7.789  37.204
  296    HE1  HIS  35           HE1      HIS  35  16.633   9.081  41.230
  Start of MODEL    8
    1    H1   MET   1           H        MET   1   7.524   4.758   1.007
    2    HA   MET   1           HA       MET   1   6.311   3.878   3.486
    3    HB2  MET   1           HB2      MET   1   5.343   5.819   2.477
    4    HB3  MET   1           HB3      MET   1   5.173   5.005   0.928
    5    HG2  MET   1           HG2      MET   1   3.029   5.168   1.989
    6    HG3  MET   1           HG3      MET   1   3.530   3.480   1.935
    7    HE1  MET   1           HE1      MET   1   1.602   5.189   5.310
    8    HE2  MET   1           HE2      MET   1   2.509   6.460   4.490
    9    HE3  MET   1           HE3      MET   1   1.457   5.389   3.564
   10    H    ASN   2           H        ASN   2   5.860   3.026   0.047
   11    HA   ASN   2           HA       ASN   2   5.423   0.243   0.881
   12    HB2  ASN   2           HB2      ASN   2   3.535  -0.001  -0.578
   13    HB3  ASN   2           HB3      ASN   2   3.240   1.409   0.435
   14   HD21  ASN   2          HD21      ASN   2   3.299   3.458  -0.475
   15   HD22  ASN   2          HD22      ASN   2   3.229   3.707  -2.184
   16    H    ILE   3           H        ILE   3   6.642  -1.151  -0.209
   17    HA   ILE   3           HA       ILE   3   8.041  -0.208  -2.603
   18    HB   ILE   3           HB       ILE   3   8.610  -2.754  -1.099
   19   HG12  ILE   3          HG12      ILE   3   9.794  -0.008  -0.635
   20   HG13  ILE   3          HG13      ILE   3   8.745  -0.880   0.477
   21   HG21  ILE   3          HG21      ILE   3  10.801  -1.314  -2.369
   22   HG22  ILE   3          HG22      ILE   3  10.341  -3.012  -2.486
   23   HG23  ILE   3          HG23      ILE   3   9.545  -1.811  -3.503
   24   HD11  ILE   3          HD11      ILE   3  11.524  -1.659  -0.367
   25   HD12  ILE   3          HD12      ILE   3  11.016  -1.062   1.214
   26   HD13  ILE   3          HD13      ILE   3  10.468  -2.640   0.649
   27    H    THR   4           H        THR   4   5.253  -1.026  -2.700
   28    HA   THR   4           HA       THR   4   3.827  -2.499  -3.752
   29    HB   THR   4           HB       THR   4   4.684  -1.141  -5.600
   30    HG1  THR   4           HG1      THR   4   4.561  -3.838  -6.482
   31   HG21  THR   4          HG21      THR   4   6.786  -3.296  -5.833
   32   HG22  THR   4          HG22      THR   4   7.052  -1.601  -5.426
   33   HG23  THR   4          HG23      THR   4   6.491  -2.044  -7.038
   34    H    SER   5           H        SER   5   5.403  -3.910  -1.942
   35    HA   SER   5           HA       SER   5   5.253  -6.544  -3.068
   36    HB2  SER   5           HB2      SER   5   7.629  -5.404  -3.573
   37    HB3  SER   5           HB3      SER   5   7.957  -6.010  -1.950
   38    HG   SER   5           HG       SER   5   7.937  -7.364  -4.228
   39    H    GLN   6           H        GLN   6   6.472  -8.080  -1.290
   40    HA   GLN   6           HA       GLN   6   5.111  -7.404   1.207
   41    HB2  GLN   6           HB2      GLN   6   6.219  -9.991   0.122
   42    HB3  GLN   6           HB3      GLN   6   5.607  -9.828   1.762
   43    HG2  GLN   6           HG2      GLN   6   3.468  -9.859   1.106
   44    HG3  GLN   6           HG3      GLN   6   3.783  -8.871  -0.320
   45   HE21  GLN   6          HE21      GLN   6   2.607 -10.117  -1.718
   46   HE22  GLN   6          HE22      GLN   6   3.074 -11.712  -2.189
   47    H    MET   7           H        MET   7   6.369  -8.623   3.150
   48    HA   MET   7           HA       MET   7   8.947  -7.247   3.279
   49    HB2  MET   7           HB2      MET   7   7.138  -8.397   5.402
   50    HB3  MET   7           HB3      MET   7   8.751  -7.787   5.750
   51    HG2  MET   7           HG2      MET   7   8.128  -5.583   5.008
   52    HG3  MET   7           HG3      MET   7   6.543  -6.168   4.506
   53    HE1  MET   7           HE1      MET   7   5.831  -3.863   7.615
   54    HE2  MET   7           HE2      MET   7   6.791  -3.689   6.146
   55    HE3  MET   7           HE3      MET   7   5.152  -4.335   6.057
   56    H    ASN   8           H        ASN   8  10.855  -8.275   3.883
   57    HA   ASN   8           HA       ASN   8  10.891 -11.147   3.342
   58    HB2  ASN   8           HB2      ASN   8  12.452  -9.321   2.266
   59    HB3  ASN   8           HB3      ASN   8  13.373  -9.524   3.753
   60   HD21  ASN   8          HD21      ASN   8  14.921 -10.166   1.952
   61   HD22  ASN   8          HD22      ASN   8  14.982 -11.849   1.569
   62    H    LYS   9           H        LYS   9  12.710 -12.333   4.618
   63    HA   LYS   9           HA       LYS   9  11.956 -12.225   7.386
   64    HB2  LYS   9           HB2      LYS   9  12.368 -14.363   6.231
   65    HB3  LYS   9           HB3      LYS   9  14.053 -13.911   6.004
   66    HG2  LYS   9           HG2      LYS   9  14.178 -15.279   7.842
   67    HG3  LYS   9           HG3      LYS   9  14.062 -13.687   8.596
   68    HD2  LYS   9           HD2      LYS   9  11.555 -14.081   8.698
   69    HD3  LYS   9           HD3      LYS   9  11.903 -15.759   8.276
   70    HE2  LYS   9           HE2      LYS   9  11.739 -15.658  10.644
   71    HE3  LYS   9           HE3      LYS   9  13.450 -15.829  10.254
   72    HZ1  LYS   9           HZ1      LYS   9  12.753 -13.094  10.377
   73    HZ2  LYS   9           HZ2      LYS   9  13.882 -13.945  11.306
   74    HZ3  LYS   9           HZ3      LYS   9  12.267 -13.864  11.803
   75    H    THR  10           H        THR  10  14.960 -11.665   5.574
   76    HA   THR  10           HA       THR  10  16.649 -11.097   7.701
   77    HB   THR  10           HB       THR  10  16.969  -9.434   5.260
   78    HG1  THR  10           HG1      THR  10  17.158 -12.281   5.250
   79   HG21  THR  10          HG21      THR  10  18.795 -11.268   6.818
   80   HG22  THR  10          HG22      THR  10  18.725  -9.510   6.940
   81   HG23  THR  10          HG23      THR  10  19.283 -10.269   5.450
   82    H    ILE  11           H        ILE  11  14.390  -8.987   5.994
   83    HA   ILE  11           HA       ILE  11  15.146  -6.534   7.061
   84    HB   ILE  11           HB       ILE  11  12.331  -7.421   6.421
   85   HG12  ILE  11          HG12      ILE  11  13.918  -7.769   4.551
   86   HG13  ILE  11          HG13      ILE  11  12.726  -6.524   4.194
   87   HG21  ILE  11          HG21      ILE  11  12.251  -4.866   5.845
   88   HG22  ILE  11          HG22      ILE  11  12.021  -5.421   7.502
   89   HG23  ILE  11          HG23      ILE  11  13.584  -4.780   6.997
   90   HD11  ILE  11          HD11      ILE  11  14.327  -5.061   3.785
   91   HD12  ILE  11          HD12      ILE  11  15.033  -5.327   5.380
   92   HD13  ILE  11          HD13      ILE  11  15.514  -6.344   4.021
   93    H    ILE  12           H        ILE  12  12.826  -8.907   8.330
   94    HA   ILE  12           HA       ILE  12  12.006  -7.452  10.577
   95    HB   ILE  12           HB       ILE  12  12.228 -10.456  10.376
   96   HG12  ILE  12          HG12      ILE  12   9.968  -8.615   9.562
   97   HG13  ILE  12          HG13      ILE  12  10.991  -9.539   8.468
   98   HG21  ILE  12          HG21      ILE  12  10.356  -8.764  12.023
   99   HG22  ILE  12          HG22      ILE  12  10.504 -10.521  12.046
  100   HG23  ILE  12          HG23      ILE  12  11.827  -9.517  12.640
  101   HD11  ILE  12          HD11      ILE  12  10.054 -11.513  10.044
  102   HD12  ILE  12          HD12      ILE  12   8.696 -10.389  10.082
  103   HD13  ILE  12          HD13      ILE  12   9.294 -10.997   8.539
  104    H    GLY  13           H        GLY  13  14.617  -9.839  10.211
  105    HA2  GLY  13           HA2      GLY  13  15.480 -10.011  12.827
  106    HA3  GLY  13           HA3      GLY  13  16.538 -10.152  11.431
  107    H    VAL  14           H        VAL  14  17.006  -7.892  10.397
  108    HA   VAL  14           HA       VAL  14  18.624  -6.459  12.103
  109    HB   VAL  14           HB       VAL  14  17.225  -5.347   9.667
  110   HG11  VAL  14          HG11      VAL  14  19.281  -3.918   9.543
  111   HG12  VAL  14          HG12      VAL  14  18.217  -3.569  10.907
  112   HG13  VAL  14          HG13      VAL  14  19.699  -4.492  11.158
  113   HG21  VAL  14          HG21      VAL  14  18.327  -7.347   9.009
  114   HG22  VAL  14          HG22      VAL  14  19.363  -6.008   8.516
  115   HG23  VAL  14          HG23      VAL  14  19.760  -6.946   9.955
  116    H    SER  15           H        SER  15  15.256  -5.799  11.219
  117    HA   SER  15           HA       SER  15  14.893  -3.346  12.419
  118    HB2  SER  15           HB2      SER  15  13.243  -4.932  11.095
  119    HB3  SER  15           HB3      SER  15  12.740  -5.399  12.719
  120    HG   SER  15           HG       SER  15  11.607  -3.641  12.715
  121    H    VAL  16           H        VAL  16  14.558  -6.554  13.913
  122    HA   VAL  16           HA       VAL  16  13.857  -5.640  16.482
  123    HB   VAL  16           HB       VAL  16  15.365  -8.187  15.910
  124   HG11  VAL  16          HG11      VAL  16  15.078  -7.616  18.266
  125   HG12  VAL  16          HG12      VAL  16  13.336  -7.466  18.023
  126   HG13  VAL  16          HG13      VAL  16  14.123  -9.034  17.835
  127   HG21  VAL  16          HG21      VAL  16  13.698  -8.688  14.498
  128   HG22  VAL  16          HG22      VAL  16  12.727  -8.896  15.955
  129   HG23  VAL  16          HG23      VAL  16  12.683  -7.367  15.076
  130    H    LEU  17           H        LEU  17  16.995  -6.452  15.047
  131    HA   LEU  17           HA       LEU  17  18.566  -6.156  17.340
  132    HB2  LEU  17           HB2      LEU  17  19.253  -5.642  14.451
  133    HB3  LEU  17           HB3      LEU  17  20.432  -5.735  15.758
  134    HG   LEU  17           HG       LEU  17  18.643  -7.993  14.857
  135   HD11  LEU  17          HD11      LEU  17  20.115  -8.100  13.170
  136   HD12  LEU  17          HD12      LEU  17  21.199  -8.777  14.385
  137   HD13  LEU  17          HD13      LEU  17  21.284  -7.061  13.987
  138   HD21  LEU  17          HD21      LEU  17  20.695  -7.709  17.018
  139   HD22  LEU  17          HD22      LEU  17  20.392  -9.274  16.264
  140   HD23  LEU  17          HD23      LEU  17  19.086  -8.427  17.093
  141    H    SER  18           H        SER  18  17.391  -3.782  15.021
  142    HA   SER  18           HA       SER  18  18.928  -1.613  16.066
  143    HB2  SER  18           HB2      SER  18  18.189  -1.452  13.793
  144    HB3  SER  18           HB3      SER  18  16.508  -1.712  14.258
  145    HG   SER  18           HG       SER  18  17.770   0.584  14.024
  146    H    VAL  19           H        VAL  19  15.800  -2.996  16.754
  147    HA   VAL  19           HA       VAL  19  14.725  -0.827  18.221
  148    HB   VAL  19           HB       VAL  19  14.107  -3.778  18.417
  149   HG11  VAL  19          HG11      VAL  19  12.701  -1.370  19.554
  150   HG12  VAL  19          HG12      VAL  19  11.936  -2.951  19.384
  151   HG13  VAL  19          HG13      VAL  19  13.348  -2.760  20.426
  152   HG21  VAL  19          HG21      VAL  19  12.142  -2.020  17.180
  153   HG22  VAL  19          HG22      VAL  19  13.676  -2.059  16.311
  154   HG23  VAL  19          HG23      VAL  19  12.798  -3.558  16.618
  155    H    LEU  20           H        LEU  20  16.262  -3.854  19.314
  156    HA   LEU  20           HA       LEU  20  16.255  -3.222  22.051
  157    HB2  LEU  20           HB2      LEU  20  18.093  -4.940  22.181
  158    HB3  LEU  20           HB3      LEU  20  16.577  -5.474  21.459
  159    HG   LEU  20           HG       LEU  20  18.008  -4.706  19.261
  160   HD11  LEU  20          HD11      LEU  20  20.009  -6.283  20.788
  161   HD12  LEU  20          HD12      LEU  20  19.943  -4.540  21.048
  162   HD13  LEU  20          HD13      LEU  20  20.232  -5.179  19.430
  163   HD21  LEU  20          HD21      LEU  20  16.780  -6.704  19.252
  164   HD22  LEU  20          HD22      LEU  20  17.670  -7.360  20.626
  165   HD23  LEU  20          HD23      LEU  20  18.460  -7.207  19.056
  166    H    VAL  21           H        VAL  21  18.826  -2.893  19.613
  167    HA   VAL  21           HA       VAL  21  20.862  -1.906  21.171
  168    HB   VAL  21           HB       VAL  21  20.092  -1.243  18.338
  169   HG11  VAL  21          HG11      VAL  21  22.515  -0.359  18.241
  170   HG12  VAL  21          HG12      VAL  21  21.257   0.691  18.896
  171   HG13  VAL  21          HG13      VAL  21  22.349  -0.164  19.985
  172   HG21  VAL  21          HG21      VAL  21  21.258  -3.465  19.469
  173   HG22  VAL  21          HG22      VAL  21  21.337  -3.009  17.767
  174   HG23  VAL  21          HG23      VAL  21  22.639  -2.551  18.864
  175    H    VAL  22           H        VAL  22  18.576   0.135  19.338
  176    HA   VAL  22           HA       VAL  22  19.314   2.588  20.355
  177    HB   VAL  22           HB       VAL  22  16.533   1.688  19.593
  178   HG11  VAL  22          HG11      VAL  22  16.433   4.260  19.058
  179   HG12  VAL  22          HG12      VAL  22  16.084   3.657  20.679
  180   HG13  VAL  22          HG13      VAL  22  17.667   4.346  20.314
  181   HG21  VAL  22          HG21      VAL  22  17.118   1.907  17.448
  182   HG22  VAL  22          HG22      VAL  22  17.988   3.410  17.750
  183   HG23  VAL  22          HG23      VAL  22  18.786   1.860  18.018
  184    H    SER  23           H        SER  23  16.750   0.448  21.599
  185    HA   SER  23           HA       SER  23  15.917   1.984  23.741
  186    HB2  SER  23           HB2      SER  23  14.884  -0.172  22.923
  187    HB3  SER  23           HB3      SER  23  16.150  -1.031  23.801
  188    HG   SER  23           HG       SER  23  14.830  -0.866  25.425
  189    H    VAL  24           H        VAL  24  18.457  -0.510  23.715
  190    HA   VAL  24           HA       VAL  24  19.226  -0.404  26.364
  191    HB   VAL  24           HB       VAL  24  21.015  -0.792  23.960
  192   HG11  VAL  24          HG11      VAL  24  21.532  -0.826  26.845
  193   HG12  VAL  24          HG12      VAL  24  22.111  -2.251  25.979
  194   HG13  VAL  24          HG13      VAL  24  22.648  -0.642  25.492
  195   HG21  VAL  24          HG21      VAL  24  18.907  -2.363  24.937
  196   HG22  VAL  24          HG22      VAL  24  20.117  -2.813  23.734
  197   HG23  VAL  24          HG23      VAL  24  20.391  -3.172  25.439
  198    H    VAL  25           H        VAL  25  20.584   1.494  23.668
  199    HA   VAL  25           HA       VAL  25  22.430   2.994  25.060
  200    HB   VAL  25           HB       VAL  25  20.706   3.904  22.752
  201   HG11  VAL  25          HG11      VAL  25  23.255   5.049  23.881
  202   HG12  VAL  25          HG12      VAL  25  22.559   5.505  22.325
  203   HG13  VAL  25          HG13      VAL  25  21.674   5.827  23.816
  204   HG21  VAL  25          HG21      VAL  25  22.117   2.852  21.338
  205   HG22  VAL  25          HG22      VAL  25  23.529   3.149  22.353
  206   HG23  VAL  25          HG23      VAL  25  22.425   1.828  22.740
  207    H    ALA  26           H        ALA  26  19.048   3.899  24.382
  208    HA   ALA  26           HA       ALA  26  18.958   6.310  25.715
  209    HB1  ALA  26           HB1      ALA  26  16.656   6.180  25.595
  210    HB2  ALA  26           HB2      ALA  26  17.152   5.061  24.325
  211    HB3  ALA  26           HB3      ALA  26  16.633   4.441  25.892
  212    H    VAL  27           H        VAL  27  18.661   3.051  27.036
  213    HA   VAL  27           HA       VAL  27  17.987   3.898  29.678
  214    HB   VAL  27           HB       VAL  27  19.117   1.259  28.733
  215   HG11  VAL  27          HG11      VAL  27  17.607   0.835  31.015
  216   HG12  VAL  27          HG12      VAL  27  19.369   0.820  30.904
  217   HG13  VAL  27          HG13      VAL  27  18.526   2.297  31.375
  218   HG21  VAL  27          HG21      VAL  27  16.875   2.073  27.803
  219   HG22  VAL  27          HG22      VAL  27  16.920   0.471  28.538
  220   HG23  VAL  27          HG23      VAL  27  16.256   1.835  29.437
  221    H    LEU  28           H        LEU  28  20.989   2.772  28.143
  222    HA   LEU  28           HA       LEU  28  22.679   2.744  30.309
  223    HB2  LEU  28           HB2      LEU  28  23.068   3.361  27.419
  224    HB3  LEU  28           HB3      LEU  28  24.410   3.611  28.534
  225    HG   LEU  28           HG       LEU  28  23.010   0.969  28.463
  226   HD11  LEU  28          HD11      LEU  28  24.770   0.273  26.791
  227   HD12  LEU  28          HD12      LEU  28  25.023   1.990  26.477
  228   HD13  LEU  28          HD13      LEU  28  23.449   1.259  26.162
  229   HD21  LEU  28          HD21      LEU  28  25.928   1.206  28.715
  230   HD22  LEU  28          HD22      LEU  28  24.780   0.243  29.644
  231   HD23  LEU  28          HD23      LEU  28  24.999   1.953  30.015
  232    H    VAL  29           H        VAL  29  21.937   5.531  28.222
  233    HA   VAL  29           HA       VAL  29  23.516   7.378  29.676
  234    HB   VAL  29           HB       VAL  29  21.104   8.031  27.983
  235   HG11  VAL  29          HG11      VAL  29  23.591   9.643  28.536
  236   HG12  VAL  29          HG12      VAL  29  22.154  10.165  27.655
  237   HG13  VAL  29          HG13      VAL  29  22.061   9.848  29.388
  238   HG21  VAL  29          HG21      VAL  29  22.572   6.583  26.712
  239   HG22  VAL  29          HG22      VAL  29  22.691   8.235  26.105
  240   HG23  VAL  29          HG23      VAL  29  23.964   7.580  27.134
  241    H    TYR  30           H        TYR  30  20.068   6.565  29.772
  242    HA   TYR  30           HA       TYR  30  19.114   8.493  31.474
  243    HB2  TYR  30           HB2      TYR  30  18.158   6.092  30.445
  244    HB3  TYR  30           HB3      TYR  30  18.066   5.874  32.189
  245    HD1  TYR  30           HD1      TYR  30  17.066   8.180  29.448
  246    HD2  TYR  30           HD2      TYR  30  16.312   6.828  33.411
  247    HE1  TYR  30           HE1      TYR  30  14.987   9.494  29.494
  248    HE2  TYR  30           HE2      TYR  30  14.231   8.138  33.468
  249    HH   TYR  30           HH       TYR  30  13.198  10.069  30.669
  250    H    LYS  31           H        LYS  31  20.852   5.533  32.310
  251    HA   LYS  31           HA       LYS  31  20.716   6.129  35.147
  252    HB2  LYS  31           HB2      LYS  31  22.350   3.951  33.858
  253    HB3  LYS  31           HB3      LYS  31  21.726   4.015  35.502
  254    HG2  LYS  31           HG2      LYS  31  19.501   3.634  34.759
  255    HG3  LYS  31           HG3      LYS  31  19.965   3.850  33.070
  256    HD2  LYS  31           HD2      LYS  31  20.550   1.708  32.886
  257    HD3  LYS  31           HD3      LYS  31  21.562   1.801  34.329
  258    HE2  LYS  31           HE2      LYS  31  19.763   0.125  34.529
  259    HE3  LYS  31           HE3      LYS  31  19.648   1.397  35.745
  260    HZ1  LYS  31           HZ1      LYS  31  17.616   1.861  35.043
  261    HZ2  LYS  31           HZ2      LYS  31  17.701   0.593  33.927
  262    HZ3  LYS  31           HZ3      LYS  31  18.173   2.152  33.472
  263    H    PHE  32           H        PHE  32  23.279   5.737  32.702
  264    HA   PHE  32           HA       PHE  32  25.473   6.382  34.230
  265    HB2  PHE  32           HB2      PHE  32  24.818   6.715  31.334
  266    HB3  PHE  32           HB3      PHE  32  26.291   7.452  31.955
  267    HD1  PHE  32           HD1      PHE  32  24.629   4.209  32.728
  268    HD2  PHE  32           HD2      PHE  32  28.077   6.200  31.226
  269    HE1  PHE  32           HE1      PHE  32  25.787   2.047  32.532
  270    HE2  PHE  32           HE2      PHE  32  29.241   4.041  31.026
  271    HZ   PHE  32           HZ       PHE  32  28.095   1.961  31.678
  272    H    TYR  33           H        TYR  33  22.936   8.450  33.130
  273    HA   TYR  33           HA       TYR  33  24.429  10.815  34.047
  274    HB2  TYR  33           HB2      TYR  33  22.170  10.503  32.079
  275    HB3  TYR  33           HB3      TYR  33  22.570  12.064  32.787
  276    HD1  TYR  33           HD1      TYR  33  23.873  13.429  31.475
  277    HD2  TYR  33           HD2      TYR  33  24.417   9.218  31.204
  278    HE1  TYR  33           HE1      TYR  33  25.602  13.768  29.759
  279    HE2  TYR  33           HE2      TYR  33  26.148   9.546  29.488
  280    HH   TYR  33           HH       TYR  33  26.536  12.159  27.744
  281    H    PHE  34           H        PHE  34  21.123   9.480  34.004
  282    HA   PHE  34           HA       PHE  34  20.599  10.909  36.522
  283    HB2  PHE  34           HB2      PHE  34  18.526   9.695  34.696
  284    HB3  PHE  34           HB3      PHE  34  18.277  10.867  35.986
  285    HD1  PHE  34           HD1      PHE  34  18.548  13.190  35.610
  286    HD2  PHE  34           HD2      PHE  34  19.624  10.389  32.592
  287    HE1  PHE  34           HE1      PHE  34  18.746  15.025  33.983
  288    HE2  PHE  34           HE2      PHE  34  19.825  12.219  30.960
  289    HZ   PHE  34           HZ       PHE  34  19.387  14.541  31.655
  290    H    HIS  35           H        HIS  35  22.102   8.675  36.817
  291    HA   HIS  35           HA       HIS  35  20.922   6.212  37.080
  292    HB2  HIS  35           HB2      HIS  35  23.352   7.226  37.726
  293    HB3  HIS  35           HB3      HIS  35  22.675   6.978  39.333
  294    HD1  HIS  35           HD1      HIS  35  25.066   5.332  38.014
  295    HD2  HIS  35           HD2      HIS  35  21.116   4.096  38.377
  296    HE1  HIS  35           HE1      HIS  35  25.138   2.820  37.937
  Start of MODEL    9
    1    H1   MET   1           H        MET   1   9.818   1.732   2.066
    2    HA   MET   1           HA       MET   1   8.111   0.701   4.232
    3    HB2  MET   1           HB2      MET   1   6.258   2.077   3.327
    4    HB3  MET   1           HB3      MET   1   7.586   3.044   3.954
    5    HG2  MET   1           HG2      MET   1   7.332   4.164   2.031
    6    HG3  MET   1           HG3      MET   1   8.322   2.861   1.378
    7    HE1  MET   1           HE1      MET   1   5.369   4.614  -0.466
    8    HE2  MET   1           HE2      MET   1   7.125   4.496  -0.351
    9    HE3  MET   1           HE3      MET   1   6.247   3.495  -1.509
   10    H    ASN   2           H        ASN   2   6.672  -0.881   3.693
   11    HA   ASN   2           HA       ASN   2   6.529  -1.670   0.862
   12    HB2  ASN   2           HB2      ASN   2   6.573  -3.727   3.051
   13    HB3  ASN   2           HB3      ASN   2   6.931  -3.925   1.338
   14   HD21  ASN   2          HD21      ASN   2   8.935  -3.211   0.539
   15   HD22  ASN   2          HD22      ASN   2  10.290  -2.990   1.588
   16    H    ILE   3           H        ILE   3   4.549  -0.192   1.519
   17    HA   ILE   3           HA       ILE   3   2.434  -1.077   3.040
   18    HB   ILE   3           HB       ILE   3   2.230   0.330   0.375
   19   HG12  ILE   3          HG12      ILE   3   2.443   1.444   3.181
   20   HG13  ILE   3          HG13      ILE   3   3.700   1.508   1.951
   21   HG21  ILE   3          HG21      ILE   3   0.100  -0.590   1.092
   22   HG22  ILE   3          HG22      ILE   3   0.286   0.165   2.673
   23   HG23  ILE   3          HG23      ILE   3   0.089   1.167   1.235
   24   HD11  ILE   3          HD11      ILE   3   2.873   3.540   1.542
   25   HD12  ILE   3          HD12      ILE   3   1.624   2.671   0.650
   26   HD13  ILE   3          HD13      ILE   3   1.329   3.178   2.313
   27    H    THR   4           H        THR   4   2.853  -1.653  -0.457
   28    HA   THR   4           HA       THR   4   1.133  -4.031  -0.169
   29    HB   THR   4           HB       THR   4   1.029  -3.563  -2.828
   30    HG1  THR   4           HG1      THR   4   1.800  -1.610  -3.145
   31   HG21  THR   4          HG21      THR   4  -0.728  -2.349  -0.693
   32   HG22  THR   4          HG22      THR   4  -0.910  -3.937  -1.439
   33   HG23  THR   4          HG23      THR   4  -1.165  -2.479  -2.396
   34    H    SER   5           H        SER   5   4.170  -2.779  -1.219
   35    HA   SER   5           HA       SER   5   4.896  -4.986  -2.890
   36    HB2  SER   5           HB2      SER   5   5.933  -2.781  -3.180
   37    HB3  SER   5           HB3      SER   5   6.630  -2.887  -1.563
   38    HG   SER   5           HG       SER   5   8.146  -4.145  -2.307
   39    H    GLN   6           H        GLN   6   6.904  -6.291  -2.377
   40    HA   GLN   6           HA       GLN   6   6.809  -7.174   0.433
   41    HB2  GLN   6           HB2      GLN   6   7.271  -8.811  -2.065
   42    HB3  GLN   6           HB3      GLN   6   7.437  -9.429  -0.427
   43    HG2  GLN   6           HG2      GLN   6   4.878  -8.168  -1.309
   44    HG3  GLN   6           HG3      GLN   6   5.246  -9.839  -1.734
   45   HE21  GLN   6          HE21      GLN   6   3.067  -9.333  -0.230
   46   HE22  GLN   6          HE22      GLN   6   3.315  -9.860   1.396
   47    H    MET   7           H        MET   7   8.772  -7.971   1.355
   48    HA   MET   7           HA       MET   7  11.249  -7.519  -0.084
   49    HB2  MET   7           HB2      MET   7  10.289  -5.389   1.274
   50    HB3  MET   7           HB3      MET   7  11.192  -6.184   2.556
   51    HG2  MET   7           HG2      MET   7  12.627  -4.595   1.540
   52    HG3  MET   7           HG3      MET   7  13.177  -6.197   1.057
   53    HE1  MET   7           HE1      MET   7  13.731  -3.127  -0.553
   54    HE2  MET   7           HE2      MET   7  12.349  -2.748  -1.580
   55    HE3  MET   7           HE3      MET   7  12.155  -2.808   0.173
   56    H    ASN   8           H        ASN   8  13.158  -8.182   1.234
   57    HA   ASN   8           HA       ASN   8  12.771 -10.731   2.330
   58    HB2  ASN   8           HB2      ASN   8  15.073  -8.817   2.240
   59    HB3  ASN   8           HB3      ASN   8  15.191 -10.258   3.246
   60   HD21  ASN   8          HD21      ASN   8  15.545  -8.990   0.161
   61   HD22  ASN   8          HD22      ASN   8  15.746 -10.472  -0.703
   62    H    LYS   9           H        LYS   9  11.636 -11.082   4.129
   63    HA   LYS   9           HA       LYS   9  11.249  -9.273   6.225
   64    HB2  LYS   9           HB2      LYS   9  10.041 -11.532   5.583
   65    HB3  LYS   9           HB3      LYS   9  11.166 -12.214   6.750
   66    HG2  LYS   9           HG2      LYS   9   9.228 -11.771   7.973
   67    HG3  LYS   9           HG3      LYS   9  10.317 -10.437   8.364
   68    HD2  LYS   9           HD2      LYS   9   9.164  -9.112   6.561
   69    HD3  LYS   9           HD3      LYS   9   7.976 -10.413   6.467
   70    HE2  LYS   9           HE2      LYS   9   7.208  -8.579   7.899
   71    HE3  LYS   9           HE3      LYS   9   7.396 -10.080   8.803
   72    HZ1  LYS   9           HZ1      LYS   9   9.076  -9.241  10.020
   73    HZ2  LYS   9           HZ2      LYS   9   8.374  -7.756   9.620
   74    HZ3  LYS   9           HZ3      LYS   9   9.709  -8.321   8.750
   75    H    THR  10           H        THR  10  13.839 -11.477   5.572
   76    HA   THR  10           HA       THR  10  14.916 -11.848   8.111
   77    HB   THR  10           HB       THR  10  16.839 -11.414   5.891
   78    HG1  THR  10           HG1      THR  10  14.894 -13.501   5.881
   79   HG21  THR  10          HG21      THR  10  17.575 -12.367   8.006
   80   HG22  THR  10          HG22      THR  10  17.708 -13.568   6.721
   81   HG23  THR  10          HG23      THR  10  16.372 -13.648   7.869
   82    H    ILE  11           H        ILE  11  15.823  -9.368   5.709
   83    HA   ILE  11           HA       ILE  11  17.631  -7.961   7.271
   84    HB   ILE  11           HB       ILE  11  15.751  -6.789   5.218
   85   HG12  ILE  11          HG12      ILE  11  18.575  -7.778   4.805
   86   HG13  ILE  11          HG13      ILE  11  17.155  -8.765   4.478
   87   HG21  ILE  11          HG21      ILE  11  17.866  -5.661   6.847
   88   HG22  ILE  11          HG22      ILE  11  18.169  -5.448   5.123
   89   HG23  ILE  11          HG23      ILE  11  16.668  -4.855   5.834
   90   HD11  ILE  11          HD11      ILE  11  16.533  -7.498   2.661
   91   HD12  ILE  11          HD12      ILE  11  17.418  -6.077   3.216
   92   HD13  ILE  11          HD13      ILE  11  18.292  -7.459   2.556
   93    H    ILE  12           H        ILE  12  14.116  -7.625   7.059
   94    HA   ILE  12           HA       ILE  12  13.819  -5.325   8.615
   95    HB   ILE  12           HB       ILE  12  11.929  -7.674   8.422
   96   HG12  ILE  12          HG12      ILE  12  12.449  -6.764   6.224
   97   HG13  ILE  12          HG13      ILE  12  10.810  -6.312   6.681
   98   HG21  ILE  12          HG21      ILE  12  11.427  -6.222  10.317
   99   HG22  ILE  12          HG22      ILE  12  11.420  -4.819   9.249
  100   HG23  ILE  12          HG23      ILE  12  10.196  -6.075   9.063
  101   HD11  ILE  12          HD11      ILE  12  11.678  -4.096   7.372
  102   HD12  ILE  12          HD12      ILE  12  13.256  -4.567   6.739
  103   HD13  ILE  12          HD13      ILE  12  11.873  -4.439   5.653
  104    H    GLY  13           H        GLY  13  13.775  -8.748   9.599
  105    HA2  GLY  13           HA2      GLY  13  13.245  -8.453  12.293
  106    HA3  GLY  13           HA3      GLY  13  14.251  -9.728  11.622
  107    H    VAL  14           H        VAL  14  16.536  -8.856  10.975
  108    HA   VAL  14           HA       VAL  14  17.940  -8.275  13.271
  109    HB   VAL  14           HB       VAL  14  18.790  -7.496  10.479
  110   HG11  VAL  14          HG11      VAL  14  20.129  -6.581  12.383
  111   HG12  VAL  14          HG12      VAL  14  20.492  -8.244  12.850
  112   HG13  VAL  14          HG13      VAL  14  21.033  -7.627  11.288
  113   HG21  VAL  14          HG21      VAL  14  18.264 -10.073  11.610
  114   HG22  VAL  14          HG22      VAL  14  18.805  -9.662   9.983
  115   HG23  VAL  14          HG23      VAL  14  19.987  -9.917  11.267
  116    H    SER  15           H        SER  15  16.768  -6.015  10.802
  117    HA   SER  15           HA       SER  15  17.921  -3.673  11.676
  118    HB2  SER  15           HB2      SER  15  16.299  -4.165   9.672
  119    HB3  SER  15           HB3      SER  15  15.050  -3.652  10.807
  120    HG   SER  15           HG       SER  15  15.926  -1.932   9.509
  121    H    VAL  16           H        VAL  16  14.866  -5.118  12.777
  122    HA   VAL  16           HA       VAL  16  14.211  -3.110  14.638
  123    HB   VAL  16           HB       VAL  16  13.455  -6.017  14.896
  124   HG11  VAL  16          HG11      VAL  16  11.315  -4.886  15.743
  125   HG12  VAL  16          HG12      VAL  16  12.730  -4.867  16.797
  126   HG13  VAL  16          HG13      VAL  16  12.298  -3.428  15.873
  127   HG21  VAL  16          HG21      VAL  16  11.367  -4.804  13.600
  128   HG22  VAL  16          HG22      VAL  16  12.773  -4.084  12.816
  129   HG23  VAL  16          HG23      VAL  16  12.579  -5.837  12.843
  130    H    LEU  17           H        LEU  17  15.931  -6.193  15.019
  131    HA   LEU  17           HA       LEU  17  16.269  -6.226  17.754
  132    HB2  LEU  17           HB2      LEU  17  17.969  -7.193  15.489
  133    HB3  LEU  17           HB3      LEU  17  18.530  -7.350  17.153
  134    HG   LEU  17           HG       LEU  17  15.974  -8.538  16.076
  135   HD11  LEU  17          HD11      LEU  17  17.042 -10.529  15.739
  136   HD12  LEU  17          HD12      LEU  17  18.326 -10.166  16.892
  137   HD13  LEU  17          HD13      LEU  17  18.332  -9.409  15.299
  138   HD21  LEU  17          HD21      LEU  17  17.105  -9.664  18.497
  139   HD22  LEU  17          HD22      LEU  17  15.462  -9.113  18.166
  140   HD23  LEU  17          HD23      LEU  17  16.692  -7.960  18.684
  141    H    SER  18           H        SER  18  18.438  -4.745  15.347
  142    HA   SER  18           HA       SER  18  20.290  -3.693  17.162
  143    HB2  SER  18           HB2      SER  18  19.914  -3.653  14.377
  144    HB3  SER  18           HB3      SER  18  19.970  -1.961  14.870
  145    HG   SER  18           HG       SER  18  21.900  -3.963  15.441
  146    H    VAL  19           H        VAL  19  17.329  -2.302  15.812
  147    HA   VAL  19           HA       VAL  19  17.528   0.288  16.765
  148    HB   VAL  19           HB       VAL  19  15.036  -1.404  16.527
  149   HG11  VAL  19          HG11      VAL  19  14.448   0.425  17.889
  150   HG12  VAL  19          HG12      VAL  19  15.422   1.549  16.939
  151   HG13  VAL  19          HG13      VAL  19  13.940   0.873  16.260
  152   HG21  VAL  19          HG21      VAL  19  15.138  -1.099  14.325
  153   HG22  VAL  19          HG22      VAL  19  15.433   0.630  14.513
  154   HG23  VAL  19          HG23      VAL  19  16.783  -0.504  14.556
  155    H    LEU  20           H        LEU  20  15.728  -2.357  18.352
  156    HA   LEU  20           HA       LEU  20  15.145  -1.074  20.722
  157    HB2  LEU  20           HB2      LEU  20  15.626  -3.949  20.042
  158    HB3  LEU  20           HB3      LEU  20  15.294  -3.468  21.704
  159    HG   LEU  20           HG       LEU  20  13.351  -4.314  20.239
  160   HD11  LEU  20          HD11      LEU  20  13.023  -3.353  22.429
  161   HD12  LEU  20          HD12      LEU  20  11.796  -2.739  21.322
  162   HD13  LEU  20          HD13      LEU  20  13.166  -1.723  21.769
  163   HD21  LEU  20          HD21      LEU  20  13.541  -1.473  19.244
  164   HD22  LEU  20          HD22      LEU  20  12.246  -2.619  18.899
  165   HD23  LEU  20          HD23      LEU  20  13.873  -2.916  18.287
  166    H    VAL  21           H        VAL  21  18.060  -2.901  19.874
  167    HA   VAL  21           HA       VAL  21  19.351  -2.919  22.319
  168    HB   VAL  21           HB       VAL  21  20.580  -2.603  19.578
  169   HG11  VAL  21          HG11      VAL  21  22.338  -2.021  20.941
  170   HG12  VAL  21          HG12      VAL  21  21.776  -3.026  22.278
  171   HG13  VAL  21          HG13      VAL  21  22.531  -3.772  20.869
  172   HG21  VAL  21          HG21      VAL  21  19.110  -4.688  20.503
  173   HG22  VAL  21          HG22      VAL  21  20.391  -4.827  19.299
  174   HG23  VAL  21          HG23      VAL  21  20.734  -5.171  20.994
  175    H    VAL  22           H        VAL  22  20.026  -0.569  19.718
  176    HA   VAL  22           HA       VAL  22  21.566   1.190  21.186
  177    HB   VAL  22           HB       VAL  22  19.659   1.870  18.943
  178   HG11  VAL  22          HG11      VAL  22  21.896   3.421  20.221
  179   HG12  VAL  22          HG12      VAL  22  21.293   3.779  18.602
  180   HG13  VAL  22          HG13      VAL  22  20.217   3.908  19.993
  181   HG21  VAL  22          HG21      VAL  22  21.059   0.510  17.820
  182   HG22  VAL  22          HG22      VAL  22  22.139   1.905  17.861
  183   HG23  VAL  22          HG23      VAL  22  22.318   0.616  19.051
  184    H    SER  23           H        SER  23  18.055   1.382  20.607
  185    HA   SER  23           HA       SER  23  17.494   3.671  22.037
  186    HB2  SER  23           HB2      SER  23  15.842   2.447  20.658
  187    HB3  SER  23           HB3      SER  23  15.770   1.185  21.888
  188    HG   SER  23           HG       SER  23  14.943   3.883  22.093
  189    H    VAL  24           H        VAL  24  17.171   0.347  23.299
  190    HA   VAL  24           HA       VAL  24  16.672   0.972  25.942
  191    HB   VAL  24           HB       VAL  24  18.234  -1.388  24.883
  192   HG11  VAL  24          HG11      VAL  24  16.877  -2.136  27.189
  193   HG12  VAL  24          HG12      VAL  24  18.615  -1.879  27.021
  194   HG13  VAL  24          HG13      VAL  24  17.578  -0.565  27.577
  195   HG21  VAL  24          HG21      VAL  24  16.243  -2.502  24.580
  196   HG22  VAL  24          HG22      VAL  24  15.372  -1.482  25.724
  197   HG23  VAL  24          HG23      VAL  24  15.785  -0.860  24.127
  198    H    VAL  25           H        VAL  25  19.846   0.237  24.491
  199    HA   VAL  25           HA       VAL  25  21.445   0.601  26.704
  200    HB   VAL  25           HB       VAL  25  22.078   1.342  23.845
  201   HG11  VAL  25          HG11      VAL  25  23.655   2.436  25.278
  202   HG12  VAL  25          HG12      VAL  25  23.883   0.968  26.230
  203   HG13  VAL  25          HG13      VAL  25  24.446   1.034  24.559
  204   HG21  VAL  25          HG21      VAL  25  22.524  -0.823  23.438
  205   HG22  VAL  25          HG22      VAL  25  23.213  -1.089  25.039
  206   HG23  VAL  25          HG23      VAL  25  21.464  -1.118  24.816
  207    H    ALA  26           H        ALA  26  20.565   3.078  24.296
  208    HA   ALA  26           HA       ALA  26  21.858   5.250  25.397
  209    HB1  ALA  26           HB1      ALA  26  20.970   5.944  23.460
  210    HB2  ALA  26           HB2      ALA  26  19.585   4.859  23.591
  211    HB3  ALA  26           HB3      ALA  26  19.582   6.401  24.447
  212    H    VAL  27           H        VAL  27  18.741   3.855  26.288
  213    HA   VAL  27           HA       VAL  27  18.050   5.915  28.139
  214    HB   VAL  27           HB       VAL  27  17.003   3.085  27.979
  215   HG11  VAL  27          HG11      VAL  27  14.975   4.234  29.048
  216   HG12  VAL  27          HG12      VAL  27  16.369   3.897  30.077
  217   HG13  VAL  27          HG13      VAL  27  16.097   5.529  29.464
  218   HG21  VAL  27          HG21      VAL  27  15.131   4.941  26.993
  219   HG22  VAL  27          HG22      VAL  27  16.671   5.322  26.222
  220   HG23  VAL  27          HG23      VAL  27  15.998   3.697  26.094
  221    H    LEU  28           H        LEU  28  19.375   2.636  28.487
  222    HA   LEU  28           HA       LEU  28  19.468   2.421  31.224
  223    HB2  LEU  28           HB2      LEU  28  21.303   1.431  29.073
  224    HB3  LEU  28           HB3      LEU  28  21.640   1.097  30.771
  225    HG   LEU  28           HG       LEU  28  18.985   0.365  29.600
  226   HD11  LEU  28          HD11      LEU  28  20.179  -1.955  29.338
  227   HD12  LEU  28          HD12      LEU  28  21.610  -0.951  29.101
  228   HD13  LEU  28          HD13      LEU  28  20.217  -0.766  28.035
  229   HD21  LEU  28          HD21      LEU  28  19.004   0.067  31.904
  230   HD22  LEU  28          HD22      LEU  28  20.680  -0.483  31.921
  231   HD23  LEU  28          HD23      LEU  28  19.411  -1.536  31.292
  232    H    VAL  29           H        VAL  29  21.951   3.856  29.115
  233    HA   VAL  29           HA       VAL  29  23.669   4.643  31.223
  234    HB   VAL  29           HB       VAL  29  23.485   5.919  28.495
  235   HG11  VAL  29          HG11      VAL  29  25.814   6.469  28.832
  236   HG12  VAL  29          HG12      VAL  29  24.860   7.092  30.180
  237   HG13  VAL  29          HG13      VAL  29  25.820   5.625  30.381
  238   HG21  VAL  29          HG21      VAL  29  25.179   4.275  27.795
  239   HG22  VAL  29          HG22      VAL  29  25.007   3.457  29.348
  240   HG23  VAL  29          HG23      VAL  29  23.648   3.513  28.226
  241    H    TYR  30           H        TYR  30  21.159   6.359  29.402
  242    HA   TYR  30           HA       TYR  30  21.484   8.919  30.332
  243    HB2  TYR  30           HB2      TYR  30  19.528   7.550  28.908
  244    HB3  TYR  30           HB3      TYR  30  18.671   8.171  30.315
  245    HD1  TYR  30           HD1      TYR  30  20.860   9.200  27.494
  246    HD2  TYR  30           HD2      TYR  30  18.022  10.423  30.419
  247    HE1  TYR  30           HE1      TYR  30  20.716  11.409  26.422
  248    HE2  TYR  30           HE2      TYR  30  17.870  12.635  29.354
  249    HH   TYR  30           HH       TYR  30  19.948  13.930  27.501
  250    H    LYS  31           H        LYS  31  19.865   6.220  31.938
  251    HA   LYS  31           HA       LYS  31  19.205   7.851  34.245
  252    HB2  LYS  31           HB2      LYS  31  18.903   4.862  34.031
  253    HB3  LYS  31           HB3      LYS  31  18.012   5.974  35.062
  254    HG2  LYS  31           HG2      LYS  31  16.799   6.845  33.215
  255    HG3  LYS  31           HG3      LYS  31  17.834   6.002  32.060
  256    HD2  LYS  31           HD2      LYS  31  16.057   4.568  32.089
  257    HD3  LYS  31           HD3      LYS  31  17.001   3.885  33.415
  258    HE2  LYS  31           HE2      LYS  31  15.615   5.598  34.849
  259    HE3  LYS  31           HE3      LYS  31  14.493   5.495  33.493
  260    HZ1  LYS  31           HZ1      LYS  31  13.765   3.840  34.905
  261    HZ2  LYS  31           HZ2      LYS  31  15.325   3.381  35.369
  262    HZ3  LYS  31           HZ3      LYS  31  14.745   2.972  33.834
  263    H    PHE  32           H        PHE  32  21.183   4.959  33.597
  264    HA   PHE  32           HA       PHE  32  22.292   4.594  36.088
  265    HB2  PHE  32           HB2      PHE  32  23.255   4.053  33.312
  266    HB3  PHE  32           HB3      PHE  32  24.380   3.842  34.649
  267    HD1  PHE  32           HD1      PHE  32  20.741   3.108  34.333
  268    HD2  PHE  32           HD2      PHE  32  24.659   1.587  35.000
  269    HE1  PHE  32           HE1      PHE  32  19.797   0.878  34.769
  270    HE2  PHE  32           HE2      PHE  32  23.722  -0.646  35.435
  271    HZ   PHE  32           HZ       PHE  32  21.288  -1.003  35.320
  272    H    TYR  33           H        TYR  33  22.899   7.119  33.812
  273    HA   TYR  33           HA       TYR  33  25.161   8.076  35.437
  274    HB2  TYR  33           HB2      TYR  33  24.434   8.515  32.547
  275    HB3  TYR  33           HB3      TYR  33  25.570   9.568  33.383
  276    HD1  TYR  33           HD1      TYR  33  27.790   9.092  33.021
  277    HD2  TYR  33           HD2      TYR  33  24.995   5.884  33.035
  278    HE1  TYR  33           HE1      TYR  33  29.612   7.511  32.544
  279    HE2  TYR  33           HE2      TYR  33  26.809   4.293  32.560
  280    HH   TYR  33           HH       TYR  33  29.699   4.588  33.082
  281    H    PHE  34           H        PHE  34  22.386   9.306  33.565
  282    HA   PHE  34           HA       PHE  34  22.264  11.599  35.403
  283    HB2  PHE  34           HB2      PHE  34  20.885  11.395  32.728
  284    HB3  PHE  34           HB3      PHE  34  21.189  12.843  33.682
  285    HD1  PHE  34           HD1      PHE  34  22.747  10.269  31.560
  286    HD2  PHE  34           HD2      PHE  34  23.254  14.001  33.543
  287    HE1  PHE  34           HE1      PHE  34  24.837  10.642  30.317
  288    HE2  PHE  34           HE2      PHE  34  25.344  14.380  32.303
  289    HZ   PHE  34           HZ       PHE  34  26.138  12.700  30.686
  290    H    HIS  35           H        HIS  35  21.271   9.301  36.440
  291    HA   HIS  35           HA       HIS  35  18.670   8.560  35.978
  292    HB2  HIS  35           HB2      HIS  35  20.511   7.927  37.864
  293    HB3  HIS  35           HB3      HIS  35  19.372   8.856  38.834
  294    HD1  HIS  35           HD1      HIS  35  19.712   5.881  39.384
  295    HD2  HIS  35           HD2      HIS  35  16.873   7.423  36.771
  296    HE1  HIS  35           HE1      HIS  35  17.916   4.127  39.231
  Start of MODEL   10
    1    H1   MET   1           H        MET   1   4.069   3.695  -1.654
    2    HA   MET   1           HA       MET   1   5.861   1.951  -3.079
    3    HB2  MET   1           HB2      MET   1   6.165   4.523  -1.568
    4    HB3  MET   1           HB3      MET   1   7.588   3.594  -2.018
    5    HG2  MET   1           HG2      MET   1   7.423   5.020  -3.791
    6    HG3  MET   1           HG3      MET   1   6.511   3.637  -4.392
    7    HE1  MET   1           HE1      MET   1   5.233   4.228  -5.925
    8    HE2  MET   1           HE2      MET   1   3.580   4.303  -5.314
    9    HE3  MET   1           HE3      MET   1   4.281   5.697  -6.138
   10    H    ASN   2           H        ASN   2   6.933   0.275  -2.269
   11    HA   ASN   2           HA       ASN   2   6.693  -0.393   0.517
   12    HB2  ASN   2           HB2      ASN   2   7.911  -1.732  -1.880
   13    HB3  ASN   2           HB3      ASN   2   8.232  -2.344  -0.260
   14   HD21  ASN   2          HD21      ASN   2   7.117  -4.151  -1.630
   15   HD22  ASN   2          HD22      ASN   2   5.415  -4.295  -1.369
   16    H    ILE   3           H        ILE   3   7.912   1.835   0.816
   17    HA   ILE   3           HA       ILE   3  10.622   2.142   0.448
   18    HB   ILE   3           HB       ILE   3   9.059   3.001   2.886
   19   HG12  ILE   3          HG12      ILE   3   9.587   4.439   0.275
   20   HG13  ILE   3          HG13      ILE   3   8.039   3.779   0.791
   21   HG21  ILE   3          HG21      ILE   3  10.764   4.730   3.120
   22   HG22  ILE   3          HG22      ILE   3  11.475   3.120   3.211
   23   HG23  ILE   3          HG23      ILE   3  11.632   4.071   1.734
   24   HD11  ILE   3          HD11      ILE   3   8.381   5.351   2.841
   25   HD12  ILE   3          HD12      ILE   3   9.486   6.193   1.753
   26   HD13  ILE   3          HD13      ILE   3   7.791   5.993   1.309
   27    H    THR   4           H        THR   4   9.065   0.814   3.372
   28    HA   THR   4           HA       THR   4  11.585  -0.606   3.945
   29    HB   THR   4           HB       THR   4  10.351  -0.630   6.349
   30    HG1  THR   4           HG1      THR   4   9.528   1.544   6.633
   31   HG21  THR   4          HG21      THR   4  11.818   1.286   6.949
   32   HG22  THR   4          HG22      THR   4  12.130   1.538   5.231
   33   HG23  THR   4          HG23      THR   4  12.644   0.043   6.011
   34    H    SER   5           H        SER   5   8.181  -0.854   3.464
   35    HA   SER   5           HA       SER   5   7.585  -3.255   4.737
   36    HB2  SER   5           HB2      SER   5   6.452  -1.756   2.431
   37    HB3  SER   5           HB3      SER   5   5.971  -3.444   2.606
   38    HG   SER   5           HG       SER   5   4.704  -1.712   3.743
   39    H    GLN   6           H        GLN   6   8.534  -5.162   4.532
   40    HA   GLN   6           HA       GLN   6   9.227  -6.119   1.848
   41    HB2  GLN   6           HB2      GLN   6  11.034  -5.967   4.240
   42    HB3  GLN   6           HB3      GLN   6  11.279  -7.204   3.015
   43    HG2  GLN   6           HG2      GLN   6  11.093  -4.307   2.286
   44    HG3  GLN   6           HG3      GLN   6  12.608  -5.028   2.829
   45   HE21  GLN   6          HE21      GLN   6  13.881  -5.635   1.247
   46   HE22  GLN   6          HE22      GLN   6  13.386  -6.196  -0.310
   47    H    MET   7           H        MET   7   9.392  -8.444   1.682
   48    HA   MET   7           HA       MET   7   7.874  -9.832   3.793
   49    HB2  MET   7           HB2      MET   7   6.635  -9.556   1.655
   50    HB3  MET   7           HB3      MET   7   7.900 -10.463   0.836
   51    HG2  MET   7           HG2      MET   7   7.382 -12.435   2.103
   52    HG3  MET   7           HG3      MET   7   6.222 -11.543   3.086
   53    HE1  MET   7           HE1      MET   7   3.700 -12.624   2.521
   54    HE2  MET   7           HE2      MET   7   4.061 -10.898   2.568
   55    HE3  MET   7           HE3      MET   7   3.052 -11.554   1.277
   56    H    ASN   8           H        ASN   8  10.789  -9.662   2.088
   57    HA   ASN   8           HA       ASN   8  11.523 -12.418   2.172
   58    HB2  ASN   8           HB2      ASN   8  13.041  -9.857   1.733
   59    HB3  ASN   8           HB3      ASN   8  13.882 -11.398   1.874
   60   HD21  ASN   8          HD21      ASN   8  13.377 -13.059   0.342
   61   HD22  ASN   8          HD22      ASN   8  12.818 -12.635  -1.237
   62    H    LYS   9           H        LYS   9  13.885 -12.718   3.307
   63    HA   LYS   9           HA       LYS   9  13.340 -12.989   6.042
   64    HB2  LYS   9           HB2      LYS   9  15.057 -14.239   4.596
   65    HB3  LYS   9           HB3      LYS   9  16.123 -12.873   4.897
   66    HG2  LYS   9           HG2      LYS   9  16.699 -14.495   6.491
   67    HG3  LYS   9           HG3      LYS   9  15.745 -13.293   7.363
   68    HD2  LYS   9           HD2      LYS   9  14.883 -15.333   8.102
   69    HD3  LYS   9           HD3      LYS   9  13.739 -14.822   6.858
   70    HE2  LYS   9           HE2      LYS   9  14.083 -17.028   6.291
   71    HE3  LYS   9           HE3      LYS   9  15.273 -16.215   5.275
   72    HZ1  LYS   9           HZ1      LYS   9  15.814 -18.265   6.926
   73    HZ2  LYS   9           HZ2      LYS   9  16.242 -16.945   7.893
   74    HZ3  LYS   9           HZ3      LYS   9  16.962 -17.150   6.377
   75    H    THR  10           H        THR  10  14.453 -10.304   4.241
   76    HA   THR  10           HA       THR  10  16.047  -8.894   5.983
   77    HB   THR  10           HB       THR  10  13.918  -7.349   4.587
   78    HG1  THR  10           HG1      THR  10  15.847  -8.998   3.303
   79   HG21  THR  10          HG21      THR  10  16.927  -7.130   4.753
   80   HG22  THR  10          HG22      THR  10  15.753  -6.175   5.659
   81   HG23  THR  10          HG23      THR  10  15.873  -5.997   3.909
   82    H    ILE  11           H        ILE  11  12.604  -9.452   6.151
   83    HA   ILE  11           HA       ILE  11  11.759  -7.468   7.865
   84    HB   ILE  11           HB       ILE  11  10.906 -10.365   7.941
   85   HG12  ILE  11          HG12      ILE  11   9.599  -8.081   6.461
   86   HG13  ILE  11          HG13      ILE  11  10.768  -9.160   5.707
   87   HG21  ILE  11          HG21      ILE  11   9.616  -7.856   8.992
   88   HG22  ILE  11          HG22      ILE  11   8.766  -9.388   8.802
   89   HG23  ILE  11          HG23      ILE  11  10.133  -9.270   9.910
   90   HD11  ILE  11          HD11      ILE  11   8.614 -10.568   7.066
   91   HD12  ILE  11          HD12      ILE  11   8.062  -9.519   5.759
   92   HD13  ILE  11          HD13      ILE  11   9.260 -10.773   5.438
   93    H    ILE  12           H        ILE  12  12.991 -10.679   8.814
   94    HA   ILE  12           HA       ILE  12  12.944 -10.347  11.557
   95    HB   ILE  12           HB       ILE  12  15.034 -11.849   9.976
   96   HG12  ILE  12          HG12      ILE  12  12.785 -12.570   9.375
   97   HG13  ILE  12          HG13      ILE  12  13.570 -13.809  10.349
   98   HG21  ILE  12          HG21      ILE  12  14.170 -12.044  12.856
   99   HG22  ILE  12          HG22      ILE  12  15.189 -13.230  12.043
  100   HG23  ILE  12          HG23      ILE  12  15.755 -11.573  12.244
  101   HD11  ILE  12          HD11      ILE  12  11.678 -13.811  11.520
  102   HD12  ILE  12          HD12      ILE  12  12.278 -12.314  12.235
  103   HD13  ILE  12          HD13      ILE  12  11.165 -12.254  10.870
  104    H    GLY  13           H        GLY  13  15.535  -9.494   9.281
  105    HA2  GLY  13           HA2      GLY  13  17.494  -8.684  11.048
  106    HA3  GLY  13           HA3      GLY  13  17.242  -7.966   9.464
  107    H    VAL  14           H        VAL  14  15.237  -6.424   9.460
  108    HA   VAL  14           HA       VAL  14  15.850  -4.178  10.930
  109    HB   VAL  14           HB       VAL  14  13.130  -4.949   9.864
  110   HG11  VAL  14          HG11      VAL  14  12.852  -3.158  11.411
  111   HG12  VAL  14          HG12      VAL  14  14.249  -2.299  10.759
  112   HG13  VAL  14          HG13      VAL  14  12.785  -2.468   9.790
  113   HG21  VAL  14          HG21      VAL  14  15.109  -3.127   8.538
  114   HG22  VAL  14          HG22      VAL  14  15.157  -4.872   8.284
  115   HG23  VAL  14          HG23      VAL  14  13.719  -3.955   7.835
  116    H    SER  15           H        SER  15  13.502  -6.717  11.696
  117    HA   SER  15           HA       SER  15  12.270  -5.618  13.901
  118    HB2  SER  15           HB2      SER  15  11.960  -7.940  12.704
  119    HB3  SER  15           HB3      SER  15  13.048  -8.511  13.969
  120    HG   SER  15           HG       SER  15  11.583  -7.781  15.509
  121    H    VAL  16           H        VAL  16  15.235  -7.591  13.868
  122    HA   VAL  16           HA       VAL  16  15.753  -7.456  16.622
  123    HB   VAL  16           HB       VAL  16  17.872  -7.646  14.486
  124   HG11  VAL  16          HG11      VAL  16  18.645  -9.333  16.405
  125   HG12  VAL  16          HG12      VAL  16  19.068  -7.620  16.415
  126   HG13  VAL  16          HG13      VAL  16  17.717  -8.202  17.389
  127   HG21  VAL  16          HG21      VAL  16  16.678  -9.392  13.719
  128   HG22  VAL  16          HG22      VAL  16  17.333 -10.222  15.130
  129   HG23  VAL  16          HG23      VAL  16  15.718  -9.517  15.193
  130    H    LEU  17           H        LEU  17  16.763  -5.366  13.952
  131    HA   LEU  17           HA       LEU  17  18.567  -3.744  15.312
  132    HB2  LEU  17           HB2      LEU  17  16.835  -3.425  12.924
  133    HB3  LEU  17           HB3      LEU  17  17.547  -1.968  13.614
  134    HG   LEU  17           HG       LEU  17  19.215  -4.346  12.839
  135   HD11  LEU  17          HD11      LEU  17  18.976  -3.905  10.682
  136   HD12  LEU  17          HD12      LEU  17  19.410  -2.217  10.950
  137   HD13  LEU  17          HD13      LEU  17  17.726  -2.725  11.076
  138   HD21  LEU  17          HD21      LEU  17  19.692  -1.545  13.698
  139   HD22  LEU  17          HD22      LEU  17  20.790  -2.239  12.504
  140   HD23  LEU  17          HD23      LEU  17  20.589  -3.017  14.075
  141    H    SER  18           H        SER  18  15.134  -3.015  14.659
  142    HA   SER  18           HA       SER  18  14.912  -0.723  16.174
  143    HB2  SER  18           HB2      SER  18  13.138  -1.569  14.677
  144    HB3  SER  18           HB3      SER  18  12.795  -2.861  15.827
  145    HG   SER  18           HG       SER  18  12.601  -0.082  16.377
  146    H    VAL  19           H        VAL  19  14.590  -4.087  17.221
  147    HA   VAL  19           HA       VAL  19  13.712  -3.704  19.819
  148    HB   VAL  19           HB       VAL  19  15.618  -5.801  18.775
  149   HG11  VAL  19          HG11      VAL  19  14.860  -7.112  20.765
  150   HG12  VAL  19          HG12      VAL  19  15.875  -5.720  21.149
  151   HG13  VAL  19          HG13      VAL  19  14.130  -5.633  21.389
  152   HG21  VAL  19          HG21      VAL  19  13.842  -6.886  17.971
  153   HG22  VAL  19          HG22      VAL  19  12.906  -6.608  19.439
  154   HG23  VAL  19          HG23      VAL  19  12.957  -5.375  18.178
  155    H    LEU  20           H        LEU  20  17.101  -4.069  18.759
  156    HA   LEU  20           HA       LEU  20  18.230  -3.457  21.266
  157    HB2  LEU  20           HB2      LEU  20  19.402  -3.186  18.502
  158    HB3  LEU  20           HB3      LEU  20  20.321  -3.103  20.003
  159    HG   LEU  20           HG       LEU  20  18.984  -5.491  18.760
  160   HD11  LEU  20          HD11      LEU  20  21.131  -5.323  17.922
  161   HD12  LEU  20          HD12      LEU  20  21.353  -6.379  19.317
  162   HD13  LEU  20          HD13      LEU  20  21.781  -4.671  19.426
  163   HD21  LEU  20          HD21      LEU  20  20.023  -5.192  21.574
  164   HD22  LEU  20          HD22      LEU  20  19.654  -6.732  20.799
  165   HD23  LEU  20          HD23      LEU  20  18.369  -5.558  21.084
  166    H    VAL  21           H        VAL  21  17.364  -1.453  18.501
  167    HA   VAL  21           HA       VAL  21  18.617   0.919  19.113
  168    HB   VAL  21           HB       VAL  21  15.856   0.504  17.965
  169   HG11  VAL  21          HG11      VAL  21  16.498   2.881  16.997
  170   HG12  VAL  21          HG12      VAL  21  15.673   2.704  18.547
  171   HG13  VAL  21          HG13      VAL  21  17.415   2.976  18.500
  172   HG21  VAL  21          HG21      VAL  21  16.836   0.181  15.979
  173   HG22  VAL  21          HG22      VAL  21  18.005   1.475  16.242
  174   HG23  VAL  21          HG23      VAL  21  18.303  -0.130  16.907
  175    H    VAL  22           H        VAL  22  15.378  -0.097  20.207
  176    HA   VAL  22           HA       VAL  22  15.005   2.140  21.915
  177    HB   VAL  22           HB       VAL  22  13.634  -0.552  21.987
  178   HG11  VAL  22          HG11      VAL  22  11.795   0.860  23.056
  179   HG12  VAL  22          HG12      VAL  22  13.195   0.464  24.055
  180   HG13  VAL  22          HG13      VAL  22  13.049   2.068  23.334
  181   HG21  VAL  22          HG21      VAL  22  11.812   0.755  20.801
  182   HG22  VAL  22          HG22      VAL  22  13.030   1.996  20.506
  183   HG23  VAL  22          HG23      VAL  22  13.247   0.373  19.850
  184    H    SER  23           H        SER  23  15.667  -1.287  22.658
  185    HA   SER  23           HA       SER  23  15.956  -1.071  25.394
  186    HB2  SER  23           HB2      SER  23  15.921  -3.225  24.226
  187    HB3  SER  23           HB3      SER  23  17.498  -2.879  23.516
  188    HG   SER  23           HG       SER  23  16.861  -3.778  26.026
  189    H    VAL  24           H        VAL  24  18.664  -1.128  23.068
  190    HA   VAL  24           HA       VAL  24  20.712  -0.486  24.782
  191    HB   VAL  24           HB       VAL  24  20.385   0.385  21.908
  192   HG11  VAL  24          HG11      VAL  24  22.220   1.607  22.212
  193   HG12  VAL  24          HG12      VAL  24  22.434   0.993  23.853
  194   HG13  VAL  24          HG13      VAL  24  23.093   0.099  22.482
  195   HG21  VAL  24          HG21      VAL  24  21.186  -1.631  21.267
  196   HG22  VAL  24          HG22      VAL  24  22.220  -1.796  22.686
  197   HG23  VAL  24          HG23      VAL  24  20.495  -2.142  22.807
  198    H    VAL  25           H        VAL  25  19.045   1.889  22.700
  199    HA   VAL  25           HA       VAL  25  20.132   4.194  23.716
  200    HB   VAL  25           HB       VAL  25  17.370   3.672  22.640
  201   HG11  VAL  25          HG11      VAL  25  18.566   6.263  23.586
  202   HG12  VAL  25          HG12      VAL  25  17.249   6.196  22.414
  203   HG13  VAL  25          HG13      VAL  25  17.022   5.541  24.036
  204   HG21  VAL  25          HG21      VAL  25  19.561   3.592  21.253
  205   HG22  VAL  25          HG22      VAL  25  18.172   4.474  20.619
  206   HG23  VAL  25          HG23      VAL  25  19.501   5.350  21.378
  207    H    ALA  26           H        ALA  26  17.317   2.420  24.941
  208    HA   ALA  26           HA       ALA  26  16.480   4.171  26.915
  209    HB1  ALA  26           HB1      ALA  26  15.291   2.111  26.227
  210    HB2  ALA  26           HB2      ALA  26  16.481   1.164  27.120
  211    HB3  ALA  26           HB3      ALA  26  15.426   2.287  27.977
  212    H    VAL  27           H        VAL  27  18.972   1.651  27.096
  213    HA   VAL  27           HA       VAL  27  19.576   2.077  29.841
  214    HB   VAL  27           HB       VAL  27  21.341   0.855  27.715
  215   HG11  VAL  27          HG11      VAL  27  21.372   0.536  30.715
  216   HG12  VAL  27          HG12      VAL  27  22.448  -0.264  29.568
  217   HG13  VAL  27          HG13      VAL  27  22.521   1.487  29.773
  218   HG21  VAL  27          HG21      VAL  27  20.377  -1.259  29.031
  219   HG22  VAL  27          HG22      VAL  27  19.000  -0.171  29.212
  220   HG23  VAL  27          HG23      VAL  27  19.590  -0.587  27.603
  221    H    LEU  28           H        LEU  28  21.006   3.239  26.817
  222    HA   LEU  28           HA       LEU  28  23.262   4.500  27.770
  223    HB2  LEU  28           HB2      LEU  28  21.408   5.057  25.500
  224    HB3  LEU  28           HB3      LEU  28  22.689   6.209  25.869
  225    HG   LEU  28           HG       LEU  28  23.349   3.320  25.451
  226   HD11  LEU  28          HD11      LEU  28  23.814   4.060  23.034
  227   HD12  LEU  28          HD12      LEU  28  22.655   5.348  23.358
  228   HD13  LEU  28          HD13      LEU  28  22.156   3.661  23.484
  229   HD21  LEU  28          HD21      LEU  28  25.331   4.748  24.351
  230   HD22  LEU  28          HD22      LEU  28  25.285   4.316  26.061
  231   HD23  LEU  28          HD23      LEU  28  24.755   5.917  25.540
  232    H    VAL  29           H        VAL  29  20.050   5.991  27.334
  233    HA   VAL  29           HA       VAL  29  20.727   8.443  28.554
  234    HB   VAL  29           HB       VAL  29  17.961   7.245  28.431
  235   HG11  VAL  29          HG11      VAL  29  17.261   9.600  28.302
  236   HG12  VAL  29          HG12      VAL  29  18.135   9.246  29.794
  237   HG13  VAL  29          HG13      VAL  29  18.944  10.097  28.477
  238   HG21  VAL  29          HG21      VAL  29  19.514   8.711  26.305
  239   HG22  VAL  29          HG22      VAL  29  18.876   7.069  26.224
  240   HG23  VAL  29          HG23      VAL  29  17.772   8.443  26.250
  241    H    TYR  30           H        TYR  30  19.361   5.448  29.819
  242    HA   TYR  30           HA       TYR  30  18.537   6.254  32.323
  243    HB2  TYR  30           HB2      TYR  30  18.885   3.824  31.027
  244    HB3  TYR  30           HB3      TYR  30  19.951   3.706  32.423
  245    HD1  TYR  30           HD1      TYR  30  19.065   2.942  34.416
  246    HD2  TYR  30           HD2      TYR  30  16.461   4.734  31.568
  247    HE1  TYR  30           HE1      TYR  30  17.139   2.400  35.846
  248    HE2  TYR  30           HE2      TYR  30  14.527   4.198  32.991
  249    HH   TYR  30           HH       TYR  30  14.789   2.125  35.743
  250    H    LYS  31           H        LYS  31  21.798   5.355  31.271
  251    HA   LYS  31           HA       LYS  31  22.900   5.927  33.894
  252    HB2  LYS  31           HB2      LYS  31  24.480   5.333  31.401
  253    HB3  LYS  31           HB3      LYS  31  24.947   5.071  33.076
  254    HG2  LYS  31           HG2      LYS  31  23.438   3.242  33.292
  255    HG3  LYS  31           HG3      LYS  31  22.702   3.592  31.726
  256    HD2  LYS  31           HD2      LYS  31  24.113   1.896  31.124
  257    HD3  LYS  31           HD3      LYS  31  25.186   3.276  30.882
  258    HE2  LYS  31           HE2      LYS  31  26.023   2.914  33.217
  259    HE3  LYS  31           HE3      LYS  31  25.085   1.422  33.256
  260    HZ1  LYS  31           HZ1      LYS  31  26.938   1.833  31.026
  261    HZ2  LYS  31           HZ2      LYS  31  26.474   0.398  31.793
  262    HZ3  LYS  31           HZ3      LYS  31  27.588   1.432  32.536
  263    H    PHE  32           H        PHE  32  23.356   7.156  30.578
  264    HA   PHE  32           HA       PHE  32  25.072   9.243  31.110
  265    HB2  PHE  32           HB2      PHE  32  22.950   8.819  29.039
  266    HB3  PHE  32           HB3      PHE  32  23.768  10.375  29.129
  267    HD1  PHE  32           HD1      PHE  32  25.376  10.599  27.520
  268    HD2  PHE  32           HD2      PHE  32  24.862   6.814  29.398
  269    HE1  PHE  32           HE1      PHE  32  27.244   9.694  26.199
  270    HE2  PHE  32           HE2      PHE  32  26.730   5.903  28.082
  271    HZ   PHE  32           HZ       PHE  32  27.924   7.344  26.481
  272    H    TYR  33           H        TYR  33  21.738   8.940  31.927
  273    HA   TYR  33           HA       TYR  33  21.632  11.775  32.710
  274    HB2  TYR  33           HB2      TYR  33  19.872  10.742  31.121
  275    HB3  TYR  33           HB3      TYR  33  19.239   9.959  32.564
  276    HD1  TYR  33           HD1      TYR  33  18.823  12.690  30.496
  277    HD2  TYR  33           HD2      TYR  33  19.014  11.714  34.632
  278    HE1  TYR  33           HE1      TYR  33  17.545  14.723  31.028
  279    HE2  TYR  33           HE2      TYR  33  17.736  13.743  35.176
  280    HH   TYR  33           HH       TYR  33  15.944  15.391  33.131
  281    H    PHE  34           H        PHE  34  20.634   8.539  33.811
  282    HA   PHE  34           HA       PHE  34  20.841   9.518  36.582
  283    HB2  PHE  34           HB2      PHE  34  19.205   7.171  35.605
  284    HB3  PHE  34           HB3      PHE  34  19.197   7.867  37.222
  285    HD1  PHE  34           HD1      PHE  34  18.206   8.400  33.720
  286    HD2  PHE  34           HD2      PHE  34  17.915   9.803  37.728
  287    HE1  PHE  34           HE1      PHE  34  16.370   9.898  33.059
  288    HE2  PHE  34           HE2      PHE  34  16.078  11.302  37.073
  289    HZ   PHE  34           HZ       PHE  34  15.302  11.351  34.736
  290    H    HIS  35           H        HIS  35  23.190   8.850  35.525
  291    HA   HIS  35           HA       HIS  35  24.045   6.243  35.441
  292    HB2  HIS  35           HB2      HIS  35  25.577   7.971  34.856
  293    HB3  HIS  35           HB3      HIS  35  25.451   8.716  36.447
  294    HD1  HIS  35           HD1      HIS  35  27.039   5.822  34.663
  295    HD2  HIS  35           HD2      HIS  35  27.098   7.628  38.405
  296    HE1  HIS  35           HE1      HIS  35  28.980   4.784  35.880