*HEADER    ANTIMICROBIAL PROTEIN                   11-SEP-13   2MDL              
*TITLE     STRUCTURE AND NMR ASSIGNMENTS OF SCYLLA SERRATA ANTI                  
*TITLE    2 LIPOPOLYSACCHARIDE FACTOR-24 (SSALF-24)                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTI-LIPOPOLYSACCHARIDE FACTOR;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 54-77;                                        
*COMPND   5 SYNONYM: SSALF;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SCYLLA SERRATA;                                 
*SOURCE   4 ORGANISM_COMMON: INDO-PACIFIC SWAMP CRAB, SAMOAN CRAB, MUD CRAB;     
*SOURCE   5 ORGANISM_TAXID: 6761                                                 
*KEYWDS    ANTIMICROBIAL, ANTIMICROBIAL PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.SHARMA, R.BARNWAL, R.YEDERY, K.REDDY                                
*REVDAT   1   17-SEP-14 2MDL    0                                                


  4 ILE  HA      5 ARG  H       3.23            #peak 1 #SUP 0.77 #QF 0.77
 11 ARG  HA     12 LYS  H       3.29            #peak 21 #SUP 0.99 #QF 0.88
 20 LYS  HA     21 PHE  H       3.24            #peak 21 #SUP 0.99 #QF 0.88
 16 TYR  HA     17 HIS  H       3.30            #peak 29 #SUP 0.92 #QF 0.92
 14 LYS  HA     15 LEU  H       3.08            #peak 32 #SUP 0.89 #QF 0.89
 13 PHE  HA     14 LYS  H       3.33            #peak 34 #SUP 0.98 #QF 0.84
 21 PHE  HA     22 TRP  H       3.50            #peak 34 #SUP 0.98 #QF 0.84
 10 PHE  HA     11 ARG  H       3.29            #peak 42 #SUP 0.94 #QF 0.83
  8 PRO  HA      9 LYS  H       3.03            #peak 46 #SUP 0.87 #QF 0.60
  6 ARG  HA      7 LYS  H       3.09            #peak 49 #SUP 0.82 #QF 0.74
  2 CYSS HB2     3 HIS  H       4.40            #peak 74 #SUP 0.99 #QF 0.99
  2 CYSS HB3     3 HIS  H       4.40            #peak 75 #SUP 0.93 #QF 0.93
 13 PHE  H      14 LYS  H       4.85            #peak 104 #SUP 0.96 #QF 0.79
 14 LYS  H      15 LEU  H       5.19            #peak 104 #SUP 0.96 #QF 0.79
 15 LEU  H      16 TYR  H       3.71            #peak 105 #SUP 0.86 #QF 0.86
 10 PHE  H      11 ARG  H       4.02            #peak 107 #SUP 0.90 #QF 0.54
 12 LYS  H      13 PHE  H       4.15            #peak 107 #SUP 0.90 #QF 0.54
 20 LYS  H      21 PHE  H       4.37            #peak 109 #SUP 0.99 #QF 0.99
 19 GLY  H      20 LYS  H       4.57            #peak 110 #SUP 0.40 #QF 0.40
  5 ARG  H       6 ARG  H       4.24            #peak 111 #SUP 0.98 #QF 0.97
  3 HIS  H       4 ILE  H       4.47            #peak 112 #SUP 0.82 #QF 0.82
 21 PHE  H      22 TRP  H       3.64            #peak 115 #SUP 0.92 #QF 0.92
 22 TRP  H      22 TRP  HD1     4.04            #peak 117 #SUP 0.93 #QF 0.93
 21 PHE  H      22 TRP  HD1     4.20            #peak 118 #SUP 0.86 #QF 0.86
 15 LEU  H      22 TRP  HZ2     3.92            #peak 119 #SUP 0.54 #QF 0.54
 13 PHE  HB2    16 TYR  QE      5.50            #peak 134 #SUP 0.96 #QF 0.96
 16 TYR  QE     18 GLU  HA      5.24            #peak 135 #SUP 0.98 #QF 0.98
 11 ARG  HA     16 TYR  QE      5.26            #peak 136 #SUP 0.86 #QF 0.86
 22 TRP  H      22 TRP  HB3     4.08            #peak 140 #SUP 0.99 #QF 0.99
 13 PHE  HB3    14 LYS  H       4.22            #peak 144 #SUP 0.97 #QF 0.87
 22 TRP  H      22 TRP  HB2     4.08            #peak 144 #SUP 0.97 #QF 0.87
 17 HIS  H      17 HIS  HB3     4.18            #peak 145 #SUP 1.00
 21 PHE  HB3    22 TRP  H       4.23            #peak 151 #SUP 0.93 #QF 0.93
 21 PHE  H      21 PHE  HB2     3.63            #peak 153 #SUP 0.95 #QF 0.85
 21 PHE  H      21 PHE  HB3     4.04            #peak 153 #SUP 0.95 #QF 0.85
 16 TYR  HB2    17 HIS  H       4.04            #peak 156 #SUP 1.00 #QF 0.99
 16 TYR  H      16 TYR  HB3     3.85            #peak 157 #SUP 0.99 #QF 0.89
 17 HIS  H      17 HIS  HB2     4.18            #peak 158 #SUP 0.99 #QF 0.99
  4 ILE  HB      5 ARG  H       4.66            #peak 160 #SUP 0.99 #QF 0.99
  5 ARG  H       5 ARG  HB3     4.16            #peak 161 #SUP 1.00
  5 ARG  H       5 ARG  HB2     3.88            #peak 163 #SUP 0.99 #QF 0.99
  5 ARG  H       5 ARG  HG2     4.30            #peak 164 #SUP 0.98 #QF 0.46
  4 ILE  QG2     5 ARG  H       4.26            #peak 165 #SUP 0.99 #QF 0.97
  4 ILE  QD1     5 ARG  H       4.87            #peak 165 #SUP 0.99 #QF 0.97
 18 GLU  H      18 GLU  HB3     4.20            #peak 168 #SUP 1.00 #QF 0.99
 18 GLU  H      18 GLU  HB2     4.20            #peak 170 #SUP 0.95 #QF 0.95
  4 ILE  H       4 ILE  HB      3.82            #peak 171 #SUP 0.92 #QF 0.92
  6 ARG  H       6 ARG  HB3     3.99            #peak 177 #SUP 0.94 #QF 0.94
  6 ARG  H       6 ARG  HB2     3.99            #peak 181 #SUP 0.98 #QF 0.44
  9 LYS  HB2    10 PHE  H       4.76            #peak 182 #SUP 0.92 #QF 0.24
  9 LYS  H       9 LYS  HB3     3.98            #peak 186 #SUP 0.55 #QF 0.42
  9 LYS  H       9 LYS  HB2     3.98            #peak 188 #SUP 0.90 #QF 0.45
  9 LYS  HB3    10 PHE  H       4.76            #peak 189 #SUP 0.99 #QF 0.87
  5 ARG  HB2     6 ARG  H       4.34            #peak 190 #SUP 0.98 #QF 0.28
 15 LEU  HB3    16 TYR  H       4.37            #peak 191 #SUP 0.99 #QF 0.99
  5 ARG  HG2     6 ARG  H       3.67            #peak 193 #SUP 0.73 #QF 0.63
 15 LEU  HB2    16 TYR  H       4.37            #peak 197 #SUP 0.99 #QF 0.99
  5 ARG  HG3     6 ARG  H       4.64            #peak 199 #SUP 0.67 #QF 0.67
 14 LYS  H      14 LYS  HG3     4.63            #peak 201 #SUP 0.99 #QF 0.99
 12 LYS  H      12 LYS  HG3     4.60            #peak 202 #SUP 0.98 #QF 0.98
 12 LYS  H      12 LYS  HG2     4.60            #peak 206 #SUP 0.99 #QF 0.98
  4 ILE  QG2     6 ARG  H       4.70            #peak 209 #SUP 0.79 #QF 0.71
  4 ILE  H       4 ILE  QG2     4.54            #peak 210 #SUP 0.99 #QF 0.98
  4 ILE  H       4 ILE  QD1     5.02            #peak 210 #SUP 0.99 #QF 0.98
  6 ARG  HB3     6 ARG  HE      4.76            #peak 211 #SUP 0.67 #QF 0.52
 11 ARG  HB2    11 ARG  HE      5.39            #peak 211 #SUP 0.67 #QF 0.52
  5 ARG  HB3     5 ARG  HE      4.98            #peak 212 #SUP 0.98 #QF 0.46
  5 ARG  HB2     5 ARG  HE      4.93            #peak 213 #SUP 0.90 #QF 0.61
 11 ARG  HE     14 LYS  HG2     5.46            #peak 229 #SUP 0.42 #QF 0.42
 15 LEU  QD1    22 TRP  HD1     4.91            #peak 232 #SUP 0.93 #QF 0.51
  8 PRO  HD2    24 PRO  HD3     4.07            #peak 257 #SUP 0.91 #QF 0.91
  7 LYS  HA      8 PRO  HD3     3.34            #peak 279 #SUP 0.99 #QF 0.99
  7 LYS  HA      8 PRO  HD2     3.51            #peak 280 #SUP 0.99 #QF 0.99
 23 CYSS HA     24 PRO  HD3     3.75            #peak 284 #SUP 0.93 #QF 0.93
 23 CYSS HA     24 PRO  HD2     3.75            #peak 285 #SUP 0.92 #QF 0.92
 20 LYS  HA     21 PHE  HB2     4.57            #peak 293 #SUP 0.61 #QF 0.61
 20 LYS  HB3    21 PHE  HA      4.59            #peak 316 #SUP 0.28 #QF 0.28
  4 ILE  HA      5 ARG  HG2     4.72            #peak 321 #SUP 0.37 #QF 0.37
 14 LYS  HA     14 LYS  HD2     4.32            #peak 323 #SUP 0.52 #QF 0.39
  4 ILE  HB      4 ILE  QD1     3.74            #peak 403 #SUP 1.00 #QF 0.99
 22 TRP  HB3    23 CYSS H       4.86            #peak 445 #SUP 0.98 #QF 0.98
 22 TRP  HB2    23 CYSS H       4.86            #peak 446 #SUP 0.97 #QF 0.97
 22 TRP  HA     22 TRP  HE3     4.16            #peak 449 #SUP 0.87 #QF 0.87
 22 TRP  HA     22 TRP  HD1     4.54            #peak 450 #SUP 0.89 #QF 0.89
 13 PHE  HB2    14 LYS  H       4.22            #peak 451 #SUP 0.97 #QF 0.97
 16 TYR  HA     16 TYR  QD      3.88            #peak 457 #SUP 1.00
 13 PHE  HA     16 TYR  QD      5.40            #peak 458 #SUP 0.84 #QF 0.60
 21 PHE  HA     21 PHE  QE      5.50            #peak 458 #SUP 0.84 #QF 0.60
 21 PHE  HA     21 PHE  QD      4.66            #peak 459 #SUP 0.99 #QF 0.99
 14 LYS  HA     14 LYS  HD3     4.32            #peak 481 #SUP 0.97 #QF 0.31
 14 LYS  HA     22 TRP  HZ2     5.02            #peak 513 #SUP 0.88 #QF 0.43
 20 LYS  HA     22 TRP  HD1     4.96            #peak 513 #SUP 0.88 #QF 0.43
 21 PHE  QD     21 PHE  HZ      3.80            #peak 522 #SUP 0.97 #QF 0.97
 14 LYS  H      16 TYR  H       4.80            #peak 530 #SUP 0.71 #QF 0.71
 16 TYR  H      16 TYR  QD      4.52            #peak 543 #SUP 1.00
 14 LYS  H      14 LYS  HG2     4.63            #peak 549 #SUP 0.99 #QF 0.99
  3 HIS  HB2     4 ILE  H       4.94            #peak 567 #SUP 0.75 #QF 0.56
  3 HIS  HB3     4 ILE  H       4.94            #peak 569 #SUP 0.97 #QF 0.97
 16 TYR  HB2    17 HIS  HA      4.55            #peak 675 #SUP 0.63 #QF 0.63
 15 LEU  QD2    22 TRP  HE3     5.50            #peak 24 #SUP 0.92 #QF 0.27
 15 LEU  QD1    22 TRP  HE3     5.50            #peak 25 #SUP 0.85 #QF 0.85
 16 TYR  QE     18 GLU  HB2     5.50            #peak 31 #SUP 0.96 #QF 0.96
 16 TYR  QE     18 GLU  HB3     5.50            #peak 33 #SUP 0.99 #QF 0.99
  6 ARG  HB2     6 ARG  HE      4.76            #peak 77 #SUP 0.76 #QF 0.39
 11 ARG  HB3    11 ARG  HE      5.39            #peak 77 #SUP 0.76 #QF 0.39
 11 ARG  HE     14 LYS  HG3     5.46            #peak 85 #SUP 0.44 #QF 0.44
 15 LEU  HG     22 TRP  HD1     5.50            #peak 88 #SUP 0.55 #QF 0.55
 15 LEU  QD2    22 TRP  HD1     4.91            #peak 91 #SUP 0.92 #QF 0.74
 13 PHE  HB3    16 TYR  QE      5.50            #peak 100 #SUP 0.97 #QF 0.35
 15 LEU  HA     22 TRP  HE3     5.50            #peak 102 #SUP 0.63 #QF 0.63
 15 LEU  HA     22 TRP  HD1     5.50            #peak 110 #SUP 0.86 #QF 0.54
 15 LEU  HA     22 TRP  HZ2     5.41            #peak 110 #SUP 0.86 #QF 0.54
 11 ARG  HE     14 LYS  HA      5.29            #peak 113 #SUP 0.81 #QF 0.47
  3 HIS  HA     21 PHE  HZ      5.50            #peak 115 #SUP 0.96 #QF 0.96
 21 PHE  HA     22 TRP  HD1     4.13            #peak 116 #SUP 0.78 #QF 0.78
 16 TYR  HA     22 TRP  HZ2     5.50            #peak 117 #SUP 0.31 #QF 0.31
  3 HIS  HA     21 PHE  QE      5.50            #peak 124 #SUP 0.52 #QF 0.52
 16 TYR  QD     17 HIS  HA      5.05            #peak 127 #SUP 0.55 #QF 0.55
 15 LEU  HA     16 TYR  QD      5.16            #peak 128 #SUP 0.45 #QF 0.26
 15 LEU  HA     22 TRP  HH2     5.50            #peak 128 #SUP 0.45 #QF 0.26
 16 TYR  HA     16 TYR  QE      5.50            #peak 132 #SUP 0.54 #QF 0.54
 15 LEU  HA     16 TYR  QE      5.50            #peak 133 #SUP 0.79 #QF 0.20
 11 ARG  HE     22 TRP  HZ3     3.11            #peak 140 #SUP 0.21 #QF 0.21
 11 ARG  HE     22 TRP  HE3     4.63            #peak 172 #SUP 0.76 #QF 0.76
 21 PHE  QD     22 TRP  HD1     5.50            #peak 175 #SUP 0.28 #QF 0.28
  5 ARG  HB2     6 ARG  HA      5.12            #peak 249 #SUP 0.61 #QF 0.61
  5 ARG  HG3     6 ARG  HA      4.74            #peak 260 #SUP 0.43 #QF 0.43
 12 LYS  HA     12 LYS  HG3     4.11            #peak 262 #SUP 0.99 #QF 0.87
 12 LYS  HA     12 LYS  HG2     4.11            #peak 264 #SUP 0.97 #QF 0.74
 15 LEU  HA     15 LEU  QD2     4.89            #peak 271 #SUP 0.91 #QF 0.41
  4 ILE  HA      4 ILE  QG2     3.50            #peak 272 #SUP 0.96 #QF 0.94
  4 ILE  HA      4 ILE  QD1     3.91            #peak 272 #SUP 0.96 #QF 0.94
  1 THR  HA      1 THR  QG2     3.70            #peak 280 #SUP 0.99 #QF 0.99
  5 ARG  HA      6 ARG  HA      5.12            #peak 302 #SUP 0.72 #QF 0.43
  6 ARG  HA      7 LYS  HA      5.50            #peak 302 #SUP 0.72 #QF 0.43
 14 LYS  HA     15 LEU  HA      4.62            #peak 313 #SUP 0.28 #QF 0.28
  8 PRO  HD2    24 PRO  HD2     4.07            #peak 360 #SUP 0.95 #QF 0.95
 15 LEU  HA     15 LEU  QD1     4.89            #peak 574 #SUP 0.86 #QF 0.86
  2 CYSS QB     23 CYSS HA      4.61            #peak 216
  2 CYSS QB     23 CYSS QB      3.24            #peak 432
  3 HIS  H       3 HIS  QB      3.68            #peak 76
  3 HIS  QB      4 ILE  H       4.33            #peak 569
  3 HIS  QB     21 PHE  QE      4.80            #peak 59
  3 HIS  QB     21 PHE  HZ      3.86            #peak 226
  4 ILE  H       4 ILE  QG1     4.87            #peak 208
  4 ILE  HA      4 ILE  QG1     3.71            #peak 269
  5 ARG  HA      5 ARG  QD      4.81            #peak 230
  6 ARG  H       6 ARG  QB      3.43            #peak 177
  6 ARG  H       6 ARG  QG      4.53            #peak 548
  6 ARG  HA      6 ARG  QD      4.28            #peak 229
  6 ARG  QB      6 ARG  QD      3.30            #peak 378
  6 ARG  QG      6 ARG  HE      3.68            #peak 216
  6 ARG  QD      7 LYS  H       4.58            #peak 566
  7 LYS  H       7 LYS  QB      3.39            #peak 176
  7 LYS  H       7 LYS  QG      4.06            #peak 200
  7 LYS  H       7 LYS  QD      3.66            #peak 186
  7 LYS  H       7 LYS  QE      5.28            #peak 567
  7 LYS  H      24 PRO  QB      5.07            #peak 613
  7 LYS  HA      7 LYS  QD      4.20            #peak 311
  7 LYS  QB     24 PRO  QB      3.33            #peak 358
  7 LYS  QG      8 PRO  HD2     4.51            #peak 292
  7 LYS  QD      8 PRO  HD2     4.79            #peak 345
  7 LYS  QD      8 PRO  HD3     5.34            #peak 589
  8 PRO  QB      9 LYS  H       4.05            #peak 167
  8 PRO  QB     11 ARG  HE      5.34            #peak 67
  8 PRO  QG      9 LYS  H       5.03            #peak 563
  8 PRO  QG     11 ARG  HE      5.05            #peak 65
  8 PRO  QG     24 PRO  QD      4.34            #peak 545
  8 PRO  HD2    24 PRO  QB      4.87            #peak 591
  8 PRO  HD2    24 PRO  QG      3.91            #peak 341
  8 PRO  HD2    24 PRO  QD      3.46            #peak 257
  8 PRO  HD3    24 PRO  QB      5.23            #peak 337
  8 PRO  HD3    24 PRO  QD      3.86            #peak 341
  9 LYS  H       9 LYS  QG      5.32            #peak 208
  9 LYS  H       9 LYS  QD      4.58            #peak 204
  9 LYS  HA      9 LYS  QD      4.00            #peak 263
  9 LYS  QB     10 PHE  H       3.97            #peak 182
  9 LYS  QG     10 PHE  H       5.34            #peak 553
  9 LYS  QD     10 PHE  H       4.76            #peak 203
  9 LYS  QE     10 PHE  QB      3.64            #peak 504
 10 PHE  H      10 PHE  QB      3.46            #peak 143
 10 PHE  QB     11 ARG  H       4.37            #peak 149
 11 ARG  H      11 ARG  QB      3.29            #peak 533
 11 ARG  H      11 ARG  QG      3.85            #peak 195
 11 ARG  H      11 ARG  QD      3.94            #peak 142
 11 ARG  HA     11 ARG  QG      3.53            #peak 320
 11 ARG  HA     11 ARG  QD      4.03            #peak 227
 11 ARG  QB     11 ARG  QD      3.23            #peak 347
 11 ARG  QB     12 LYS  H       4.01            #peak 178
 11 ARG  QB     13 PHE  H       4.48            #peak 175
 11 ARG  QB     16 TYR  QE      4.57            #peak 439
 11 ARG  QB     22 TRP  HH2     5.28            #peak 99
 11 ARG  QG     14 LYS  HA      5.04            #peak 324
 11 ARG  QG     22 TRP  HE3     5.34            #peak 23
 11 ARG  QG     22 TRP  HH2     5.24            #peak 97
 11 ARG  QD     16 TYR  QE      5.34            #peak 100
 11 ARG  HE     14 LYS  QG      4.62            #peak 229
 11 ARG  HE     14 LYS  QD      4.34            #peak 216
 11 ARG  HE     14 LYS  QE      4.82            #peak 417
 12 LYS  H      12 LYS  QG      4.02            #peak 202
 12 LYS  HA     12 LYS  QG      3.58            #peak 262
 12 LYS  QG     13 PHE  H       5.34            #peak 553
 13 PHE  H      13 PHE  QB      3.23            #peak 150
 13 PHE  QB     14 LYS  H       3.57            #peak 144
 13 PHE  QB     14 LYS  HA      4.79            #peak 292
 13 PHE  QB     16 TYR  H       5.34            #peak 562
 13 PHE  QB     16 TYR  HA      5.32            #peak 671
 13 PHE  QB     16 TYR  QD      5.09            #peak 60
 14 LYS  H      14 LYS  QG      4.06            #peak 549
 14 LYS  HA     14 LYS  QG      3.72            #peak 327
 14 LYS  HA     14 LYS  QE      4.76            #peak 231
 14 LYS  QB     14 LYS  QD      2.97            #peak 459
 14 LYS  QB     22 TRP  HE3     5.34            #peak 30
 14 LYS  QG     15 LEU  H       5.34            #peak 553
 14 LYS  QD     15 LEU  H       4.25            #peak 630
 14 LYS  QD     22 TRP  HE3     4.71            #peak 22
 14 LYS  QD     22 TRP  HH2     5.34            #peak 97
 14 LYS  QE     22 TRP  HE3     4.40            #peak 422
 15 LEU  H      15 LEU  QB      3.40            #peak 198
 15 LEU  H      15 LEU  QQD     4.68            #peak 236
 15 LEU  HA     15 LEU  QQD     3.50            #peak 574
 15 LEU  QB     15 LEU  QQD     2.83            #peak 524
 15 LEU  QQD    20 LYS  HA      4.60            #peak 335
 15 LEU  QQD    22 TRP  QB      4.04            #peak 369
 15 LEU  QQD    22 TRP  HD1     4.24            #peak 232
 15 LEU  QQD    22 TRP  HZ2     5.38            #peak 91
 15 LEU  QQD    22 TRP  HH2     5.34            #peak 93
 16 TYR  H      18 GLU  QB      5.34            #peak 563
 16 TYR  QD     18 GLU  QB      5.29            #peak 96
 16 TYR  QD     18 GLU  QG      5.34            #peak 36
 16 TYR  QE     18 GLU  QB      4.63            #peak 31
 16 TYR  QE     18 GLU  QG      5.26            #peak 34
 17 HIS  H      17 HIS  QB      3.63            #peak 158
 18 GLU  H      18 GLU  QB      3.48            #peak 170
 18 GLU  HA     18 GLU  QG      3.56            #peak 234
 18 GLU  QB     19 GLY  H       4.39            #peak 168
 18 GLU  QG     19 GLY  H       3.88            #peak 166
 20 LYS  H      20 LYS  QG      3.94            #peak 205
 20 LYS  HA     20 LYS  QG      3.59            #peak 266
 22 TRP  QB     22 TRP  HD1     3.39            #peak 413
 22 TRP  QB     22 TRP  HE3     3.65            #peak 14
 22 TRP  QB     23 CYSS H       4.20            #peak 446
 23 CYSS HA     24 PRO  QD      3.28            #peak 284
  9 LYS  HA     10 PHE  H       3.52            #peak 32 #SUP 0.86 #QF 0.32
 13 PHE  H      14 LYS  H       4.71            #peak 103 #SUP 0.98 #QF 0.86
  6 ARG  H       7 LYS  H       4.30            #peak 110 #SUP 0.53 #QF 0.33
 21 PHE  H      22 TRP  HB2     5.50            #peak 142 #SUP 0.98 #QF 0.96
 22 TRP  H      22 TRP  HB2     3.57            #peak 144 #SUP 0.81 #QF 0.81
 21 PHE  HB3    22 TRP  H       4.18            #peak 151 #SUP 0.91 #QF 0.91
  4 ILE  HB      5 ARG  H       4.44            #peak 161 #SUP 1.00 #QF 0.46
  5 ARG  H       5 ARG  HG2     5.00            #peak 164 #SUP 0.95 #QF 0.65
  5 ARG  H       5 ARG  HG3     5.00            #peak 164 #SUP 0.95 #QF 0.65
  4 ILE  QD1     5 ARG  H       4.88            #peak 165 #SUP 0.98 #QF 0.97
 18 GLU  H      18 GLU  HB3     4.20            #peak 168 #SUP 0.99 #QF 0.97
 18 GLU  H      18 GLU  HB2     4.20            #peak 170 #SUP 0.93 #QF 0.90
  9 LYS  HB2    10 PHE  H       4.08            #peak 189 #SUP 0.92 #QF 0.47
  9 LYS  HB3    10 PHE  H       4.08            #peak 192 #SUP 0.88 #QF 0.20
 11 ARG  H      11 ARG  HG2     5.50            #peak 195 #SUP 0.99 #QF 0.89
 11 ARG  H      11 ARG  HG3     5.50            #peak 195 #SUP 0.99 #QF 0.89
 15 LEU  HB3    16 TYR  H       4.99            #peak 197 #SUP 0.99 #QF 0.98
 15 LEU  HB2    16 TYR  H       5.34            #peak 197 #SUP 0.99 #QF 0.98
 15 LEU  H      15 LEU  HB2     3.63            #peak 198 #SUP 0.41 #QF 0.41
 12 LYS  H      12 LYS  HG3     4.48            #peak 202 #SUP 0.84 #QF 0.84
 12 LYS  H      12 LYS  HG2     4.48            #peak 206 #SUP 0.70 #QF 0.70
  4 ILE  H       4 ILE  QD1     5.07            #peak 210 #SUP 1.00 #QF 0.99
 15 LEU  HB2    16 TYR  HA      5.50            #peak 316 #SUP 0.55 #QF 0.37
 14 LYS  HA     15 LEU  HB2     5.49            #peak 323 #SUP 0.70 #QF 0.54
 22 TRP  HB2    23 CYSS HB2     5.27            #peak 504 #SUP 0.34 #QF 0.34
 15 LEU  HB3    22 TRP  HD1     5.50            #peak 75 #SUP 0.31 #QF 0.31
 21 PHE  HA     21 PHE  QE      5.21            #peak 123 #SUP 0.82 #QF 0.37
 16 TYR  HA     16 TYR  QE      5.60            #peak 132 #SUP 0.27 #QF 0.27
  4 ILE  HA      4 ILE  QG2     3.35            #peak 272 #SUP 0.98 #QF 0.98
 22 TRP  HB3    23 CYSS HB2     4.61            #peak 367 #SUP 0.78 #QF 0.78
 15 LEU  HA     15 LEU  QD1     4.13            #peak 574 #SUP 0.84 #QF 0.63
 15 LEU  HA     15 LEU  QD2     4.13            #peak 574 #SUP 0.84 #QF 0.63
  3 HIS  QB      4 ILE  H       4.23            #peak 157
  5 ARG  H       5 ARG  QG      4.32            #peak 164
  5 ARG  QB      6 ARG  H       3.57            #peak 181
  6 ARG  QG      7 LYS  H       4.57            #peak 196
  7 LYS  QB      7 LYS  QE      4.68            #peak 376
  8 PRO  HD2    24 PRO  QD      3.95            #peak 266
  8 PRO  HD3    24 PRO  QD      4.08            #peak 341
  9 LYS  H       9 LYS  QD      4.92            #peak 204
 10 PHE  H      11 ARG  QB      5.34            #peak 175
 11 ARG  HA     11 ARG  QD      4.45            #peak 227
 11 ARG  QB     11 ARG  HE      5.16            #peak 77
 11 ARG  QB     22 TRP  HZ3     5.34            #peak 69
 11 ARG  QG     12 LYS  H       5.34            #peak 195
 11 ARG  QG     22 TRP  HZ3     5.34            #peak 74
 12 LYS  H      12 LYS  QB      3.52            #peak 187
 12 LYS  H      12 LYS  QG      3.88            #peak 206
 12 LYS  HA     12 LYS  QE      5.30            #peak 231
 14 LYS  H      15 LEU  QQD     5.44            #peak 209
 15 LEU  QQD    22 TRP  HB2     4.26            #peak 369
 15 LEU  QQD    22 TRP  HB3     4.83            #peak 368
 16 TYR  QB     17 HIS  H       4.13            #peak 156
 20 LYS  H      20 LYS  QB      3.44            #peak 193
 22 TRP  HB3    24 PRO  QD      5.24            #peak 363
 11 ARG  HA     12 LYS  H       3.15            #peak 21 #SUP 0.99 #QF 0.95
 21 PHE  HA     22 TRP  H       3.37            #peak 60 #SUP 0.98 #QF 0.25
 14 LYS  H      15 LEU  H       5.23            #peak 103 #SUP 1.00 #QF 0.86
 10 PHE  H      11 ARG  H       3.86            #peak 107 #SUP 0.90 #QF 0.55
 12 LYS  H      13 PHE  H       4.09            #peak 107 #SUP 0.90 #QF 0.55
 20 LYS  H      21 PHE  H       4.08            #peak 115 #SUP 0.31 #QF 0.31
 13 PHE  HB3    16 TYR  QE      5.50            #peak 134 #SUP 0.99 #QF 0.99
 15 LEU  HA     16 TYR  QE      5.50            #peak 135 #SUP 0.99 #QF 0.21
 14 LYS  HA     16 TYR  QE      5.50            #peak 136 #SUP 0.61 #QF 0.27
 13 PHE  H      13 PHE  HB2     3.64            #peak 143 #SUP 0.92 #QF 0.64
 17 HIS  HB3    18 GLU  H       4.75            #peak 145 #SUP 1.00
 13 PHE  HB3    14 LYS  H       4.17            #peak 151 #SUP 0.93 #QF 0.36
 16 TYR  HB2    18 GLU  H       5.15            #peak 152 #SUP 0.95 #QF 0.62
 16 TYR  H      16 TYR  HB3     3.88            #peak 157 #SUP 0.99 #QF 0.89
 17 HIS  HB2    18 GLU  H       4.75            #peak 158 #SUP 1.00
  4 ILE  H       4 ILE  HB      3.81            #peak 176 #SUP 0.77 #QF 0.42
  5 ARG  HB3     6 ARG  H       4.14            #peak 177 #SUP 0.98 #QF 0.52
  5 ARG  HB2     6 ARG  H       4.14            #peak 180 #SUP 0.92 #QF 0.31
  9 LYS  H       9 LYS  HB2     4.03            #peak 186 #SUP 0.59 #QF 0.41
  9 LYS  H       9 LYS  HB3     4.03            #peak 186 #SUP 0.59 #QF 0.41
  5 ARG  HG2     6 ARG  H       5.50            #peak 199 #SUP 0.99 #QF 0.66
  5 ARG  HG3     6 ARG  H       5.50            #peak 199 #SUP 0.99 #QF 0.66
 14 LYS  H      14 LYS  HG2     5.50            #peak 201 #SUP 0.96 #QF 0.64
 14 LYS  H      14 LYS  HG3     5.50            #peak 201 #SUP 0.96 #QF 0.64
  4 ILE  H       4 ILE  QG2     4.55            #peak 210 #SUP 1.00 #QF 0.99
  8 PRO  HD3    24 PRO  HD3     4.15            #peak 258 #SUP 0.43 #QF 0.43
 21 PHE  HB3    22 TRP  HA      4.40            #peak 288 #SUP 0.31 #QF 0.31
 22 TRP  HB2    22 TRP  HD1     3.46            #peak 413 #SUP 0.99 #QF 0.76
 21 PHE  HB2    22 TRP  HD1     5.50            #peak 423 #SUP 0.54 #QF 0.27
 22 TRP  HB2    23 CYSS H       4.64            #peak 446 #SUP 0.98 #QF 0.98
 22 TRP  HB3    22 TRP  HE3     3.99            #peak 14 #SUP 0.88 #QF 0.88
 21 PHE  HB3    22 TRP  HD1     5.38            #peak 18 #SUP 0.26 #QF 0.26
  8 PRO  HG3    22 TRP  HZ3     5.07            #peak 63 #SUP 0.46 #QF 0.46
  8 PRO  HG2    22 TRP  HZ3     5.07            #peak 69 #SUP 0.35 #QF 0.35
 11 ARG  HG2    22 TRP  HZ3     5.50            #peak 74 #SUP 0.71 #QF 0.36
 11 ARG  HG3    22 TRP  HZ3     5.50            #peak 74 #SUP 0.71 #QF 0.36
 14 LYS  HG3    22 TRP  HZ3     5.50            #peak 80 #SUP 0.59 #QF 0.33
 14 LYS  HG2    22 TRP  HZ3     5.50            #peak 84 #SUP 0.32 #QF 0.32
 15 LEU  HG     22 TRP  HD1     5.50            #peak 88 #SUP 0.85 #QF 0.52
 11 ARG  HG2    22 TRP  HH2     5.50            #peak 97 #SUP 0.93 #QF 0.36
 11 ARG  HG3    22 TRP  HH2     5.50            #peak 97 #SUP 0.93 #QF 0.36
 13 PHE  HB2    16 TYR  QE      5.46            #peak 100 #SUP 0.97 #QF 0.97
  8 PRO  HA     22 TRP  HZ3     5.50            #peak 107 #SUP 0.31 #QF 0.31
 15 LEU  HA     22 TRP  HD1     5.41            #peak 110 #SUP 0.98 #QF 0.35
 15 LEU  HA     16 TYR  QD      4.95            #peak 128 #SUP 0.31 #QF 0.31
 16 TYR  QD     18 GLU  HA      5.50            #peak 130 #SUP 0.64 #QF 0.43
 15 LEU  HA     22 TRP  HB2     5.35            #peak 229 #SUP 0.95 #QF 0.89
 14 LYS  HA     14 LYS  HG2     4.23            #peak 262 #SUP 0.99 #QF 0.69
 14 LYS  HA     14 LYS  HG3     4.23            #peak 262 #SUP 0.99 #QF 0.69
 22 TRP  HB3    24 PRO  HD3     5.60            #peak 362 #SUP 0.58 #QF 0.58
 15 LEU  QD1    22 TRP  HB2     5.03            #peak 369 #SUP 0.79 #QF 0.27
 15 LEU  QD2    22 TRP  HB2     5.03            #peak 369 #SUP 0.79 #QF 0.27
  4 ILE  HB      4 ILE  QD1     3.71            #peak 531 #SUP 0.95 #QF 0.87
  4 ILE  H       4 ILE  QG1     4.57            #peak 208
  6 ARG  H       6 ARG  QG      4.02            #peak 193
  7 LYS  QD      8 PRO  HD2     4.57            #peak 345
  8 PRO  QB     22 TRP  HZ3     5.34            #peak 68
  9 LYS  H       9 LYS  QB      3.41            #peak 186
  9 LYS  QB     10 PHE  H       3.51            #peak 192
  9 LYS  QB     10 PHE  HA      4.98            #peak 316
 11 ARG  QB     11 ARG  QD      3.32            #peak 377
 11 ARG  QB     13 PHE  H       4.52            #peak 175
 11 ARG  QB     22 TRP  HH2     5.34            #peak 99
 11 ARG  QD     22 TRP  HH2     4.61            #peak 58
 12 LYS  QB     13 PHE  H       4.04            #peak 189
 14 LYS  HA     15 LEU  QQD     4.63            #peak 335
 15 LEU  H      15 LEU  QQD     4.71            #peak 236
 15 LEU  QB     22 TRP  HD1     5.34            #peak 75
 15 LEU  QQD    16 TYR  H       5.31            #peak 209
 15 LEU  QQD    22 TRP  HE3     5.28            #peak 24
 15 LEU  QQD    22 TRP  HZ3     4.59            #peak 26
 18 GLU  H      18 GLU  QB      3.53            #peak 170
 20 LYS  HA     20 LYS  QE      5.34            #peak 231
 20 LYS  QB     22 TRP  HD1     5.53            #peak 73
 20 LYS  QG     21 PHE  H       5.18            #peak 206
 22 TRP  HB2    23 CYSS QB      4.97            #peak 504
 22 TRP  HB3    23 CYSS QB      4.46            #peak 350
  4 ILE  HA      5 ARG  H       3.27            #peak 1 #SUP 0.86 #QF 0.86
 20 LYS  HA     21 PHE  H       3.29            #peak 21 #SUP 0.99 #QF 0.87
 17 HIS  HA     18 GLU  H       3.51            #peak 28 #SUP 0.95 #QF 0.23
 16 TYR  HA     17 HIS  H       3.33            #peak 29 #SUP 0.90 #QF 0.90
 14 LYS  HA     15 LEU  H       3.11            #peak 32 #SUP 0.85 #QF 0.85
 13 PHE  HA     14 LYS  H       3.32            #peak 34 #SUP 0.97 #QF 0.82
 10 PHE  HA     11 ARG  H       3.31            #peak 42 #SUP 0.92 #QF 0.77
  8 PRO  HA      9 LYS  H       3.11            #peak 46 #SUP 0.87 #QF 0.60
 15 LEU  HA     16 TYR  H       3.52            #peak 46 #SUP 0.87 #QF 0.60
  6 ARG  HA      7 LYS  H       3.14            #peak 49 #SUP 0.81 #QF 0.69
  2 CYSS HB2     3 HIS  H       4.44            #peak 74 #SUP 0.97 #QF 0.97
  2 CYSS HB3     3 HIS  H       4.44            #peak 75 #SUP 0.96 #QF 0.96
  9 LYS  H      10 PHE  H       4.35            #peak 105 #SUP 0.87 #QF 0.30
 15 LEU  H      16 TYR  H       4.34            #peak 105 #SUP 0.87 #QF 0.30
 19 GLY  H      20 LYS  H       4.02            #peak 110 #SUP 0.25 #QF 0.25
  5 ARG  H       6 ARG  H       4.21            #peak 111 #SUP 0.77 #QF 0.77
  3 HIS  H       4 ILE  H       4.52            #peak 112 #SUP 0.93 #QF 0.93
 21 PHE  H      22 TRP  H       3.67            #peak 115 #SUP 0.92 #QF 0.92
 22 TRP  H      22 TRP  HD1     4.08            #peak 117 #SUP 0.78 #QF 0.78
 21 PHE  H      22 TRP  HD1     4.24            #peak 118 #SUP 0.77 #QF 0.77
 16 TYR  QE     18 GLU  HA      5.29            #peak 135 #SUP 0.98 #QF 0.98
 22 TRP  H      22 TRP  HB3     4.12            #peak 140 #SUP 0.97 #QF 0.97
 13 PHE  H      13 PHE  HB3     4.16            #peak 143 #SUP 0.84 #QF 0.55
 17 HIS  H      17 HIS  HB3     4.12            #peak 145 #SUP 1.00
 21 PHE  H      21 PHE  HB2     3.51            #peak 153 #SUP 0.89 #QF 0.89
 16 TYR  HB2    17 HIS  H       4.07            #peak 156 #SUP 1.00 #QF 0.99
 17 HIS  H      17 HIS  HB2     4.12            #peak 158 #SUP 0.99 #QF 0.99
  5 ARG  H       5 ARG  HB3     4.20            #peak 161 #SUP 0.99 #QF 0.99
  5 ARG  H       5 ARG  HB2     4.20            #peak 163 #SUP 0.99 #QF 0.99
  4 ILE  QG2     5 ARG  H       4.31            #peak 165 #SUP 0.99 #QF 0.97
 18 GLU  HB3    19 GLY  H       4.58            #peak 168 #SUP 1.00 #QF 0.95
 18 GLU  HB2    19 GLY  H       4.58            #peak 170 #SUP 0.92 #QF 0.88
 11 ARG  HB2    13 PHE  H       4.62            #peak 175 #SUP 0.33 #QF 0.33
 11 ARG  HB2    12 LYS  H       4.11            #peak 178 #SUP 0.95 #QF 0.79
 11 ARG  H      11 ARG  HB3     4.05            #peak 187 #SUP 0.66 #QF 0.48
 11 ARG  HB3    12 LYS  H       4.36            #peak 187 #SUP 0.66 #QF 0.48
  4 ILE  QG2     6 ARG  H       4.65            #peak 209 #SUP 0.72 #QF 0.72
  6 ARG  HB3     6 ARG  HE      5.13            #peak 211 #SUP 0.76 #QF 0.45
 11 ARG  HB2    11 ARG  HE      5.34            #peak 211 #SUP 0.76 #QF 0.45
  5 ARG  HB3     5 ARG  HE      5.02            #peak 212 #SUP 0.96 #QF 0.50
  5 ARG  HB2     5 ARG  HE      5.02            #peak 213 #SUP 0.83 #QF 0.70
 11 ARG  HB3    11 ARG  HE      5.38            #peak 213 #SUP 0.83 #QF 0.70
  3 HIS  HB3    21 PHE  HZ      4.70            #peak 225 #SUP 0.98 #QF 0.98
  3 HIS  HB2    21 PHE  HZ      4.70            #peak 226 #SUP 0.93 #QF 0.93
  8 PRO  HD2    24 PRO  HD3     4.50            #peak 257 #SUP 0.78 #QF 0.78
  7 LYS  HA      8 PRO  HD3     3.37            #peak 279 #SUP 0.93 #QF 0.93
  7 LYS  HA      8 PRO  HD2     3.54            #peak 280 #SUP 0.90 #QF 0.90
 23 CYSS HA     24 PRO  HD3     3.65            #peak 284 #SUP 0.78 #QF 0.78
 23 CYSS HA     24 PRO  HD2     3.79            #peak 285 #SUP 0.74 #QF 0.74
 20 LYS  HA     21 PHE  HB2     4.62            #peak 293 #SUP 0.87 #QF 0.87
 11 ARG  HA     11 ARG  HG3     4.18            #peak 320 #SUP 0.94 #QF 0.94
 11 ARG  HB3    16 TYR  QE      4.72            #peak 439 #SUP 0.42 #QF 0.42
 22 TRP  HB3    23 CYSS H       4.91            #peak 445 #SUP 0.95 #QF 0.95
 22 TRP  HA     22 TRP  HE3     4.20            #peak 449 #SUP 0.90 #QF 0.90
 13 PHE  HB2    14 LYS  H       4.26            #peak 451 #SUP 0.96 #QF 0.96
 16 TYR  HA     16 TYR  QD      3.92            #peak 457 #SUP 1.00
 21 PHE  HA     21 PHE  QD      4.71            #peak 459 #SUP 0.99 #QF 0.99
 20 LYS  HA     22 TRP  HD1     4.84            #peak 513 #SUP 0.89 #QF 0.37
 21 PHE  QD     21 PHE  HZ      3.84            #peak 522 #SUP 0.97 #QF 0.97
 22 TRP  HA     22 TRP  HD1     4.54            #peak 3 #SUP 0.93 #QF 0.93
 14 LYS  HD2    22 TRP  HE3     5.50            #peak 22 #SUP 0.72 #QF 0.72
 15 LEU  QD2    22 TRP  HE3     5.50            #peak 24 #SUP 0.91 #QF 0.22
 15 LEU  QD1    22 TRP  HE3     5.50            #peak 25 #SUP 0.77 #QF 0.77
 14 LYS  HD3    22 TRP  HE3     5.50            #peak 30 #SUP 0.52 #QF 0.23
 16 TYR  QE     18 GLU  HB2     5.50            #peak 31 #SUP 0.97 #QF 0.97
 16 TYR  QE     18 GLU  HB3     5.50            #peak 33 #SUP 0.99 #QF 0.99
 16 TYR  HB2    22 TRP  HZ2     5.50            #peak 54 #SUP 0.58 #QF 0.22
 16 TYR  HB3    22 TRP  HZ2     5.50            #peak 54 #SUP 0.58 #QF 0.22
  6 ARG  HB2     6 ARG  HE      5.13            #peak 77 #SUP 0.81 #QF 0.35
 11 ARG  HE     14 LYS  HG3     5.50            #peak 86 #SUP 0.24 #QF 0.24
 11 ARG  HE     14 LYS  HG2     5.50            #peak 87 #SUP 0.84 #QF 0.21
 15 LEU  QD1    22 TRP  HZ2     5.50            #peak 90 #SUP 0.86 #QF 0.20
 15 LEU  QD2    22 TRP  HD1     5.24            #peak 91 #SUP 0.93 #QF 0.71
 15 LEU  QD2    22 TRP  HZ2     5.50            #peak 91 #SUP 0.93 #QF 0.71
 15 LEU  QD1    22 TRP  HD1     5.24            #peak 92 #SUP 0.80 #QF 0.62
 11 ARG  HB3    22 TRP  HH2     5.50            #peak 99 #SUP 0.79 #QF 0.57
 15 LEU  HA     22 TRP  HE3     5.44            #peak 102 #SUP 0.66 #QF 0.66
 15 LEU  HA     22 TRP  HZ2     5.21            #peak 110 #SUP 0.88 #QF 0.58
  3 HIS  HA     21 PHE  HZ      5.50            #peak 115 #SUP 0.96 #QF 0.96
 16 TYR  HA     22 TRP  HZ2     5.50            #peak 117 #SUP 0.44 #QF 0.44
  3 HIS  HA     21 PHE  QE      5.50            #peak 124 #SUP 0.52 #QF 0.52
 16 TYR  QD     17 HIS  HA      5.04            #peak 127 #SUP 0.58 #QF 0.58
 15 LEU  HA     22 TRP  HH2     5.50            #peak 128 #SUP 0.81 #QF 0.26
 11 ARG  HE     22 TRP  HE3     4.62            #peak 172 #SUP 0.76 #QF 0.76
 16 TYR  QE     22 TRP  HH2     3.65            #peak 176 #SUP 0.99 #QF 0.99
 16 TYR  HB2    17 HIS  HA      5.05            #peak 225 #SUP 0.91 #QF 0.91
 11 ARG  HA     11 ARG  HG2     4.18            #peak 258 #SUP 0.86 #QF 0.29
  4 ILE  HA      4 ILE  QD1     3.86            #peak 272 #SUP 0.96 #QF 0.94
  1 THR  HA      1 THR  QG2     3.69            #peak 280 #SUP 1.00
  6 ARG  HA      7 LYS  HA      4.81            #peak 302 #SUP 0.63 #QF 0.29
 14 LYS  HA     15 LEU  HA      4.61            #peak 313 #SUP 0.24 #QF 0.24
  8 PRO  HD2    24 PRO  HD2     4.00            #peak 356 #SUP 0.54 #QF 0.54
 15 LEU  QD1    22 TRP  HB3     5.40            #peak 368 #SUP 0.90 #QF 0.26
 15 LEU  QD2    22 TRP  HB3     5.40            #peak 368 #SUP 0.90 #QF 0.26
 15 LEU  HB3    15 LEU  QD2     3.68            #peak 475 #SUP 0.58 #QF 0.58
 15 LEU  HB2    15 LEU  QD1     3.68            #peak 482 #SUP 0.99 #QF 0.99
 15 LEU  HB2    15 LEU  QD2     3.68            #peak 524 #SUP 0.59 #QF 0.59
 15 LEU  HB3    15 LEU  QD1     3.68            #peak 528 #SUP 0.99 #QF 0.41
  3 HIS  H       3 HIS  QB      3.70            #peak 76
  3 HIS  QB      4 ILE  HA      5.34            #peak 231
  3 HIS  QB     21 PHE  QE      4.79            #peak 59
  3 HIS  QB     21 PHE  HZ      3.84            #peak 226
  4 ILE  HA      4 ILE  QG1     3.73            #peak 269
  4 ILE  HA      5 ARG  QG      4.37            #peak 323
  5 ARG  H       5 ARG  QB      3.60            #peak 163
  5 ARG  HA      5 ARG  QD      4.80            #peak 230
  5 ARG  QB      5 ARG  HE      4.30            #peak 213
  5 ARG  QB      6 ARG  HA      5.34            #peak 249
  5 ARG  QG      6 ARG  H       3.53            #peak 193
  5 ARG  QG      6 ARG  HA      4.89            #peak 260
  6 ARG  H       6 ARG  QB      3.26            #peak 181
  6 ARG  HA      6 ARG  QD      4.27            #peak 229
  6 ARG  HA      7 LYS  QD      5.34            #peak 249
  6 ARG  QB      6 ARG  QD      3.26            #peak 378
  6 ARG  QB      6 ARG  HE      4.46            #peak 211
  6 ARG  QG      6 ARG  HE      3.57            #peak 216
  7 LYS  H       7 LYS  QB      3.42            #peak 176
  7 LYS  H       7 LYS  QG      4.10            #peak 200
  7 LYS  H       7 LYS  QD      3.43            #peak 186
  7 LYS  HA      7 LYS  QD      4.03            #peak 464
  7 LYS  QB      8 PRO  HD2     4.06            #peak 344
  7 LYS  QG      8 PRO  HD2     4.50            #peak 292
  8 PRO  QB      9 LYS  H       4.08            #peak 167
  8 PRO  QG     11 ARG  HE      4.73            #peak 66
  9 LYS  H       9 LYS  QG      5.11            #peak 207
  9 LYS  HA      9 LYS  QD      4.23            #peak 263
 10 PHE  H      10 PHE  QB      3.49            #peak 143
 10 PHE  QB     11 ARG  H       4.24            #peak 453
 11 ARG  H      11 ARG  QG      3.96            #peak 195
 11 ARG  H      11 ARG  QD      4.80            #peak 452
 11 ARG  HA     11 ARG  QG      3.53            #peak 320
 11 ARG  HB3    11 ARG  QD      3.54            #peak 347
 12 LYS  HA     12 LYS  QG      3.62            #peak 264
 13 PHE  H      13 PHE  QB      3.31            #peak 150
 13 PHE  QB     14 LYS  H       3.60            #peak 144
 13 PHE  QB     14 LYS  HA      5.34            #peak 228
 13 PHE  QB     16 TYR  QD      5.19            #peak 60
 13 PHE  QB     16 TYR  QE      5.34            #peak 134
 14 LYS  H      14 LYS  QG      4.57            #peak 201
 14 LYS  HA     14 LYS  QG      3.54            #peak 262
 14 LYS  HA     14 LYS  QD      4.43            #peak 486
 14 LYS  HA     14 LYS  QE      5.34            #peak 231
 14 LYS  QG     15 LEU  H       4.77            #peak 203
 14 LYS  QD     15 LEU  H       5.16            #peak 192
 14 LYS  QE     22 TRP  HE3     4.44            #peak 422
 15 LEU  H      15 LEU  QB      3.42            #peak 198
 15 LEU  HA     15 LEU  QQD     3.48            #peak 574
 15 LEU  QB     15 LEU  QQD     2.76            #peak 524
 15 LEU  QQD    22 TRP  QB      3.89            #peak 369
 15 LEU  QQD    22 TRP  HD1     4.41            #peak 92
 15 LEU  QQD    22 TRP  HZ2     4.83            #peak 90
 15 LEU  QQD    22 TRP  HH2     5.33            #peak 93
 16 TYR  HB2    17 HIS  QB      3.86            #peak 419
 16 TYR  QD     18 GLU  QB      5.28            #peak 96
 16 TYR  QD     18 GLU  QG      5.34            #peak 36
 16 TYR  QE     18 GLU  QB      4.62            #peak 31
 16 TYR  QE     18 GLU  QG      5.25            #peak 34
 18 GLU  H      18 GLU  QG      4.42            #peak 166
 18 GLU  HA     18 GLU  QG      3.55            #peak 234
 18 GLU  QB     19 GLY  H       3.99            #peak 170
 18 GLU  QG     19 GLY  H       4.58            #peak 166
 20 LYS  H      20 LYS  QG      4.22            #peak 205
 20 LYS  HA     20 LYS  QG      3.59            #peak 266
 20 LYS  QB     21 PHE  HA      4.53            #peak 316
 20 LYS  QG     22 TRP  HD1     5.23            #peak 88
 21 PHE  H      22 TRP  QB      4.93            #peak 452
 22 TRP  QB     22 TRP  HD1     3.42            #peak 413
 22 TRP  QB     22 TRP  HE3     3.65            #peak 14
 22 TRP  QB     23 CYSS H       4.24            #peak 446
  2 CYSS SG     23 CYSS SG      2.10
  2 CYSS SG     23 CYSS CB      3.10
  2 CYSS CB     23 CYSS SG      3.10
   3   HIS  PHI    -149.4   -70.6
   3   HIS  PSI      90.3   191.6
   7   LYS  PHI    -108.4   -47.1
   7   LYS  PSI      96.2   175.0
   #8   PRO  PHI     -90.5   -50.5
   8   PRO  PSI     131.8   171.8
  13   PHE  PHI    -169.6   -55.7
  13   PHE  PSI      88.6   185.7
  17   HIS  PHI    -173.1   -63.5
  17   HIS  PSI      70.2   200.3
  18   GLU  PHI    -150.6   -83.3
  18   GLU  PSI      92.0   171.3
  20   LYS  PHI    -143.2   -23.2
  20   LYS  PSI      91.6   195.9
  22   TRP  PHI    -139.2   -74.2
  22   TRP  PSI     79.8   185.3
  23   CYSS  PHI    -182.1   -48.8
  23   CYSS  PSI     101.5   180.9
   1 THR   PHI    -175.0    75.0 5.00E-01 type=2
   1 THR   PSI     -75.0   185.0 5.00E-01 type=2
   1 THR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   1 THR   PSI      25.0    55.0 5.00E-01 type=2
   1 THR   PHI    -135.0    75.0 5.00E-01 type=2 OR
   1 THR   PSI     105.0   185.0 5.00E-01 type=2
   2 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   2 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   2 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   2 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   3 HIS   PHI    -175.0    75.0 5.00E-01 type=2
   3 HIS   PSI     -75.0   185.0 5.00E-01 type=2
   3 HIS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 HIS   PSI      25.0    55.0 5.00E-01 type=2
   3 HIS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 HIS   PSI     105.0   185.0 5.00E-01 type=2
   4 ILE   PHI    -175.0    75.0 5.00E-01 type=2
   4 ILE   PSI     -75.0   185.0 5.00E-01 type=2
   4 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 ILE   PSI      25.0    55.0 5.00E-01 type=2
   4 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 ILE   PSI     105.0   185.0 5.00E-01 type=2
   5 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   5 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   5 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 ARG   PSI      25.0    55.0 5.00E-01 type=2
   5 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 ARG   PSI     105.0   185.0 5.00E-01 type=2
   6 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   6 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   6 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 ARG   PSI      25.0    55.0 5.00E-01 type=2
   6 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 ARG   PSI     105.0   185.0 5.00E-01 type=2
   9 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   9 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   9 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 LYS   PSI      25.0    55.0 5.00E-01 type=2
   9 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 LYS   PSI     105.0   185.0 5.00E-01 type=2
  10 PHE   PHI    -175.0    75.0 5.00E-01 type=2
  10 PHE   PSI     -75.0   185.0 5.00E-01 type=2
  10 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 PHE   PSI      25.0    55.0 5.00E-01 type=2
  10 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 PHE   PSI     105.0   185.0 5.00E-01 type=2
  11 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  11 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  11 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 ARG   PSI      25.0    55.0 5.00E-01 type=2
  11 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 ARG   PSI     105.0   185.0 5.00E-01 type=2
  12 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  12 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  12 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 LYS   PSI      25.0    55.0 5.00E-01 type=2
  12 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 LYS   PSI     105.0   185.0 5.00E-01 type=2
  13 PHE   PHI    -175.0    75.0 5.00E-01 type=2
  13 PHE   PSI     -75.0   185.0 5.00E-01 type=2
  13 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 PHE   PSI      25.0    55.0 5.00E-01 type=2
  13 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 PHE   PSI     105.0   185.0 5.00E-01 type=2
  14 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  14 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  14 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 LYS   PSI      25.0    55.0 5.00E-01 type=2
  14 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 LYS   PSI     105.0   185.0 5.00E-01 type=2
  15 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  15 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  15 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 LEU   PSI      25.0    55.0 5.00E-01 type=2
  15 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 LEU   PSI     105.0   185.0 5.00E-01 type=2
  16 TYR   PHI    -175.0    75.0 5.00E-01 type=2
  16 TYR   PSI     -75.0   185.0 5.00E-01 type=2
  16 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 TYR   PSI      25.0    55.0 5.00E-01 type=2
  16 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 TYR   PSI     105.0   185.0 5.00E-01 type=2
  17 HIS   PHI    -175.0    75.0 5.00E-01 type=2
  17 HIS   PSI     -75.0   185.0 5.00E-01 type=2
  17 HIS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  17 HIS   PSI      25.0    55.0 5.00E-01 type=2
  17 HIS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  17 HIS   PSI     105.0   185.0 5.00E-01 type=2
  18 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  18 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  18 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 GLU   PSI      25.0    55.0 5.00E-01 type=2
  18 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 GLU   PSI     105.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  20 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  20 LYS   PSI      25.0    55.0 5.00E-01 type=2
  20 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  20 LYS   PSI     105.0   185.0 5.00E-01 type=2
  21 PHE   PHI    -175.0    75.0 5.00E-01 type=2
  21 PHE   PSI     -75.0   185.0 5.00E-01 type=2
  21 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  21 PHE   PSI      25.0    55.0 5.00E-01 type=2
  21 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  21 PHE   PSI     105.0   185.0 5.00E-01 type=2
  22 TRP   PHI    -175.0    75.0 5.00E-01 type=2
  22 TRP   PSI     -75.0   185.0 5.00E-01 type=2
  22 TRP   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  22 TRP   PSI      25.0    55.0 5.00E-01 type=2
  22 TRP   PHI    -135.0    75.0 5.00E-01 type=2 OR
  22 TRP   PSI     105.0   185.0 5.00E-01 type=2
   1 THR   CHI1    -90.0   210.0 2.00E-01 type=2
   1 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
   1 THR   CHI1   -210.0    90.0 2.00E-01 type=2
   2 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   2 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   2 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   3 HIS   CHI1    -90.0   210.0 2.00E-01 type=2
   3 HIS   CHI1   -330.0   -30.0 2.00E-01 type=2
   3 HIS   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
   4 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
   4 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   5 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   5 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   5 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   7 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   7 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   7 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  10 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
  10 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  12 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  12 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  12 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  12 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  12 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  12 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  12 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  12 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  12 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  12 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  12 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  13 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
  13 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  15 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  15 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  15 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  15 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  15 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  15 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  16 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
  16 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
  17 HIS   CHI1    -90.0   210.0 2.00E-01 type=2
  17 HIS   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 HIS   CHI1   -210.0    90.0 2.00E-01 type=2
  18 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  18 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  18 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  18 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  18 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  21 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
  21 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
  21 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
  22 TRP   CHI1    -90.0   210.0 2.00E-01 type=2
  22 TRP   CHI1   -330.0   -30.0 2.00E-01 type=2
  22 TRP   CHI1   -210.0    90.0 2.00E-01 type=2
  23 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  23 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  23 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
var info echo
echo:=off
info:=none
atom stereo "HB2  HB3     5"   # ARG
atom stereo "HG2  HG3     5"   # ARG
atom stereo "HD2  HD3     8"   # PRO
atom stereo "HB2  HB3    16"   # TYR
atom stereo "HB2  HB3    20"   # LYS
atom stereo "HB2  HB3    21"   # PHE
unset info
print "    6 stereospecific assignments defined."

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H        THR   1   1.806   0.001   0.856
    2    HA   THR   1           HA       THR   1   1.469   0.416  -2.018
    3    HB   THR   1           HB       THR   1   3.951   0.743  -2.017
    4    HG1  THR   1           HG1      THR   1   4.940   0.975   0.053
    5   HG21  THR   1          3HG2      THR   1   3.037   2.626   0.056
    6   HG22  THR   1          1HG2      THR   1   1.994   2.500  -1.360
    7   HG23  THR   1          2HG2      THR   1   3.692   2.939  -1.551
    8    H    CYS   2           H        CYS   2   2.320  -0.957  -3.575
    9    HA   CYS   2           HA       CYS   2   3.273  -3.574  -2.620
   10    HB2  CYS   2           2HB      CYS   2   1.470  -3.201  -5.013
   11    HB3  CYS   2           3HB      CYS   2   1.942  -4.715  -4.248
   12    H    HIS   3           H        HIS   3   5.365  -3.573  -3.168
   13    HA   HIS   3           HA       HIS   3   6.041  -3.296  -5.987
   14    HB2  HIS   3           2HB      HIS   3   6.917  -1.436  -3.854
   15    HB3  HIS   3           3HB      HIS   3   8.167  -1.978  -4.970
   16    HD1  HIS   3           HD1      HIS   3   6.835   0.955  -4.722
   17    HD2  HIS   3           HD2      HIS   3   6.144  -1.892  -7.668
   18    HE1  HIS   3           HE1      HIS   3   6.010   2.241  -6.719
   19    H    ILE   4           H        ILE   4   6.727  -5.343  -6.261
   20    HA   ILE   4           HA       ILE   4   9.115  -6.158  -4.797
   21    HB   ILE   4           HB       ILE   4   6.771  -8.034  -5.098
   22   HG12  ILE   4          2HG1      ILE   4   7.766  -6.636  -2.606
   23   HG13  ILE   4          3HG1      ILE   4   6.292  -6.224  -3.476
   24   HG21  ILE   4          1HG2      ILE   4   9.555  -8.387  -4.465
   25   HG22  ILE   4          2HG2      ILE   4   8.541  -8.914  -3.123
   26   HG23  ILE   4          3HG2      ILE   4   8.304  -9.600  -4.730
   27   HD11  ILE   4          3HD1      ILE   4   5.466  -8.524  -3.021
   28   HD12  ILE   4          1HD1      ILE   4   6.887  -8.778  -2.008
   29   HD13  ILE   4          2HD1      ILE   4   5.708  -7.538  -1.579
   30    H    ARG   5           H        ARG   5  10.478  -7.508  -5.941
   31    HA   ARG   5           HA       ARG   5  10.095  -7.524  -8.794
   32    HB2  ARG   5           2HB      ARG   5  12.344  -8.483  -8.881
   33    HB3  ARG   5           3HB      ARG   5  12.302  -7.071  -7.835
   34    HG2  ARG   5           2HG      ARG   5  12.206  -8.542  -5.873
   35    HG3  ARG   5           3HG      ARG   5  12.298  -9.945  -6.940
   36    HD2  ARG   5           2HD      ARG   5  14.381  -7.787  -7.004
   37    HD3  ARG   5           3HD      ARG   5  14.464  -9.108  -5.839
   38    HE   ARG   5           HE       ARG   5  14.112 -10.242  -8.352
   39   HH11  ARG   5          1HH1      ARG   5  16.487  -8.335  -6.665
   40   HH12  ARG   5          2HH1      ARG   5  17.826  -8.974  -7.560
   41   HH21  ARG   5          1HH2      ARG   5  15.866 -11.091  -9.537
   42   HH22  ARG   5          2HH2      ARG   5  17.472 -10.541  -9.194
   43    H    ARG   6           H        ARG   6  10.086  -9.888  -6.185
   44    HA   ARG   6           HA       ARG   6   9.107 -11.896  -8.106
   45    HB2  ARG   6           2HB      ARG   6  11.079 -12.163  -5.864
   46    HB3  ARG   6           3HB      ARG   6  10.098 -13.545  -6.334
   47    HG2  ARG   6           2HG      ARG   6  11.566 -12.072  -8.456
   48    HG3  ARG   6           3HG      ARG   6  12.476 -13.127  -7.372
   49    HD2  ARG   6           2HD      ARG   6  10.735 -14.908  -7.924
   50    HD3  ARG   6           3HD      ARG   6  10.232 -13.845  -9.237
   51    HE   ARG   6           HE       ARG   6  12.899 -14.077  -9.618
   52   HH11  ARG   6          1HH1      ARG   6  10.333 -16.389  -9.187
   53   HH12  ARG   6          2HH1      ARG   6  11.095 -17.610 -10.152
   54   HH21  ARG   6          1HH2      ARG   6  13.912 -15.676 -10.891
   55   HH22  ARG   6          2HH2      ARG   6  13.131 -17.203 -11.120
   56    H    LYS   7           H        LYS   7   6.945 -11.622  -7.722
   57    HA   LYS   7           HA       LYS   7   5.669 -11.142  -5.323
   58    HB2  LYS   7           2HB      LYS   7   3.680 -12.272  -6.381
   59    HB3  LYS   7           3HB      LYS   7   4.419 -11.001  -7.347
   60    HG2  LYS   7           2HG      LYS   7   4.021 -12.680  -8.888
   61    HG3  LYS   7           3HG      LYS   7   5.722 -12.909  -8.477
   62    HD2  LYS   7           2HD      LYS   7   5.337 -14.876  -7.408
   63    HD3  LYS   7           3HD      LYS   7   3.747 -14.373  -6.829
   64    HE2  LYS   7           2HE      LYS   7   3.218 -16.011  -8.375
   65    HE3  LYS   7           3HE      LYS   7   3.065 -14.534  -9.324
   66    HZ1  LYS   7           3HZ      LYS   7   5.047 -14.946 -10.429
   67    HZ2  LYS   7           1HZ      LYS   7   4.350 -16.484 -10.324
   68    HZ3  LYS   7           2HZ      LYS   7   5.598 -16.047  -9.269
   69    HA   PRO   8           HA       PRO   8   5.927 -14.781  -2.882
   70    HB2  PRO   8           2HB      PRO   8   3.504 -14.780  -1.658
   71    HB3  PRO   8           3HB      PRO   8   4.785 -13.631  -1.253
   72    HG2  PRO   8           2HG      PRO   8   2.391 -13.258  -3.012
   73    HG3  PRO   8           3HG      PRO   8   3.074 -12.155  -1.803
   74    HD2  PRO   8           2HD      PRO   8   3.519 -11.863  -4.458
   75    HD3  PRO   8           3HD      PRO   8   4.720 -11.406  -3.233
   76    H    LYS   9           H        LYS   9   5.712 -16.893  -3.284
   77    HA   LYS   9           HA       LYS   9   3.261 -18.093  -4.108
   78    HB2  LYS   9           2HB      LYS   9   4.255 -17.004  -6.230
   79    HB3  LYS   9           3HB      LYS   9   5.457 -18.285  -6.155
   80    HG2  LYS   9           2HG      LYS   9   2.615 -19.095  -5.999
   81    HG3  LYS   9           3HG      LYS   9   3.206 -18.500  -7.552
   82    HD2  LYS   9           2HD      LYS   9   5.208 -20.195  -6.817
   83    HD3  LYS   9           3HD      LYS   9   3.794 -21.004  -6.138
   84    HE2  LYS   9           2HE      LYS   9   4.119 -21.839  -8.350
   85    HE3  LYS   9           3HE      LYS   9   2.700 -20.792  -8.375
   86    HZ1  LYS   9           3HZ      LYS   9   5.216 -19.485  -8.973
   87    HZ2  LYS   9           1HZ      LYS   9   3.705 -19.321  -9.717
   88    HZ3  LYS   9           2HZ      LYS   9   4.710 -20.621 -10.120
   89    H    PHE  10           H        PHE  10   3.359 -20.388  -4.136
   90    HA   PHE  10           HA       PHE  10   4.018 -22.377  -3.241
   91    HB2  PHE  10           2HB      PHE  10   5.557 -22.064  -5.272
   92    HB3  PHE  10           3HB      PHE  10   6.809 -21.647  -4.108
   93    HD1  PHE  10           HD2      PHE  10   4.184 -24.290  -4.387
   94    HD2  PHE  10           HD1      PHE  10   8.276 -23.347  -3.694
   95    HE1  PHE  10           HE2      PHE  10   4.677 -26.679  -4.069
   96    HE2  PHE  10           HE1      PHE  10   8.776 -25.735  -3.376
   97    HZ   PHE  10           HZ       PHE  10   6.975 -27.405  -3.562
   98    H    ARG  11           H        ARG  11   3.759 -20.559  -1.286
   99    HA   ARG  11           HA       ARG  11   6.109 -21.003   0.437
  100    HB2  ARG  11           2HB      ARG  11   5.493 -18.969   1.648
  101    HB3  ARG  11           3HB      ARG  11   5.762 -18.629  -0.056
  102    HG2  ARG  11           2HG      ARG  11   2.984 -19.231   0.732
  103    HG3  ARG  11           3HG      ARG  11   3.662 -17.711   1.319
  104    HD2  ARG  11           2HD      ARG  11   4.244 -17.079  -0.962
  105    HD3  ARG  11           3HD      ARG  11   3.610 -18.612  -1.559
  106    HE   ARG  11           HE       ARG  11   2.097 -16.286  -0.789
  107   HH11  ARG  11          1HH1      ARG  11   2.030 -19.733  -1.273
  108   HH12  ARG  11          2HH1      ARG  11   0.317 -19.795  -1.527
  109   HH21  ARG  11          1HH2      ARG  11  -0.158 -16.355  -1.122
  110   HH22  ARG  11          2HH2      ARG  11  -0.926 -17.873  -1.442
  111    H    LYS  12           H        LYS  12   5.773 -21.660   2.559
  112    HA   LYS  12           HA       LYS  12   3.334 -23.138   2.997
  113    HB2  LYS  12           2HB      LYS  12   5.945 -22.875   4.449
  114    HB3  LYS  12           3HB      LYS  12   4.565 -23.612   5.252
  115    HG2  LYS  12           2HG      LYS  12   4.460 -25.364   3.664
  116    HG3  LYS  12           3HG      LYS  12   5.594 -24.545   2.587
  117    HD2  LYS  12           2HD      LYS  12   6.928 -26.145   3.609
  118    HD3  LYS  12           3HD      LYS  12   7.232 -24.708   4.588
  119    HE2  LYS  12           2HE      LYS  12   5.665 -25.477   6.263
  120    HE3  LYS  12           3HE      LYS  12   5.233 -26.864   5.264
  121    HZ1  LYS  12           3HZ      LYS  12   8.051 -26.519   5.964
  122    HZ2  LYS  12           1HZ      LYS  12   7.154 -27.939   5.758
  123    HZ3  LYS  12           2HZ      LYS  12   7.001 -27.042   7.184
  124    H    PHE  13           H        PHE  13   5.091 -21.047   5.276
  125    HA   PHE  13           HA       PHE  13   2.643 -20.325   6.595
  126    HB2  PHE  13           2HB      PHE  13   5.500 -19.419   6.986
  127    HB3  PHE  13           3HB      PHE  13   4.158 -18.883   7.992
  128    HD1  PHE  13           HD1      PHE  13   6.152 -21.815   6.978
  129    HD2  PHE  13           HD2      PHE  13   3.302 -20.244   9.721
  130    HE1  PHE  13           HE1      PHE  13   6.444 -23.795   8.410
  131    HE2  PHE  13           HE2      PHE  13   3.590 -22.220  11.158
  132    HZ   PHE  13           HZ       PHE  13   5.163 -23.999  10.504
  133    H    LYS  14           H        LYS  14   1.444 -18.540   6.339
  134    HA   LYS  14           HA       LYS  14   2.270 -16.634   4.277
  135    HB2  LYS  14           2HB      LYS  14  -0.378 -17.366   5.495
  136    HB3  LYS  14           3HB      LYS  14  -0.186 -15.867   4.596
  137    HG2  LYS  14           2HG      LYS  14   0.586 -18.512   3.417
  138    HG3  LYS  14           3HG      LYS  14  -1.070 -17.904   3.343
  139    HD2  LYS  14           2HD      LYS  14   1.222 -16.196   2.448
  140    HD3  LYS  14           3HD      LYS  14   0.544 -17.422   1.373
  141    HE2  LYS  14           2HE      LYS  14  -1.084 -15.273   2.721
  142    HE3  LYS  14           3HE      LYS  14  -0.421 -15.128   1.094
  143    HZ1  LYS  14           3HZ      LYS  14  -1.702 -17.513   1.030
  144    HZ2  LYS  14           1HZ      LYS  14  -2.329 -16.051   0.452
  145    HZ3  LYS  14           2HZ      LYS  14  -2.722 -16.584   2.009
  146    H    LEU  15           H        LEU  15   2.524 -14.476   4.645
  147    HA   LEU  15           HA       LEU  15   3.093 -12.613   5.827
  148    HB2  LEU  15           2HB      LEU  15   0.558 -13.545   7.096
  149    HB3  LEU  15           3HB      LEU  15   1.417 -12.169   7.784
  150    HG   LEU  15           HG       LEU  15  -0.405 -11.486   6.288
  151   HD11  LEU  15          1HD1      LEU  15   1.388 -10.332   4.579
  152   HD12  LEU  15          2HD1      LEU  15   2.401 -10.746   5.961
  153   HD13  LEU  15          3HD1      LEU  15   0.976  -9.732   6.185
  154   HD21  LEU  15          3HD2      LEU  15   0.031 -13.567   4.781
  155   HD22  LEU  15          1HD2      LEU  15   1.152 -12.491   3.947
  156   HD23  LEU  15          2HD2      LEU  15  -0.556 -12.066   4.063
  157    H    TYR  16           H        TYR  16   4.435 -15.037   6.583
  158    HA   TYR  16           HA       TYR  16   4.611 -15.483   9.320
  159    HB2  TYR  16           2HB      TYR  16   7.035 -16.164   8.745
  160    HB3  TYR  16           3HB      TYR  16   5.721 -17.043   7.973
  161    HD1  TYR  16           HD1      TYR  16   7.613 -13.884   7.289
  162    HD2  TYR  16           HD2      TYR  16   6.124 -17.570   5.772
  163    HE1  TYR  16           HE1      TYR  16   8.564 -13.354   5.084
  164    HE2  TYR  16           HE2      TYR  16   7.072 -17.050   3.563
  165    HH   TYR  16           HH       TYR  16   8.679 -15.689   2.522
  166    H    HIS  17           H        HIS  17   6.901 -15.044  10.443
  167    HA   HIS  17           HA       HIS  17   7.009 -12.159  10.749
  168    HB2  HIS  17           2HB      HIS  17   7.886 -14.509  12.342
  169    HB3  HIS  17           3HB      HIS  17   8.804 -13.020  12.545
  170    HD1  HIS  17           HD1      HIS  17   7.973 -12.542  14.904
  171    HD2  HIS  17           HD2      HIS  17   4.908 -12.944  12.128
  172    HE1  HIS  17           HE1      HIS  17   5.893 -11.762  16.082
  173    H    GLU  18           H        GLU  18   7.944 -12.064   8.486
  174    HA   GLU  18           HA       GLU  18  10.821 -11.786   8.723
  175    HB2  GLU  18           2HB      GLU  18   9.796 -14.101   7.568
  176    HB3  GLU  18           3HB      GLU  18  10.196 -13.080   6.195
  177    HG2  GLU  18           2HG      GLU  18  12.472 -12.848   6.999
  178    HG3  GLU  18           3HG      GLU  18  12.083 -13.812   8.422
  179    H    GLY  19           H        GLY  19  10.580  -9.589   8.450
  180    HA2  GLY  19           2HA      GLY  19  10.496  -7.638   7.239
  181    HA3  GLY  19           3HA      GLY  19  10.465  -8.629   5.788
  182    H    LYS  20           H        LYS  20   8.789  -6.376   7.500
  183    HA   LYS  20           HA       LYS  20   6.116  -7.336   7.079
  184    HB2  LYS  20           2HB      LYS  20   7.376  -4.874   8.153
  185    HB3  LYS  20           3HB      LYS  20   5.755  -4.702   7.492
  186    HG2  LYS  20           2HG      LYS  20   5.342  -5.131   9.717
  187    HG3  LYS  20           3HG      LYS  20   5.191  -6.734   8.993
  188    HD2  LYS  20           2HD      LYS  20   7.881  -5.927   9.941
  189    HD3  LYS  20           3HD      LYS  20   6.663  -6.264  11.173
  190    HE2  LYS  20           2HE      LYS  20   6.557  -8.477  10.656
  191    HE3  LYS  20           3HE      LYS  20   6.916  -8.208   8.951
  192    HZ1  LYS  20           3HZ      LYS  20   8.981  -8.839   9.382
  193    HZ2  LYS  20           1HZ      LYS  20   8.676  -8.927  11.044
  194    HZ3  LYS  20           2HZ      LYS  20   9.183  -7.468  10.353
  195    H    PHE  21           H        PHE  21   5.912  -7.782   4.888
  196    HA   PHE  21           HA       PHE  21   5.008  -5.707   3.244
  197    HB2  PHE  21           2HB      PHE  21   7.707  -5.591   3.305
  198    HB3  PHE  21           3HB      PHE  21   7.482  -6.724   1.976
  199    HD1  PHE  21           HD1      PHE  21   5.282  -5.840   0.477
  200    HD2  PHE  21           HD2      PHE  21   8.154  -3.480   2.550
  201    HE1  PHE  21           HE1      PHE  21   4.836  -3.963  -1.049
  202    HE2  PHE  21           HE2      PHE  21   7.712  -1.599   1.028
  203    HZ   PHE  21           HZ       PHE  21   6.050  -1.838  -0.775
  204    H    TRP  22           H        TRP  22   3.394  -6.866   2.412
  205    HA   TRP  22           HA       TRP  22   4.072  -9.284   0.898
  206    HB2  TRP  22           2HB      TRP  22   2.102  -9.043   3.133
  207    HB3  TRP  22           3HB      TRP  22   1.723 -10.112   1.786
  208    HD1  TRP  22           HD1      TRP  22   4.453  -9.627   4.483
  209    HE1  TRP  22           HE1      TRP  22   5.523 -11.920   4.956
  210    HE3  TRP  22           HE3      TRP  22   2.039 -12.398   0.928
  211    HZ2  TRP  22           HZ2      TRP  22   5.365 -14.554   3.954
  212    HZ3  TRP  22           HZ3      TRP  22   2.557 -14.797   0.751
  213    HH2  TRP  22           HH2      TRP  22   4.186 -15.851   2.233
  214    H    CYS  23           H        CYS  23   3.901  -7.775  -0.889
  215    HA   CYS  23           HA       CYS  23   1.424  -7.912  -2.199
  216    HB2  CYS  23           2HB      CYS  23   1.092  -6.048  -0.396
  217    HB3  CYS  23           3HB      CYS  23   2.046  -5.062  -1.500
  218    HA   PRO  24           HA       PRO  24   4.898  -7.334  -5.053
  219    HB2  PRO  24           2HB      PRO  24   3.735  -8.722  -7.076
  220    HB3  PRO  24           3HB      PRO  24   4.584  -9.505  -5.738
  221    HG2  PRO  24           2HG      PRO  24   1.645  -9.093  -6.134
  222    HG3  PRO  24           3HG      PRO  24   2.505 -10.532  -5.555
  223    HD2  PRO  24           2HD      PRO  24   1.257  -8.808  -3.881
  224    HD3  PRO  24           3HD      PRO  24   2.724  -9.696  -3.418
  Start of MODEL    2
    1    H1   THR   1           H        THR   1   3.121   0.624  -0.365
    2    HA   THR   1           HA       THR   1   0.972   0.497  -2.199
    3    HB   THR   1           HB       THR   1   2.254   2.300  -3.315
    4    HG1  THR   1           HG1      THR   1   1.120   1.107  -4.753
    5   HG21  THR   1          3HG2      THR   1   4.468   0.699  -2.637
    6   HG22  THR   1          1HG2      THR   1   4.470   2.221  -3.527
    7   HG23  THR   1          2HG2      THR   1   4.368   0.690  -4.398
    8    H    CYS   2           H        CYS   2   1.262  -1.313  -3.784
    9    HA   CYS   2           HA       CYS   2   2.675  -3.491  -2.465
   10    HB2  CYS   2           2HB      CYS   2   0.793  -3.563  -4.832
   11    HB3  CYS   2           3HB      CYS   2   1.393  -4.957  -3.940
   12    H    HIS   3           H        HIS   3   4.771  -3.617  -2.988
   13    HA   HIS   3           HA       HIS   3   5.463  -4.022  -5.783
   14    HB2  HIS   3           2HB      HIS   3   5.756  -1.522  -4.995
   15    HB3  HIS   3           3HB      HIS   3   7.222  -2.151  -4.248
   16    HD1  HIS   3           HD1      HIS   3   5.641  -1.577  -7.608
   17    HD2  HIS   3           HD2      HIS   3   9.295  -2.726  -5.998
   18    HE1  HIS   3           HE1      HIS   3   7.265  -1.537  -9.528
   19    H    ILE   4           H        ILE   4   7.336  -5.239  -6.092
   20    HA   ILE   4           HA       ILE   4   9.184  -5.884  -4.065
   21    HB   ILE   4           HB       ILE   4   7.205  -7.086  -3.142
   22   HG12  ILE   4          2HG1      ILE   4   9.409  -8.933  -4.080
   23   HG13  ILE   4          3HG1      ILE   4   9.564  -7.808  -2.734
   24   HG21  ILE   4          1HG2      ILE   4   6.050  -8.690  -4.267
   25   HG22  ILE   4          2HG2      ILE   4   6.541  -7.699  -5.639
   26   HG23  ILE   4          3HG2      ILE   4   7.440  -9.163  -5.244
   27   HD11  ILE   4          3HD1      ILE   4   8.149 -10.385  -2.903
   28   HD12  ILE   4          1HD1      ILE   4   9.001  -9.638  -1.552
   29   HD13  ILE   4          2HD1      ILE   4   7.366  -9.117  -1.961
   30    H    ARG   5           H        ARG   5  10.836  -7.278  -4.786
   31    HA   ARG   5           HA       ARG   5  11.479  -7.168  -7.468
   32    HB2  ARG   5           2HB      ARG   5  13.125  -8.997  -6.951
   33    HB3  ARG   5           3HB      ARG   5  13.196  -7.612  -5.870
   34    HG2  ARG   5           2HG      ARG   5  11.732  -8.936  -4.290
   35    HG3  ARG   5           3HG      ARG   5  12.048 -10.331  -5.324
   36    HD2  ARG   5           2HD      ARG   5  14.334 -10.325  -4.829
   37    HD3  ARG   5           3HD      ARG   5  14.287  -8.673  -4.215
   38    HE   ARG   5           HE       ARG   5  12.642 -10.305  -2.622
   39   HH11  ARG   5          1HH1      ARG   5  16.003  -9.749  -3.338
   40   HH12  ARG   5          2HH1      ARG   5  16.556 -10.267  -1.779
   41   HH21  ARG   5          1HH2      ARG   5  13.357 -10.990  -0.567
   42   HH22  ARG   5          2HH2      ARG   5  15.050 -10.973  -0.204
   43    H    ARG   6           H        ARG   6  10.018  -9.869  -5.680
   44    HA   ARG   6           HA       ARG   6   8.871 -10.843  -8.181
   45    HB2  ARG   6           2HB      ARG   6  10.802 -12.339  -6.456
   46    HB3  ARG   6           3HB      ARG   6   9.517 -13.226  -7.265
   47    HG2  ARG   6           2HG      ARG   6  11.314 -11.375  -8.784
   48    HG3  ARG   6           3HG      ARG   6  11.791 -13.036  -8.428
   49    HD2  ARG   6           2HD      ARG   6   9.293 -12.192  -9.893
   50    HD3  ARG   6           3HD      ARG   6  10.753 -12.839 -10.639
   51    HE   ARG   6           HE       ARG   6   8.702 -14.318  -9.266
   52   HH11  ARG   6          1HH1      ARG   6  12.031 -14.292 -10.284
   53   HH12  ARG   6          2HH1      ARG   6  12.185 -16.018 -10.269
   54   HH21  ARG   6          1HH2      ARG   6   8.892 -16.591  -9.243
   55   HH22  ARG   6          2HH2      ARG   6  10.399 -17.324  -9.678
   56    H    LYS   7           H        LYS   7   6.789 -11.281  -7.904
   57    HA   LYS   7           HA       LYS   7   5.399 -10.953  -5.543
   58    HB2  LYS   7           2HB      LYS   7   3.559 -12.248  -6.677
   59    HB3  LYS   7           3HB      LYS   7   4.206 -10.901  -7.605
   60    HG2  LYS   7           2HG      LYS   7   4.014 -12.589  -9.176
   61    HG3  LYS   7           3HG      LYS   7   5.715 -12.665  -8.712
   62    HD2  LYS   7           2HD      LYS   7   5.479 -14.668  -7.660
   63    HD3  LYS   7           3HD      LYS   7   3.822 -14.329  -7.156
   64    HE2  LYS   7           2HE      LYS   7   3.481 -14.461  -9.821
   65    HE3  LYS   7           3HE      LYS   7   4.844 -15.565  -9.637
   66    HZ1  LYS   7           3HZ      LYS   7   3.568 -17.093  -8.649
   67    HZ2  LYS   7           1HZ      LYS   7   2.264 -16.248  -9.319
   68    HZ3  LYS   7           2HZ      LYS   7   2.726 -15.960  -7.717
   69    HA   PRO   8           HA       PRO   8   5.918 -14.585  -3.134
   70    HB2  PRO   8           2HB      PRO   8   3.468 -14.826  -1.989
   71    HB3  PRO   8           3HB      PRO   8   4.623 -13.569  -1.531
   72    HG2  PRO   8           2HG      PRO   8   2.261 -13.395  -3.362
   73    HG3  PRO   8           3HG      PRO   8   2.801 -12.250  -2.120
   74    HD2  PRO   8           2HD      PRO   8   3.300 -11.882  -4.756
   75    HD3  PRO   8           3HD      PRO   8   4.413 -11.332  -3.487
   76    H    LYS   9           H        LYS   9   5.925 -16.696  -3.585
   77    HA   LYS   9           HA       LYS   9   3.612 -18.094  -4.522
   78    HB2  LYS   9           2HB      LYS   9   4.585 -16.936  -6.590
   79    HB3  LYS   9           3HB      LYS   9   5.942 -18.044  -6.432
   80    HG2  LYS   9           2HG      LYS   9   4.392 -18.911  -8.043
   81    HG3  LYS   9           3HG      LYS   9   4.368 -19.939  -6.608
   82    HD2  LYS   9           2HD      LYS   9   2.424 -18.005  -6.127
   83    HD3  LYS   9           3HD      LYS   9   2.228 -18.423  -7.831
   84    HE2  LYS   9           2HE      LYS   9   2.615 -20.694  -5.995
   85    HE3  LYS   9           3HE      LYS   9   1.111 -19.799  -5.789
   86    HZ1  LYS   9           3HZ      LYS   9   0.427 -21.196  -7.398
   87    HZ2  LYS   9           1HZ      LYS   9   1.985 -21.476  -7.995
   88    HZ3  LYS   9           2HZ      LYS   9   1.154 -20.068  -8.428
   89    H    PHE  10           H        PHE  10   3.876 -20.363  -4.496
   90    HA   PHE  10           HA       PHE  10   4.637 -22.291  -3.551
   91    HB2  PHE  10           2HB      PHE  10   6.177 -22.012  -5.526
   92    HB3  PHE  10           3HB      PHE  10   7.356 -21.306  -4.426
   93    HD1  PHE  10           HD1      PHE  10   5.131 -24.306  -4.377
   94    HD2  PHE  10           HD2      PHE  10   9.057 -22.736  -3.893
   95    HE1  PHE  10           HE1      PHE  10   5.960 -26.557  -3.831
   96    HE2  PHE  10           HE2      PHE  10   9.893 -24.985  -3.347
   97    HZ   PHE  10           HZ       PHE  10   8.344 -26.899  -3.316
   98    H    ARG  11           H        ARG  11   4.139 -20.629  -1.584
   99    HA   ARG  11           HA       ARG  11   6.497 -20.749   0.181
  100    HB2  ARG  11           2HB      ARG  11   5.582 -18.860   1.407
  101    HB3  ARG  11           3HB      ARG  11   5.751 -18.448  -0.294
  102    HG2  ARG  11           2HG      ARG  11   3.139 -19.474   0.712
  103    HG3  ARG  11           3HG      ARG  11   3.597 -17.797   1.014
  104    HD2  ARG  11           2HD      ARG  11   4.184 -17.970  -1.602
  105    HD3  ARG  11           3HD      ARG  11   2.876 -19.149  -1.511
  106    HE   ARG  11           HE       ARG  11   2.288 -16.621  -0.258
  107   HH11  ARG  11          1HH1      ARG  11   2.206 -18.468  -3.208
  108   HH12  ARG  11          2HH1      ARG  11   0.939 -17.523  -3.918
  109   HH21  ARG  11          1HH2      ARG  11   0.620 -15.370  -1.182
  110   HH22  ARG  11          2HH2      ARG  11   0.038 -15.760  -2.765
  111    H    LYS  12           H        LYS  12   6.236 -21.506   2.279
  112    HA   LYS  12           HA       LYS  12   4.051 -23.358   2.635
  113    HB2  LYS  12           2HB      LYS  12   6.540 -22.716   4.195
  114    HB3  LYS  12           3HB      LYS  12   5.291 -23.756   4.868
  115    HG2  LYS  12           2HG      LYS  12   5.670 -25.433   3.326
  116    HG3  LYS  12           3HG      LYS  12   6.425 -24.337   2.167
  117    HD2  LYS  12           2HD      LYS  12   8.316 -24.069   3.792
  118    HD3  LYS  12           3HD      LYS  12   7.584 -25.352   4.759
  119    HE2  LYS  12           2HE      LYS  12   8.400 -25.643   1.870
  120    HE3  LYS  12           3HE      LYS  12   9.396 -26.133   3.240
  121    HZ1  LYS  12           3HZ      LYS  12   7.410 -27.538   3.912
  122    HZ2  LYS  12           1HZ      LYS  12   8.295 -28.060   2.568
  123    HZ3  LYS  12           2HZ      LYS  12   6.816 -27.270   2.352
  124    H    PHE  13           H        PHE  13   5.429 -20.958   4.883
  125    HA   PHE  13           HA       PHE  13   2.832 -20.662   6.148
  126    HB2  PHE  13           2HB      PHE  13   5.308 -20.699   7.200
  127    HB3  PHE  13           3HB      PHE  13   5.113 -18.962   6.990
  128    HD1  PHE  13           HD1      PHE  13   3.556 -21.953   8.526
  129    HD2  PHE  13           HD2      PHE  13   3.854 -17.707   8.504
  130    HE1  PHE  13           HE1      PHE  13   2.251 -21.854  10.609
  131    HE2  PHE  13           HE2      PHE  13   2.551 -17.601  10.588
  132    HZ   PHE  13           HZ       PHE  13   1.748 -19.676  11.644
  133    H    LYS  14           H        LYS  14   1.709 -18.708   6.347
  134    HA   LYS  14           HA       LYS  14   2.290 -16.783   4.206
  135    HB2  LYS  14           2HB      LYS  14  -0.246 -17.520   5.655
  136    HB3  LYS  14           3HB      LYS  14  -0.124 -16.060   4.682
  137    HG2  LYS  14           2HG      LYS  14   0.478 -18.797   3.600
  138    HG3  LYS  14           3HG      LYS  14  -1.128 -18.068   3.548
  139    HD2  LYS  14           2HD      LYS  14   1.183 -16.502   2.509
  140    HD3  LYS  14           3HD      LYS  14   0.553 -17.828   1.529
  141    HE2  LYS  14           2HE      LYS  14  -1.076 -15.534   2.617
  142    HE3  LYS  14           3HE      LYS  14  -0.474 -15.660   0.965
  143    HZ1  LYS  14           3HZ      LYS  14  -2.778 -16.856   2.142
  144    HZ2  LYS  14           1HZ      LYS  14  -1.790 -18.017   1.409
  145    HZ3  LYS  14           2HZ      LYS  14  -2.363 -16.704   0.510
  146    H    LEU  15           H        LEU  15   2.604 -14.649   4.615
  147    HA   LEU  15           HA       LEU  15   3.259 -12.816   5.799
  148    HB2  LEU  15           2HB      LEU  15   0.801 -13.762   7.205
  149    HB3  LEU  15           3HB      LEU  15   1.710 -12.403   7.864
  150    HG   LEU  15           HG       LEU  15  -0.194 -11.676   6.502
  151   HD11  LEU  15          1HD1      LEU  15   1.180  -9.928   6.316
  152   HD12  LEU  15          2HD1      LEU  15   1.511 -10.524   4.690
  153   HD13  LEU  15          3HD1      LEU  15   2.587 -10.950   6.021
  154   HD21  LEU  15          3HD2      LEU  15  -0.524 -12.246   4.304
  155   HD22  LEU  15          1HD2      LEU  15   0.161 -13.746   4.929
  156   HD23  LEU  15          2HD2      LEU  15   1.178 -12.620   4.030
  157    H    TYR  16           H        TYR  16   4.641 -15.249   6.413
  158    HA   TYR  16           HA       TYR  16   4.978 -15.752   9.130
  159    HB2  TYR  16           2HB      TYR  16   7.353 -16.450   8.388
  160    HB3  TYR  16           3HB      TYR  16   5.979 -17.304   7.692
  161    HD1  TYR  16           HD2      TYR  16   7.842 -14.147   6.923
  162    HD2  TYR  16           HD1      TYR  16   6.249 -17.814   5.468
  163    HE1  TYR  16           HE2      TYR  16   8.649 -13.595   4.666
  164    HE2  TYR  16           HE1      TYR  16   7.053 -17.273   3.207
  165    HH   TYR  16           HH       TYR  16   7.659 -15.277   1.897
  166    H    HIS  17           H        HIS  17   7.402 -15.369  10.045
  167    HA   HIS  17           HA       HIS  17   7.546 -12.487  10.414
  168    HB2  HIS  17           2HB      HIS  17   7.575 -13.958  12.389
  169    HB3  HIS  17           3HB      HIS  17   9.053 -14.715  11.802
  170    HD1  HIS  17           HD1      HIS  17   8.255 -11.007  12.013
  171    HD2  HIS  17           HD2      HIS  17  10.906 -13.804  13.566
  172    HE1  HIS  17           HE1      HIS  17   9.909  -9.685  13.369
  173    H    GLU  18           H        GLU  18   8.314 -12.358   8.093
  174    HA   GLU  18           HA       GLU  18  11.204 -12.119   8.122
  175    HB2  GLU  18           2HB      GLU  18  10.064 -14.397   6.999
  176    HB3  GLU  18           3HB      GLU  18  10.382 -13.353   5.621
  177    HG2  GLU  18           2HG      GLU  18  12.268 -14.777   5.963
  178    HG3  GLU  18           3HG      GLU  18  12.722 -13.127   6.384
  179    H    GLY  19           H        GLY  19  10.983  -9.916   7.904
  180    HA2  GLY  19           2HA      GLY  19  10.823  -7.937   6.748
  181    HA3  GLY  19           3HA      GLY  19  10.692  -8.897   5.281
  182    H    LYS  20           H        LYS  20   9.114  -6.754   7.285
  183    HA   LYS  20           HA       LYS  20   6.427  -7.666   6.961
  184    HB2  LYS  20           2HB      LYS  20   7.762  -5.237   8.022
  185    HB3  LYS  20           3HB      LYS  20   6.098  -5.051   7.485
  186    HG2  LYS  20           2HG      LYS  20   5.774  -5.574   9.681
  187    HG3  LYS  20           3HG      LYS  20   5.713  -7.184   8.959
  188    HD2  LYS  20           2HD      LYS  20   7.782  -7.776   9.779
  189    HD3  LYS  20           3HD      LYS  20   8.338  -6.104   9.878
  190    HE2  LYS  20           2HE      LYS  20   7.966  -7.070  12.098
  191    HE3  LYS  20           3HE      LYS  20   6.882  -5.714  11.787
  192    HZ1  LYS  20           3HZ      LYS  20   6.050  -8.513  11.317
  193    HZ2  LYS  20           1HZ      LYS  20   5.075  -7.141  11.489
  194    HZ3  LYS  20           2HZ      LYS  20   5.883  -7.778  12.831
  195    H    PHE  21           H        PHE  21   6.080  -8.042   4.774
  196    HA   PHE  21           HA       PHE  21   5.071  -5.915   3.262
  197    HB2  PHE  21           2HB      PHE  21   7.766  -5.793   3.147
  198    HB3  PHE  21           3HB      PHE  21   7.458  -6.890   1.804
  199    HD1  PHE  21           HD2      PHE  21   5.306  -6.028   0.346
  200    HD2  PHE  21           HD1      PHE  21   8.018  -3.604   2.556
  201    HE1  PHE  21           HE2      PHE  21   4.761  -4.110  -1.095
  202    HE2  PHE  21           HE1      PHE  21   7.477  -1.681   1.119
  203    HZ   PHE  21           HZ       PHE  21   5.847  -1.933  -0.711
  204    H    TRP  22           H        TRP  22   3.404  -7.046   2.502
  205    HA   TRP  22           HA       TRP  22   3.978  -9.424   0.880
  206    HB2  TRP  22           2HB      TRP  22   2.138  -9.225   3.227
  207    HB3  TRP  22           3HB      TRP  22   1.673 -10.256   1.876
  208    HD1  TRP  22           HD1      TRP  22   4.566  -9.861   4.415
  209    HE1  TRP  22           HE1      TRP  22   5.634 -12.175   4.772
  210    HE3  TRP  22           HE3      TRP  22   1.902 -12.526   0.960
  211    HZ2  TRP  22           HZ2      TRP  22   5.381 -14.785   3.727
  212    HZ3  TRP  22           HZ3      TRP  22   2.377 -14.926   0.700
  213    HH2  TRP  22           HH2      TRP  22   4.081 -16.031   2.056
  214    H    CYS  23           H        CYS  23   3.722  -7.866  -0.855
  215    HA   CYS  23           HA       CYS  23   1.192  -7.960  -2.049
  216    HB2  CYS  23           2HB      CYS  23   1.044  -6.115  -0.127
  217    HB3  CYS  23           3HB      CYS  23   1.760  -5.112  -1.386
  218    HA   PRO  24           HA       PRO  24   4.527  -7.227  -5.028
  219    HB2  PRO  24           2HB      PRO  24   3.288  -8.546  -7.052
  220    HB3  PRO  24           3HB      PRO  24   4.205  -9.372  -5.787
  221    HG2  PRO  24           2HG      PRO  24   1.247  -8.979  -6.034
  222    HG3  PRO  24           3HG      PRO  24   2.147 -10.430  -5.553
  223    HD2  PRO  24           2HD      PRO  24   0.959  -8.790  -3.756
  224    HD3  PRO  24           3HD      PRO  24   2.453  -9.678  -3.396
  Start of MODEL    3
    1    H1   THR   1           H        THR   1   0.173   1.071  -3.025
    2    HA   THR   1           HA       THR   1   2.747   0.698  -2.249
    3    HB   THR   1           HB       THR   1   0.645  -0.439  -0.453
    4    HG1  THR   1           HG1      THR   1  -0.358   1.459  -0.234
    5   HG21  THR   1          3HG2      THR   1   3.057   1.333  -0.142
    6   HG22  THR   1          1HG2      THR   1   2.785  -0.274   0.531
    7   HG23  THR   1          2HG2      THR   1   1.880   1.107   1.151
    8    H    CYS   2           H        CYS   2   2.425  -1.244  -4.202
    9    HA   CYS   2           HA       CYS   2   3.076  -3.669  -2.675
   10    HB2  CYS   2           2HB      CYS   2   1.405  -3.616  -5.198
   11    HB3  CYS   2           3HB      CYS   2   1.900  -5.055  -4.313
   12    H    HIS   3           H        HIS   3   5.187  -3.918  -3.029
   13    HA   HIS   3           HA       HIS   3   6.118  -4.193  -5.769
   14    HB2  HIS   3           2HB      HIS   3   6.465  -1.780  -5.060
   15    HB3  HIS   3           3HB      HIS   3   7.610  -2.385  -3.867
   16    HD1  HIS   3           HD1      HIS   3   9.709  -1.410  -4.877
   17    HD2  HIS   3           HD2      HIS   3   7.526  -3.697  -7.572
   18    HE1  HIS   3           HE1      HIS   3  11.190  -1.669  -6.893
   19    H    ILE   4           H        ILE   4   6.956  -6.169  -5.743
   20    HA   ILE   4           HA       ILE   4   8.885  -6.840  -3.633
   21    HB   ILE   4           HB       ILE   4   6.844  -8.811  -4.659
   22   HG12  ILE   4          2HG1      ILE   4   5.773  -7.023  -3.322
   23   HG13  ILE   4          3HG1      ILE   4   5.711  -8.587  -2.517
   24   HG21  ILE   4          1HG2      ILE   4   8.391 -10.227  -3.866
   25   HG22  ILE   4          2HG2      ILE   4   9.215  -8.967  -2.948
   26   HG23  ILE   4          3HG2      ILE   4   7.782  -9.749  -2.282
   27   HD11  ILE   4          3HD1      ILE   4   6.709  -6.141  -1.533
   28   HD12  ILE   4          1HD1      ILE   4   6.670  -7.712  -0.733
   29   HD13  ILE   4          2HD1      ILE   4   8.074  -7.246  -1.693
   30    H    ARG   5           H        ARG   5  10.516  -8.303  -4.240
   31    HA   ARG   5           HA       ARG   5  11.552  -8.047  -6.785
   32    HB2  ARG   5           2HB      ARG   5  12.960 -10.049  -6.206
   33    HB3  ARG   5           3HB      ARG   5  12.977  -8.760  -5.009
   34    HG2  ARG   5           2HG      ARG   5  11.234 -10.051  -3.744
   35    HG3  ARG   5           3HG      ARG   5  11.516 -11.382  -4.867
   36    HD2  ARG   5           2HD      ARG   5  12.797 -11.591  -2.759
   37    HD3  ARG   5           3HD      ARG   5  13.819 -11.531  -4.194
   38    HE   ARG   5           HE       ARG   5  13.411  -8.971  -2.949
   39   HH11  ARG   5          1HH1      ARG   5  15.337 -11.871  -2.979
   40   HH12  ARG   5          2HH1      ARG   5  16.722 -11.115  -2.263
   41   HH21  ARG   5          1HH2      ARG   5  15.227  -7.964  -2.006
   42   HH22  ARG   5          2HH2      ARG   5  16.658  -8.893  -1.709
   43    H    ARG   6           H        ARG   6   9.393 -10.520  -5.512
   44    HA   ARG   6           HA       ARG   6   8.499 -11.200  -8.146
   45    HB2  ARG   6           2HB      ARG   6  10.467 -12.913  -6.750
   46    HB3  ARG   6           3HB      ARG   6   9.090 -13.745  -7.460
   47    HG2  ARG   6           2HG      ARG   6   9.757 -12.215  -9.538
   48    HG3  ARG   6           3HG      ARG   6  11.338 -12.339  -8.763
   49    HD2  ARG   6           2HD      ARG   6  10.917 -14.851  -8.684
   50    HD3  ARG   6           3HD      ARG   6   9.583 -14.549  -9.797
   51    HE   ARG   6           HE       ARG   6  12.397 -14.490 -10.400
   52   HH11  ARG   6          1HH1      ARG   6   9.227 -13.413 -11.353
   53   HH12  ARG   6          2HH1      ARG   6   9.666 -13.165 -13.010
   54   HH21  ARG   6          1HH2      ARG   6  12.988 -14.168 -12.580
   55   HH22  ARG   6          2HH2      ARG   6  11.806 -13.596 -13.707
   56    H    LYS   7           H        LYS   7   6.399 -11.596  -7.978
   57    HA   LYS   7           HA       LYS   7   4.970 -11.651  -5.618
   58    HB2  LYS   7           2HB      LYS   7   3.114 -12.653  -6.995
   59    HB3  LYS   7           3HB      LYS   7   3.823 -11.185  -7.654
   60    HG2  LYS   7           2HG      LYS   7   3.611 -12.554  -9.507
   61    HG3  LYS   7           3HG      LYS   7   5.299 -12.774  -9.039
   62    HD2  LYS   7           2HD      LYS   7   4.977 -14.925  -8.385
   63    HD3  LYS   7           3HD      LYS   7   3.329 -14.623  -7.829
   64    HE2  LYS   7           2HE      LYS   7   4.187 -14.807 -10.716
   65    HE3  LYS   7           3HE      LYS   7   3.421 -16.105  -9.801
   66    HZ1  LYS   7           3HZ      LYS   7   1.428 -15.212 -10.122
   67    HZ2  LYS   7           1HZ      LYS   7   2.143 -14.174 -11.251
   68    HZ3  LYS   7           2HZ      LYS   7   1.940 -13.670  -9.649
   69    HA   PRO   8           HA       PRO   8   5.324 -15.675  -3.899
   70    HB2  PRO   8           2HB      PRO   8   2.844 -16.033  -2.853
   71    HB3  PRO   8           3HB      PRO   8   4.029 -14.920  -2.158
   72    HG2  PRO   8           2HG      PRO   8   1.712 -14.335  -3.961
   73    HG3  PRO   8           3HG      PRO   8   2.262 -13.454  -2.525
   74    HD2  PRO   8           2HD      PRO   8   2.827 -12.633  -5.042
   75    HD3  PRO   8           3HD      PRO   8   3.931 -12.361  -3.679
   76    H    LYS   9           H        LYS   9   5.218 -17.705  -4.649
   77    HA   LYS   9           HA       LYS   9   3.018 -18.407  -6.479
   78    HB2  LYS   9           2HB      LYS   9   4.644 -19.818  -7.722
   79    HB3  LYS   9           3HB      LYS   9   5.010 -18.099  -7.804
   80    HG2  LYS   9           2HG      LYS   9   7.084 -18.694  -7.257
   81    HG3  LYS   9           3HG      LYS   9   6.453 -18.900  -5.621
   82    HD2  LYS   9           2HD      LYS   9   7.238 -20.995  -5.803
   83    HD3  LYS   9           3HD      LYS   9   5.794 -21.282  -6.776
   84    HE2  LYS   9           2HE      LYS   9   8.346 -20.280  -7.999
   85    HE3  LYS   9           3HE      LYS   9   8.061 -22.000  -7.739
   86    HZ1  LYS   9           3HZ      LYS   9   5.927 -21.647  -9.018
   87    HZ2  LYS   9           1HZ      LYS   9   7.359 -21.562  -9.915
   88    HZ3  LYS   9           2HZ      LYS   9   6.550 -20.143  -9.477
   89    H    PHE  10           H        PHE  10   5.367 -19.534  -4.106
   90    HA   PHE  10           HA       PHE  10   3.509 -21.519  -3.157
   91    HB2  PHE  10           2HB      PHE  10   5.901 -22.263  -4.766
   92    HB3  PHE  10           3HB      PHE  10   5.529 -23.252  -3.358
   93    HD1  PHE  10           HD1      PHE  10   2.773 -23.621  -3.242
   94    HD2  PHE  10           HD2      PHE  10   5.189 -23.203  -6.722
   95    HE1  PHE  10           HE1      PHE  10   1.095 -24.855  -4.552
   96    HE2  PHE  10           HE2      PHE  10   3.514 -24.435  -8.037
   97    HZ   PHE  10           HZ       PHE  10   1.463 -25.262  -6.952
   98    H    ARG  11           H        ARG  11   3.577 -21.084  -1.055
   99    HA   ARG  11           HA       ARG  11   6.171 -21.117   0.299
  100    HB2  ARG  11           2HB      ARG  11   5.627 -19.148   1.624
  101    HB3  ARG  11           3HB      ARG  11   5.632 -18.748  -0.089
  102    HG2  ARG  11           2HG      ARG  11   3.072 -19.472   1.266
  103    HG3  ARG  11           3HG      ARG  11   3.745 -17.850   1.442
  104    HD2  ARG  11           2HD      ARG  11   3.910 -17.864  -1.121
  105    HD3  ARG  11           3HD      ARG  11   2.815 -19.244  -1.047
  106    HE   ARG  11           HE       ARG  11   1.910 -16.934   0.418
  107   HH11  ARG  11          1HH1      ARG  11   1.948 -18.564  -2.658
  108   HH12  ARG  11          2HH1      ARG  11   0.507 -17.791  -3.232
  109   HH21  ARG  11          1HH2      ARG  11   0.013 -15.910  -0.326
  110   HH22  ARG  11          2HH2      ARG  11  -0.592 -16.282  -1.905
  111    H    LYS  12           H        LYS  12   6.117 -21.882   2.401
  112    HA   LYS  12           HA       LYS  12   4.013 -23.652   3.052
  113    HB2  LYS  12           2HB      LYS  12   6.431 -22.655   4.530
  114    HB3  LYS  12           3HB      LYS  12   5.251 -23.681   5.333
  115    HG2  LYS  12           2HG      LYS  12   5.613 -25.425   3.679
  116    HG3  LYS  12           3HG      LYS  12   6.763 -24.392   2.827
  117    HD2  LYS  12           2HD      LYS  12   7.089 -25.251   5.698
  118    HD3  LYS  12           3HD      LYS  12   7.800 -26.110   4.330
  119    HE2  LYS  12           2HE      LYS  12   8.911 -23.948   3.688
  120    HE3  LYS  12           3HE      LYS  12   8.355 -23.288   5.226
  121    HZ1  LYS  12           3HZ      LYS  12   9.713 -25.807   5.488
  122    HZ2  LYS  12           1HZ      LYS  12   9.945 -24.360   6.333
  123    HZ3  LYS  12           2HZ      LYS  12  10.692 -24.592   4.834
  124    H    PHE  13           H        PHE  13   5.174 -21.048   5.177
  125    HA   PHE  13           HA       PHE  13   2.496 -20.752   6.257
  126    HB2  PHE  13           2HB      PHE  13   5.229 -19.891   7.064
  127    HB3  PHE  13           3HB      PHE  13   3.874 -18.917   7.623
  128    HD1  PHE  13           HD1      PHE  13   4.679 -22.551   7.305
  129    HD2  PHE  13           HD2      PHE  13   3.129 -19.412   9.726
  130    HE1  PHE  13           HE1      PHE  13   4.286 -24.156   9.128
  131    HE2  PHE  13           HE2      PHE  13   2.735 -21.012  11.553
  132    HZ   PHE  13           HZ       PHE  13   3.314 -23.387  11.256
  133    H    LYS  14           H        LYS  14   1.994 -18.303   6.845
  134    HA   LYS  14           HA       LYS  14   2.426 -16.661   4.443
  135    HB2  LYS  14           2HB      LYS  14  -0.170 -17.323   5.809
  136    HB3  LYS  14           3HB      LYS  14   0.008 -15.853   4.861
  137    HG2  LYS  14           2HG      LYS  14   0.765 -18.466   3.646
  138    HG3  LYS  14           3HG      LYS  14  -0.940 -18.029   3.779
  139    HD2  LYS  14           2HD      LYS  14   1.041 -16.109   2.612
  140    HD3  LYS  14           3HD      LYS  14   0.357 -17.403   1.626
  141    HE2  LYS  14           2HE      LYS  14  -1.189 -15.792   1.202
  142    HE3  LYS  14           3HE      LYS  14  -1.903 -16.467   2.666
  143    HZ1  LYS  14           3HZ      LYS  14  -1.395 -14.639   3.866
  144    HZ2  LYS  14           1HZ      LYS  14  -1.447 -13.886   2.353
  145    HZ3  LYS  14           2HZ      LYS  14   0.040 -14.327   3.027
  146    H    LEU  15           H        LEU  15   2.694 -14.492   4.780
  147    HA   LEU  15           HA       LEU  15   3.348 -12.629   5.916
  148    HB2  LEU  15           2HB      LEU  15   0.905 -13.548   7.371
  149    HB3  LEU  15           3HB      LEU  15   1.808 -12.156   7.966
  150    HG   LEU  15           HG       LEU  15  -0.096 -11.467   6.613
  151   HD11  LEU  15          1HD1      LEU  15   2.651 -10.767   6.099
  152   HD12  LEU  15          2HD1      LEU  15   1.223  -9.736   6.180
  153   HD13  LEU  15          3HD1      LEU  15   1.655 -10.526   4.664
  154   HD21  LEU  15          3HD2      LEU  15  -0.351 -12.031   4.330
  155   HD22  LEU  15          1HD2      LEU  15  -0.065 -13.548   5.183
  156   HD23  LEU  15          2HD2      LEU  15   1.239 -12.793   4.265
  157    H    TYR  16           H        TYR  16   4.722 -15.061   6.592
  158    HA   TYR  16           HA       TYR  16   5.077 -15.483   9.319
  159    HB2  TYR  16           2HB      TYR  16   7.445 -16.209   8.583
  160    HB3  TYR  16           3HB      TYR  16   6.065 -17.080   7.924
  161    HD1  TYR  16           HD2      TYR  16   7.915 -13.946   7.041
  162    HD2  TYR  16           HD1      TYR  16   6.331 -17.667   5.718
  163    HE1  TYR  16           HE2      TYR  16   8.707 -13.466   4.762
  164    HE2  TYR  16           HE1      TYR  16   7.119 -17.198   3.436
  165    HH   TYR  16           HH       TYR  16   8.760 -15.841   2.297
  166    H    HIS  17           H        HIS  17   7.491 -15.079  10.226
  167    HA   HIS  17           HA       HIS  17   7.649 -12.191  10.511
  168    HB2  HIS  17           2HB      HIS  17   7.699 -13.614  12.521
  169    HB3  HIS  17           3HB      HIS  17   9.172 -14.383  11.937
  170    HD1  HIS  17           HD1      HIS  17   7.957 -10.934  12.966
  171    HD2  HIS  17           HD2      HIS  17  11.456 -13.164  12.757
  172    HE1  HIS  17           HE1      HIS  17   9.727  -9.511  14.045
  173    H    GLU  18           H        GLU  18   8.393 -12.121   8.178
  174    HA   GLU  18           HA       GLU  18  11.282 -11.877   8.172
  175    HB2  GLU  18           2HB      GLU  18  10.137 -14.187   7.124
  176    HB3  GLU  18           3HB      GLU  18  10.436 -13.180   5.714
  177    HG2  GLU  18           2HG      GLU  18  12.758 -13.031   6.216
  178    HG3  GLU  18           3HG      GLU  18  12.524 -13.800   7.785
  179    H    GLY  19           H        GLY  19  10.993  -9.671   7.931
  180    HA2  GLY  19           2HA      GLY  19  10.816  -7.721   6.728
  181    HA3  GLY  19           3HA      GLY  19  10.719  -8.714   5.281
  182    H    LYS  20           H        LYS  20   9.101  -6.505   7.129
  183    HA   LYS  20           HA       LYS  20   6.425  -7.489   6.826
  184    HB2  LYS  20           2HB      LYS  20   7.698  -4.993   7.826
  185    HB3  LYS  20           3HB      LYS  20   6.023  -4.887   7.300
  186    HG2  LYS  20           2HG      LYS  20   5.549  -6.832   8.840
  187    HG3  LYS  20           3HG      LYS  20   7.171  -6.588   9.493
  188    HD2  LYS  20           2HD      LYS  20   5.201  -4.330   9.326
  189    HD3  LYS  20           3HD      LYS  20   5.190  -5.456  10.686
  190    HE2  LYS  20           2HE      LYS  20   7.738  -4.910  10.790
  191    HE3  LYS  20           3HE      LYS  20   7.277  -3.476   9.874
  192    HZ1  LYS  20           3HZ      LYS  20   5.470  -3.702  11.964
  193    HZ2  LYS  20           1HZ      LYS  20   6.693  -2.547  11.781
  194    HZ3  LYS  20           2HZ      LYS  20   6.998  -3.972  12.638
  195    H    PHE  21           H        PHE  21   6.120  -7.920   4.643
  196    HA   PHE  21           HA       PHE  21   5.088  -5.855   3.069
  197    HB2  PHE  21           2HB      PHE  21   7.796  -5.686   3.002
  198    HB3  PHE  21           3HB      PHE  21   7.509  -6.771   1.646
  199    HD1  PHE  21           HD2      PHE  21   5.064  -5.793   0.473
  200    HD2  PHE  21           HD1      PHE  21   8.313  -3.615   2.150
  201    HE1  PHE  21           HE2      PHE  21   4.501  -3.865  -0.948
  202    HE2  PHE  21           HE1      PHE  21   7.755  -1.683   0.732
  203    HZ   PHE  21           HZ       PHE  21   5.847  -1.807  -0.821
  204    H    TRP  22           H        TRP  22   3.471  -7.054   2.303
  205    HA   TRP  22           HA       TRP  22   4.153  -9.466   0.770
  206    HB2  TRP  22           2HB      TRP  22   2.200  -9.200   3.015
  207    HB3  TRP  22           3HB      TRP  22   1.806 -10.281   1.681
  208    HD1  TRP  22           HD1      TRP  22   4.604  -9.768   4.308
  209    HE1  TRP  22           HE1      TRP  22   5.654 -12.064   4.809
  210    HE3  TRP  22           HE3      TRP  22   2.047 -12.591   0.899
  211    HZ2  TRP  22           HZ2      TRP  22   5.429 -14.720   3.881
  212    HZ3  TRP  22           HZ3      TRP  22   2.523 -15.002   0.769
  213    HH2  TRP  22           HH2      TRP  22   4.180 -16.042   2.229
  214    H    CYS  23           H        CYS  23   3.973  -7.970  -1.031
  215    HA   CYS  23           HA       CYS  23   1.501  -8.135  -2.341
  216    HB2  CYS  23           2HB      CYS  23   1.202  -6.242  -0.522
  217    HB3  CYS  23           3HB      CYS  23   2.054  -5.266  -1.714
  218    HA   PRO  24           HA       PRO  24   4.975  -7.510  -5.186
  219    HB2  PRO  24           2HB      PRO  24   3.842  -8.924  -7.208
  220    HB3  PRO  24           3HB      PRO  24   4.701  -9.688  -5.865
  221    HG2  PRO  24           2HG      PRO  24   1.757  -9.328  -6.271
  222    HG3  PRO  24           3HG      PRO  24   2.640 -10.750  -5.684
  223    HD2  PRO  24           2HD      PRO  24   1.357  -9.043  -4.019
  224    HD3  PRO  24           3HD      PRO  24   2.838  -9.903  -3.550
  Start of MODEL    4
    1    H1   THR   1           H        THR   1   3.562   0.005   0.104
    2    HA   THR   1           HA       THR   1   1.441   0.333  -1.790
    3    HB   THR   1           HB       THR   1   2.811   1.381  -3.572
    4    HG1  THR   1           HG1      THR   1   4.796   2.221  -3.098
    5   HG21  THR   1          3HG2      THR   1   1.729   2.675  -1.232
    6   HG22  THR   1          1HG2      THR   1   1.673   3.185  -2.919
    7   HG23  THR   1          2HG2      THR   1   3.053   3.620  -1.912
    8    H    CYS   2           H        CYS   2   1.374  -1.384  -3.113
    9    HA   CYS   2           HA       CYS   2   3.285  -3.477  -2.806
   10    HB2  CYS   2           2HB      CYS   2   1.138  -3.299  -4.921
   11    HB3  CYS   2           3HB      CYS   2   1.885  -4.753  -4.268
   12    H    HIS   3           H        HIS   3   5.280  -2.772  -3.525
   13    HA   HIS   3           HA       HIS   3   5.538  -2.581  -6.441
   14    HB2  HIS   3           2HB      HIS   3   5.668  -0.317  -5.094
   15    HB3  HIS   3           3HB      HIS   3   7.300  -0.871  -4.733
   16    HD1  HIS   3           HD1      HIS   3   5.802   1.337  -6.915
   17    HD2  HIS   3           HD2      HIS   3   8.427  -1.827  -7.516
   18    HE1  HIS   3           HE1      HIS   3   6.895   1.782  -9.136
   19    H    ILE   4           H        ILE   4   6.314  -4.690  -6.511
   20    HA   ILE   4           HA       ILE   4   9.087  -5.022  -6.212
   21    HB   ILE   4           HB       ILE   4   8.593  -5.145  -3.819
   22   HG12  ILE   4          2HG1      ILE   4   9.649  -7.329  -3.366
   23   HG13  ILE   4          3HG1      ILE   4   9.310  -7.830  -5.019
   24   HG21  ILE   4          1HG2      ILE   4   6.978  -6.421  -2.876
   25   HG22  ILE   4          2HG2      ILE   4   6.243  -6.238  -4.468
   26   HG23  ILE   4          3HG2      ILE   4   7.138  -7.706  -4.074
   27   HD11  ILE   4          3HD1      ILE   4  10.836  -5.327  -4.683
   28   HD12  ILE   4          1HD1      ILE   4  11.653  -6.829  -4.250
   29   HD13  ILE   4          2HD1      ILE   4  11.005  -6.614  -5.876
   30    H    ARG   5           H        ARG   5   9.699  -6.544  -7.611
   31    HA   ARG   5           HA       ARG   5   7.830  -7.987  -9.141
   32    HB2  ARG   5           2HB      ARG   5   9.818  -9.149 -10.076
   33    HB3  ARG   5           3HB      ARG   5   9.974  -7.397 -10.073
   34    HG2  ARG   5           2HG      ARG   5  11.169  -7.840  -7.771
   35    HG3  ARG   5           3HG      ARG   5  11.429  -9.437  -8.477
   36    HD2  ARG   5           2HD      ARG   5  12.203  -8.012 -10.556
   37    HD3  ARG   5           3HD      ARG   5  12.482  -6.783  -9.323
   38    HE   ARG   5           HE       ARG   5  13.631  -9.306  -8.629
   39   HH11  ARG   5          1HH1      ARG   5  14.106  -6.412 -10.505
   40   HH12  ARG   5          2HH1      ARG   5  15.834  -6.539 -10.505
   41   HH21  ARG   5          1HH2      ARG   5  15.905  -9.485  -8.622
   42   HH22  ARG   5          2HH2      ARG   5  16.856  -8.288  -9.435
   43    H    ARG   6           H        ARG   6   9.949  -8.962  -6.476
   44    HA   ARG   6           HA       ARG   6   9.452 -11.705  -6.527
   45    HB2  ARG   6           2HB      ARG   6  10.349  -9.765  -4.453
   46    HB3  ARG   6           3HB      ARG   6   9.836 -11.358  -3.913
   47    HG2  ARG   6           2HG      ARG   6  11.886 -10.972  -6.072
   48    HG3  ARG   6           3HG      ARG   6  12.303 -11.049  -4.359
   49    HD2  ARG   6           2HD      ARG   6  10.621 -13.193  -5.586
   50    HD3  ARG   6           3HD      ARG   6  12.369 -13.208  -5.816
   51    HE   ARG   6           HE       ARG   6  10.942 -13.864  -3.426
   52   HH11  ARG   6          1HH1      ARG   6  13.939 -12.609  -4.674
   53   HH12  ARG   6          2HH1      ARG   6  14.866 -13.085  -3.290
   54   HH21  ARG   6          1HH2      ARG   6  12.151 -14.496  -1.598
   55   HH22  ARG   6          2HH2      ARG   6  13.848 -14.159  -1.541
   56    H    LYS   7           H        LYS   7   7.417 -12.452  -6.705
   57    HA   LYS   7           HA       LYS   7   5.363 -11.403  -4.888
   58    HB2  LYS   7           2HB      LYS   7   3.744 -12.498  -6.372
   59    HB3  LYS   7           3HB      LYS   7   4.779 -11.387  -7.260
   60    HG2  LYS   7           2HG      LYS   7   4.780 -13.174  -8.675
   61    HG3  LYS   7           3HG      LYS   7   6.197 -13.552  -7.692
   62    HD2  LYS   7           2HD      LYS   7   5.172 -15.297  -6.645
   63    HD3  LYS   7           3HD      LYS   7   3.572 -14.557  -6.742
   64    HE2  LYS   7           2HE      LYS   7   4.970 -15.521  -9.210
   65    HE3  LYS   7           3HE      LYS   7   4.085 -16.646  -8.181
   66    HZ1  LYS   7           3HZ      LYS   7   2.630 -14.244  -8.844
   67    HZ2  LYS   7           1HZ      LYS   7   2.128 -15.860  -8.879
   68    HZ3  LYS   7           2HZ      LYS   7   2.996 -15.216 -10.180
   69    HA   PRO   8           HA       PRO   8   5.311 -15.027  -2.410
   70    HB2  PRO   8           2HB      PRO   8   2.680 -15.178  -1.759
   71    HB3  PRO   8           3HB      PRO   8   3.767 -13.956  -1.088
   72    HG2  PRO   8           2HG      PRO   8   1.809 -13.718  -3.340
   73    HG3  PRO   8           3HG      PRO   8   2.138 -12.582  -2.020
   74    HD2  PRO   8           2HD      PRO   8   3.147 -12.252  -4.511
   75    HD3  PRO   8           3HD      PRO   8   4.014 -11.729  -3.052
   76    H    LYS   9           H        LYS   9   5.342 -17.138  -2.858
   77    HA   LYS   9           HA       LYS   9   3.228 -18.568  -4.049
   78    HB2  LYS   9           2HB      LYS   9   4.227 -17.251  -6.025
   79    HB3  LYS   9           3HB      LYS   9   5.600 -18.341  -5.888
   80    HG2  LYS   9           2HG      LYS   9   2.940 -19.609  -6.010
   81    HG3  LYS   9           3HG      LYS   9   3.495 -18.800  -7.477
   82    HD2  LYS   9           2HD      LYS   9   5.728 -20.157  -6.787
   83    HD3  LYS   9           3HD      LYS   9   4.486 -21.247  -6.165
   84    HE2  LYS   9           2HE      LYS   9   4.908 -21.943  -8.380
   85    HE3  LYS   9           3HE      LYS   9   3.380 -21.064  -8.433
   86    HZ1  LYS   9           3HZ      LYS   9   4.295 -19.354  -9.592
   87    HZ2  LYS   9           1HZ      LYS   9   5.290 -20.602 -10.154
   88    HZ3  LYS   9           2HZ      LYS   9   5.841 -19.564  -8.937
   89    H    PHE  10           H        PHE  10   3.614 -20.818  -4.118
   90    HA   PHE  10           HA       PHE  10   4.452 -22.746  -3.238
   91    HB2  PHE  10           2HB      PHE  10   6.095 -22.085  -5.147
   92    HB3  PHE  10           3HB      PHE  10   7.210 -21.720  -3.834
   93    HD1  PHE  10           HD1      PHE  10   4.925 -24.453  -4.942
   94    HD2  PHE  10           HD2      PHE  10   8.627 -23.382  -3.135
   95    HE1  PHE  10           HE1      PHE  10   5.548 -26.830  -4.820
   96    HE2  PHE  10           HE2      PHE  10   9.257 -25.757  -3.011
   97    HZ   PHE  10           HZ       PHE  10   7.718 -27.485  -3.855
   98    H    ARG  11           H        ARG  11   3.920 -20.868  -1.297
   99    HA   ARG  11           HA       ARG  11   6.149 -21.231   0.597
  100    HB2  ARG  11           2HB      ARG  11   5.389 -19.225   1.751
  101    HB3  ARG  11           3HB      ARG  11   5.721 -18.869   0.061
  102    HG2  ARG  11           2HG      ARG  11   2.940 -19.598   0.727
  103    HG3  ARG  11           3HG      ARG  11   3.521 -18.047   1.334
  104    HD2  ARG  11           2HD      ARG  11   4.157 -17.381  -0.914
  105    HD3  ARG  11           3HD      ARG  11   3.661 -18.954  -1.539
  106    HE   ARG  11           HE       ARG  11   1.953 -16.738  -0.847
  107   HH11  ARG  11          1HH1      ARG  11   2.154 -20.174  -1.368
  108   HH12  ARG  11          2HH1      ARG  11   0.468 -20.351  -1.723
  109   HH21  ARG  11          1HH2      ARG  11  -0.269 -16.958  -1.313
  110   HH22  ARG  11          2HH2      ARG  11  -0.910 -18.521  -1.693
  111    H    LYS  12           H        LYS  12   5.674 -21.875   2.705
  112    HA   LYS  12           HA       LYS  12   3.254 -23.442   2.957
  113    HB2  LYS  12           2HB      LYS  12   5.795 -23.178   4.511
  114    HB3  LYS  12           3HB      LYS  12   4.386 -23.877   5.298
  115    HG2  LYS  12           2HG      LYS  12   5.303 -24.906   2.645
  116    HG3  LYS  12           3HG      LYS  12   6.087 -25.430   4.137
  117    HD2  LYS  12           2HD      LYS  12   3.113 -25.514   3.980
  118    HD3  LYS  12           3HD      LYS  12   4.039 -26.751   3.127
  119    HE2  LYS  12           2HE      LYS  12   3.808 -27.779   5.150
  120    HE3  LYS  12           3HE      LYS  12   5.304 -26.893   5.443
  121    HZ1  LYS  12           3HZ      LYS  12   2.855 -25.461   6.052
  122    HZ2  LYS  12           1HZ      LYS  12   4.312 -25.531   6.909
  123    HZ3  LYS  12           2HZ      LYS  12   3.187 -26.786   7.050
  124    H    PHE  13           H        PHE  13   4.851 -21.233   5.255
  125    HA   PHE  13           HA       PHE  13   2.287 -20.595   6.442
  126    HB2  PHE  13           2HB      PHE  13   5.145 -19.990   7.120
  127    HB3  PHE  13           3HB      PHE  13   3.851 -19.061   7.871
  128    HD1  PHE  13           HD1      PHE  13   2.307 -20.105   9.423
  129    HD2  PHE  13           HD2      PHE  13   5.490 -22.311   7.655
  130    HE1  PHE  13           HE1      PHE  13   2.002 -21.883  11.098
  131    HE2  PHE  13           HE2      PHE  13   5.188 -24.091   9.326
  132    HZ   PHE  13           HZ       PHE  13   3.442 -23.879  11.049
  133    H    LYS  14           H        LYS  14   1.209 -18.689   6.304
  134    HA   LYS  14           HA       LYS  14   2.109 -16.835   4.231
  135    HB2  LYS  14           2HB      LYS  14  -0.528 -17.457   5.501
  136    HB3  LYS  14           3HB      LYS  14  -0.294 -15.889   4.739
  137    HG2  LYS  14           2HG      LYS  14   0.420 -18.345   3.217
  138    HG3  LYS  14           3HG      LYS  14  -1.281 -17.908   3.399
  139    HD2  LYS  14           2HD      LYS  14  -0.231 -15.520   2.691
  140    HD3  LYS  14           3HD      LYS  14   0.857 -16.615   1.833
  141    HE2  LYS  14           2HE      LYS  14  -0.931 -16.092   0.353
  142    HE3  LYS  14           3HE      LYS  14  -1.175 -17.750   0.901
  143    HZ1  LYS  14           3HZ      LYS  14  -3.158 -17.188   1.670
  144    HZ2  LYS  14           1HZ      LYS  14  -2.953 -15.617   1.075
  145    HZ3  LYS  14           2HZ      LYS  14  -2.489 -15.989   2.658
  146    H    LEU  15           H        LEU  15   2.542 -14.704   4.584
  147    HA   LEU  15           HA       LEU  15   3.294 -12.889   5.738
  148    HB2  LEU  15           2HB      LEU  15   0.743 -13.625   7.105
  149    HB3  LEU  15           3HB      LEU  15   1.728 -12.314   7.750
  150    HG   LEU  15           HG       LEU  15  -0.090 -11.498   6.321
  151   HD11  LEU  15          1HD1      LEU  15   2.745 -10.976   5.891
  152   HD12  LEU  15          2HD1      LEU  15   1.406  -9.853   6.127
  153   HD13  LEU  15          3HD1      LEU  15   1.730 -10.513   4.524
  154   HD21  LEU  15          3HD2      LEU  15  -0.044 -13.549   4.828
  155   HD22  LEU  15          1HD2      LEU  15   1.320 -12.793   4.004
  156   HD23  LEU  15          2HD2      LEU  15  -0.251 -11.993   4.023
  157    H    TYR  16           H        TYR  16   4.505 -15.377   6.441
  158    HA   TYR  16           HA       TYR  16   4.736 -15.848   9.175
  159    HB2  TYR  16           2HB      TYR  16   7.084 -16.699   8.513
  160    HB3  TYR  16           3HB      TYR  16   5.682 -17.484   7.795
  161    HD1  TYR  16           HD2      TYR  16   7.734 -14.449   7.018
  162    HD2  TYR  16           HD1      TYR  16   5.998 -18.062   5.593
  163    HE1  TYR  16           HE2      TYR  16   8.634 -13.990   4.776
  164    HE2  TYR  16           HE1      TYR  16   6.894 -17.614   3.347
  165    HH   TYR  16           HH       TYR  16   8.040 -14.649   2.383
  166    H    HIS  17           H        HIS  17   7.153 -15.592  10.152
  167    HA   HIS  17           HA       HIS  17   7.456 -12.718  10.482
  168    HB2  HIS  17           2HB      HIS  17   7.358 -14.163  12.475
  169    HB3  HIS  17           3HB      HIS  17   8.806 -15.005  11.933
  170    HD1  HIS  17           HD1      HIS  17  10.954 -14.111  12.789
  171    HD2  HIS  17           HD2      HIS  17   7.900 -11.304  13.014
  172    HE1  HIS  17           HE1      HIS  17  11.945 -12.135  13.986
  173    H    GLU  18           H        GLU  18   8.279 -12.674   8.174
  174    HA   GLU  18           HA       GLU  18  11.176 -12.586   8.267
  175    HB2  GLU  18           2HB      GLU  18   9.943 -14.825   7.160
  176    HB3  GLU  18           3HB      GLU  18  10.353 -13.827   5.772
  177    HG2  GLU  18           2HG      GLU  18  12.682 -13.701   6.630
  178    HG3  GLU  18           3HG      GLU  18  12.229 -14.850   7.888
  179    H    GLY  19           H        GLY  19  11.028 -10.369   8.024
  180    HA2  GLY  19           2HA      GLY  19  11.008  -8.411   6.821
  181    HA3  GLY  19           3HA      GLY  19  10.874  -9.392   5.369
  182    H    LYS  20           H        LYS  20   9.386  -7.050   7.122
  183    HA   LYS  20           HA       LYS  20   6.650  -7.868   6.801
  184    HB2  LYS  20           2HB      LYS  20   8.074  -5.470   7.823
  185    HB3  LYS  20           3HB      LYS  20   6.433  -5.228   7.237
  186    HG2  LYS  20           2HG      LYS  20   6.028  -5.665   9.438
  187    HG3  LYS  20           3HG      LYS  20   5.919  -7.295   8.770
  188    HD2  LYS  20           2HD      LYS  20   8.130  -7.821   9.496
  189    HD3  LYS  20           3HD      LYS  20   8.448  -6.140   9.934
  190    HE2  LYS  20           2HE      LYS  20   8.012  -7.215  11.971
  191    HE3  LYS  20           3HE      LYS  20   6.509  -6.382  11.575
  192    HZ1  LYS  20           3HZ      LYS  20   6.066  -8.617  12.331
  193    HZ2  LYS  20           1HZ      LYS  20   7.074  -9.265  11.136
  194    HZ3  LYS  20           2HZ      LYS  20   5.643  -8.476  10.700
  195    H    PHE  21           H        PHE  21   6.349  -8.295   4.617
  196    HA   PHE  21           HA       PHE  21   5.501  -6.169   3.009
  197    HB2  PHE  21           2HB      PHE  21   8.202  -6.191   2.978
  198    HB3  PHE  21           3HB      PHE  21   7.876  -7.311   1.659
  199    HD1  PHE  21           HD2      PHE  21   5.860  -6.400   0.075
  200    HD2  PHE  21           HD1      PHE  21   8.547  -4.021   2.364
  201    HE1  PHE  21           HE2      PHE  21   5.462  -4.501  -1.438
  202    HE2  PHE  21           HE1      PHE  21   8.152  -2.118   0.854
  203    HZ   PHE  21           HZ       PHE  21   6.609  -2.357  -1.050
  204    H    TRP  22           H        TRP  22   3.796  -7.248   2.252
  205    HA   TRP  22           HA       TRP  22   4.295  -9.696   0.712
  206    HB2  TRP  22           2HB      TRP  22   2.406  -9.337   2.999
  207    HB3  TRP  22           3HB      TRP  22   1.927 -10.384   1.666
  208    HD1  TRP  22           HD1      TRP  22   4.797 -10.048   4.243
  209    HE1  TRP  22           HE1      TRP  22   5.727 -12.402   4.708
  210    HE3  TRP  22           HE3      TRP  22   2.025 -12.698   0.862
  211    HZ2  TRP  22           HZ2      TRP  22   5.338 -15.035   3.766
  212    HZ3  TRP  22           HZ3      TRP  22   2.365 -15.130   0.707
  213    HH2  TRP  22           HH2      TRP  22   3.988 -16.272   2.129
  214    H    CYS  23           H        CYS  23   4.164  -8.177  -1.073
  215    HA   CYS  23           HA       CYS  23   1.666  -8.186  -2.336
  216    HB2  CYS  23           2HB      CYS  23   1.554  -6.281  -0.471
  217    HB3  CYS  23           3HB      CYS  23   2.349  -5.350  -1.736
  218    HA   PRO  24           HA       PRO  24   5.110  -7.696  -5.239
  219    HB2  PRO  24           2HB      PRO  24   3.861  -9.005  -7.264
  220    HB3  PRO  24           3HB      PRO  24   4.701  -9.842  -5.952
  221    HG2  PRO  24           2HG      PRO  24   1.774  -9.310  -6.293
  222    HG3  PRO  24           3HG      PRO  24   2.587 -10.790  -5.750
  223    HD2  PRO  24           2HD      PRO  24   1.435  -9.046  -4.029
  224    HD3  PRO  24           3HD      PRO  24   2.873  -9.997  -3.605
  Start of MODEL    5
    1    H1   THR   1           H        THR   1   1.778   2.283  -1.417
    2    HA   THR   1           HA       THR   1   0.142   0.359  -2.737
    3    HB   THR   1           HB       THR   1  -0.116   2.093  -4.411
    4    HG1  THR   1           HG1      THR   1   0.185   0.640  -5.920
    5   HG21  THR   1          3HG2      THR   1   1.990   3.322  -3.773
    6   HG22  THR   1          1HG2      THR   1   1.707   3.170  -5.507
    7   HG23  THR   1          2HG2      THR   1   2.884   2.125  -4.711
    8    H    CYS   2           H        CYS   2   1.228  -1.493  -2.682
    9    HA   CYS   2           HA       CYS   2   3.914  -1.644  -1.826
   10    HB2  CYS   2           2HB      CYS   2   3.693  -4.077  -2.328
   11    HB3  CYS   2           3HB      CYS   2   2.384  -3.446  -1.334
   12    H    HIS   3           H        HIS   3   5.737  -2.537  -2.952
   13    HA   HIS   3           HA       HIS   3   5.643  -2.578  -5.856
   14    HB2  HIS   3           2HB      HIS   3   6.122  -0.186  -5.029
   15    HB3  HIS   3           3HB      HIS   3   7.689  -0.814  -4.526
   16    HD1  HIS   3           HD1      HIS   3   8.905  -2.206  -6.677
   17    HD2  HIS   3           HD2      HIS   3   6.242   0.875  -7.500
   18    HE1  HIS   3           HE1      HIS   3   9.419  -1.483  -9.031
   19    H    ILE   4           H        ILE   4   6.421  -4.579  -6.136
   20    HA   ILE   4           HA       ILE   4   9.143  -5.151  -5.755
   21    HB   ILE   4           HB       ILE   4   8.575  -5.353  -3.394
   22   HG12  ILE   4          2HG1      ILE   4   9.022  -8.062  -4.668
   23   HG13  ILE   4          3HG1      ILE   4  10.275  -6.862  -4.370
   24   HG21  ILE   4          1HG2      ILE   4   6.155  -6.284  -4.261
   25   HG22  ILE   4          2HG2      ILE   4   6.926  -7.750  -3.658
   26   HG23  ILE   4          3HG2      ILE   4   6.738  -6.353  -2.598
   27   HD11  ILE   4          3HD1      ILE   4   9.278  -7.090  -1.897
   28   HD12  ILE   4          1HD1      ILE   4   8.932  -8.706  -2.511
   29   HD13  ILE   4          2HD1      ILE   4  10.587  -8.096  -2.517
   30    H    ARG   5           H        ARG   5   9.684  -6.647  -7.209
   31    HA   ARG   5           HA       ARG   5   7.709  -7.907  -8.809
   32    HB2  ARG   5           2HB      ARG   5   9.632  -9.030  -9.898
   33    HB3  ARG   5           3HB      ARG   5   9.842  -7.289  -9.767
   34    HG2  ARG   5           2HG      ARG   5  11.258  -7.656  -7.769
   35    HG3  ARG   5           3HG      ARG   5  11.120  -9.395  -8.038
   36    HD2  ARG   5           2HD      ARG   5  12.302  -9.280 -10.070
   37    HD3  ARG   5           3HD      ARG   5  12.124  -7.528 -10.165
   38    HE   ARG   5           HE       ARG   5  13.554  -8.054  -7.855
   39   HH11  ARG   5          1HH1      ARG   5  13.936  -8.541 -11.281
   40   HH12  ARG   5          2HH1      ARG   5  15.665  -8.445 -11.234
   41   HH21  ARG   5          1HH2      ARG   5  15.830  -7.926  -7.780
   42   HH22  ARG   5          2HH2      ARG   5  16.742  -8.096  -9.242
   43    H    ARG   6           H        ARG   6   9.878  -9.065  -6.265
   44    HA   ARG   6           HA       ARG   6   9.380 -11.793  -6.460
   45    HB2  ARG   6           2HB      ARG   6  11.135 -10.857  -5.036
   46    HB3  ARG   6           3HB      ARG   6   9.919 -10.154  -3.978
   47    HG2  ARG   6           2HG      ARG   6  10.605 -12.068  -2.855
   48    HG3  ARG   6           3HG      ARG   6   9.100 -12.555  -3.637
   49    HD2  ARG   6           2HD      ARG   6  10.574 -14.325  -4.050
   50    HD3  ARG   6           3HD      ARG   6  10.571 -13.395  -5.548
   51    HE   ARG   6           HE       ARG   6  12.662 -12.648  -3.721
   52   HH11  ARG   6          1HH1      ARG   6  11.732 -14.811  -6.286
   53   HH12  ARG   6          2HH1      ARG   6  13.361 -15.134  -6.780
   54   HH21  ARG   6          1HH2      ARG   6  14.811 -13.066  -4.363
   55   HH22  ARG   6          2HH2      ARG   6  15.111 -14.142  -5.685
   56    H    LYS   7           H        LYS   7   7.353 -12.545  -6.683
   57    HA   LYS   7           HA       LYS   7   5.295 -11.623  -4.800
   58    HB2  LYS   7           2HB      LYS   7   3.674 -12.600  -6.362
   59    HB3  LYS   7           3HB      LYS   7   4.707 -11.424  -7.163
   60    HG2  LYS   7           2HG      LYS   7   4.708 -13.095  -8.712
   61    HG3  LYS   7           3HG      LYS   7   6.123 -13.552  -7.761
   62    HD2  LYS   7           2HD      LYS   7   5.117 -15.392  -6.903
   63    HD3  LYS   7           3HD      LYS   7   3.528 -14.626  -6.844
   64    HE2  LYS   7           2HE      LYS   7   3.813 -14.776  -9.490
   65    HE3  LYS   7           3HE      LYS   7   4.840 -16.134  -9.034
   66    HZ1  LYS   7           3HZ      LYS   7   2.384 -16.165  -7.599
   67    HZ2  LYS   7           1HZ      LYS   7   3.066 -17.362  -8.581
   68    HZ3  LYS   7           2HZ      LYS   7   2.105 -16.151  -9.267
   69    HA   PRO   8           HA       PRO   8   5.244 -15.428  -2.610
   70    HB2  PRO   8           2HB      PRO   8   2.613 -15.628  -1.969
   71    HB3  PRO   8           3HB      PRO   8   3.701 -14.461  -1.208
   72    HG2  PRO   8           2HG      PRO   8   1.741 -14.051  -3.433
   73    HG3  PRO   8           3HG      PRO   8   2.072 -13.020  -2.029
   74    HD2  PRO   8           2HD      PRO   8   3.078 -12.498  -4.488
   75    HD3  PRO   8           3HD      PRO   8   3.947 -12.090  -2.994
   76    H    LYS   9           H        LYS   9   5.276 -17.497  -3.221
   77    HA   LYS   9           HA       LYS   9   3.137 -18.738  -4.647
   78    HB2  LYS   9           2HB      LYS   9   4.471 -19.365  -6.650
   79    HB3  LYS   9           3HB      LYS   9   4.119 -17.645  -6.558
   80    HG2  LYS   9           2HG      LYS   9   6.298 -17.431  -7.035
   81    HG3  LYS   9           3HG      LYS   9   6.510 -17.722  -5.307
   82    HD2  LYS   9           2HD      LYS   9   7.990 -19.233  -6.255
   83    HD3  LYS   9           3HD      LYS   9   6.553 -20.225  -5.989
   84    HE2  LYS   9           2HE      LYS   9   6.075 -20.370  -8.220
   85    HE3  LYS   9           3HE      LYS   9   6.812 -18.812  -8.591
   86    HZ1  LYS   9           3HZ      LYS   9   8.692 -20.774  -7.654
   87    HZ2  LYS   9           1HZ      LYS   9   8.767 -19.765  -9.010
   88    HZ3  LYS   9           2HZ      LYS   9   7.921 -21.227  -9.091
   89    H    PHE  10           H        PHE  10   3.121 -20.877  -4.250
   90    HA   PHE  10           HA       PHE  10   3.683 -22.847  -3.253
   91    HB2  PHE  10           2HB      PHE  10   6.132 -22.102  -4.813
   92    HB3  PHE  10           3HB      PHE  10   6.153 -23.539  -3.796
   93    HD1  PHE  10           HD1      PHE  10   3.666 -22.005  -6.122
   94    HD2  PHE  10           HD2      PHE  10   5.895 -25.458  -5.014
   95    HE1  PHE  10           HE1      PHE  10   2.572 -23.283  -7.917
   96    HE2  PHE  10           HE2      PHE  10   4.805 -26.741  -6.808
   97    HZ   PHE  10           HZ       PHE  10   3.141 -25.654  -8.263
   98    H    ARG  11           H        ARG  11   3.593 -20.982  -1.376
   99    HA   ARG  11           HA       ARG  11   6.050 -21.313   0.214
  100    HB2  ARG  11           2HB      ARG  11   5.351 -19.323   1.462
  101    HB3  ARG  11           3HB      ARG  11   5.501 -18.978  -0.256
  102    HG2  ARG  11           2HG      ARG  11   2.820 -19.780   0.658
  103    HG3  ARG  11           3HG      ARG  11   3.409 -18.225   1.248
  104    HD2  ARG  11           2HD      ARG  11   3.843 -17.510  -1.042
  105    HD3  ARG  11           3HD      ARG  11   3.295 -19.075  -1.643
  106    HE   ARG  11           HE       ARG  11   1.653 -16.882  -0.749
  107   HH11  ARG  11          1HH1      ARG  11   1.818 -20.309  -1.341
  108   HH12  ARG  11          2HH1      ARG  11   0.105 -20.491  -1.531
  109   HH21  ARG  11          1HH2      ARG  11  -0.604 -17.109  -0.996
  110   HH22  ARG  11          2HH2      ARG  11  -1.271 -18.670  -1.335
  111    H    LYS  12           H        LYS  12   5.916 -22.002   2.341
  112    HA   LYS  12           HA       LYS  12   3.667 -23.681   2.951
  113    HB2  LYS  12           2HB      LYS  12   5.814 -24.516   3.557
  114    HB3  LYS  12           3HB      LYS  12   6.223 -23.037   4.416
  115    HG2  LYS  12           2HG      LYS  12   5.120 -23.652   6.283
  116    HG3  LYS  12           3HG      LYS  12   3.844 -24.481   5.388
  117    HD2  LYS  12           2HD      LYS  12   6.596 -25.635   5.399
  118    HD3  LYS  12           3HD      LYS  12   5.577 -25.834   6.826
  119    HE2  LYS  12           2HE      LYS  12   4.916 -27.688   5.702
  120    HE3  LYS  12           3HE      LYS  12   3.812 -26.538   4.949
  121    HZ1  LYS  12           3HZ      LYS  12   5.009 -26.514   3.014
  122    HZ2  LYS  12           1HZ      LYS  12   5.251 -28.118   3.495
  123    HZ3  LYS  12           2HZ      LYS  12   6.461 -26.965   3.755
  124    H    PHE  13           H        PHE  13   5.272 -21.354   5.108
  125    HA   PHE  13           HA       PHE  13   2.755 -20.821   6.430
  126    HB2  PHE  13           2HB      PHE  13   5.237 -20.981   7.405
  127    HB3  PHE  13           3HB      PHE  13   5.198 -19.251   7.081
  128    HD1  PHE  13           HD1      PHE  13   3.558 -17.814   8.225
  129    HD2  PHE  13           HD2      PHE  13   3.995 -21.936   9.190
  130    HE1  PHE  13           HE1      PHE  13   2.353 -17.443  10.338
  131    HE2  PHE  13           HE2      PHE  13   2.790 -21.573  11.304
  132    HZ   PHE  13           HZ       PHE  13   1.967 -19.324  11.880
  133    H    LYS  14           H        LYS  14   1.695 -18.849   6.529
  134    HA   LYS  14           HA       LYS  14   2.343 -17.002   4.338
  135    HB2  LYS  14           2HB      LYS  14  -0.217 -17.643   5.786
  136    HB3  LYS  14           3HB      LYS  14  -0.054 -16.187   4.813
  137    HG2  LYS  14           2HG      LYS  14   0.523 -18.914   3.703
  138    HG3  LYS  14           3HG      LYS  14  -1.100 -18.221   3.708
  139    HD2  LYS  14           2HD      LYS  14   1.221 -16.698   2.577
  140    HD3  LYS  14           3HD      LYS  14   0.379 -17.913   1.612
  141    HE2  LYS  14           2HE      LYS  14  -1.711 -16.732   1.880
  142    HE3  LYS  14           3HE      LYS  14  -0.952 -15.570   2.968
  143    HZ1  LYS  14           3HZ      LYS  14  -0.246 -14.379   1.253
  144    HZ2  LYS  14           1HZ      LYS  14  -1.198 -15.348   0.244
  145    HZ3  LYS  14           2HZ      LYS  14   0.432 -15.726   0.488
  146    H    LEU  15           H        LEU  15   2.740 -14.876   4.695
  147    HA   LEU  15           HA       LEU  15   3.455 -13.037   5.834
  148    HB2  LEU  15           2HB      LEU  15   0.948 -13.848   7.237
  149    HB3  LEU  15           3HB      LEU  15   1.903 -12.510   7.872
  150    HG   LEU  15           HG       LEU  15   0.039 -11.751   6.467
  151   HD11  LEU  15          1HD1      LEU  15   1.788 -10.677   4.667
  152   HD12  LEU  15          2HD1      LEU  15   2.856 -11.139   5.991
  153   HD13  LEU  15          3HD1      LEU  15   1.492 -10.062   6.293
  154   HD21  LEU  15          3HD2      LEU  15  -0.089 -12.218   4.146
  155   HD22  LEU  15          1HD2      LEU  15   0.101 -13.770   4.962
  156   HD23  LEU  15          2HD2      LEU  15   1.480 -13.026   4.151
  157    H    TYR  16           H        TYR  16   4.731 -15.508   6.532
  158    HA   TYR  16           HA       TYR  16   5.026 -15.956   9.259
  159    HB2  TYR  16           2HB      TYR  16   7.387 -16.742   8.564
  160    HB3  TYR  16           3HB      TYR  16   5.997 -17.567   7.866
  161    HD1  TYR  16           HD1      TYR  16   7.971 -14.487   7.063
  162    HD2  TYR  16           HD2      TYR  16   6.275 -18.126   5.654
  163    HE1  TYR  16           HE1      TYR  16   8.827 -14.006   4.808
  164    HE2  TYR  16           HE2      TYR  16   7.127 -17.656   3.395
  165    HH   TYR  16           HH       TYR  16   7.797 -15.641   2.064
  166    H    HIS  17           H        HIS  17   7.397 -15.616  10.251
  167    HA   HIS  17           HA       HIS  17   7.640 -12.737  10.545
  168    HB2  HIS  17           2HB      HIS  17   8.506 -15.122  12.091
  169    HB3  HIS  17           3HB      HIS  17   9.497 -13.674  12.239
  170    HD1  HIS  17           HD1      HIS  17   8.846 -12.377  14.226
  171    HD2  HIS  17           HD2      HIS  17   5.567 -14.217  12.458
  172    HE1  HIS  17           HE1      HIS  17   6.865 -11.707  15.623
  173    H    GLU  18           H        GLU  18   8.449 -12.681   8.233
  174    HA   GLU  18           HA       GLU  18  11.344 -12.520   8.308
  175    HB2  GLU  18           2HB      GLU  18  10.163 -14.794   7.219
  176    HB3  GLU  18           3HB      GLU  18  10.529 -13.791   5.822
  177    HG2  GLU  18           2HG      GLU  18  12.389 -15.205   6.175
  178    HG3  GLU  18           3HG      GLU  18  12.865 -13.586   6.686
  179    H    GLY  19           H        GLY  19  11.165 -10.313   8.046
  180    HA2  GLY  19           2HA      GLY  19  11.090  -8.361   6.837
  181    HA3  GLY  19           3HA      GLY  19  10.950  -9.351   5.391
  182    H    LYS  20           H        LYS  20   9.444  -7.042   7.187
  183    HA   LYS  20           HA       LYS  20   6.721  -7.903   6.902
  184    HB2  LYS  20           2HB      LYS  20   8.118  -5.478   7.895
  185    HB3  LYS  20           3HB      LYS  20   6.465  -5.266   7.334
  186    HG2  LYS  20           2HG      LYS  20   6.084  -5.710   9.532
  187    HG3  LYS  20           3HG      LYS  20   6.028  -7.351   8.882
  188    HD2  LYS  20           2HD      LYS  20   8.127  -7.888   9.718
  189    HD3  LYS  20           3HD      LYS  20   8.614  -6.196   9.855
  190    HE2  LYS  20           2HE      LYS  20   6.803  -5.985  11.629
  191    HE3  LYS  20           3HE      LYS  20   6.730  -7.746  11.613
  192    HZ1  LYS  20           3HZ      LYS  20   8.244  -6.620  13.311
  193    HZ2  LYS  20           1HZ      LYS  20   9.291  -6.334  12.013
  194    HZ3  LYS  20           2HZ      LYS  20   8.879  -7.920  12.434
  195    H    PHE  21           H        PHE  21   6.392  -8.343   4.725
  196    HA   PHE  21           HA       PHE  21   5.479  -6.237   3.125
  197    HB2  PHE  21           2HB      PHE  21   8.178  -6.212   3.048
  198    HB3  PHE  21           3HB      PHE  21   7.851  -7.344   1.740
  199    HD1  PHE  21           HD1      PHE  21   5.886  -6.511   0.117
  200    HD2  PHE  21           HD2      PHE  21   8.382  -4.005   2.485
  201    HE1  PHE  21           HE1      PHE  21   5.428  -4.628  -1.399
  202    HE2  PHE  21           HE2      PHE  21   7.928  -2.118   0.973
  203    HZ   PHE  21           HZ       PHE  21   6.449  -2.428  -0.972
  204    H    TRP  22           H        TRP  22   3.783  -7.341   2.387
  205    HA   TRP  22           HA       TRP  22   4.296  -9.782   0.843
  206    HB2  TRP  22           2HB      TRP  22   2.454  -9.468   3.176
  207    HB3  TRP  22           3HB      TRP  22   1.966 -10.522   1.852
  208    HD1  TRP  22           HD1      TRP  22   4.870 -10.135   4.380
  209    HE1  TRP  22           HE1      TRP  22   5.868 -12.469   4.808
  210    HE3  TRP  22           HE3      TRP  22   2.120 -12.825   1.012
  211    HZ2  TRP  22           HZ2      TRP  22   5.534 -15.101   3.846
  212    HZ3  TRP  22           HZ3      TRP  22   2.521 -15.246   0.828
  213    HH2  TRP  22           HH2      TRP  22   4.194 -16.358   2.216
  214    H    CYS  23           H        CYS  23   4.089  -8.267  -0.937
  215    HA   CYS  23           HA       CYS  23   1.556  -8.323  -2.132
  216    HB2  CYS  23           2HB      CYS  23   0.973  -6.594  -0.503
  217    HB3  CYS  23           3HB      CYS  23   2.347  -5.622  -1.020
  218    HA   PRO  24           HA       PRO  24   4.913  -7.801  -5.131
  219    HB2  PRO  24           2HB      PRO  24   3.629  -9.143  -7.111
  220    HB3  PRO  24           3HB      PRO  24   4.518  -9.957  -5.819
  221    HG2  PRO  24           2HG      PRO  24   1.575  -9.474  -6.081
  222    HG3  PRO  24           3HG      PRO  24   2.426 -10.937  -5.552
  223    HD2  PRO  24           2HD      PRO  24   1.294  -9.200  -3.811
  224    HD3  PRO  24           3HD      PRO  24   2.758 -10.125  -3.421
  Start of MODEL    6
    1    H1   THR   1           H        THR   1   1.786   2.016  -3.098
    2    HA   THR   1           HA       THR   1   4.239   1.072  -2.544
    3    HB   THR   1           HB       THR   1   2.913   2.358  -0.925
    4    HG1  THR   1           HG1      THR   1   4.687   1.359  -0.036
    5   HG21  THR   1          3HG2      THR   1   0.917   1.679  -0.208
    6   HG22  THR   1          1HG2      THR   1   1.614   0.191   0.433
    7   HG23  THR   1          2HG2      THR   1   1.062   0.257  -1.241
    8    H    CYS   2           H        CYS   2   3.106  -0.898  -4.215
    9    HA   CYS   2           HA       CYS   2   3.257  -3.273  -2.476
   10    HB2  CYS   2           2HB      CYS   2   1.560  -2.707  -4.885
   11    HB3  CYS   2           3HB      CYS   2   1.992  -4.366  -4.481
   12    H    HIS   3           H        HIS   3   5.613  -2.285  -3.228
   13    HA   HIS   3           HA       HIS   3   6.444  -3.686  -5.662
   14    HB2  HIS   3           2HB      HIS   3   7.456  -1.374  -4.128
   15    HB3  HIS   3           3HB      HIS   3   8.694  -2.435  -4.795
   16    HD1  HIS   3           HD1      HIS   3   9.473  -0.741  -6.545
   17    HD2  HIS   3           HD2      HIS   3   5.440  -1.695  -6.835
   18    HE1  HIS   3           HE1      HIS   3   8.714   0.212  -8.745
   19    H    ILE   4           H        ILE   4   7.582  -5.519  -5.612
   20    HA   ILE   4           HA       ILE   4   9.115  -6.238  -3.244
   21    HB   ILE   4           HB       ILE   4   6.816  -7.158  -2.893
   22   HG12  ILE   4          2HG1      ILE   4   8.890  -9.316  -3.308
   23   HG13  ILE   4          3HG1      ILE   4   8.931  -8.178  -1.965
   24   HG21  ILE   4          1HG2      ILE   4   7.414  -9.130  -5.064
   25   HG22  ILE   4          2HG2      ILE   4   5.879  -8.774  -4.275
   26   HG23  ILE   4          3HG2      ILE   4   6.571  -7.623  -5.417
   27   HD11  ILE   4          3HD1      ILE   4   6.826  -9.016  -1.145
   28   HD12  ILE   4          1HD1      ILE   4   6.678 -10.088  -2.537
   29   HD13  ILE   4          2HD1      ILE   4   7.962 -10.348  -1.356
   30    H    ARG   5           H        ARG   5  10.659  -7.895  -3.610
   31    HA   ARG   5           HA       ARG   5  11.981  -7.823  -6.028
   32    HB2  ARG   5           2HB      ARG   5  13.119  -9.930  -5.249
   33    HB3  ARG   5           3HB      ARG   5  13.138  -8.602  -4.096
   34    HG2  ARG   5           2HG      ARG   5  11.170  -9.664  -2.973
   35    HG3  ARG   5           3HG      ARG   5  11.402 -11.055  -4.034
   36    HD2  ARG   5           2HD      ARG   5  13.709 -11.277  -3.170
   37    HD3  ARG   5           3HD      ARG   5  13.390  -9.949  -2.054
   38    HE   ARG   5           HE       ARG   5  11.458 -12.009  -1.770
   39   HH11  ARG   5          1HH1      ARG   5  14.749 -11.177  -0.999
   40   HH12  ARG   5          2HH1      ARG   5  14.811 -12.183   0.410
   41   HH21  ARG   5          1HH2      ARG   5  11.527 -13.338   0.082
   42   HH22  ARG   5          2HH2      ARG   5  12.977 -13.413   1.024
   43    H    ARG   6           H        ARG   6   9.714 -10.301  -4.862
   44    HA   ARG   6           HA       ARG   6   8.900 -10.881  -7.567
   45    HB2  ARG   6           2HB      ARG   6  10.789 -12.326  -7.549
   46    HB3  ARG   6           3HB      ARG   6  10.429 -12.893  -5.924
   47    HG2  ARG   6           2HG      ARG   6   8.601 -14.179  -6.667
   48    HG3  ARG   6           3HG      ARG   6   8.592 -13.390  -8.246
   49    HD2  ARG   6           2HD      ARG   6  10.879 -15.063  -7.223
   50    HD3  ARG   6           3HD      ARG   6   9.566 -15.703  -8.211
   51    HE   ARG   6           HE       ARG   6  11.763 -14.059  -9.089
   52   HH11  ARG   6          1HH1      ARG   6   8.536 -15.169  -9.777
   53   HH12  ARG   6          2HH1      ARG   6   8.659 -14.878 -11.481
   54   HH21  ARG   6          1HH2      ARG   6  11.937 -13.671 -11.330
   55   HH22  ARG   6          2HH2      ARG   6  10.594 -14.026 -12.363
   56    H    LYS   7           H        LYS   7   6.834 -11.572  -7.638
   57    HA   LYS   7           HA       LYS   7   5.202 -11.428  -5.372
   58    HB2  LYS   7           2HB      LYS   7   3.455 -12.464  -6.836
   59    HB3  LYS   7           3HB      LYS   7   4.252 -11.064  -7.542
   60    HG2  LYS   7           2HG      LYS   7   4.173 -12.542  -9.309
   61    HG3  LYS   7           3HG      LYS   7   5.796 -12.807  -8.667
   62    HD2  LYS   7           2HD      LYS   7   5.305 -14.894  -7.925
   63    HD3  LYS   7           3HD      LYS   7   3.638 -14.474  -7.522
   64    HE2  LYS   7           2HE      LYS   7   3.437 -15.953  -9.319
   65    HE3  LYS   7           3HE      LYS   7   3.256 -14.360 -10.051
   66    HZ1  LYS   7           3HZ      LYS   7   5.940 -14.851 -10.146
   67    HZ2  LYS   7           1HZ      LYS   7   4.856 -14.986 -11.437
   68    HZ3  LYS   7           2HZ      LYS   7   5.250 -16.349 -10.517
   69    HA   PRO   8           HA       PRO   8   5.440 -15.369  -3.454
   70    HB2  PRO   8           2HB      PRO   8   2.891 -15.690  -2.577
   71    HB3  PRO   8           3HB      PRO   8   4.020 -14.544  -1.847
   72    HG2  PRO   8           2HG      PRO   8   1.842 -14.049  -3.839
   73    HG3  PRO   8           3HG      PRO   8   2.284 -13.102  -2.407
   74    HD2  PRO   8           2HD      PRO   8   3.031 -12.391  -4.911
   75    HD3  PRO   8           3HD      PRO   8   4.032 -12.054  -3.484
   76    H    LYS   9           H        LYS   9   5.465 -17.390  -4.209
   77    HA   LYS   9           HA       LYS   9   3.420 -18.171  -6.184
   78    HB2  LYS   9           2HB      LYS   9   5.555 -18.015  -7.275
   79    HB3  LYS   9           3HB      LYS   9   6.334 -18.945  -6.001
   80    HG2  LYS   9           2HG      LYS   9   5.069 -20.921  -6.653
   81    HG3  LYS   9           3HG      LYS   9   4.259 -19.992  -7.917
   82    HD2  LYS   9           2HD      LYS   9   6.352 -19.640  -9.062
   83    HD3  LYS   9           3HD      LYS   9   7.242 -20.414  -7.749
   84    HE2  LYS   9           2HE      LYS   9   7.101 -22.205  -9.129
   85    HE3  LYS   9           3HE      LYS   9   5.539 -22.390  -8.333
   86    HZ1  LYS   9           3HZ      LYS   9   4.720 -20.887 -10.249
   87    HZ2  LYS   9           1HZ      LYS   9   4.987 -22.531 -10.546
   88    HZ3  LYS   9           2HZ      LYS   9   6.133 -21.386 -11.033
   89    H    PHE  10           H        PHE  10   5.865 -19.985  -4.346
   90    HA   PHE  10           HA       PHE  10   3.689 -21.549  -3.131
   91    HB2  PHE  10           2HB      PHE  10   5.985 -22.479  -4.759
   92    HB3  PHE  10           3HB      PHE  10   5.615 -23.427  -3.322
   93    HD1  PHE  10           HD2      PHE  10   2.839 -23.615  -3.098
   94    HD2  PHE  10           HD1      PHE  10   5.154 -23.424  -6.665
   95    HE1  PHE  10           HE2      PHE  10   1.043 -24.768  -4.321
   96    HE2  PHE  10           HE1      PHE  10   3.361 -24.576  -7.894
   97    HZ   PHE  10           HZ       PHE  10   1.302 -25.251  -6.722
   98    H    ARG  11           H        ARG  11   3.873 -20.502  -1.162
   99    HA   ARG  11           HA       ARG  11   6.425 -20.900   0.259
  100    HB2  ARG  11           2HB      ARG  11   5.822 -18.961   1.649
  101    HB3  ARG  11           3HB      ARG  11   5.942 -18.533  -0.052
  102    HG2  ARG  11           2HG      ARG  11   3.262 -19.289   0.932
  103    HG3  ARG  11           3HG      ARG  11   3.925 -17.759   1.513
  104    HD2  ARG  11           2HD      ARG  11   4.296 -17.043  -0.794
  105    HD3  ARG  11           3HD      ARG  11   3.652 -18.576  -1.378
  106    HE   ARG  11           HE       ARG  11   2.153 -16.321  -0.395
  107   HH11  ARG  11          1HH1      ARG  11   2.137 -19.748  -1.011
  108   HH12  ARG  11          2HH1      ARG  11   0.411 -19.852  -1.120
  109   HH21  ARG  11          1HH2      ARG  11  -0.121 -16.446  -0.536
  110   HH22  ARG  11          2HH2      ARG  11  -0.872 -17.974  -0.850
  111    H    LYS  12           H        LYS  12   6.383 -21.731   2.328
  112    HA   LYS  12           HA       LYS  12   4.254 -23.482   2.961
  113    HB2  LYS  12           2HB      LYS  12   6.787 -22.641   4.293
  114    HB3  LYS  12           3HB      LYS  12   5.576 -23.469   5.263
  115    HG2  LYS  12           2HG      LYS  12   6.938 -25.188   4.527
  116    HG3  LYS  12           3HG      LYS  12   5.589 -25.232   3.389
  117    HD2  LYS  12           2HD      LYS  12   6.848 -24.316   1.667
  118    HD3  LYS  12           3HD      LYS  12   8.035 -23.619   2.772
  119    HE2  LYS  12           2HE      LYS  12   8.864 -25.854   3.297
  120    HE3  LYS  12           3HE      LYS  12   7.663 -26.562   2.218
  121    HZ1  LYS  12           3HZ      LYS  12  10.184 -25.856   1.521
  122    HZ2  LYS  12           1HZ      LYS  12   9.271 -24.548   0.954
  123    HZ3  LYS  12           2HZ      LYS  12   8.908 -26.119   0.442
  124    H    PHE  13           H        PHE  13   5.509 -20.887   5.054
  125    HA   PHE  13           HA       PHE  13   2.914 -20.633   6.313
  126    HB2  PHE  13           2HB      PHE  13   5.645 -19.520   6.837
  127    HB3  PHE  13           3HB      PHE  13   4.242 -18.758   7.578
  128    HD1  PHE  13           HD1      PHE  13   2.568 -20.528   8.694
  129    HD2  PHE  13           HD2      PHE  13   6.738 -21.108   8.066
  130    HE1  PHE  13           HE1      PHE  13   2.600 -22.211  10.488
  131    HE2  PHE  13           HE2      PHE  13   6.777 -22.793   9.859
  132    HZ   PHE  13           HZ       PHE  13   4.706 -23.347  11.072
  133    H    LYS  14           H        LYS  14   2.421 -18.152   6.885
  134    HA   LYS  14           HA       LYS  14   2.589 -16.572   4.415
  135    HB2  LYS  14           2HB      LYS  14   0.107 -17.323   5.940
  136    HB3  LYS  14           3HB      LYS  14   0.161 -15.875   4.943
  137    HG2  LYS  14           2HG      LYS  14   0.860 -18.585   3.860
  138    HG3  LYS  14           3HG      LYS  14  -0.796 -17.976   3.891
  139    HD2  LYS  14           2HD      LYS  14   1.467 -16.434   2.646
  140    HD3  LYS  14           3HD      LYS  14   0.520 -17.618   1.743
  141    HE2  LYS  14           2HE      LYS  14  -0.573 -15.186   3.156
  142    HE3  LYS  14           3HE      LYS  14  -0.322 -15.340   1.418
  143    HZ1  LYS  14           3HZ      LYS  14  -1.830 -17.491   1.942
  144    HZ2  LYS  14           1HZ      LYS  14  -2.448 -16.000   1.433
  145    HZ3  LYS  14           2HZ      LYS  14  -2.441 -16.396   3.078
  146    H    LEU  15           H        LEU  15   2.900 -14.425   4.707
  147    HA   LEU  15           HA       LEU  15   3.539 -12.520   5.779
  148    HB2  LEU  15           2HB      LEU  15   1.102 -13.412   7.255
  149    HB3  LEU  15           3HB      LEU  15   2.001 -12.010   7.831
  150    HG   LEU  15           HG       LEU  15   0.072 -11.392   6.440
  151   HD11  LEU  15          1HD1      LEU  15   1.718 -10.265   4.586
  152   HD12  LEU  15          2HD1      LEU  15   2.847 -10.651   5.884
  153   HD13  LEU  15          3HD1      LEU  15   1.442  -9.637   6.210
  154   HD21  LEU  15          3HD2      LEU  15  -0.252 -12.084   4.282
  155   HD22  LEU  15          1HD2      LEU  15   0.488 -13.530   4.967
  156   HD23  LEU  15          2HD2      LEU  15   1.460 -12.412   4.011
  157    H    TYR  16           H        TYR  16   4.989 -14.859   6.502
  158    HA   TYR  16           HA       TYR  16   5.346 -15.246   9.233
  159    HB2  TYR  16           2HB      TYR  16   7.746 -15.882   8.512
  160    HB3  TYR  16           3HB      TYR  16   6.404 -16.813   7.856
  161    HD1  TYR  16           HD1      TYR  16   8.143 -13.621   6.956
  162    HD2  TYR  16           HD2      TYR  16   6.686 -17.400   5.652
  163    HE1  TYR  16           HE1      TYR  16   8.925 -13.129   4.677
  164    HE2  TYR  16           HE2      TYR  16   7.465 -16.919   3.369
  165    HH   TYR  16           HH       TYR  16   9.508 -15.178   2.450
  166    H    HIS  17           H        HIS  17   7.744 -14.740  10.142
  167    HA   HIS  17           HA       HIS  17   7.785 -11.846  10.407
  168    HB2  HIS  17           2HB      HIS  17   7.881 -13.249  12.428
  169    HB3  HIS  17           3HB      HIS  17   9.385 -13.966  11.858
  170    HD1  HIS  17           HD1      HIS  17   8.129 -10.428  12.533
  171    HD2  HIS  17           HD2      HIS  17  11.520 -12.784  12.998
  172    HE1  HIS  17           HE1      HIS  17   9.814  -8.962  13.689
  173    H    GLU  18           H        GLU  18   8.536 -11.768   8.076
  174    HA   GLU  18           HA       GLU  18  11.414 -11.409   8.081
  175    HB2  GLU  18           2HB      GLU  18  10.366 -13.773   7.048
  176    HB3  GLU  18           3HB      GLU  18  10.636 -12.768   5.632
  177    HG2  GLU  18           2HG      GLU  18  12.623 -13.936   5.868
  178    HG3  GLU  18           3HG      GLU  18  12.973 -12.368   6.594
  179    H    GLY  19           H        GLY  19  11.045  -9.219   7.811
  180    HA2  GLY  19           2HA      GLY  19  10.810  -7.294   6.578
  181    HA3  GLY  19           3HA      GLY  19  10.726  -8.309   5.146
  182    H    LYS  20           H        LYS  20   9.088  -6.059   6.853
  183    HA   LYS  20           HA       LYS  20   6.427  -7.138   6.654
  184    HB2  LYS  20           2HB      LYS  20   7.656  -4.598   7.577
  185    HB3  LYS  20           3HB      LYS  20   5.987  -4.514   7.028
  186    HG2  LYS  20           2HG      LYS  20   5.479  -6.390   8.621
  187    HG3  LYS  20           3HG      LYS  20   7.106  -6.176   9.269
  188    HD2  LYS  20           2HD      LYS  20   6.585  -3.857   9.831
  189    HD3  LYS  20           3HD      LYS  20   4.964  -4.051   9.158
  190    HE2  LYS  20           2HE      LYS  20   6.041  -5.723  11.420
  191    HE3  LYS  20           3HE      LYS  20   5.126  -4.236  11.661
  192    HZ1  LYS  20           3HZ      LYS  20   4.215  -6.840  10.682
  193    HZ2  LYS  20           1HZ      LYS  20   3.451  -5.456  10.081
  194    HZ3  LYS  20           2HZ      LYS  20   3.459  -5.762  11.744
  195    H    PHE  21           H        PHE  21   6.100  -7.651   4.494
  196    HA   PHE  21           HA       PHE  21   5.017  -5.655   2.860
  197    HB2  PHE  21           2HB      PHE  21   7.707  -5.440   2.742
  198    HB3  PHE  21           3HB      PHE  21   7.442  -6.619   1.462
  199    HD1  PHE  21           HD1      PHE  21   5.505  -5.986  -0.216
  200    HD2  PHE  21           HD2      PHE  21   7.640  -3.211   2.204
  201    HE1  PHE  21           HE1      PHE  21   4.894  -4.172  -1.762
  202    HE2  PHE  21           HE2      PHE  21   7.032  -1.393   0.663
  203    HZ   PHE  21           HZ       PHE  21   5.656  -1.872  -1.323
  204    H    TRP  22           H        TRP  22   3.396  -6.894   2.171
  205    HA   TRP  22           HA       TRP  22   4.063  -9.329   0.677
  206    HB2  TRP  22           2HB      TRP  22   2.234  -9.091   3.028
  207    HB3  TRP  22           3HB      TRP  22   1.804 -10.208   1.735
  208    HD1  TRP  22           HD1      TRP  22   4.739  -9.549   4.176
  209    HE1  TRP  22           HE1      TRP  22   5.893 -11.799   4.656
  210    HE3  TRP  22           HE3      TRP  22   2.066 -12.526   0.994
  211    HZ2  TRP  22           HZ2      TRP  22   5.697 -14.481   3.798
  212    HZ3  TRP  22           HZ3      TRP  22   2.612 -14.923   0.883
  213    HH2  TRP  22           HH2      TRP  22   4.391 -15.878   2.256
  214    H    CYS  23           H        CYS  23   3.727  -7.870  -1.132
  215    HA   CYS  23           HA       CYS  23   1.199  -8.143  -2.301
  216    HB2  CYS  23           2HB      CYS  23   0.465  -6.450  -0.714
  217    HB3  CYS  23           3HB      CYS  23   1.775  -5.382  -1.206
  218    HA   PRO  24           HA       PRO  24   4.480  -7.395  -5.337
  219    HB2  PRO  24           2HB      PRO  24   3.295  -8.865  -7.287
  220    HB3  PRO  24           3HB      PRO  24   4.256  -9.586  -5.990
  221    HG2  PRO  24           2HG      PRO  24   1.282  -9.346  -6.235
  222    HG3  PRO  24           3HG      PRO  24   2.252 -10.728  -5.692
  223    HD2  PRO  24           2HD      PRO  24   0.996  -9.062  -3.966
  224    HD3  PRO  24           3HD      PRO  24   2.533  -9.860  -3.575
  Start of MODEL    7
    1    H1   THR   1           H        THR   1   1.100   0.490  -4.859
    2    HA   THR   1           HA       THR   1   1.173   1.740  -2.201
    3    HB   THR   1           HB       THR   1  -0.141  -0.436  -1.601
    4    HG1  THR   1           HG1      THR   1   0.270  -1.246  -3.842
    5   HG21  THR   1          3HG2      THR   1  -0.963   2.126  -2.706
    6   HG22  THR   1          1HG2      THR   1  -1.607   1.234  -1.329
    7   HG23  THR   1          2HG2      THR   1  -2.170   0.865  -2.959
    8    H    CYS   2           H        CYS   2   2.541  -0.791  -4.138
    9    HA   CYS   2           HA       CYS   2   4.415  -1.400  -1.982
   10    HB2  CYS   2           2HB      CYS   2   4.195  -3.868  -2.555
   11    HB3  CYS   2           3HB      CYS   2   2.862  -3.161  -1.648
   12    H    HIS   3           H        HIS   3   6.293  -2.675  -2.777
   13    HA   HIS   3           HA       HIS   3   6.750  -2.565  -5.650
   14    HB2  HIS   3           2HB      HIS   3   8.992  -1.422  -5.214
   15    HB3  HIS   3           3HB      HIS   3   7.556  -0.408  -5.117
   16    HD1  HIS   3           HD1      HIS   3   6.822   0.371  -2.726
   17    HD2  HIS   3           HD2      HIS   3  10.436  -1.673  -2.863
   18    HE1  HIS   3           HE1      HIS   3   7.925   0.806  -0.508
   19    H    ILE   4           H        ILE   4   7.171  -4.676  -5.929
   20    HA   ILE   4           HA       ILE   4   9.641  -5.762  -5.130
   21    HB   ILE   4           HB       ILE   4   8.464  -5.925  -2.939
   22   HG12  ILE   4          2HG1      ILE   4   9.025  -8.317  -2.557
   23   HG13  ILE   4          3HG1      ILE   4   9.163  -8.537  -4.298
   24   HG21  ILE   4          1HG2      ILE   4   6.270  -6.581  -4.349
   25   HG22  ILE   4          2HG2      ILE   4   6.820  -8.186  -3.873
   26   HG23  ILE   4          3HG2      ILE   4   6.484  -6.969  -2.642
   27   HD11  ILE   4          3HD1      ILE   4  11.131  -7.373  -4.424
   28   HD12  ILE   4          1HD1      ILE   4  10.800  -6.440  -2.965
   29   HD13  ILE   4          2HD1      ILE   4  11.279  -8.133  -2.839
   30    H    ARG   5           H        ARG   5  10.122  -7.653  -6.220
   31    HA   ARG   5           HA       ARG   5   8.237  -8.369  -8.319
   32    HB2  ARG   5           2HB      ARG   5  10.131  -9.608  -9.291
   33    HB3  ARG   5           3HB      ARG   5  10.540  -7.928  -8.969
   34    HG2  ARG   5           2HG      ARG   5  11.667  -8.635  -6.890
   35    HG3  ARG   5           3HG      ARG   5  11.321 -10.315  -7.309
   36    HD2  ARG   5           2HD      ARG   5  13.554  -9.859  -7.995
   37    HD3  ARG   5           3HD      ARG   5  12.563  -9.940  -9.452
   38    HE   ARG   5           HE       ARG   5  12.619  -7.285  -8.757
   39   HH11  ARG   5          1HH1      ARG   5  14.980  -9.725  -9.527
   40   HH12  ARG   5          2HH1      ARG   5  16.116  -8.600 -10.194
   41   HH21  ARG   5          1HH2      ARG   5  14.106  -5.795  -9.632
   42   HH22  ARG   5          2HH2      ARG   5  15.619  -6.365 -10.252
   43    H    ARG   6           H        ARG   6   9.930  -9.862  -5.602
   44    HA   ARG   6           HA       ARG   6   9.215 -12.517  -6.025
   45    HB2  ARG   6           2HB      ARG   6   9.826 -10.925  -3.555
   46    HB3  ARG   6           3HB      ARG   6   9.330 -12.607  -3.428
   47    HG2  ARG   6           2HG      ARG   6  11.592 -11.817  -5.218
   48    HG3  ARG   6           3HG      ARG   6  11.840 -12.043  -3.485
   49    HD2  ARG   6           2HD      ARG   6  10.791 -14.314  -3.740
   50    HD3  ARG   6           3HD      ARG   6  10.850 -14.065  -5.485
   51    HE   ARG   6           HE       ARG   6  13.390 -13.682  -4.222
   52   HH11  ARG   6          1HH1      ARG   6  11.190 -16.061  -5.493
   53   HH12  ARG   6          2HH1      ARG   6  12.431 -17.225  -5.819
   54   HH21  ARG   6          1HH2      ARG   6  15.033 -15.205  -4.647
   55   HH22  ARG   6          2HH2      ARG   6  14.617 -16.737  -5.337
   56    H    LYS   7           H        LYS   7   7.176 -13.057  -6.546
   57    HA   LYS   7           HA       LYS   7   4.980 -12.023  -4.890
   58    HB2  LYS   7           2HB      LYS   7   3.497 -12.750  -6.704
   59    HB3  LYS   7           3HB      LYS   7   4.733 -11.646  -7.291
   60    HG2  LYS   7           2HG      LYS   7   4.783 -13.228  -8.930
   61    HG3  LYS   7           3HG      LYS   7   6.010 -13.874  -7.838
   62    HD2  LYS   7           2HD      LYS   7   4.712 -15.629  -7.200
   63    HD3  LYS   7           3HD      LYS   7   3.210 -14.717  -7.364
   64    HE2  LYS   7           2HE      LYS   7   4.806 -15.456  -9.785
   65    HE3  LYS   7           3HE      LYS   7   3.735 -16.637  -9.032
   66    HZ1  LYS   7           3HZ      LYS   7   2.033 -14.693  -9.194
   67    HZ2  LYS   7           1HZ      LYS   7   2.344 -15.664 -10.544
   68    HZ3  LYS   7           2HZ      LYS   7   3.062 -14.138 -10.417
   69    HA   PRO   8           HA       PRO   8   4.283 -15.909  -2.970
   70    HB2  PRO   8           2HB      PRO   8   1.583 -15.874  -2.683
   71    HB3  PRO   8           3HB      PRO   8   2.665 -14.864  -1.717
   72    HG2  PRO   8           2HG      PRO   8   1.065 -14.145  -4.143
   73    HG3  PRO   8           3HG      PRO   8   1.301 -13.225  -2.645
   74    HD2  PRO   8           2HD      PRO   8   2.670 -12.684  -4.918
   75    HD3  PRO   8           3HD      PRO   8   3.367 -12.442  -3.303
   76    H    LYS   9           H        LYS   9   3.973 -17.994  -3.543
   77    HA   LYS   9           HA       LYS   9   2.150 -18.668  -5.711
   78    HB2  LYS   9           2HB      LYS   9   4.372 -18.156  -6.755
   79    HB3  LYS   9           3HB      LYS   9   5.059 -19.478  -5.822
   80    HG2  LYS   9           2HG      LYS   9   2.693 -20.065  -7.510
   81    HG3  LYS   9           3HG      LYS   9   4.240 -19.791  -8.314
   82    HD2  LYS   9           2HD      LYS   9   5.236 -21.504  -6.774
   83    HD3  LYS   9           3HD      LYS   9   3.599 -21.862  -6.218
   84    HE2  LYS   9           2HE      LYS   9   3.753 -23.427  -7.858
   85    HE3  LYS   9           3HE      LYS   9   3.183 -22.076  -8.837
   86    HZ1  LYS   9           3HZ      LYS   9   5.559 -23.521  -9.107
   87    HZ2  LYS   9           1HZ      LYS   9   5.976 -21.940  -8.674
   88    HZ3  LYS   9           2HZ      LYS   9   5.018 -22.218 -10.040
   89    H    PHE  10           H        PHE  10   4.861 -20.298  -4.067
   90    HA   PHE  10           HA       PHE  10   2.929 -22.288  -3.073
   91    HB2  PHE  10           2HB      PHE  10   4.537 -24.023  -3.387
   92    HB3  PHE  10           3HB      PHE  10   4.490 -23.101  -4.886
   93    HD1  PHE  10           HD1      PHE  10   6.261 -21.193  -5.085
   94    HD2  PHE  10           HD2      PHE  10   6.571 -24.495  -2.419
   95    HE1  PHE  10           HE1      PHE  10   8.694 -20.854  -4.955
   96    HE2  PHE  10           HE2      PHE  10   9.004 -24.162  -2.283
   97    HZ   PHE  10           HZ       PHE  10  10.069 -22.339  -3.551
   98    H    ARG  11           H        ARG  11   3.870 -19.851  -1.766
   99    HA   ARG  11           HA       ARG  11   5.870 -20.331   0.127
  100    HB2  ARG  11           2HB      ARG  11   4.924 -18.465   1.370
  101    HB3  ARG  11           3HB      ARG  11   4.945 -18.101  -0.350
  102    HG2  ARG  11           2HG      ARG  11   2.456 -19.328   0.546
  103    HG3  ARG  11           3HG      ARG  11   2.808 -17.783   1.322
  104    HD2  ARG  11           2HD      ARG  11   3.179 -16.807  -0.937
  105    HD3  ARG  11           3HD      ARG  11   2.655 -18.337  -1.638
  106    HE   ARG  11           HE       ARG  11   0.991 -16.301  -0.475
  107   HH11  ARG  11          1HH1      ARG  11   1.252 -19.678  -1.278
  108   HH12  ARG  11          2HH1      ARG  11  -0.461 -19.928  -1.348
  109   HH21  ARG  11          1HH2      ARG  11  -1.266 -16.616  -0.564
  110   HH22  ARG  11          2HH2      ARG  11  -1.892 -18.185  -0.942
  111    H    LYS  12           H        LYS  12   5.810 -20.988   2.284
  112    HA   LYS  12           HA       LYS  12   3.912 -23.053   2.861
  113    HB2  LYS  12           2HB      LYS  12   6.309 -21.916   4.246
  114    HB3  LYS  12           3HB      LYS  12   5.203 -22.944   5.149
  115    HG2  LYS  12           2HG      LYS  12   5.570 -24.766   3.627
  116    HG3  LYS  12           3HG      LYS  12   6.551 -23.741   2.577
  117    HD2  LYS  12           2HD      LYS  12   7.285 -24.180   5.453
  118    HD3  LYS  12           3HD      LYS  12   7.755 -25.333   4.202
  119    HE2  LYS  12           2HE      LYS  12   8.355 -22.390   4.022
  120    HE3  LYS  12           3HE      LYS  12   9.451 -23.542   4.782
  121    HZ1  LYS  12           3HZ      LYS  12   9.663 -24.717   2.726
  122    HZ2  LYS  12           1HZ      LYS  12   9.974 -23.080   2.430
  123    HZ3  LYS  12           2HZ      LYS  12   8.488 -23.752   1.982
  124    H    PHE  13           H        PHE  13   4.894 -20.395   5.010
  125    HA   PHE  13           HA       PHE  13   2.149 -20.277   6.015
  126    HB2  PHE  13           2HB      PHE  13   4.817 -19.479   7.100
  127    HB3  PHE  13           3HB      PHE  13   3.379 -18.663   7.705
  128    HD1  PHE  13           HD1      PHE  13   5.056 -21.929   7.382
  129    HD2  PHE  13           HD2      PHE  13   1.895 -19.735   9.202
  130    HE1  PHE  13           HE1      PHE  13   4.652 -23.800   8.929
  131    HE2  PHE  13           HE2      PHE  13   1.487 -21.602  10.752
  132    HZ   PHE  13           HZ       PHE  13   2.867 -23.637  10.617
  133    H    LYS  14           H        LYS  14   1.049 -18.279   6.267
  134    HA   LYS  14           HA       LYS  14   1.707 -16.363   4.165
  135    HB2  LYS  14           2HB      LYS  14  -0.764 -16.862   5.815
  136    HB3  LYS  14           3HB      LYS  14  -0.594 -15.432   4.806
  137    HG2  LYS  14           2HG      LYS  14  -0.317 -18.229   3.743
  138    HG3  LYS  14           3HG      LYS  14  -1.851 -17.356   3.789
  139    HD2  LYS  14           2HD      LYS  14   0.602 -16.212   2.479
  140    HD3  LYS  14           3HD      LYS  14  -0.517 -17.267   1.613
  141    HE2  LYS  14           2HE      LYS  14  -2.342 -15.727   2.047
  142    HE3  LYS  14           3HE      LYS  14  -1.275 -14.696   2.999
  143    HZ1  LYS  14           3HZ      LYS  14  -0.094 -15.077   0.498
  144    HZ2  LYS  14           1HZ      LYS  14  -0.718 -13.646   1.150
  145    HZ3  LYS  14           2HZ      LYS  14  -1.712 -14.660   0.231
  146    H    LEU  15           H        LEU  15   2.416 -14.348   4.532
  147    HA   LEU  15           HA       LEU  15   3.353 -12.599   5.653
  148    HB2  LEU  15           2HB      LEU  15   0.766 -13.089   7.059
  149    HB3  LEU  15           3HB      LEU  15   1.873 -11.868   7.682
  150    HG   LEU  15           HG       LEU  15   0.117 -10.904   6.265
  151   HD11  LEU  15          1HD1      LEU  15   2.986 -10.643   5.788
  152   HD12  LEU  15          2HD1      LEU  15   1.762  -9.405   6.067
  153   HD13  LEU  15          3HD1      LEU  15   1.985 -10.076   4.452
  154   HD21  LEU  15          3HD2      LEU  15  -0.029 -12.960   4.784
  155   HD22  LEU  15          1HD2      LEU  15   1.388 -12.329   3.944
  156   HD23  LEU  15          2HD2      LEU  15  -0.107 -11.395   3.972
  157    H    TYR  16           H        TYR  16   4.341 -15.183   6.376
  158    HA   TYR  16           HA       TYR  16   4.573 -15.648   9.105
  159    HB2  TYR  16           2HB      TYR  16   6.839 -16.687   8.426
  160    HB3  TYR  16           3HB      TYR  16   5.372 -17.360   7.724
  161    HD1  TYR  16           HD2      TYR  16   7.639 -14.493   6.911
  162    HD2  TYR  16           HD1      TYR  16   5.633 -17.980   5.525
  163    HE1  TYR  16           HE2      TYR  16   8.552 -14.116   4.658
  164    HE2  TYR  16           HE1      TYR  16   6.542 -17.614   3.269
  165    HH   TYR  16           HH       TYR  16   7.652 -14.901   2.152
  166    H    HIS  17           H        HIS  17   6.946 -15.558  10.126
  167    HA   HIS  17           HA       HIS  17   7.496 -12.726  10.422
  168    HB2  HIS  17           2HB      HIS  17   8.129 -15.198  11.946
  169    HB3  HIS  17           3HB      HIS  17   9.252 -13.851  12.104
  170    HD1  HIS  17           HD1      HIS  17   6.066 -15.108  13.342
  171    HD2  HIS  17           HD2      HIS  17   7.966 -11.422  13.094
  172    HE1  HIS  17           HE1      HIS  17   4.837 -13.609  14.944
  173    H    GLU  18           H        GLU  18   8.294 -12.752   8.100
  174    HA   GLU  18           HA       GLU  18  11.190 -12.864   8.164
  175    HB2  GLU  18           2HB      GLU  18   9.797 -15.022   7.088
  176    HB3  GLU  18           3HB      GLU  18  10.258 -14.065   5.687
  177    HG2  GLU  18           2HG      GLU  18  11.963 -15.675   6.077
  178    HG3  GLU  18           3HG      GLU  18  12.600 -14.091   6.515
  179    H    GLY  19           H        GLY  19  11.176 -10.640   7.912
  180    HA2  GLY  19           2HA      GLY  19  11.289  -8.698   6.686
  181    HA3  GLY  19           3HA      GLY  19  11.060  -9.677   5.245
  182    H    LYS  20           H        LYS  20   9.879  -7.073   6.526
  183    HA   LYS  20           HA       LYS  20   7.043  -7.722   6.453
  184    HB2  LYS  20           2HB      LYS  20   8.681  -5.416   7.339
  185    HB3  LYS  20           3HB      LYS  20   7.075  -5.043   6.729
  186    HG2  LYS  20           2HG      LYS  20   6.584  -5.329   8.926
  187    HG3  LYS  20           3HG      LYS  20   6.386  -6.993   8.373
  188    HD2  LYS  20           2HD      LYS  20   8.577  -7.578   9.157
  189    HD3  LYS  20           3HD      LYS  20   8.944  -5.892   9.533
  190    HE2  LYS  20           2HE      LYS  20   7.523  -5.865  11.373
  191    HE3  LYS  20           3HE      LYS  20   6.610  -7.265  10.811
  192    HZ1  LYS  20           3HZ      LYS  20   7.859  -8.382  12.266
  193    HZ2  LYS  20           1HZ      LYS  20   9.017  -7.155  12.388
  194    HZ3  LYS  20           2HZ      LYS  20   9.094  -8.267  11.116
  195    H    PHE  21           H        PHE  21   6.633  -8.228   4.314
  196    HA   PHE  21           HA       PHE  21   5.959  -6.132   2.594
  197    HB2  PHE  21           2HB      PHE  21   8.677  -6.529   2.524
  198    HB3  PHE  21           3HB      PHE  21   8.122  -7.522   1.180
  199    HD1  PHE  21           HD2      PHE  21   6.059  -6.154  -0.113
  200    HD2  PHE  21           HD1      PHE  21   9.458  -4.495   1.840
  201    HE1  PHE  21           HE2      PHE  21   5.885  -4.146  -1.524
  202    HE2  PHE  21           HE1      PHE  21   9.289  -2.484   0.433
  203    HZ   PHE  21           HZ       PHE  21   7.502  -2.308  -1.253
  204    H    TRP  22           H        TRP  22   4.146  -7.091   1.931
  205    HA   TRP  22           HA       TRP  22   4.383  -9.634   0.493
  206    HB2  TRP  22           2HB      TRP  22   2.644  -9.060   2.854
  207    HB3  TRP  22           3HB      TRP  22   2.020 -10.110   1.584
  208    HD1  TRP  22           HD1      TRP  22   5.038  -9.909   4.003
  209    HE1  TRP  22           HE1      TRP  22   5.813 -12.312   4.507
  210    HE3  TRP  22           HE3      TRP  22   1.905 -12.449   0.861
  211    HZ2  TRP  22           HZ2      TRP  22   5.181 -14.936   3.681
  212    HZ3  TRP  22           HZ3      TRP  22   2.054 -14.904   0.777
  213    HH2  TRP  22           HH2      TRP  22   3.659 -16.119   2.158
  214    H    CYS  23           H        CYS  23   4.273  -8.174  -1.341
  215    HA   CYS  23           HA       CYS  23   1.725  -8.045  -2.488
  216    HB2  CYS  23           2HB      CYS  23   1.270  -6.236  -0.938
  217    HB3  CYS  23           3HB      CYS  23   2.748  -5.408  -1.417
  218    HA   PRO  24           HA       PRO  24   5.067  -7.880  -5.548
  219    HB2  PRO  24           2HB      PRO  24   3.656  -9.190  -7.463
  220    HB3  PRO  24           3HB      PRO  24   4.504 -10.023  -6.155
  221    HG2  PRO  24           2HG      PRO  24   1.600  -9.334  -6.393
  222    HG3  PRO  24           3HG      PRO  24   2.350 -10.837  -5.825
  223    HD2  PRO  24           2HD      PRO  24   1.377  -8.964  -4.129
  224    HD3  PRO  24           3HD      PRO  24   2.776  -9.981  -3.728
  Start of MODEL    8
    1    H1   THR   1           H        THR   1   0.640   0.941  -0.368
    2    HA   THR   1           HA       THR   1   0.588  -0.039  -3.149
    3    HB   THR   1           HB       THR   1   2.327   1.786  -3.568
    4    HG1  THR   1           HG1      THR   1   2.593   2.210  -1.248
    5   HG21  THR   1          3HG2      THR   1  -0.295   3.013  -2.829
    6   HG22  THR   1          1HG2      THR   1  -0.242   1.774  -4.082
    7   HG23  THR   1          2HG2      THR   1   0.692   3.258  -4.269
    8    H    CYS   2           H        CYS   2   2.404  -1.064  -3.948
    9    HA   CYS   2           HA       CYS   2   4.680  -1.441  -2.145
   10    HB2  CYS   2           2HB      CYS   2   4.641  -3.913  -2.759
   11    HB3  CYS   2           3HB      CYS   2   3.409  -3.371  -1.625
   12    H    HIS   3           H        HIS   3   6.253  -3.087  -3.479
   13    HA   HIS   3           HA       HIS   3   6.571  -1.821  -6.120
   14    HB2  HIS   3           2HB      HIS   3   8.326  -1.369  -4.325
   15    HB3  HIS   3           3HB      HIS   3   8.790  -3.059  -4.495
   16    HD1  HIS   3           HD1      HIS   3  10.164  -3.704  -6.537
   17    HD2  HIS   3           HD2      HIS   3   8.931   0.263  -6.570
   18    HE1  HIS   3           HE1      HIS   3  11.447  -2.617  -8.407
   19    H    ILE   4           H        ILE   4   7.004  -3.079  -7.896
   20    HA   ILE   4           HA       ILE   4   6.290  -5.873  -7.665
   21    HB   ILE   4           HB       ILE   4   7.102  -4.391 -10.164
   22   HG12  ILE   4          2HG1      ILE   4   5.250  -3.206  -9.095
   23   HG13  ILE   4          3HG1      ILE   4   4.691  -4.033 -10.545
   24   HG21  ILE   4          1HG2      ILE   4   5.189  -6.313 -10.751
   25   HG22  ILE   4          2HG2      ILE   4   6.921  -6.418 -11.063
   26   HG23  ILE   4          3HG2      ILE   4   6.251  -7.092  -9.578
   27   HD11  ILE   4          3HD1      ILE   4   3.042  -4.779  -9.253
   28   HD12  ILE   4          1HD1      ILE   4   4.239  -5.898  -8.602
   29   HD13  ILE   4          2HD1      ILE   4   3.903  -4.382  -7.766
   30    H    ARG   5           H        ARG   5   7.765  -7.353  -7.191
   31    HA   ARG   5           HA       ARG   5  10.269  -7.421  -8.646
   32    HB2  ARG   5           2HB      ARG   5  11.570  -7.731  -6.491
   33    HB3  ARG   5           3HB      ARG   5  11.030  -6.094  -6.838
   34    HG2  ARG   5           2HG      ARG   5   9.077  -6.517  -5.326
   35    HG3  ARG   5           3HG      ARG   5   9.853  -8.034  -4.866
   36    HD2  ARG   5           2HD      ARG   5  11.785  -5.961  -4.682
   37    HD3  ARG   5           3HD      ARG   5  10.323  -5.418  -3.859
   38    HE   ARG   5           HE       ARG   5  10.671  -7.013  -2.242
   39   HH11  ARG   5          1HH1      ARG   5  12.764  -7.622  -4.956
   40   HH12  ARG   5          2HH1      ARG   5  13.692  -8.833  -4.135
   41   HH21  ARG   5          1HH2      ARG   5  11.885  -8.606  -1.151
   42   HH22  ARG   5          2HH2      ARG   5  13.191  -9.393  -1.971
   43    H    ARG   6           H        ARG   6   8.416  -8.859  -5.971
   44    HA   ARG   6           HA       ARG   6   8.598 -11.458  -7.242
   45    HB2  ARG   6           2HB      ARG   6   9.866 -10.840  -4.583
   46    HB3  ARG   6           3HB      ARG   6   9.336 -12.466  -4.994
   47    HG2  ARG   6           2HG      ARG   6  11.340 -10.838  -6.544
   48    HG3  ARG   6           3HG      ARG   6  11.721 -12.139  -5.414
   49    HD2  ARG   6           2HD      ARG   6  10.147 -13.555  -6.915
   50    HD3  ARG   6           3HD      ARG   6  10.427 -12.286  -8.107
   51    HE   ARG   6           HE       ARG   6  12.900 -13.137  -7.102
   52   HH11  ARG   6          1HH1      ARG   6  10.272 -14.307  -9.062
   53   HH12  ARG   6          2HH1      ARG   6  11.268 -15.378  -9.990
   54   HH21  ARG   6          1HH2      ARG   6  14.223 -14.544  -8.317
   55   HH22  ARG   6          2HH2      ARG   6  13.515 -15.513  -9.565
   56    H    LYS   7           H        LYS   7   6.854 -12.712  -6.827
   57    HA   LYS   7           HA       LYS   7   4.882 -11.641  -4.922
   58    HB2  LYS   7           2HB      LYS   7   3.297 -13.131  -6.351
   59    HB3  LYS   7           3HB      LYS   7   3.829 -11.581  -6.988
   60    HG2  LYS   7           2HG      LYS   7   3.943 -13.248  -8.716
   61    HG3  LYS   7           3HG      LYS   7   5.577 -12.741  -8.280
   62    HD2  LYS   7           2HD      LYS   7   6.103 -14.758  -7.359
   63    HD3  LYS   7           3HD      LYS   7   4.445 -15.079  -6.846
   64    HE2  LYS   7           2HE      LYS   7   3.848 -15.969  -8.866
   65    HE3  LYS   7           3HE      LYS   7   5.019 -15.002  -9.761
   66    HZ1  LYS   7           3HZ      LYS   7   6.579 -16.585  -8.216
   67    HZ2  LYS   7           1HZ      LYS   7   6.201 -16.873  -9.840
   68    HZ3  LYS   7           2HZ      LYS   7   5.303 -17.621  -8.617
   69    HA   PRO   8           HA       PRO   8   5.006 -15.275  -2.465
   70    HB2  PRO   8           2HB      PRO   8   2.397 -15.584  -1.782
   71    HB3  PRO   8           3HB      PRO   8   3.416 -14.299  -1.124
   72    HG2  PRO   8           2HG      PRO   8   1.420 -14.181  -3.352
   73    HG3  PRO   8           3HG      PRO   8   1.696 -13.026  -2.035
   74    HD2  PRO   8           2HD      PRO   8   2.652 -12.636  -4.538
   75    HD3  PRO   8           3HD      PRO   8   3.504 -12.062  -3.090
   76    H    LYS   9           H        LYS   9   5.163 -17.378  -2.919
   77    HA   LYS   9           HA       LYS   9   3.088 -18.814  -4.291
   78    HB2  LYS   9           2HB      LYS   9   4.456 -19.555  -6.182
   79    HB3  LYS   9           3HB      LYS   9   4.234 -17.811  -6.207
   80    HG2  LYS   9           2HG      LYS   9   6.450 -17.865  -6.636
   81    HG3  LYS   9           3HG      LYS   9   6.537 -17.903  -4.873
   82    HD2  LYS   9           2HD      LYS   9   7.193 -20.082  -4.817
   83    HD3  LYS   9           3HD      LYS   9   6.287 -20.506  -6.271
   84    HE2  LYS   9           2HE      LYS   9   8.715 -18.746  -6.391
   85    HE3  LYS   9           3HE      LYS   9   8.853 -20.503  -6.395
   86    HZ1  LYS   9           3HZ      LYS   9   7.505 -20.594  -8.374
   87    HZ2  LYS   9           1HZ      LYS   9   8.818 -19.560  -8.638
   88    HZ3  LYS   9           2HZ      LYS   9   7.280 -18.917  -8.352
   89    H    PHE  10           H        PHE  10   3.195 -20.998  -3.927
   90    HA   PHE  10           HA       PHE  10   3.736 -22.884  -2.768
   91    HB2  PHE  10           2HB      PHE  10   5.572 -22.645  -4.608
   92    HB3  PHE  10           3HB      PHE  10   6.632 -22.267  -3.254
   93    HD1  PHE  10           HD1      PHE  10   4.275 -24.842  -4.514
   94    HD2  PHE  10           HD2      PHE  10   7.597 -23.969  -2.001
   95    HE1  PHE  10           HE1      PHE  10   4.580 -27.246  -4.089
   96    HE2  PHE  10           HE2      PHE  10   7.909 -26.372  -1.573
   97    HZ   PHE  10           HZ       PHE  10   6.400 -28.014  -2.618
   98    H    ARG  11           H        ARG  11   3.070 -21.368  -0.893
   99    HA   ARG  11           HA       ARG  11   5.258 -21.388   1.076
  100    HB2  ARG  11           2HB      ARG  11   4.383 -19.352   2.075
  101    HB3  ARG  11           3HB      ARG  11   4.758 -19.077   0.379
  102    HG2  ARG  11           2HG      ARG  11   1.981 -19.811   1.198
  103    HG3  ARG  11           3HG      ARG  11   2.556 -18.151   1.372
  104    HD2  ARG  11           2HD      ARG  11   3.343 -18.573  -1.129
  105    HD3  ARG  11           3HD      ARG  11   2.020 -19.737  -1.080
  106    HE   ARG  11           HE       ARG  11   1.326 -17.110  -0.120
  107   HH11  ARG  11          1HH1      ARG  11   1.551 -19.201  -2.894
  108   HH12  ARG  11          2HH1      ARG  11   0.381 -18.318  -3.818
  109   HH21  ARG  11          1HH2      ARG  11  -0.215 -15.939  -1.326
  110   HH22  ARG  11          2HH2      ARG  11  -0.622 -16.462  -2.925
  111    H    LYS  12           H        LYS  12   4.731 -22.008   3.160
  112    HA   LYS  12           HA       LYS  12   2.190 -23.436   3.403
  113    HB2  LYS  12           2HB      LYS  12   3.223 -24.554   5.323
  114    HB3  LYS  12           3HB      LYS  12   4.232 -24.693   3.888
  115    HG2  LYS  12           2HG      LYS  12   5.304 -22.489   4.959
  116    HG3  LYS  12           3HG      LYS  12   4.727 -23.277   6.429
  117    HD2  LYS  12           2HD      LYS  12   6.867 -24.139   6.205
  118    HD3  LYS  12           3HD      LYS  12   5.874 -25.387   5.448
  119    HE2  LYS  12           2HE      LYS  12   6.390 -24.505   3.251
  120    HE3  LYS  12           3HE      LYS  12   7.297 -23.174   3.970
  121    HZ1  LYS  12           3HZ      LYS  12   8.127 -25.858   3.438
  122    HZ2  LYS  12           1HZ      LYS  12   8.431 -25.409   5.041
  123    HZ3  LYS  12           2HZ      LYS  12   9.062 -24.488   3.770
  124    H    PHE  13           H        PHE  13   4.096 -20.927   4.990
  125    HA   PHE  13           HA       PHE  13   1.802 -20.356   6.742
  126    HB2  PHE  13           2HB      PHE  13   4.749 -19.797   7.068
  127    HB3  PHE  13           3HB      PHE  13   3.524 -19.042   8.083
  128    HD1  PHE  13           HD2      PHE  13   1.649 -21.198   8.581
  129    HD2  PHE  13           HD1      PHE  13   5.901 -21.283   8.399
  130    HE1  PHE  13           HE2      PHE  13   1.670 -23.160  10.064
  131    HE2  PHE  13           HE1      PHE  13   5.928 -23.246   9.881
  132    HZ   PHE  13           HZ       PHE  13   3.811 -24.187  10.717
  133    H    LYS  14           H        LYS  14   0.775 -18.451   6.600
  134    HA   LYS  14           HA       LYS  14   1.572 -16.636   4.471
  135    HB2  LYS  14           2HB      LYS  14  -0.901 -16.886   6.174
  136    HB3  LYS  14           3HB      LYS  14  -0.640 -15.511   5.109
  137    HG2  LYS  14           2HG      LYS  14  -0.629 -18.368   4.171
  138    HG3  LYS  14           3HG      LYS  14  -2.058 -17.333   4.160
  139    HD2  LYS  14           2HD      LYS  14   0.398 -16.256   2.899
  140    HD3  LYS  14           3HD      LYS  14  -0.426 -17.571   2.057
  141    HE2  LYS  14           2HE      LYS  14  -2.039 -15.279   3.067
  142    HE3  LYS  14           3HE      LYS  14  -1.059 -15.050   1.619
  143    HZ1  LYS  14           3HZ      LYS  14  -2.256 -16.644   0.461
  144    HZ2  LYS  14           1HZ      LYS  14  -3.457 -15.844   1.343
  145    HZ3  LYS  14           2HZ      LYS  14  -2.891 -17.351   1.861
  146    H    LEU  15           H        LEU  15   2.392 -14.643   4.750
  147    HA   LEU  15           HA       LEU  15   3.456 -12.915   5.785
  148    HB2  LEU  15           2HB      LEU  15   0.914 -13.245   7.308
  149    HB3  LEU  15           3HB      LEU  15   2.112 -12.085   7.878
  150    HG   LEU  15           HG       LEU  15   0.316 -11.077   6.498
  151   HD11  LEU  15          1HD1      LEU  15   2.000 -10.017   4.814
  152   HD12  LEU  15          2HD1      LEU  15   3.195 -10.936   5.728
  153   HD13  LEU  15          3HD1      LEU  15   2.188  -9.742   6.546
  154   HD21  LEU  15          3HD2      LEU  15   1.553 -12.713   4.286
  155   HD22  LEU  15          1HD2      LEU  15   0.329 -11.460   4.082
  156   HD23  LEU  15          2HD2      LEU  15  -0.059 -12.935   4.968
  157    H    TYR  16           H        TYR  16   4.404 -15.491   6.489
  158    HA   TYR  16           HA       TYR  16   4.729 -15.954   9.212
  159    HB2  TYR  16           2HB      TYR  16   6.937 -17.060   8.440
  160    HB3  TYR  16           3HB      TYR  16   5.420 -17.699   7.818
  161    HD1  TYR  16           HD2      TYR  16   7.697 -14.885   6.857
  162    HD2  TYR  16           HD1      TYR  16   5.581 -18.364   5.622
  163    HE1  TYR  16           HE2      TYR  16   8.508 -14.555   4.559
  164    HE2  TYR  16           HE1      TYR  16   6.388 -18.044   3.321
  165    HH   TYR  16           HH       TYR  16   7.214 -15.860   1.947
  166    H    HIS  17           H        HIS  17   7.183 -15.946  10.089
  167    HA   HIS  17           HA       HIS  17   7.814 -13.128  10.370
  168    HB2  HIS  17           2HB      HIS  17   7.695 -14.562  12.369
  169    HB3  HIS  17           3HB      HIS  17   9.013 -15.546  11.739
  170    HD1  HIS  17           HD1      HIS  17   9.149 -11.816  11.482
  171    HD2  HIS  17           HD2      HIS  17  10.711 -14.854  13.846
  172    HE1  HIS  17           HE1      HIS  17  10.955 -10.735  12.858
  173    H    GLU  18           H        GLU  18   8.495 -13.150   8.018
  174    HA   GLU  18           HA       GLU  18  11.386 -13.365   7.929
  175    HB2  GLU  18           2HB      GLU  18   9.867 -15.455   6.903
  176    HB3  GLU  18           3HB      GLU  18  10.268 -14.490   5.490
  177    HG2  GLU  18           2HG      GLU  18  12.537 -14.838   5.727
  178    HG3  GLU  18           3HG      GLU  18  12.401 -15.235   7.439
  179    H    GLY  19           H        GLY  19  11.515 -11.162   7.669
  180    HA2  GLY  19           2HA      GLY  19  11.571  -9.178   6.516
  181    HA3  GLY  19           3HA      GLY  19  11.324 -10.131   5.060
  182    H    LYS  20           H        LYS  20   9.933  -7.960   7.284
  183    HA   LYS  20           HA       LYS  20   7.191  -8.478   6.845
  184    HB2  LYS  20           2HB      LYS  20   8.804  -6.281   7.994
  185    HB3  LYS  20           3HB      LYS  20   7.213  -5.828   7.399
  186    HG2  LYS  20           2HG      LYS  20   6.640  -6.363   9.518
  187    HG3  LYS  20           3HG      LYS  20   6.510  -7.972   8.805
  188    HD2  LYS  20           2HD      LYS  20   7.790  -8.410  10.669
  189    HD3  LYS  20           3HD      LYS  20   9.041  -8.137   9.453
  190    HE2  LYS  20           2HE      LYS  20   9.679  -6.921  11.391
  191    HE3  LYS  20           3HE      LYS  20   9.109  -5.743  10.209
  192    HZ1  LYS  20           3HZ      LYS  20   7.117  -6.773  12.060
  193    HZ2  LYS  20           1HZ      LYS  20   7.336  -5.204  11.466
  194    HZ3  LYS  20           2HZ      LYS  20   8.304  -5.772  12.731
  195    H    PHE  21           H        PHE  21   6.814  -8.769   4.650
  196    HA   PHE  21           HA       PHE  21   6.073  -6.508   3.177
  197    HB2  PHE  21           2HB      PHE  21   8.764  -6.706   3.071
  198    HB3  PHE  21           3HB      PHE  21   8.334  -7.736   1.709
  199    HD1  PHE  21           HD2      PHE  21   6.806  -6.763  -0.079
  200    HD2  PHE  21           HD1      PHE  21   8.779  -4.391   2.854
  201    HE1  PHE  21           HE2      PHE  21   6.502  -4.770  -1.490
  202    HE2  PHE  21           HE1      PHE  21   8.477  -2.395   1.448
  203    HZ   PHE  21           HZ       PHE  21   7.338  -2.583  -0.727
  204    H    TRP  22           H        TRP  22   4.284  -7.423   2.401
  205    HA   TRP  22           HA       TRP  22   4.577  -9.840   0.758
  206    HB2  TRP  22           2HB      TRP  22   2.720  -9.395   3.058
  207    HB3  TRP  22           3HB      TRP  22   2.161 -10.358   1.693
  208    HD1  TRP  22           HD1      TRP  22   5.212 -10.321   4.101
  209    HE1  TRP  22           HE1      TRP  22   5.876 -12.764   4.564
  210    HE3  TRP  22           HE3      TRP  22   1.832 -12.671   1.069
  211    HZ2  TRP  22           HZ2      TRP  22   5.074 -15.346   3.752
  212    HZ3  TRP  22           HZ3      TRP  22   1.847 -15.129   0.969
  213    HH2  TRP  22           HH2      TRP  22   3.436 -16.437   2.283
  214    H    CYS  23           H        CYS  23   4.578  -8.256  -0.975
  215    HA   CYS  23           HA       CYS  23   2.071  -7.995  -2.211
  216    HB2  CYS  23           2HB      CYS  23   1.765  -6.232  -0.485
  217    HB3  CYS  23           3HB      CYS  23   3.170  -5.391  -1.133
  218    HA   PRO  24           HA       PRO  24   5.511  -7.822  -5.156
  219    HB2  PRO  24           2HB      PRO  24   4.103  -8.951  -7.184
  220    HB3  PRO  24           3HB      PRO  24   4.865  -9.897  -5.900
  221    HG2  PRO  24           2HG      PRO  24   2.008  -9.049  -6.187
  222    HG3  PRO  24           3HG      PRO  24   2.664 -10.618  -5.683
  223    HD2  PRO  24           2HD      PRO  24   1.728  -8.793  -3.915
  224    HD3  PRO  24           3HD      PRO  24   3.061  -9.901  -3.529
  Start of MODEL    9
    1    H1   THR   1           H        THR   1   0.441   1.355  -2.671
    2    HA   THR   1           HA       THR   1   2.677   0.937  -2.119
    3    HB   THR   1           HB       THR   1   1.469   1.386  -0.033
    4    HG1  THR   1           HG1      THR   1   3.754   0.766  -0.038
    5   HG21  THR   1          3HG2      THR   1  -0.079  -0.097   0.605
    6   HG22  THR   1          1HG2      THR   1   1.253  -1.073   1.222
    7   HG23  THR   1          2HG2      THR   1   0.618  -1.370  -0.396
    8    H    CYS   2           H        CYS   2   2.034  -0.998  -3.982
    9    HA   CYS   2           HA       CYS   2   3.270  -3.419  -2.842
   10    HB2  CYS   2           2HB      CYS   2   1.498  -3.333  -5.286
   11    HB3  CYS   2           3HB      CYS   2   2.064  -4.757  -4.420
   12    H    HIS   3           H        HIS   3   5.204  -1.931  -3.367
   13    HA   HIS   3           HA       HIS   3   5.968  -2.136  -6.191
   14    HB2  HIS   3           2HB      HIS   3   6.863  -0.417  -3.910
   15    HB3  HIS   3           3HB      HIS   3   7.968  -0.707  -5.251
   16    HD1  HIS   3           HD1      HIS   3   6.891  -0.063  -7.695
   17    HD2  HIS   3           HD2      HIS   3   5.153   1.642  -4.329
   18    HE1  HIS   3           HE1      HIS   3   5.584   1.912  -8.540
   19    H    ILE   4           H        ILE   4   6.513  -4.316  -6.297
   20    HA   ILE   4           HA       ILE   4   9.170  -4.977  -5.660
   21    HB   ILE   4           HB       ILE   4   8.296  -5.167  -3.367
   22   HG12  ILE   4          2HG1      ILE   4   9.098  -7.470  -2.927
   23   HG13  ILE   4          3HG1      ILE   4   9.015  -7.812  -4.652
   24   HG21  ILE   4          1HG2      ILE   4   6.451  -6.324  -2.778
   25   HG22  ILE   4          2HG2      ILE   4   6.009  -6.062  -4.464
   26   HG23  ILE   4          3HG2      ILE   4   6.734  -7.592  -3.970
   27   HD11  ILE   4          3HD1      ILE   4  11.274  -7.166  -3.542
   28   HD12  ILE   4          1HD1      ILE   4  10.852  -6.525  -5.129
   29   HD13  ILE   4          2HD1      ILE   4  10.658  -5.521  -3.692
   30    H    ARG   5           H        ARG   5   9.844  -6.755  -6.782
   31    HA   ARG   5           HA       ARG   5   7.986  -7.857  -8.688
   32    HB2  ARG   5           2HB      ARG   5   9.961  -9.021  -9.595
   33    HB3  ARG   5           3HB      ARG   5  10.237  -7.294  -9.408
   34    HG2  ARG   5           2HG      ARG   5  11.434  -7.752  -7.295
   35    HG3  ARG   5           3HG      ARG   5  11.228  -9.479  -7.590
   36    HD2  ARG   5           2HD      ARG   5  12.343  -8.955  -9.876
   37    HD3  ARG   5           3HD      ARG   5  12.900  -7.489  -9.070
   38    HE   ARG   5           HE       ARG   5  13.896 -10.135  -8.694
   39   HH11  ARG   5          1HH1      ARG   5  13.354  -7.089  -7.097
   40   HH12  ARG   5          2HH1      ARG   5  14.617  -7.325  -5.935
   41   HH21  ARG   5          1HH2      ARG   5  15.562 -10.457  -7.169
   42   HH22  ARG   5          2HH2      ARG   5  15.873  -9.241  -5.977
   43    H    ARG   6           H        ARG   6   9.838  -9.038  -5.917
   44    HA   ARG   6           HA       ARG   6   9.334 -11.755  -6.132
   45    HB2  ARG   6           2HB      ARG   6  10.879 -10.769  -4.490
   46    HB3  ARG   6           3HB      ARG   6   9.513 -10.110  -3.601
   47    HG2  ARG   6           2HG      ARG   6   9.847 -11.976  -2.371
   48    HG3  ARG   6           3HG      ARG   6   8.784 -12.665  -3.599
   49    HD2  ARG   6           2HD      ARG   6  10.975 -13.157  -4.880
   50    HD3  ARG   6           3HD      ARG   6  11.757 -12.906  -3.320
   51    HE   ARG   6           HE       ARG   6   9.586 -14.743  -3.137
   52   HH11  ARG   6          1HH1      ARG   6  12.918 -14.436  -4.097
   53   HH12  ARG   6          2HH1      ARG   6  13.284 -16.109  -3.832
   54   HH21  ARG   6          1HH2      ARG   6  10.056 -16.947  -2.785
   55   HH22  ARG   6          2HH2      ARG   6  11.655 -17.536  -3.087
   56    H    LYS   7           H        LYS   7   7.349 -12.494  -6.624
   57    HA   LYS   7           HA       LYS   7   5.080 -11.584  -4.985
   58    HB2  LYS   7           2HB      LYS   7   3.641 -12.420  -6.791
   59    HB3  LYS   7           3HB      LYS   7   4.784 -11.221  -7.381
   60    HG2  LYS   7           2HG      LYS   7   4.948 -12.787  -9.028
   61    HG3  LYS   7           3HG      LYS   7   6.225 -13.345  -7.944
   62    HD2  LYS   7           2HD      LYS   7   5.039 -15.178  -7.269
   63    HD3  LYS   7           3HD      LYS   7   3.477 -14.391  -7.509
   64    HE2  LYS   7           2HE      LYS   7   3.705 -16.105  -9.161
   65    HE3  LYS   7           3HE      LYS   7   3.859 -14.545  -9.968
   66    HZ1  LYS   7           3HZ      LYS   7   5.952 -14.980 -10.565
   67    HZ2  LYS   7           1HZ      LYS   7   5.583 -16.598 -10.233
   68    HZ3  LYS   7           2HZ      LYS   7   6.362 -15.652  -9.068
   69    HA   PRO   8           HA       PRO   8   4.685 -15.514  -3.068
   70    HB2  PRO   8           2HB      PRO   8   1.993 -15.681  -2.764
   71    HB3  PRO   8           3HB      PRO   8   3.003 -14.594  -1.803
   72    HG2  PRO   8           2HG      PRO   8   1.338 -13.993  -4.217
   73    HG3  PRO   8           3HG      PRO   8   1.515 -13.060  -2.719
   74    HD2  PRO   8           2HD      PRO   8   2.824 -12.416  -5.000
   75    HD3  PRO   8           3HD      PRO   8   3.512 -12.125  -3.389
   76    H    LYS   9           H        LYS   9   4.518 -17.618  -3.637
   77    HA   LYS   9           HA       LYS   9   2.899 -18.308  -5.992
   78    HB2  LYS   9           2HB      LYS   9   5.403 -18.039  -6.473
   79    HB3  LYS   9           3HB      LYS   9   5.626 -19.493  -5.509
   80    HG2  LYS   9           2HG      LYS   9   3.675 -19.525  -7.761
   81    HG3  LYS   9           3HG      LYS   9   5.403 -19.639  -8.103
   82    HD2  LYS   9           2HD      LYS   9   5.296 -21.471  -6.200
   83    HD3  LYS   9           3HD      LYS   9   3.606 -21.555  -6.702
   84    HE2  LYS   9           2HE      LYS   9   4.757 -23.176  -7.981
   85    HE3  LYS   9           3HE      LYS   9   4.451 -21.820  -9.066
   86    HZ1  LYS   9           3HZ      LYS   9   6.826 -22.975  -8.804
   87    HZ2  LYS   9           1HZ      LYS   9   6.979 -21.761  -7.635
   88    HZ3  LYS   9           2HZ      LYS   9   6.632 -21.352  -9.239
   89    H    PHE  10           H        PHE  10   5.057 -20.014  -3.721
   90    HA   PHE  10           HA       PHE  10   2.790 -21.522  -2.688
   91    HB2  PHE  10           2HB      PHE  10   3.514 -22.861  -4.598
   92    HB3  PHE  10           3HB      PHE  10   5.170 -22.850  -4.001
   93    HD1  PHE  10           HD2      PHE  10   1.946 -23.439  -2.235
   94    HD2  PHE  10           HD1      PHE  10   5.703 -25.024  -3.453
   95    HE1  PHE  10           HE2      PHE  10   1.492 -25.489  -0.953
   96    HE2  PHE  10           HE1      PHE  10   5.255 -27.078  -2.174
   97    HZ   PHE  10           HZ       PHE  10   3.148 -27.312  -0.921
   98    H    ARG  11           H        ARG  11   3.022 -21.014  -0.596
   99    HA   ARG  11           HA       ARG  11   5.466 -21.856   0.749
  100    HB2  ARG  11           2HB      ARG  11   5.436 -19.697   2.091
  101    HB3  ARG  11           3HB      ARG  11   6.011 -19.578   0.434
  102    HG2  ARG  11           2HG      ARG  11   3.135 -19.061   0.975
  103    HG3  ARG  11           3HG      ARG  11   4.320 -17.833   1.426
  104    HD2  ARG  11           2HD      ARG  11   4.982 -18.732  -1.171
  105    HD3  ARG  11           3HD      ARG  11   3.244 -18.435  -1.148
  106    HE   ARG  11           HE       ARG  11   3.652 -16.182  -0.882
  107   HH11  ARG  11          1HH1      ARG  11   6.606 -17.984  -0.494
  108   HH12  ARG  11          2HH1      ARG  11   7.620 -16.580  -0.530
  109   HH21  ARG  11          1HH2      ARG  11   4.977 -14.326  -0.931
  110   HH22  ARG  11          2HH2      ARG  11   6.693 -14.500  -0.778
  111    H    LYS  12           H        LYS  12   4.919 -23.067   2.428
  112    HA   LYS  12           HA       LYS  12   2.350 -23.594   3.273
  113    HB2  LYS  12           2HB      LYS  12   5.050 -23.989   4.464
  114    HB3  LYS  12           3HB      LYS  12   3.658 -24.210   5.515
  115    HG2  LYS  12           2HG      LYS  12   4.005 -26.340   4.727
  116    HG3  LYS  12           3HG      LYS  12   2.785 -25.736   3.604
  117    HD2  LYS  12           2HD      LYS  12   4.407 -25.346   1.916
  118    HD3  LYS  12           3HD      LYS  12   5.740 -25.587   3.047
  119    HE2  LYS  12           2HE      LYS  12   5.096 -27.939   3.291
  120    HE3  LYS  12           3HE      LYS  12   3.774 -27.693   2.151
  121    HZ1  LYS  12           3HZ      LYS  12   5.441 -27.085   0.469
  122    HZ2  LYS  12           1HZ      LYS  12   5.640 -28.669   1.028
  123    HZ3  LYS  12           2HZ      LYS  12   6.675 -27.445   1.568
  124    H    PHE  13           H        PHE  13   4.724 -21.591   5.035
  125    HA   PHE  13           HA       PHE  13   2.575 -20.439   6.622
  126    HB2  PHE  13           2HB      PHE  13   5.561 -19.960   6.740
  127    HB3  PHE  13           3HB      PHE  13   4.377 -19.368   7.901
  128    HD1  PHE  13           HD1      PHE  13   2.756 -21.413   8.733
  129    HD2  PHE  13           HD2      PHE  13   6.807 -21.729   7.466
  130    HE1  PHE  13           HE1      PHE  13   3.000 -23.485  10.039
  131    HE2  PHE  13           HE2      PHE  13   7.057 -23.801   8.769
  132    HZ   PHE  13           HZ       PHE  13   5.152 -24.682  10.057
  133    H    LYS  14           H        LYS  14   1.613 -18.584   6.145
  134    HA   LYS  14           HA       LYS  14   2.835 -16.851   4.113
  135    HB2  LYS  14           2HB      LYS  14   0.046 -17.525   4.864
  136    HB3  LYS  14           3HB      LYS  14   0.338 -15.868   4.350
  137    HG2  LYS  14           2HG      LYS  14   1.266 -18.206   2.719
  138    HG3  LYS  14           3HG      LYS  14  -0.371 -17.559   2.578
  139    HD2  LYS  14           2HD      LYS  14   1.040 -15.279   2.388
  140    HD3  LYS  14           3HD      LYS  14   2.211 -16.412   1.709
  141    HE2  LYS  14           2HE      LYS  14   0.987 -16.757  -0.149
  142    HE3  LYS  14           3HE      LYS  14  -0.540 -16.737   0.731
  143    HZ1  LYS  14           3HZ      LYS  14   0.923 -14.529  -0.503
  144    HZ2  LYS  14           1HZ      LYS  14   0.065 -14.196   0.916
  145    HZ3  LYS  14           2HZ      LYS  14  -0.742 -14.817  -0.434
  146    H    LEU  15           H        LEU  15   2.971 -14.612   4.418
  147    HA   LEU  15           HA       LEU  15   3.494 -12.740   5.603
  148    HB2  LEU  15           2HB      LEU  15   0.989 -13.734   6.876
  149    HB3  LEU  15           3HB      LEU  15   1.833 -12.367   7.600
  150    HG   LEU  15           HG       LEU  15  -0.017 -11.686   6.122
  151   HD11  LEU  15          1HD1      LEU  15   1.825 -10.449   4.477
  152   HD12  LEU  15          2HD1      LEU  15   2.745 -10.823   5.934
  153   HD13  LEU  15          3HD1      LEU  15   1.266  -9.870   6.046
  154   HD21  LEU  15          3HD2      LEU  15   1.541 -12.431   3.712
  155   HD22  LEU  15          1HD2      LEU  15  -0.201 -12.269   3.933
  156   HD23  LEU  15          2HD2      LEU  15   0.632 -13.708   4.521
  157    H    TYR  16           H        TYR  16   4.748 -15.292   6.384
  158    HA   TYR  16           HA       TYR  16   5.007 -15.633   9.121
  159    HB2  TYR  16           2HB      TYR  16   7.391 -16.429   8.487
  160    HB3  TYR  16           3HB      TYR  16   6.010 -17.293   7.821
  161    HD1  TYR  16           HD1      TYR  16   7.910 -14.209   6.870
  162    HD2  TYR  16           HD2      TYR  16   6.362 -17.982   5.656
  163    HE1  TYR  16           HE1      TYR  16   8.774 -13.826   4.600
  164    HE2  TYR  16           HE2      TYR  16   7.223 -17.610   3.382
  165    HH   TYR  16           HH       TYR  16   9.463 -15.715   2.550
  166    H    HIS  17           H        HIS  17   7.254 -15.232  10.243
  167    HA   HIS  17           HA       HIS  17   7.514 -12.364  10.447
  168    HB2  HIS  17           2HB      HIS  17   8.410 -14.718  12.022
  169    HB3  HIS  17           3HB      HIS  17   9.385 -13.257  12.152
  170    HD1  HIS  17           HD1      HIS  17   5.694 -12.943  11.725
  171    HD2  HIS  17           HD2      HIS  17   8.500 -12.840  14.787
  172    HE1  HIS  17           HE1      HIS  17   4.475 -12.025  13.724
  173    H    GLU  18           H        GLU  18   8.328 -12.302   8.144
  174    HA   GLU  18           HA       GLU  18  11.222 -12.117   8.219
  175    HB2  GLU  18           2HB      GLU  18  10.107 -14.410   7.166
  176    HB3  GLU  18           3HB      GLU  18  10.347 -13.406   5.743
  177    HG2  GLU  18           2HG      GLU  18  12.731 -13.064   6.824
  178    HG3  GLU  18           3HG      GLU  18  12.342 -14.609   7.578
  179    H    GLY  19           H        GLY  19  10.997  -9.904   7.985
  180    HA2  GLY  19           2HA      GLY  19  10.922  -7.949   6.778
  181    HA3  GLY  19           3HA      GLY  19  10.783  -8.932   5.328
  182    H    LYS  20           H        LYS  20   9.353  -6.478   6.692
  183    HA   LYS  20           HA       LYS  20   6.595  -7.398   6.572
  184    HB2  LYS  20           2HB      LYS  20   7.985  -4.945   7.516
  185    HB3  LYS  20           3HB      LYS  20   6.326  -4.765   6.962
  186    HG2  LYS  20           2HG      LYS  20   6.312  -5.095   9.327
  187    HG3  LYS  20           3HG      LYS  20   5.654  -6.541   8.557
  188    HD2  LYS  20           2HD      LYS  20   7.145  -7.228  10.306
  189    HD3  LYS  20           3HD      LYS  20   7.906  -7.590   8.755
  190    HE2  LYS  20           2HE      LYS  20   9.502  -6.616  10.330
  191    HE3  LYS  20           3HE      LYS  20   9.256  -5.570   8.933
  192    HZ1  LYS  20           3HZ      LYS  20   9.272  -4.493  11.220
  193    HZ2  LYS  20           1HZ      LYS  20   7.741  -5.179  11.440
  194    HZ3  LYS  20           2HZ      LYS  20   8.001  -4.077  10.184
  195    H    PHE  21           H        PHE  21   6.278  -7.875   4.403
  196    HA   PHE  21           HA       PHE  21   5.375  -5.813   2.754
  197    HB2  PHE  21           2HB      PHE  21   8.112  -5.831   2.719
  198    HB3  PHE  21           3HB      PHE  21   7.732  -6.865   1.345
  199    HD1  PHE  21           HD2      PHE  21   5.350  -5.674   0.225
  200    HD2  PHE  21           HD1      PHE  21   8.787  -3.795   1.889
  201    HE1  PHE  21           HE2      PHE  21   4.925  -3.682  -1.154
  202    HE2  PHE  21           HE1      PHE  21   8.367  -1.799   0.513
  203    HZ   PHE  21           HZ       PHE  21   6.434  -1.741  -1.012
  204    H    TRP  22           H        TRP  22   3.712  -6.956   2.001
  205    HA   TRP  22           HA       TRP  22   4.293  -9.408   0.501
  206    HB2  TRP  22           2HB      TRP  22   2.354  -9.085   2.764
  207    HB3  TRP  22           3HB      TRP  22   1.996 -10.221   1.465
  208    HD1  TRP  22           HD1      TRP  22   4.612  -9.596   4.227
  209    HE1  TRP  22           HE1      TRP  22   5.760 -11.835   4.770
  210    HE3  TRP  22           HE3      TRP  22   2.492 -12.498   0.591
  211    HZ2  TRP  22           HZ2      TRP  22   5.765 -14.481   3.787
  212    HZ3  TRP  22           HZ3      TRP  22   3.122 -14.873   0.461
  213    HH2  TRP  22           HH2      TRP  22   4.726 -15.842   2.026
  214    H    CYS  23           H        CYS  23   4.094  -7.914  -1.300
  215    HA   CYS  23           HA       CYS  23   1.586  -8.034  -2.543
  216    HB2  CYS  23           2HB      CYS  23   1.344  -6.146  -0.727
  217    HB3  CYS  23           3HB      CYS  23   2.218  -5.178  -1.909
  218    HA   PRO  24           HA       PRO  24   4.989  -7.478  -5.485
  219    HB2  PRO  24           2HB      PRO  24   3.767  -8.861  -7.476
  220    HB3  PRO  24           3HB      PRO  24   4.646  -9.647  -6.159
  221    HG2  PRO  24           2HG      PRO  24   1.700  -9.220  -6.482
  222    HG3  PRO  24           3HG      PRO  24   2.567 -10.662  -5.922
  223    HD2  PRO  24           2HD      PRO  24   1.371  -8.930  -4.219
  224    HD3  PRO  24           3HD      PRO  24   2.843  -9.825  -3.793
  Start of MODEL   10
    1    H1   THR   1           H        THR   1  -0.125   0.156  -0.452
    2    HA   THR   1           HA       THR   1   1.134   0.812  -3.034
    3    HB   THR   1           HB       THR   1   2.638   2.305  -1.798
    4    HG1  THR   1           HG1      THR   1   2.812   1.777   0.257
    5   HG21  THR   1          3HG2      THR   1   0.047   2.802  -2.459
    6   HG22  THR   1          1HG2      THR   1   1.176   4.021  -1.869
    7   HG23  THR   1          2HG2      THR   1   0.055   3.243  -0.752
    8    H    CYS   2           H        CYS   2   2.549  -0.652  -3.701
    9    HA   CYS   2           HA       CYS   2   4.604  -1.634  -1.941
   10    HB2  CYS   2           2HB      CYS   2   4.125  -4.015  -2.280
   11    HB3  CYS   2           3HB      CYS   2   2.800  -3.217  -1.438
   12    H    HIS   3           H        HIS   3   6.393  -2.410  -3.041
   13    HA   HIS   3           HA       HIS   3   6.220  -2.565  -5.965
   14    HB2  HIS   3           2HB      HIS   3   7.028  -0.273  -5.084
   15    HB3  HIS   3           3HB      HIS   3   8.506  -1.122  -4.643
   16    HD1  HIS   3           HD1      HIS   3   6.417  -1.300  -7.823
   17    HD2  HIS   3           HD2      HIS   3  10.290  -0.479  -6.565
   18    HE1  HIS   3           HE1      HIS   3   7.740  -0.919  -9.927
   19    H    ILE   4           H        ILE   4   6.470  -4.798  -5.849
   20    HA   ILE   4           HA       ILE   4   9.206  -5.669  -5.290
   21    HB   ILE   4           HB       ILE   4   6.767  -7.105  -4.235
   22   HG12  ILE   4          2HG1      ILE   4   7.421  -5.108  -2.924
   23   HG13  ILE   4          3HG1      ILE   4   7.657  -6.603  -2.026
   24   HG21  ILE   4          1HG2      ILE   4   9.635  -7.875  -4.490
   25   HG22  ILE   4          2HG2      ILE   4   8.707  -8.454  -3.107
   26   HG23  ILE   4          3HG2      ILE   4   8.181  -8.841  -4.745
   27   HD11  ILE   4          3HD1      ILE   4  10.050  -5.932  -3.446
   28   HD12  ILE   4          1HD1      ILE   4   9.510  -4.562  -2.476
   29   HD13  ILE   4          2HD1      ILE   4   9.791  -6.127  -1.713
   30    H    ARG   5           H        ARG   5   9.935  -7.327  -6.581
   31    HA   ARG   5           HA       ARG   5   8.272  -7.917  -8.903
   32    HB2  ARG   5           2HB      ARG   5  10.384  -8.847  -9.853
   33    HB3  ARG   5           3HB      ARG   5  10.495  -7.151  -9.402
   34    HG2  ARG   5           2HG      ARG   5  11.992  -7.542  -7.750
   35    HG3  ARG   5           3HG      ARG   5  11.321  -9.129  -7.367
   36    HD2  ARG   5           2HD      ARG   5  13.529  -9.380  -8.319
   37    HD3  ARG   5           3HD      ARG   5  12.321 -10.023  -9.431
   38    HE   ARG   5           HE       ARG   5  12.776  -7.380 -10.152
   39   HH11  ARG   5          1HH1      ARG   5  14.552 -10.370  -9.989
   40   HH12  ARG   5          2HH1      ARG   5  15.617  -9.960 -11.293
   41   HH21  ARG   5          1HH2      ARG   5  14.171  -6.829 -11.870
   42   HH22  ARG   5          2HH2      ARG   5  15.399  -7.945 -12.362
   43    H    ARG   6           H        ARG   6   9.570  -9.444  -6.079
   44    HA   ARG   6           HA       ARG   6   9.105 -12.131  -7.048
   45    HB2  ARG   6           2HB      ARG   6  10.292 -10.897  -4.634
   46    HB3  ARG   6           3HB      ARG   6   9.515 -12.456  -4.397
   47    HG2  ARG   6           2HG      ARG   6  11.789 -12.900  -4.820
   48    HG3  ARG   6           3HG      ARG   6  10.922 -13.319  -6.298
   49    HD2  ARG   6           2HD      ARG   6  12.948 -12.104  -6.836
   50    HD3  ARG   6           3HD      ARG   6  11.533 -11.139  -7.254
   51    HE   ARG   6           HE       ARG   6  12.142  -9.601  -5.660
   52   HH11  ARG   6          1HH1      ARG   6  14.010 -12.510  -5.251
   53   HH12  ARG   6          2HH1      ARG   6  15.092 -11.808  -4.094
   54   HH21  ARG   6          1HH2      ARG   6  13.559  -8.665  -4.138
   55   HH22  ARG   6          2HH2      ARG   6  14.834  -9.621  -3.462
   56    H    LYS   7           H        LYS   7   7.049 -12.744  -7.270
   57    HA   LYS   7           HA       LYS   7   5.085 -11.916  -5.253
   58    HB2  LYS   7           2HB      LYS   7   3.386 -12.611  -6.882
   59    HB3  LYS   7           3HB      LYS   7   4.491 -11.428  -7.572
   60    HG2  LYS   7           2HG      LYS   7   4.361 -12.924  -9.288
   61    HG3  LYS   7           3HG      LYS   7   5.753 -13.569  -8.414
   62    HD2  LYS   7           2HD      LYS   7   4.630 -15.415  -7.718
   63    HD3  LYS   7           3HD      LYS   7   3.091 -14.559  -7.583
   64    HE2  LYS   7           2HE      LYS   7   4.351 -15.190 -10.238
   65    HE3  LYS   7           3HE      LYS   7   3.291 -16.329  -9.409
   66    HZ1  LYS   7           3HZ      LYS   7   1.577 -15.253 -10.273
   67    HZ2  LYS   7           1HZ      LYS   7   2.592 -14.098 -10.979
   68    HZ3  LYS   7           2HZ      LYS   7   2.007 -13.864  -9.409
   69    HA   PRO   8           HA       PRO   8   4.792 -15.918  -3.473
   70    HB2  PRO   8           2HB      PRO   8   2.159 -16.009  -2.817
   71    HB3  PRO   8           3HB      PRO   8   3.330 -15.005  -1.954
   72    HG2  PRO   8           2HG      PRO   8   1.385 -14.232  -4.094
   73    HG3  PRO   8           3HG      PRO   8   1.795 -13.379  -2.595
   74    HD2  PRO   8           2HD      PRO   8   2.815 -12.669  -5.001
   75    HD3  PRO   8           3HD      PRO   8   3.721 -12.479  -3.486
   76    H    LYS   9           H        LYS   9   4.680 -17.908  -4.300
   77    HA   LYS   9           HA       LYS   9   2.606 -18.499  -6.301
   78    HB2  LYS   9           2HB      LYS   9   4.264 -19.856  -7.544
   79    HB3  LYS   9           3HB      LYS   9   4.668 -18.144  -7.517
   80    HG2  LYS   9           2HG      LYS   9   6.708 -18.880  -6.964
   81    HG3  LYS   9           3HG      LYS   9   6.023 -19.017  -5.344
   82    HD2  LYS   9           2HD      LYS   9   5.287 -21.390  -6.222
   83    HD3  LYS   9           3HD      LYS   9   6.627 -21.142  -7.344
   84    HE2  LYS   9           2HE      LYS   9   6.830 -20.932  -4.342
   85    HE3  LYS   9           3HE      LYS   9   7.278 -22.354  -5.282
   86    HZ1  LYS   9           3HZ      LYS   9   8.618 -19.754  -5.095
   87    HZ2  LYS   9           1HZ      LYS   9   8.740 -20.618  -6.545
   88    HZ3  LYS   9           2HZ      LYS   9   9.282 -21.310  -5.100
   89    H    PHE  10           H        PHE  10   4.879 -19.754  -3.910
   90    HA   PHE  10           HA       PHE  10   2.972 -21.717  -3.046
   91    HB2  PHE  10           2HB      PHE  10   4.256 -22.687  -5.094
   92    HB3  PHE  10           3HB      PHE  10   5.595 -22.855  -3.963
   93    HD1  PHE  10           HD2      PHE  10   4.980 -24.053  -1.702
   94    HD2  PHE  10           HD1      PHE  10   2.782 -24.431  -5.327
   95    HE1  PHE  10           HE2      PHE  10   4.039 -26.182  -0.906
   96    HE2  PHE  10           HE1      PHE  10   1.837 -26.560  -4.536
   97    HZ   PHE  10           HZ       PHE  10   2.466 -27.439  -2.324
   98    H    ARG  11           H        ARG  11   3.088 -21.375  -0.929
   99    HA   ARG  11           HA       ARG  11   5.651 -21.690   0.414
  100    HB2  ARG  11           2HB      ARG  11   5.266 -19.651   1.796
  101    HB3  ARG  11           3HB      ARG  11   5.596 -19.305   0.104
  102    HG2  ARG  11           2HG      ARG  11   2.755 -19.567   0.864
  103    HG3  ARG  11           3HG      ARG  11   3.618 -18.155   1.478
  104    HD2  ARG  11           2HD      ARG  11   4.264 -17.533  -0.771
  105    HD3  ARG  11           3HD      ARG  11   3.515 -18.993  -1.417
  106    HE   ARG  11           HE       ARG  11   2.188 -16.562  -0.620
  107   HH11  ARG  11          1HH1      ARG  11   1.844 -19.973  -1.226
  108   HH12  ARG  11          2HH1      ARG  11   0.141 -19.879  -1.532
  109   HH21  ARG  11          1HH2      ARG  11  -0.053 -16.426  -1.020
  110   HH22  ARG  11          2HH2      ARG  11  -0.937 -17.861  -1.415
  111    H    LYS  12           H        LYS  12   5.477 -22.658   2.370
  112    HA   LYS  12           HA       LYS  12   3.153 -24.024   3.069
  113    HB2  LYS  12           2HB      LYS  12   5.625 -23.323   4.643
  114    HB3  LYS  12           3HB      LYS  12   4.326 -24.289   5.331
  115    HG2  LYS  12           2HG      LYS  12   4.616 -25.911   3.482
  116    HG3  LYS  12           3HG      LYS  12   5.999 -24.969   2.922
  117    HD2  LYS  12           2HD      LYS  12   7.194 -25.396   4.954
  118    HD3  LYS  12           3HD      LYS  12   5.776 -26.147   5.689
  119    HE2  LYS  12           2HE      LYS  12   7.127 -27.944   5.025
  120    HE3  LYS  12           3HE      LYS  12   5.887 -27.830   3.776
  121    HZ1  LYS  12           3HZ      LYS  12   8.554 -26.566   3.511
  122    HZ2  LYS  12           1HZ      LYS  12   7.399 -26.816   2.300
  123    HZ3  LYS  12           2HZ      LYS  12   8.224 -28.133   2.966
  124    H    PHE  13           H        PHE  13   4.625 -21.587   5.201
  125    HA   PHE  13           HA       PHE  13   2.027 -20.972   6.313
  126    HB2  PHE  13           2HB      PHE  13   4.854 -20.262   6.978
  127    HB3  PHE  13           3HB      PHE  13   3.556 -19.251   7.607
  128    HD1  PHE  13           HD2      PHE  13   4.540 -22.837   7.358
  129    HD2  PHE  13           HD1      PHE  13   2.604 -19.800   9.626
  130    HE1  PHE  13           HE2      PHE  13   4.193 -24.436   9.196
  131    HE2  PHE  13           HE1      PHE  13   2.254 -21.393  11.468
  132    HZ   PHE  13           HZ       PHE  13   3.048 -23.715  11.254
  133    H    LYS  14           H        LYS  14   1.837 -18.440   6.845
  134    HA   LYS  14           HA       LYS  14   2.385 -16.894   4.417
  135    HB2  LYS  14           2HB      LYS  14  -0.316 -17.394   5.646
  136    HB3  LYS  14           3HB      LYS  14  -0.004 -15.957   4.680
  137    HG2  LYS  14           2HG      LYS  14   0.603 -18.684   3.608
  138    HG3  LYS  14           3HG      LYS  14  -1.033 -18.022   3.545
  139    HD2  LYS  14           2HD      LYS  14   1.276 -16.404   2.546
  140    HD3  LYS  14           3HD      LYS  14   0.585 -17.673   1.533
  141    HE2  LYS  14           2HE      LYS  14  -0.715 -15.934   0.855
  142    HE3  LYS  14           3HE      LYS  14  -1.675 -16.469   2.233
  143    HZ1  LYS  14           3HZ      LYS  14  -1.215 -14.613   3.373
  144    HZ2  LYS  14           1HZ      LYS  14  -0.825 -13.956   1.864
  145    HZ3  LYS  14           2HZ      LYS  14   0.398 -14.556   2.867
  146    H    LEU  15           H        LEU  15   2.676 -14.711   4.740
  147    HA   LEU  15           HA       LEU  15   3.352 -12.864   5.889
  148    HB2  LEU  15           2HB      LEU  15   0.848 -13.710   7.284
  149    HB3  LEU  15           3HB      LEU  15   1.773 -12.339   7.894
  150    HG   LEU  15           HG       LEU  15  -0.073 -11.599   6.494
  151   HD11  LEU  15          1HD1      LEU  15   1.770 -10.760   4.567
  152   HD12  LEU  15          2HD1      LEU  15   2.698 -10.984   6.050
  153   HD13  LEU  15          3HD1      LEU  15   1.296  -9.915   6.040
  154   HD21  LEU  15          3HD2      LEU  15   1.265 -13.137   4.271
  155   HD22  LEU  15          1HD2      LEU  15  -0.173 -12.125   4.133
  156   HD23  LEU  15          2HD2      LEU  15  -0.228 -13.611   5.082
  157    H    TYR  16           H        TYR  16   4.589 -15.380   6.629
  158    HA   TYR  16           HA       TYR  16   4.871 -15.750   9.373
  159    HB2  TYR  16           2HB      TYR  16   7.199 -16.641   8.703
  160    HB3  TYR  16           3HB      TYR  16   5.783 -17.437   8.027
  161    HD1  TYR  16           HD1      TYR  16   7.882 -14.465   7.141
  162    HD2  TYR  16           HD2      TYR  16   6.027 -18.062   5.829
  163    HE1  TYR  16           HE1      TYR  16   8.759 -14.083   4.875
  164    HE2  TYR  16           HE2      TYR  16   6.900 -17.691   3.559
  165    HH   TYR  16           HH       TYR  16   7.939 -14.886   2.426
  166    H    HIS  17           H        HIS  17   7.299 -15.466  10.302
  167    HA   HIS  17           HA       HIS  17   7.631 -12.580  10.491
  168    HB2  HIS  17           2HB      HIS  17   8.384 -14.922  12.157
  169    HB3  HIS  17           3HB      HIS  17   9.435 -13.511  12.245
  170    HD1  HIS  17           HD1      HIS  17   5.982 -14.675  13.093
  171    HD2  HIS  17           HD2      HIS  17   8.342 -11.284  13.530
  172    HE1  HIS  17           HE1      HIS  17   4.746 -13.200  14.711
  173    H    GLU  18           H        GLU  18   8.460 -12.656   8.192
  174    HA   GLU  18           HA       GLU  18  11.360 -12.629   8.284
  175    HB2  GLU  18           2HB      GLU  18  10.076 -14.881   7.273
  176    HB3  GLU  18           3HB      GLU  18  10.497 -13.951   5.842
  177    HG2  GLU  18           2HG      GLU  18  12.270 -15.475   6.301
  178    HG3  GLU  18           3HG      GLU  18  12.834 -13.844   6.660
  179    H    GLY  19           H        GLY  19  11.336 -10.440   7.917
  180    HA2  GLY  19           2HA      GLY  19  11.305  -8.513   6.671
  181    HA3  GLY  19           3HA      GLY  19  11.218  -9.549   5.253
  182    H    LYS  20           H        LYS  20   9.532  -7.403   7.292
  183    HA   LYS  20           HA       LYS  20   6.871  -8.157   6.726
  184    HB2  LYS  20           2HB      LYS  20   8.021  -6.340   8.382
  185    HB3  LYS  20           3HB      LYS  20   7.413  -5.280   7.117
  186    HG2  LYS  20           2HG      LYS  20   5.243  -5.669   7.639
  187    HG3  LYS  20           3HG      LYS  20   5.550  -7.325   8.168
  188    HD2  LYS  20           2HD      LYS  20   5.100  -6.308  10.179
  189    HD3  LYS  20           3HD      LYS  20   6.855  -6.129  10.107
  190    HE2  LYS  20           2HE      LYS  20   4.976  -4.016   9.087
  191    HE3  LYS  20           3HE      LYS  20   5.504  -4.074  10.768
  192    HZ1  LYS  20           3HZ      LYS  20   7.006  -2.648   9.754
  193    HZ2  LYS  20           1HZ      LYS  20   7.119  -3.582   8.348
  194    HZ3  LYS  20           2HZ      LYS  20   7.844  -4.118   9.778
  195    H    PHE  21           H        PHE  21   6.642  -8.571   4.532
  196    HA   PHE  21           HA       PHE  21   5.893  -6.382   2.915
  197    HB2  PHE  21           2HB      PHE  21   8.599  -6.660   2.900
  198    HB3  PHE  21           3HB      PHE  21   8.154  -7.704   1.554
  199    HD1  PHE  21           HD2      PHE  21   5.961  -6.388   0.279
  200    HD2  PHE  21           HD1      PHE  21   9.420  -4.683   2.079
  201    HE1  PHE  21           HE2      PHE  21   5.743  -4.417  -1.177
  202    HE2  PHE  21           HE1      PHE  21   9.207  -2.708   0.627
  203    HZ   PHE  21           HZ       PHE  21   7.368  -2.574  -1.005
  204    H    TRP  22           H        TRP  22   4.091  -7.383   2.250
  205    HA   TRP  22           HA       TRP  22   4.413  -9.848   0.688
  206    HB2  TRP  22           2HB      TRP  22   2.539  -9.362   2.977
  207    HB3  TRP  22           3HB      TRP  22   2.062 -10.446   1.673
  208    HD1  TRP  22           HD1      TRP  22   4.784 -10.090   4.387
  209    HE1  TRP  22           HE1      TRP  22   5.706 -12.435   4.911
  210    HE3  TRP  22           HE3      TRP  22   2.286 -12.762   0.814
  211    HZ2  TRP  22           HZ2      TRP  22   5.413 -15.069   3.939
  212    HZ3  TRP  22           HZ3      TRP  22   2.664 -15.189   0.678
  213    HH2  TRP  22           HH2      TRP  22   4.196 -16.317   2.208
  214    H    CYS  23           H        CYS  23   4.340  -8.319  -1.094
  215    HA   CYS  23           HA       CYS  23   1.824  -8.178  -2.311
  216    HB2  CYS  23           2HB      CYS  23   1.360  -6.421  -0.667
  217    HB3  CYS  23           3HB      CYS  23   2.794  -5.542  -1.187
  218    HA   PRO  24           HA       PRO  24   5.242  -7.878  -5.272
  219    HB2  PRO  24           2HB      PRO  24   3.889  -9.115  -7.274
  220    HB3  PRO  24           3HB      PRO  24   4.704  -9.997  -5.977
  221    HG2  PRO  24           2HG      PRO  24   1.805  -9.306  -6.267
  222    HG3  PRO  24           3HG      PRO  24   2.545 -10.829  -5.739
  223    HD2  PRO  24           2HD      PRO  24   1.519  -9.026  -3.998
  224    HD3  PRO  24           3HD      PRO  24   2.910 -10.054  -3.599
  Start of MODEL   11
    1    H1   THR   1           H        THR   1   1.381   2.613  -0.313
    2    HA   THR   1           HA       THR   1   0.983   1.290  -2.903
    3    HB   THR   1           HB       THR   1   2.054   3.479  -3.030
    4    HG1  THR   1           HG1      THR   1   3.600   2.809  -4.411
    5   HG21  THR   1          3HG2      THR   1   4.620   2.811  -1.912
    6   HG22  THR   1          1HG2      THR   1   3.363   2.659  -0.685
    7   HG23  THR   1          2HG2      THR   1   3.569   4.181  -1.552
    8    H    CYS   2           H        CYS   2   2.069  -0.545  -3.471
    9    HA   CYS   2           HA       CYS   2   4.020  -1.664  -1.599
   10    HB2  CYS   2           2HB      CYS   2   2.909  -3.850  -1.612
   11    HB3  CYS   2           3HB      CYS   2   1.854  -2.612  -0.937
   12    H    HIS   3           H        HIS   3   5.651  -2.739  -2.570
   13    HA   HIS   3           HA       HIS   3   5.352  -3.620  -5.338
   14    HB2  HIS   3           2HB      HIS   3   6.285  -1.216  -5.185
   15    HB3  HIS   3           3HB      HIS   3   7.750  -1.974  -4.569
   16    HD1  HIS   3           HD1      HIS   3   5.485  -2.363  -7.608
   17    HD2  HIS   3           HD2      HIS   3   9.492  -2.588  -6.536
   18    HE1  HIS   3           HE1      HIS   3   6.728  -2.816  -9.746
   19    H    ILE   4           H        ILE   4   7.283  -4.894  -6.063
   20    HA   ILE   4           HA       ILE   4   9.186  -5.883  -4.241
   21    HB   ILE   4           HB       ILE   4   7.120  -6.908  -3.249
   22   HG12  ILE   4          2HG1      ILE   4   8.116  -9.176  -3.046
   23   HG13  ILE   4          3HG1      ILE   4   9.215  -8.786  -4.365
   24   HG21  ILE   4          1HG2      ILE   4   6.168  -7.310  -5.626
   25   HG22  ILE   4          2HG2      ILE   4   7.104  -8.803  -5.561
   26   HG23  ILE   4          3HG2      ILE   4   5.851  -8.494  -4.359
   27   HD11  ILE   4          3HD1      ILE   4  10.133  -8.594  -2.023
   28   HD12  ILE   4          1HD1      ILE   4  10.360  -7.195  -3.072
   29   HD13  ILE   4          2HD1      ILE   4   9.100  -7.177  -1.837
   30    H    ARG   5           H        ARG   5  10.651  -7.292  -5.207
   31    HA   ARG   5           HA       ARG   5  11.030  -7.116  -7.930
   32    HB2  ARG   5           2HB      ARG   5  12.562  -9.098  -7.649
   33    HB3  ARG   5           3HB      ARG   5  12.860  -7.759  -6.549
   34    HG2  ARG   5           2HG      ARG   5  11.598  -8.963  -4.800
   35    HG3  ARG   5           3HG      ARG   5  11.425 -10.326  -5.908
   36    HD2  ARG   5           2HD      ARG   5  14.012  -9.178  -4.866
   37    HD3  ARG   5           3HD      ARG   5  13.272 -10.701  -4.374
   38    HE   ARG   5           HE       ARG   5  13.754 -10.583  -7.187
   39   HH11  ARG   5          1HH1      ARG   5  15.236 -11.198  -4.098
   40   HH12  ARG   5          2HH1      ARG   5  16.473 -12.222  -4.749
   41   HH21  ARG   5          1HH2      ARG   5  15.378 -11.929  -8.056
   42   HH22  ARG   5          2HH2      ARG   5  16.554 -12.636  -7.001
   43    H    ARG   6           H        ARG   6   9.380  -9.651  -6.099
   44    HA   ARG   6           HA       ARG   6   7.923 -10.430  -8.474
   45    HB2  ARG   6           2HB      ARG   6   8.525 -12.796  -8.334
   46    HB3  ARG   6           3HB      ARG   6   9.942 -11.806  -8.651
   47    HG2  ARG   6           2HG      ARG   6  10.799 -12.125  -6.515
   48    HG3  ARG   6           3HG      ARG   6   9.238 -12.623  -5.861
   49    HD2  ARG   6           2HD      ARG   6   9.374 -14.651  -7.326
   50    HD3  ARG   6           3HD      ARG   6  11.022 -14.172  -7.730
   51    HE   ARG   6           HE       ARG   6  10.750 -14.278  -4.936
   52   HH11  ARG   6          1HH1      ARG   6  10.849 -16.380  -7.709
   53   HH12  ARG   6          2HH1      ARG   6  11.495 -17.726  -6.829
   54   HH21  ARG   6          1HH2      ARG   6  11.601 -16.043  -3.766
   55   HH22  ARG   6          2HH2      ARG   6  11.921 -17.533  -4.587
   56    H    LYS   7           H        LYS   7   5.971 -11.394  -8.021
   57    HA   LYS   7           HA       LYS   7   4.834 -10.934  -5.497
   58    HB2  LYS   7           2HB      LYS   7   2.852 -11.788  -6.377
   59    HB3  LYS   7           3HB      LYS   7   3.698 -11.206  -7.805
   60    HG2  LYS   7           2HG      LYS   7   3.615 -14.066  -6.865
   61    HG3  LYS   7           3HG      LYS   7   2.659 -13.383  -8.182
   62    HD2  LYS   7           2HD      LYS   7   4.898 -12.709  -9.218
   63    HD3  LYS   7           3HD      LYS   7   5.631 -13.806  -8.046
   64    HE2  LYS   7           2HE      LYS   7   4.036 -15.574  -8.928
   65    HE3  LYS   7           3HE      LYS   7   3.688 -14.458 -10.248
   66    HZ1  LYS   7           3HZ      LYS   7   5.950 -16.156  -9.862
   67    HZ2  LYS   7           1HZ      LYS   7   6.416 -14.553 -10.134
   68    HZ3  LYS   7           2HZ      LYS   7   5.436 -15.350 -11.258
   69    HA   PRO   8           HA       PRO   8   5.826 -14.480  -3.107
   70    HB2  PRO   8           2HB      PRO   8   3.562 -14.779  -1.639
   71    HB3  PRO   8           3HB      PRO   8   4.718 -13.471  -1.365
   72    HG2  PRO   8           2HG      PRO   8   2.128 -13.427  -2.865
   73    HG3  PRO   8           3HG      PRO   8   2.784 -12.232  -1.731
   74    HD2  PRO   8           2HD      PRO   8   2.911 -11.913  -4.416
   75    HD3  PRO   8           3HD      PRO   8   4.163 -11.293  -3.321
   76    H    LYS   9           H        LYS   9   5.861 -16.596  -3.529
   77    HA   LYS   9           HA       LYS   9   3.466 -18.054  -4.197
   78    HB2  LYS   9           2HB      LYS   9   5.362 -17.195  -6.265
   79    HB3  LYS   9           3HB      LYS   9   5.042 -18.924  -6.273
   80    HG2  LYS   9           2HG      LYS   9   2.909 -16.802  -6.350
   81    HG3  LYS   9           3HG      LYS   9   3.564 -17.619  -7.771
   82    HD2  LYS   9           2HD      LYS   9   2.248 -19.026  -5.450
   83    HD3  LYS   9           3HD      LYS   9   1.423 -18.587  -6.948
   84    HE2  LYS   9           2HE      LYS   9   3.438 -19.889  -8.038
   85    HE3  LYS   9           3HE      LYS   9   3.505 -20.660  -6.454
   86    HZ1  LYS   9           3HZ      LYS   9   1.995 -22.028  -7.358
   87    HZ2  LYS   9           1HZ      LYS   9   1.535 -20.928  -8.558
   88    HZ3  LYS   9           2HZ      LYS   9   0.892 -20.797  -6.999
   89    H    PHE  10           H        PHE  10   3.781 -20.352  -4.195
   90    HA   PHE  10           HA       PHE  10   4.588 -22.245  -3.216
   91    HB2  PHE  10           2HB      PHE  10   6.293 -21.572  -5.173
   92    HB3  PHE  10           3HB      PHE  10   7.399 -21.482  -3.806
   93    HD1  PHE  10           HD1      PHE  10   6.479 -23.655  -2.096
   94    HD2  PHE  10           HD2      PHE  10   6.863 -23.485  -6.332
   95    HE1  PHE  10           HE1      PHE  10   6.765 -26.098  -2.165
   96    HE2  PHE  10           HE2      PHE  10   7.147 -25.928  -6.408
   97    HZ   PHE  10           HZ       PHE  10   7.098 -27.238  -4.323
   98    H    ARG  11           H        ARG  11   4.082 -20.409  -1.326
   99    HA   ARG  11           HA       ARG  11   6.422 -20.465   0.460
  100    HB2  ARG  11           2HB      ARG  11   5.192 -18.666   1.725
  101    HB3  ARG  11           3HB      ARG  11   5.731 -18.211   0.114
  102    HG2  ARG  11           2HG      ARG  11   3.044 -19.315   0.123
  103    HG3  ARG  11           3HG      ARG  11   3.202 -17.880   1.138
  104    HD2  ARG  11           2HD      ARG  11   4.229 -16.688  -0.762
  105    HD3  ARG  11           3HD      ARG  11   3.982 -18.115  -1.766
  106    HE   ARG  11           HE       ARG  11   1.998 -16.187  -0.965
  107   HH11  ARG  11          1HH1      ARG  11   2.573 -19.431  -2.092
  108   HH12  ARG  11          2HH1      ARG  11   0.987 -19.619  -2.763
  109   HH21  ARG  11          1HH2      ARG  11  -0.094 -16.423  -1.844
  110   HH22  ARG  11          2HH2      ARG  11  -0.529 -17.907  -2.621
  111    H    LYS  12           H        LYS  12   6.341 -22.110   1.835
  112    HA   LYS  12           HA       LYS  12   4.169 -23.701   2.438
  113    HB2  LYS  12           2HB      LYS  12   5.456 -24.422   4.436
  114    HB3  LYS  12           3HB      LYS  12   6.416 -24.406   2.963
  115    HG2  LYS  12           2HG      LYS  12   7.026 -21.980   3.810
  116    HG3  LYS  12           3HG      LYS  12   6.600 -22.684   5.372
  117    HD2  LYS  12           2HD      LYS  12   8.433 -24.173   3.545
  118    HD3  LYS  12           3HD      LYS  12   9.061 -22.812   4.479
  119    HE2  LYS  12           2HE      LYS  12   7.478 -24.990   5.797
  120    HE3  LYS  12           3HE      LYS  12   9.201 -25.189   5.481
  121    HZ1  LYS  12           3HZ      LYS  12   8.629 -24.297   7.725
  122    HZ2  LYS  12           1HZ      LYS  12   8.080 -22.885   6.972
  123    HZ3  LYS  12           2HZ      LYS  12   9.705 -23.336   6.842
  124    H    PHE  13           H        PHE  13   5.287 -20.778   4.072
  125    HA   PHE  13           HA       PHE  13   2.802 -20.804   5.655
  126    HB2  PHE  13           2HB      PHE  13   5.592 -19.985   6.382
  127    HB3  PHE  13           3HB      PHE  13   4.223 -19.226   7.189
  128    HD1  PHE  13           HD1      PHE  13   2.342 -21.220   7.744
  129    HD2  PHE  13           HD2      PHE  13   6.582 -21.578   7.685
  130    HE1  PHE  13           HE1      PHE  13   2.198 -23.125   9.295
  131    HE2  PHE  13           HE2      PHE  13   6.446 -23.484   9.235
  132    HZ   PHE  13           HZ       PHE  13   4.252 -24.260  10.042
  133    H    LYS  14           H        LYS  14   1.581 -18.962   5.736
  134    HA   LYS  14           HA       LYS  14   2.230 -16.926   3.743
  135    HB2  LYS  14           2HB      LYS  14  -0.293 -17.730   5.163
  136    HB3  LYS  14           3HB      LYS  14  -0.183 -16.184   4.332
  137    HG2  LYS  14           2HG      LYS  14   0.420 -18.795   2.977
  138    HG3  LYS  14           3HG      LYS  14  -1.199 -18.095   3.034
  139    HD2  LYS  14           2HD      LYS  14   1.140 -16.497   2.050
  140    HD3  LYS  14           3HD      LYS  14   0.289 -17.614   0.980
  141    HE2  LYS  14           2HE      LYS  14  -1.133 -15.491   2.565
  142    HE3  LYS  14           3HE      LYS  14  -0.476 -15.188   0.958
  143    HZ1  LYS  14           3HZ      LYS  14  -1.894 -17.482   0.643
  144    HZ2  LYS  14           1HZ      LYS  14  -2.426 -15.931   0.225
  145    HZ3  LYS  14           2HZ      LYS  14  -2.854 -16.597   1.719
  146    H    LEU  15           H        LEU  15   2.610 -14.821   4.213
  147    HA   LEU  15           HA       LEU  15   3.305 -13.034   5.442
  148    HB2  LEU  15           2HB      LEU  15   0.816 -13.956   6.803
  149    HB3  LEU  15           3HB      LEU  15   1.761 -12.656   7.528
  150    HG   LEU  15           HG       LEU  15  -0.134 -11.853   6.158
  151   HD11  LEU  15          1HD1      LEU  15   1.382 -10.171   6.304
  152   HD12  LEU  15          2HD1      LEU  15   1.475 -10.456   4.567
  153   HD13  LEU  15          3HD1      LEU  15   2.695 -11.143   5.639
  154   HD21  LEU  15          3HD2      LEU  15   1.421 -13.002   3.843
  155   HD22  LEU  15          1HD2      LEU  15  -0.059 -12.048   3.745
  156   HD23  LEU  15          2HD2      LEU  15  -0.091 -13.651   4.479
  157    H    TYR  16           H        TYR  16   4.646 -15.495   5.988
  158    HA   TYR  16           HA       TYR  16   4.967 -16.110   8.678
  159    HB2  TYR  16           2HB      TYR  16   7.346 -16.780   7.930
  160    HB3  TYR  16           3HB      TYR  16   5.979 -17.595   7.177
  161    HD1  TYR  16           HD2      TYR  16   7.881 -14.423   6.588
  162    HD2  TYR  16           HD1      TYR  16   6.254 -17.987   4.930
  163    HE1  TYR  16           HE2      TYR  16   8.718 -13.766   4.371
  164    HE2  TYR  16           HE1      TYR  16   7.087 -17.341   2.708
  165    HH   TYR  16           HH       TYR  16   7.680 -15.009   1.571
  166    H    HIS  17           H        HIS  17   7.325 -15.763   9.692
  167    HA   HIS  17           HA       HIS  17   7.488 -12.902  10.164
  168    HB2  HIS  17           2HB      HIS  17   8.410 -15.353  11.567
  169    HB3  HIS  17           3HB      HIS  17   9.365 -13.893  11.805
  170    HD1  HIS  17           HD1      HIS  17   7.843 -11.740  12.611
  171    HD2  HIS  17           HD2      HIS  17   6.288 -15.541  13.235
  172    HE1  HIS  17           HE1      HIS  17   6.056 -11.456  14.357
  173    H    GLU  18           H        GLU  18   8.302 -12.685   7.863
  174    HA   GLU  18           HA       GLU  18  11.191 -12.453   7.959
  175    HB2  GLU  18           2HB      GLU  18  10.073 -14.686   6.729
  176    HB3  GLU  18           3HB      GLU  18  10.417 -13.590   5.398
  177    HG2  GLU  18           2HG      GLU  18  12.299 -15.020   5.714
  178    HG3  GLU  18           3HG      GLU  18  12.743 -13.392   6.224
  179    H    GLY  19           H        GLY  19  10.971 -10.242   7.824
  180    HA2  GLY  19           2HA      GLY  19  10.863  -8.227   6.723
  181    HA3  GLY  19           3HA      GLY  19  10.710  -9.134   5.226
  182    H    LYS  20           H        LYS  20   9.240  -6.864   7.006
  183    HA   LYS  20           HA       LYS  20   6.508  -7.766   6.794
  184    HB2  LYS  20           2HB      LYS  20   7.899  -5.350   7.828
  185    HB3  LYS  20           3HB      LYS  20   6.225  -5.158   7.324
  186    HG2  LYS  20           2HG      LYS  20   5.616  -7.030   8.841
  187    HG3  LYS  20           3HG      LYS  20   7.284  -7.042   9.418
  188    HD2  LYS  20           2HD      LYS  20   6.992  -4.631  10.036
  189    HD3  LYS  20           3HD      LYS  20   5.279  -4.801   9.645
  190    HE2  LYS  20           2HE      LYS  20   5.487  -5.090  11.993
  191    HE3  LYS  20           3HE      LYS  20   5.193  -6.686  11.304
  192    HZ1  LYS  20           3HZ      LYS  20   7.019  -7.363  12.331
  193    HZ2  LYS  20           1HZ      LYS  20   7.391  -5.794  12.844
  194    HZ3  LYS  20           2HZ      LYS  20   7.938  -6.344  11.341
  195    H    PHE  21           H        PHE  21   6.139  -8.135   4.612
  196    HA   PHE  21           HA       PHE  21   5.197  -5.975   3.097
  197    HB2  PHE  21           2HB      PHE  21   7.913  -6.014   2.959
  198    HB3  PHE  21           3HB      PHE  21   7.501  -7.042   1.591
  199    HD1  PHE  21           HD2      PHE  21   5.290  -5.954   0.301
  200    HD2  PHE  21           HD1      PHE  21   8.382  -3.865   2.348
  201    HE1  PHE  21           HE2      PHE  21   4.839  -3.957  -1.062
  202    HE2  PHE  21           HE1      PHE  21   7.935  -1.864   0.988
  203    HZ   PHE  21           HZ       PHE  21   6.162  -1.908  -0.721
  204    H    TRP  22           H        TRP  22   3.476  -7.051   2.373
  205    HA   TRP  22           HA       TRP  22   3.932  -9.419   0.710
  206    HB2  TRP  22           2HB      TRP  22   2.210  -9.252   3.148
  207    HB3  TRP  22           3HB      TRP  22   1.676 -10.254   1.801
  208    HD1  TRP  22           HD1      TRP  22   4.658  -9.935   4.239
  209    HE1  TRP  22           HE1      TRP  22   5.736 -12.258   4.492
  210    HE3  TRP  22           HE3      TRP  22   1.885 -12.494   0.790
  211    HZ2  TRP  22           HZ2      TRP  22   5.449 -14.835   3.376
  212    HZ3  TRP  22           HZ3      TRP  22   2.350 -14.885   0.443
  213    HH2  TRP  22           HH2      TRP  22   4.096 -16.029   1.709
  214    H    CYS  23           H        CYS  23   3.607  -7.824  -0.978
  215    HA   CYS  23           HA       CYS  23   1.025  -7.866  -2.050
  216    HB2  CYS  23           2HB      CYS  23   0.412  -6.270  -0.340
  217    HB3  CYS  23           3HB      CYS  23   1.792  -5.253  -0.738
  218    HA   PRO  24           HA       PRO  24   4.220  -7.059  -5.161
  219    HB2  PRO  24           2HB      PRO  24   2.880  -8.312  -7.162
  220    HB3  PRO  24           3HB      PRO  24   3.850  -9.179  -5.965
  221    HG2  PRO  24           2HG      PRO  24   0.887  -8.767  -6.062
  222    HG3  PRO  24           3HG      PRO  24   1.800 -10.235  -5.666
  223    HD2  PRO  24           2HD      PRO  24   0.706  -8.644  -3.768
  224    HD3  PRO  24           3HD      PRO  24   2.211  -9.548  -3.505
  Start of MODEL   12
    1    H1   THR   1           H        THR   1   0.207   0.676  -4.621
    2    HA   THR   1           HA       THR   1   0.441   1.347  -1.836
    3    HB   THR   1           HB       THR   1  -0.373  -1.289  -3.073
    4    HG1  THR   1           HG1      THR   1  -2.521  -0.434  -2.656
    5   HG21  THR   1          3HG2      THR   1  -0.274  -0.236  -0.309
    6   HG22  THR   1          1HG2      THR   1  -0.123  -1.891  -0.896
    7   HG23  THR   1          2HG2      THR   1  -1.716  -1.148  -0.755
    8    H    CYS   2           H        CYS   2   1.843  -1.171  -3.930
    9    HA   CYS   2           HA       CYS   2   4.098  -1.349  -2.047
   10    HB2  CYS   2           2HB      CYS   2   4.201  -3.814  -2.681
   11    HB3  CYS   2           3HB      CYS   2   2.879  -3.335  -1.622
   12    H    HIS   3           H        HIS   3   6.084  -2.212  -3.026
   13    HA   HIS   3           HA       HIS   3   6.232  -1.985  -5.936
   14    HB2  HIS   3           2HB      HIS   3   6.773   0.242  -4.678
   15    HB3  HIS   3           3HB      HIS   3   8.293  -0.557  -4.290
   16    HD1  HIS   3           HD1      HIS   3  10.030  -0.722  -6.126
   17    HD2  HIS   3           HD2      HIS   3   6.387   0.764  -7.459
   18    HE1  HIS   3           HE1      HIS   3  10.459   0.115  -8.458
   19    H    ILE   4           H        ILE   4   6.737  -4.132  -6.153
   20    HA   ILE   4           HA       ILE   4   9.425  -4.897  -5.866
   21    HB   ILE   4           HB       ILE   4   8.878  -5.071  -3.483
   22   HG12  ILE   4          2HG1      ILE   4   9.512  -7.491  -3.189
   23   HG13  ILE   4          3HG1      ILE   4   9.307  -7.693  -4.925
   24   HG21  ILE   4          1HG2      ILE   4   7.133  -6.280  -2.612
   25   HG22  ILE   4          2HG2      ILE   4   6.412  -5.699  -4.112
   26   HG23  ILE   4          3HG2      ILE   4   7.030  -7.347  -4.012
   27   HD11  ILE   4          3HD1      ILE   4  11.350  -6.945  -5.296
   28   HD12  ILE   4          1HD1      ILE   4  11.020  -5.462  -4.402
   29   HD13  ILE   4          2HD1      ILE   4  11.604  -6.893  -3.552
   30    H    ARG   5           H        ARG   5   9.862  -6.581  -7.184
   31    HA   ARG   5           HA       ARG   5   7.690  -7.677  -8.729
   32    HB2  ARG   5           2HB      ARG   5   9.472  -8.781 -10.026
   33    HB3  ARG   5           3HB      ARG   5   9.757  -7.055  -9.848
   34    HG2  ARG   5           2HG      ARG   5  11.343  -7.538  -8.020
   35    HG3  ARG   5           3HG      ARG   5  11.100  -9.263  -8.304
   36    HD2  ARG   5           2HD      ARG   5  12.229  -7.250 -10.244
   37    HD3  ARG   5           3HD      ARG   5  13.114  -8.531  -9.419
   38    HE   ARG   5           HE       ARG   5  10.994  -9.638 -10.915
   39   HH11  ARG   5          1HH1      ARG   5  14.112  -8.141 -11.315
   40   HH12  ARG   5          2HH1      ARG   5  14.457  -8.956 -12.804
   41   HH21  ARG   5          1HH2      ARG   5  11.437 -10.717 -12.875
   42   HH22  ARG   5          2HH2      ARG   5  12.934 -10.420 -13.692
   43    H    ARG   6           H        ARG   6  10.037  -8.868  -6.372
   44    HA   ARG   6           HA       ARG   6   9.570 -11.591  -6.553
   45    HB2  ARG   6           2HB      ARG   6  11.359 -10.680  -5.186
   46    HB3  ARG   6           3HB      ARG   6  10.191  -9.932  -4.105
   47    HG2  ARG   6           2HG      ARG   6  11.022 -11.883  -3.037
   48    HG3  ARG   6           3HG      ARG   6   9.364 -12.218  -3.541
   49    HD2  ARG   6           2HD      ARG   6  10.348 -13.272  -5.618
   50    HD3  ARG   6           3HD      ARG   6  11.919 -13.154  -4.826
   51    HE   ARG   6           HE       ARG   6   9.925 -14.478  -3.237
   52   HH11  ARG   6          1HH1      ARG   6  12.332 -14.875  -5.720
   53   HH12  ARG   6          2HH1      ARG   6  12.567 -16.563  -5.405
   54   HH21  ARG   6          1HH2      ARG   6  10.225 -16.699  -2.812
   55   HH22  ARG   6          2HH2      ARG   6  11.367 -17.599  -3.751
   56    H    LYS   7           H        LYS   7   7.552 -12.385  -6.711
   57    HA   LYS   7           HA       LYS   7   5.522 -11.495  -4.791
   58    HB2  LYS   7           2HB      LYS   7   3.903 -12.593  -6.272
   59    HB3  LYS   7           3HB      LYS   7   4.874 -11.414  -7.145
   60    HG2  LYS   7           2HG      LYS   7   4.898 -13.149  -8.624
   61    HG3  LYS   7           3HG      LYS   7   6.354 -13.510  -7.693
   62    HD2  LYS   7           2HD      LYS   7   5.438 -15.343  -6.718
   63    HD3  LYS   7           3HD      LYS   7   3.818 -14.644  -6.676
   64    HE2  LYS   7           2HE      LYS   7   5.164 -15.601  -9.196
   65    HE3  LYS   7           3HE      LYS   7   4.098 -16.607  -8.216
   66    HZ1  LYS   7           3HZ      LYS   7   3.356 -14.059  -9.550
   67    HZ2  LYS   7           1HZ      LYS   7   2.331 -14.976  -8.564
   68    HZ3  LYS   7           2HZ      LYS   7   2.885 -15.612 -10.030
   69    HA   PRO   8           HA       PRO   8   5.663 -15.206  -2.448
   70    HB2  PRO   8           2HB      PRO   8   3.057 -15.475  -1.736
   71    HB3  PRO   8           3HB      PRO   8   4.118 -14.239  -1.049
   72    HG2  PRO   8           2HG      PRO   8   2.094 -13.993  -3.241
   73    HG3  PRO   8           3HG      PRO   8   2.417 -12.893  -1.887
   74    HD2  PRO   8           2HD      PRO   8   3.347 -12.437  -4.389
   75    HD3  PRO   8           3HD      PRO   8   4.234 -11.936  -2.935
   76    H    LYS   9           H        LYS   9   5.761 -17.295  -2.979
   77    HA   LYS   9           HA       LYS   9   3.640 -18.683  -4.281
   78    HB2  LYS   9           2HB      LYS   9   4.912 -19.316  -6.318
   79    HB3  LYS   9           3HB      LYS   9   4.495 -17.608  -6.266
   80    HG2  LYS   9           2HG      LYS   9   6.658 -17.437  -6.924
   81    HG3  LYS   9           3HG      LYS   9   6.900 -17.430  -5.176
   82    HD2  LYS   9           2HD      LYS   9   7.790 -19.531  -5.154
   83    HD3  LYS   9           3HD      LYS   9   6.843 -20.064  -6.545
   84    HE2  LYS   9           2HE      LYS   9   9.173 -18.153  -6.677
   85    HE3  LYS   9           3HE      LYS   9   9.272 -19.882  -7.012
   86    HZ1  LYS   9           3HZ      LYS   9   7.378 -19.328  -8.683
   87    HZ2  LYS   9           1HZ      LYS   9   8.989 -19.025  -9.100
   88    HZ3  LYS   9           2HZ      LYS   9   7.996 -17.757  -8.585
   89    H    PHE  10           H        PHE  10   3.883 -20.911  -4.177
   90    HA   PHE  10           HA       PHE  10   4.604 -22.873  -3.279
   91    HB2  PHE  10           2HB      PHE  10   6.436 -22.252  -5.047
   92    HB3  PHE  10           3HB      PHE  10   7.445 -21.984  -3.629
   93    HD1  PHE  10           HD1      PHE  10   5.000 -24.561  -4.787
   94    HD2  PHE  10           HD2      PHE  10   8.809 -23.732  -3.079
   95    HE1  PHE  10           HE1      PHE  10   5.472 -26.974  -4.675
   96    HE2  PHE  10           HE2      PHE  10   9.287 -26.142  -2.965
   97    HZ   PHE  10           HZ       PHE  10   7.618 -27.767  -3.764
   98    H    ARG  11           H        ARG  11   4.082 -20.794  -1.442
   99    HA   ARG  11           HA       ARG  11   6.077 -21.338   0.657
  100    HB2  ARG  11           2HB      ARG  11   5.004 -19.219   1.707
  101    HB3  ARG  11           3HB      ARG  11   6.155 -19.033   0.391
  102    HG2  ARG  11           2HG      ARG  11   4.325 -17.554   0.008
  103    HG3  ARG  11           3HG      ARG  11   4.240 -18.855  -1.181
  104    HD2  ARG  11           2HD      ARG  11   2.376 -19.794  -0.222
  105    HD3  ARG  11           3HD      ARG  11   2.746 -19.151   1.377
  106    HE   ARG  11           HE       ARG  11   1.608 -17.228   0.841
  107   HH11  ARG  11          1HH1      ARG  11   2.123 -19.124  -2.033
  108   HH12  ARG  11          2HH1      ARG  11   1.077 -18.155  -3.017
  109   HH21  ARG  11          1HH2      ARG  11   0.229 -15.945  -0.444
  110   HH22  ARG  11          2HH2      ARG  11   0.001 -16.346  -2.113
  111    H    LYS  12           H        LYS  12   5.287 -21.613   2.823
  112    HA   LYS  12           HA       LYS  12   2.630 -22.860   2.868
  113    HB2  LYS  12           2HB      LYS  12   4.983 -23.137   4.746
  114    HB3  LYS  12           3HB      LYS  12   3.430 -23.928   4.976
  115    HG2  LYS  12           2HG      LYS  12   4.957 -24.328   2.440
  116    HG3  LYS  12           3HG      LYS  12   5.382 -25.234   3.894
  117    HD2  LYS  12           2HD      LYS  12   2.553 -25.128   2.900
  118    HD3  LYS  12           3HD      LYS  12   3.712 -26.284   2.237
  119    HE2  LYS  12           2HE      LYS  12   4.139 -27.090   4.548
  120    HE3  LYS  12           3HE      LYS  12   2.862 -26.017   5.118
  121    HZ1  LYS  12           3HZ      LYS  12   1.268 -27.376   4.358
  122    HZ2  LYS  12           1HZ      LYS  12   2.476 -28.561   4.394
  123    HZ3  LYS  12           2HZ      LYS  12   2.108 -27.771   2.944
  124    H    PHE  13           H        PHE  13   4.582 -21.339   5.422
  125    HA   PHE  13           HA       PHE  13   2.331 -20.329   6.793
  126    HB2  PHE  13           2HB      PHE  13   5.271 -19.665   6.973
  127    HB3  PHE  13           3HB      PHE  13   4.063 -18.960   8.042
  128    HD1  PHE  13           HD2      PHE  13   5.475 -22.204   6.925
  129    HD2  PHE  13           HD1      PHE  13   3.385 -20.080   9.964
  130    HE1  PHE  13           HE2      PHE  13   5.656 -24.157   8.409
  131    HE2  PHE  13           HE1      PHE  13   3.564 -22.029  11.454
  132    HZ   PHE  13           HZ       PHE  13   4.700 -24.072  10.677
  133    H    LYS  14           H        LYS  14   1.239 -18.465   6.633
  134    HA   LYS  14           HA       LYS  14   1.976 -16.641   4.477
  135    HB2  LYS  14           2HB      LYS  14  -0.539 -17.032   6.089
  136    HB3  LYS  14           3HB      LYS  14  -0.321 -15.650   5.023
  137    HG2  LYS  14           2HG      LYS  14  -0.078 -18.498   4.092
  138    HG3  LYS  14           3HG      LYS  14  -1.590 -17.587   4.056
  139    HD2  LYS  14           2HD      LYS  14   0.820 -16.347   2.834
  140    HD3  LYS  14           3HD      LYS  14   0.041 -17.674   1.969
  141    HE2  LYS  14           2HE      LYS  14  -1.089 -15.870   1.108
  142    HE3  LYS  14           3HE      LYS  14  -2.138 -16.307   2.455
  143    HZ1  LYS  14           3HZ      LYS  14  -0.020 -14.423   3.072
  144    HZ2  LYS  14           1HZ      LYS  14  -1.638 -14.435   3.566
  145    HZ3  LYS  14           2HZ      LYS  14  -1.225 -13.845   2.036
  146    H    LEU  15           H        LEU  15   2.578 -14.559   4.767
  147    HA   LEU  15           HA       LEU  15   3.489 -12.760   5.827
  148    HB2  LEU  15           2HB      LEU  15   0.985 -13.323   7.352
  149    HB3  LEU  15           3HB      LEU  15   2.072 -12.050   7.904
  150    HG   LEU  15           HG       LEU  15   0.222 -11.173   6.556
  151   HD11  LEU  15          1HD1      LEU  15   3.050 -10.817   5.956
  152   HD12  LEU  15          2HD1      LEU  15   1.786  -9.618   6.223
  153   HD13  LEU  15          3HD1      LEU  15   1.990 -10.343   4.629
  154   HD21  LEU  15          3HD2      LEU  15   1.376 -12.402   4.100
  155   HD22  LEU  15          1HD2      LEU  15  -0.262 -11.828   4.415
  156   HD23  LEU  15          2HD2      LEU  15   0.281 -13.360   5.098
  157    H    TYR  16           H        TYR  16   4.602 -15.296   6.534
  158    HA   TYR  16           HA       TYR  16   4.961 -15.720   9.257
  159    HB2  TYR  16           2HB      TYR  16   7.234 -16.687   8.493
  160    HB3  TYR  16           3HB      TYR  16   5.762 -17.422   7.866
  161    HD1  TYR  16           HD2      TYR  16   7.878 -14.483   6.911
  162    HD2  TYR  16           HD1      TYR  16   5.953 -18.069   5.669
  163    HE1  TYR  16           HE2      TYR  16   8.675 -14.109   4.614
  164    HE2  TYR  16           HE1      TYR  16   6.746 -17.705   3.369
  165    HH   TYR  16           HH       TYR  16   7.985 -16.441   2.027
  166    H    HIS  17           H        HIS  17   7.386 -15.540  10.159
  167    HA   HIS  17           HA       HIS  17   7.845 -12.686  10.404
  168    HB2  HIS  17           2HB      HIS  17   8.622 -15.114  11.931
  169    HB3  HIS  17           3HB      HIS  17   9.710 -13.733  12.020
  170    HD1  HIS  17           HD1      HIS  17   6.062 -13.070  11.744
  171    HD2  HIS  17           HD2      HIS  17   8.957 -13.331  14.713
  172    HE1  HIS  17           HE1      HIS  17   5.003 -12.091  13.804
  173    H    GLU  18           H        GLU  18   8.547 -12.697   8.058
  174    HA   GLU  18           HA       GLU  18  11.447 -12.736   7.997
  175    HB2  GLU  18           2HB      GLU  18  10.067 -14.928   6.985
  176    HB3  GLU  18           3HB      GLU  18  10.423 -13.958   5.563
  177    HG2  GLU  18           2HG      GLU  18  12.821 -13.887   6.740
  178    HG3  GLU  18           3HG      GLU  18  12.240 -15.432   7.360
  179    H    GLY  19           H        GLY  19  11.405 -10.522   7.731
  180    HA2  GLY  19           2HA      GLY  19  11.378  -8.562   6.535
  181    HA3  GLY  19           3HA      GLY  19  11.173  -9.545   5.093
  182    H    LYS  20           H        LYS  20   9.735  -7.302   7.140
  183    HA   LYS  20           HA       LYS  20   6.999  -8.002   6.786
  184    HB2  LYS  20           2HB      LYS  20   8.501  -5.664   7.833
  185    HB3  LYS  20           3HB      LYS  20   6.851  -5.372   7.300
  186    HG2  LYS  20           2HG      LYS  20   6.251  -7.390   8.789
  187    HG3  LYS  20           3HG      LYS  20   7.833  -7.115   9.522
  188    HD2  LYS  20           2HD      LYS  20   7.226  -4.910  10.190
  189    HD3  LYS  20           3HD      LYS  20   5.745  -4.962   9.231
  190    HE2  LYS  20           2HE      LYS  20   6.254  -6.902  11.466
  191    HE3  LYS  20           3HE      LYS  20   5.549  -5.314  11.762
  192    HZ1  LYS  20           3HZ      LYS  20   3.594  -6.165  11.219
  193    HZ2  LYS  20           1HZ      LYS  20   4.292  -7.652  10.815
  194    HZ3  LYS  20           2HZ      LYS  20   4.151  -6.439   9.645
  195    H    PHE  21           H        PHE  21   6.634  -8.364   4.599
  196    HA   PHE  21           HA       PHE  21   5.772  -6.186   3.076
  197    HB2  PHE  21           2HB      PHE  21   8.481  -6.257   2.975
  198    HB3  PHE  21           3HB      PHE  21   8.086  -7.296   1.610
  199    HD1  PHE  21           HD1      PHE  21   6.007  -6.245   0.177
  200    HD2  PHE  21           HD2      PHE  21   8.889  -4.077   2.437
  201    HE1  PHE  21           HE1      PHE  21   5.602  -4.259  -1.218
  202    HE2  PHE  21           HE2      PHE  21   8.488  -2.087   1.047
  203    HZ   PHE  21           HZ       PHE  21   6.842  -2.176  -0.783
  204    H    TRP  22           H        TRP  22   4.032  -7.248   2.364
  205    HA   TRP  22           HA       TRP  22   4.475  -9.672   0.760
  206    HB2  TRP  22           2HB      TRP  22   2.596  -9.279   3.050
  207    HB3  TRP  22           3HB      TRP  22   2.081 -10.294   1.705
  208    HD1  TRP  22           HD1      TRP  22   5.063 -10.068   4.181
  209    HE1  TRP  22           HE1      TRP  22   5.878 -12.463   4.655
  210    HE3  TRP  22           HE3      TRP  22   1.966 -12.621   1.013
  211    HZ2  TRP  22           HZ2      TRP  22   5.286 -15.087   3.799
  212    HZ3  TRP  22           HZ3      TRP  22   2.155 -15.072   0.900
  213    HH2  TRP  22           HH2      TRP  22   3.782 -16.277   2.265
  214    H    CYS  23           H        CYS  23   4.392  -8.134  -1.012
  215    HA   CYS  23           HA       CYS  23   1.882  -8.052  -2.264
  216    HB2  CYS  23           2HB      CYS  23   1.428  -6.279  -0.602
  217    HB3  CYS  23           3HB      CYS  23   2.813  -5.374  -1.205
  218    HA   PRO  24           HA       PRO  24   5.328  -7.732  -5.192
  219    HB2  PRO  24           2HB      PRO  24   4.011  -9.001  -7.198
  220    HB3  PRO  24           3HB      PRO  24   4.823  -9.863  -5.887
  221    HG2  PRO  24           2HG      PRO  24   1.920  -9.210  -6.212
  222    HG3  PRO  24           3HG      PRO  24   2.672 -10.720  -5.664
  223    HD2  PRO  24           2HD      PRO  24   1.607  -8.917  -3.948
  224    HD3  PRO  24           3HD      PRO  24   3.006  -9.925  -3.526
  Start of MODEL   13
    1    H1   THR   1           H        THR   1   0.375   0.378  -0.604
    2    HA   THR   1           HA       THR   1   0.646  -0.124  -3.488
    3    HB   THR   1           HB       THR   1   2.199   2.098  -2.204
    4    HG1  THR   1           HG1      THR   1  -0.310   2.460  -3.499
    5   HG21  THR   1          3HG2      THR   1   2.105   0.932  -4.755
    6   HG22  THR   1          1HG2      THR   1   2.963   2.396  -4.277
    7   HG23  THR   1          2HG2      THR   1   1.321   2.503  -4.914
    8    H    CYS   2           H        CYS   2   2.430  -1.236  -4.080
    9    HA   CYS   2           HA       CYS   2   4.605  -1.565  -2.143
   10    HB2  CYS   2           2HB      CYS   2   4.630  -4.041  -2.756
   11    HB3  CYS   2           3HB      CYS   2   3.335  -3.508  -1.688
   12    H    HIS   3           H        HIS   3   6.297  -3.164  -3.351
   13    HA   HIS   3           HA       HIS   3   6.929  -1.751  -5.832
   14    HB2  HIS   3           2HB      HIS   3   8.545  -3.336  -3.860
   15    HB3  HIS   3           3HB      HIS   3   9.164  -3.044  -5.482
   16    HD1  HIS   3           HD1      HIS   3   8.421  -0.143  -5.919
   17    HD2  HIS   3           HD2      HIS   3   9.929  -1.586  -2.327
   18    HE1  HIS   3           HE1      HIS   3   9.421   1.853  -4.760
   19    H    ILE   4           H        ILE   4   8.393  -3.343  -7.301
   20    HA   ILE   4           HA       ILE   4   6.918  -5.857  -7.666
   21    HB   ILE   4           HB       ILE   4   7.629  -4.016  -9.949
   22   HG12  ILE   4          2HG1      ILE   4   5.843  -3.058  -8.527
   23   HG13  ILE   4          3HG1      ILE   4   5.252  -3.513 -10.121
   24   HG21  ILE   4          1HG2      ILE   4   6.817  -6.773  -9.772
   25   HG22  ILE   4          2HG2      ILE   4   5.643  -5.831 -10.690
   26   HG23  ILE   4          3HG2      ILE   4   7.337  -5.844 -11.178
   27   HD11  ILE   4          3HD1      ILE   4   4.893  -5.744  -8.439
   28   HD12  ILE   4          1HD1      ILE   4   4.317  -4.326  -7.564
   29   HD13  ILE   4          2HD1      ILE   4   3.664  -4.705  -9.158
   30    H    ARG   5           H        ARG   5   8.377  -7.417  -7.458
   31    HA   ARG   5           HA       ARG   5  10.714  -7.453  -9.140
   32    HB2  ARG   5           2HB      ARG   5  12.235  -7.913  -7.145
   33    HB3  ARG   5           3HB      ARG   5  11.753  -6.242  -7.405
   34    HG2  ARG   5           2HG      ARG   5   9.968  -6.567  -5.694
   35    HG3  ARG   5           3HG      ARG   5  10.659  -8.157  -5.361
   36    HD2  ARG   5           2HD      ARG   5  12.243  -5.601  -5.210
   37    HD3  ARG   5           3HD      ARG   5  11.394  -6.293  -3.828
   38    HE   ARG   5           HE       ARG   5  13.881  -7.157  -4.912
   39   HH11  ARG   5          1HH1      ARG   5  10.988  -8.273  -3.330
   40   HH12  ARG   5          2HH1      ARG   5  11.753  -9.658  -2.623
   41   HH21  ARG   5          1HH2      ARG   5  14.899  -8.977  -3.988
   42   HH22  ARG   5          2HH2      ARG   5  13.978 -10.057  -2.998
   43    H    ARG   6           H        ARG   6   9.164  -8.962  -6.315
   44    HA   ARG   6           HA       ARG   6   9.102 -11.505  -7.708
   45    HB2  ARG   6           2HB      ARG   6  10.649 -11.096  -5.148
   46    HB3  ARG   6           3HB      ARG   6  10.121 -12.677  -5.710
   47    HG2  ARG   6           2HG      ARG   6  11.928 -10.814  -7.236
   48    HG3  ARG   6           3HG      ARG   6  12.462 -12.194  -6.275
   49    HD2  ARG   6           2HD      ARG   6  10.722 -12.247  -8.736
   50    HD3  ARG   6           3HD      ARG   6  12.375 -12.841  -8.589
   51    HE   ARG   6           HE       ARG   6  10.908 -14.226  -6.714
   52   HH11  ARG   6          1HH1      ARG   6  10.854 -13.809 -10.170
   53   HH12  ARG   6          2HH1      ARG   6  10.194 -15.381 -10.480
   54   HH21  ARG   6          1HH2      ARG   6  10.040 -16.298  -7.109
   55   HH22  ARG   6          2HH2      ARG   6   9.731 -16.795  -8.738
   56    H    LYS   7           H        LYS   7   7.439 -12.800  -7.059
   57    HA   LYS   7           HA       LYS   7   5.709 -11.713  -4.942
   58    HB2  LYS   7           2HB      LYS   7   3.861 -12.872  -6.074
   59    HB3  LYS   7           3HB      LYS   7   4.668 -11.735  -7.147
   60    HG2  LYS   7           2HG      LYS   7   4.448 -13.531  -8.535
   61    HG3  LYS   7           3HG      LYS   7   6.041 -13.859  -7.848
   62    HD2  LYS   7           2HD      LYS   7   5.321 -15.681  -6.732
   63    HD3  LYS   7           3HD      LYS   7   3.776 -14.938  -6.313
   64    HE2  LYS   7           2HE      LYS   7   3.904 -15.388  -9.141
   65    HE3  LYS   7           3HE      LYS   7   4.290 -16.880  -8.286
   66    HZ1  LYS   7           3HZ      LYS   7   2.188 -17.118  -7.644
   67    HZ2  LYS   7           1HZ      LYS   7   1.792 -15.919  -8.771
   68    HZ3  LYS   7           2HZ      LYS   7   2.049 -15.506  -7.151
   69    HA   PRO   8           HA       PRO   8   6.221 -15.305  -2.469
   70    HB2  PRO   8           2HB      PRO   8   3.770 -15.503  -1.319
   71    HB3  PRO   8           3HB      PRO   8   4.938 -14.249  -0.883
   72    HG2  PRO   8           2HG      PRO   8   2.576 -14.083  -2.715
   73    HG3  PRO   8           3HG      PRO   8   3.128 -12.923  -1.493
   74    HD2  PRO   8           2HD      PRO   8   3.627 -12.603  -4.135
   75    HD3  PRO   8           3HD      PRO   8   4.748 -12.044  -2.876
   76    H    LYS   9           H        LYS   9   5.956 -17.495  -2.543
   77    HA   LYS   9           HA       LYS   9   3.719 -18.861  -3.535
   78    HB2  LYS   9           2HB      LYS   9   5.472 -17.829  -5.567
   79    HB3  LYS   9           3HB      LYS   9   5.523 -19.586  -5.584
   80    HG2  LYS   9           2HG      LYS   9   3.022 -17.917  -5.744
   81    HG3  LYS   9           3HG      LYS   9   3.832 -18.689  -7.109
   82    HD2  LYS   9           2HD      LYS   9   2.727 -20.155  -4.714
   83    HD3  LYS   9           3HD      LYS   9   1.887 -19.974  -6.256
   84    HE2  LYS   9           2HE      LYS   9   3.995 -21.015  -7.291
   85    HE3  LYS   9           3HE      LYS   9   4.398 -21.501  -5.645
   86    HZ1  LYS   9           3HZ      LYS   9   3.138 -23.163  -7.043
   87    HZ2  LYS   9           1HZ      LYS   9   1.790 -22.152  -6.884
   88    HZ3  LYS   9           2HZ      LYS   9   2.497 -22.842  -5.511
   89    H    PHE  10           H        PHE  10   4.056 -21.176  -3.669
   90    HA   PHE  10           HA       PHE  10   4.835 -23.107  -2.743
   91    HB2  PHE  10           2HB      PHE  10   7.344 -21.834  -3.812
   92    HB3  PHE  10           3HB      PHE  10   7.377 -23.414  -3.037
   93    HD1  PHE  10           HD1      PHE  10   5.124 -24.829  -3.972
   94    HD2  PHE  10           HD2      PHE  10   7.538 -22.031  -6.083
   95    HE1  PHE  10           HE1      PHE  10   4.484 -25.887  -6.100
   96    HE2  PHE  10           HE2      PHE  10   6.902 -23.084  -8.214
   97    HZ   PHE  10           HZ       PHE  10   5.372 -25.014  -8.224
   98    H    ARG  11           H        ARG  11   4.444 -20.919  -0.928
   99    HA   ARG  11           HA       ARG  11   6.565 -21.397   1.055
  100    HB2  ARG  11           2HB      ARG  11   5.842 -19.339   2.137
  101    HB3  ARG  11           3HB      ARG  11   6.209 -19.040   0.443
  102    HG2  ARG  11           2HG      ARG  11   3.402 -19.690   1.025
  103    HG3  ARG  11           3HG      ARG  11   3.988 -18.166   1.694
  104    HD2  ARG  11           2HD      ARG  11   4.723 -17.456  -0.509
  105    HD3  ARG  11           3HD      ARG  11   4.225 -19.003  -1.194
  106    HE   ARG  11           HE       ARG  11   2.529 -16.774  -0.513
  107   HH11  ARG  11          1HH1      ARG  11   2.691 -20.201  -1.109
  108   HH12  ARG  11          2HH1      ARG  11   1.017 -20.337  -1.534
  109   HH21  ARG  11          1HH2      ARG  11   0.324 -16.942  -1.071
  110   HH22  ARG  11          2HH2      ARG  11  -0.328 -18.483  -1.513
  111    H    LYS  12           H        LYS  12   6.030 -21.956   3.176
  112    HA   LYS  12           HA       LYS  12   3.538 -23.423   3.423
  113    HB2  LYS  12           2HB      LYS  12   5.982 -23.201   5.178
  114    HB3  LYS  12           3HB      LYS  12   4.548 -24.102   5.652
  115    HG2  LYS  12           2HG      LYS  12   5.912 -24.680   3.056
  116    HG3  LYS  12           3HG      LYS  12   6.522 -25.356   4.568
  117    HD2  LYS  12           2HD      LYS  12   4.493 -26.519   4.968
  118    HD3  LYS  12           3HD      LYS  12   3.656 -25.639   3.687
  119    HE2  LYS  12           2HE      LYS  12   4.599 -26.889   2.025
  120    HE3  LYS  12           3HE      LYS  12   6.067 -27.207   2.947
  121    HZ1  LYS  12           3HZ      LYS  12   4.339 -29.087   2.546
  122    HZ2  LYS  12           1HZ      LYS  12   3.531 -28.378   3.853
  123    HZ3  LYS  12           2HZ      LYS  12   5.110 -28.955   4.046
  124    H    PHE  13           H        PHE  13   5.269 -21.188   5.603
  125    HA   PHE  13           HA       PHE  13   2.769 -20.466   6.876
  126    HB2  PHE  13           2HB      PHE  13   5.637 -19.669   7.385
  127    HB3  PHE  13           3HB      PHE  13   4.281 -19.012   8.296
  128    HD1  PHE  13           HD1      PHE  13   6.069 -22.139   7.462
  129    HD2  PHE  13           HD2      PHE  13   3.330 -20.200  10.080
  130    HE1  PHE  13           HE1      PHE  13   6.168 -24.067   8.987
  131    HE2  PHE  13           HE2      PHE  13   3.425 -22.125  11.610
  132    HZ   PHE  13           HZ       PHE  13   4.846 -24.061  11.065
  133    H    LYS  14           H        LYS  14   1.663 -18.609   6.617
  134    HA   LYS  14           HA       LYS  14   2.566 -16.804   4.500
  135    HB2  LYS  14           2HB      LYS  14  -0.094 -17.358   5.779
  136    HB3  LYS  14           3HB      LYS  14   0.161 -15.886   4.851
  137    HG2  LYS  14           2HG      LYS  14   0.737 -18.607   3.723
  138    HG3  LYS  14           3HG      LYS  14  -0.860 -17.860   3.632
  139    HD2  LYS  14           2HD      LYS  14   1.560 -16.361   2.707
  140    HD3  LYS  14           3HD      LYS  14   0.809 -17.568   1.660
  141    HE2  LYS  14           2HE      LYS  14  -0.597 -15.200   2.893
  142    HE3  LYS  14           3HE      LYS  14  -0.031 -15.295   1.227
  143    HZ1  LYS  14           3HZ      LYS  14  -1.547 -17.541   1.557
  144    HZ2  LYS  14           1HZ      LYS  14  -2.024 -16.125   0.764
  145    HZ3  LYS  14           2HZ      LYS  14  -2.413 -16.353   2.393
  146    H    LEU  15           H        LEU  15   2.967 -14.661   4.802
  147    HA   LEU  15           HA       LEU  15   3.668 -12.803   5.919
  148    HB2  LEU  15           2HB      LEU  15   1.096 -13.531   7.251
  149    HB3  LEU  15           3HB      LEU  15   2.048 -12.183   7.869
  150    HG   LEU  15           HG       LEU  15   0.260 -11.430   6.382
  151   HD11  LEU  15          1HD1      LEU  15   1.722  -9.781   6.078
  152   HD12  LEU  15          2HD1      LEU  15   2.143 -10.563   4.555
  153   HD13  LEU  15          3HD1      LEU  15   3.086 -10.897   6.007
  154   HD21  LEU  15          3HD2      LEU  15   0.217 -13.486   4.976
  155   HD22  LEU  15          1HD2      LEU  15   1.699 -12.929   4.199
  156   HD23  LEU  15          2HD2      LEU  15   0.218 -11.983   4.051
  157    H    TYR  16           H        TYR  16   4.876 -15.269   6.733
  158    HA   TYR  16           HA       TYR  16   5.049 -15.637   9.487
  159    HB2  TYR  16           2HB      TYR  16   7.413 -16.505   8.908
  160    HB3  TYR  16           3HB      TYR  16   6.029 -17.320   8.188
  161    HD1  TYR  16           HD1      TYR  16   8.067 -14.295   7.337
  162    HD2  TYR  16           HD2      TYR  16   6.414 -17.989   6.023
  163    HE1  TYR  16           HE1      TYR  16   9.015 -13.916   5.100
  164    HE2  TYR  16           HE2      TYR  16   7.359 -17.621   3.782
  165    HH   TYR  16           HH       TYR  16   8.158 -15.019   2.528
  166    H    HIS  17           H        HIS  17   7.443 -15.336  10.506
  167    HA   HIS  17           HA       HIS  17   7.740 -12.448  10.716
  168    HB2  HIS  17           2HB      HIS  17   8.462 -14.790  12.397
  169    HB3  HIS  17           3HB      HIS  17   9.492 -13.367  12.526
  170    HD1  HIS  17           HD1      HIS  17   6.763 -14.792  14.175
  171    HD2  HIS  17           HD2      HIS  17   7.590 -10.941  12.853
  172    HE1  HIS  17           HE1      HIS  17   5.268 -13.284  15.521
  173    H    GLU  18           H        GLU  18   8.646 -12.514   8.442
  174    HA   GLU  18           HA       GLU  18  11.540 -12.448   8.634
  175    HB2  GLU  18           2HB      GLU  18  10.399 -14.743   7.651
  176    HB3  GLU  18           3HB      GLU  18  10.683 -13.816   6.185
  177    HG2  GLU  18           2HG      GLU  18  12.577 -15.200   6.560
  178    HG3  GLU  18           3HG      GLU  18  13.048 -13.535   6.895
  179    H    GLY  19           H        GLY  19  11.455 -10.248   8.283
  180    HA2  GLY  19           2HA      GLY  19  11.435  -8.322   7.035
  181    HA3  GLY  19           3HA      GLY  19  11.449  -9.357   5.615
  182    H    LYS  20           H        LYS  20   9.610  -7.248   7.550
  183    HA   LYS  20           HA       LYS  20   6.999  -8.076   6.868
  184    HB2  LYS  20           2HB      LYS  20   8.010  -6.226   8.565
  185    HB3  LYS  20           3HB      LYS  20   7.471  -5.181   7.256
  186    HG2  LYS  20           2HG      LYS  20   5.255  -5.693   7.574
  187    HG3  LYS  20           3HG      LYS  20   5.612  -7.252   8.321
  188    HD2  LYS  20           2HD      LYS  20   6.511  -6.043  10.294
  189    HD3  LYS  20           3HD      LYS  20   6.006  -4.524   9.550
  190    HE2  LYS  20           2HE      LYS  20   4.006  -6.710   9.880
  191    HE3  LYS  20           3HE      LYS  20   4.471  -5.761  11.291
  192    HZ1  LYS  20           3HZ      LYS  20   3.226  -4.792   8.783
  193    HZ2  LYS  20           1HZ      LYS  20   3.929  -3.750   9.915
  194    HZ3  LYS  20           2HZ      LYS  20   2.605  -4.705  10.354
  195    H    PHE  21           H        PHE  21   6.884  -8.520   4.671
  196    HA   PHE  21           HA       PHE  21   6.174  -6.355   2.996
  197    HB2  PHE  21           2HB      PHE  21   8.872  -6.594   3.096
  198    HB3  PHE  21           3HB      PHE  21   8.508  -7.692   1.769
  199    HD1  PHE  21           HD2      PHE  21   6.469  -6.537   0.238
  200    HD2  PHE  21           HD1      PHE  21   9.588  -4.556   2.351
  201    HE1  PHE  21           HE2      PHE  21   6.290  -4.623  -1.298
  202    HE2  PHE  21           HE1      PHE  21   9.413  -2.639   0.819
  203    HZ   PHE  21           HZ       PHE  21   7.763  -2.671  -1.009
  204    H    TRP  22           H        TRP  22   4.405  -7.378   2.276
  205    HA   TRP  22           HA       TRP  22   4.804  -9.849   0.744
  206    HB2  TRP  22           2HB      TRP  22   2.871  -9.392   2.990
  207    HB3  TRP  22           3HB      TRP  22   2.438 -10.482   1.676
  208    HD1  TRP  22           HD1      TRP  22   5.195 -10.073   4.361
  209    HE1  TRP  22           HE1      TRP  22   6.100 -12.413   4.936
  210    HE3  TRP  22           HE3      TRP  22   2.575 -12.819   0.937
  211    HZ2  TRP  22           HZ2      TRP  22   5.750 -15.071   4.054
  212    HZ3  TRP  22           HZ3      TRP  22   2.918 -15.255   0.867
  213    HH2  TRP  22           HH2      TRP  22   4.473 -16.356   2.394
  214    H    CYS  23           H        CYS  23   4.748  -8.321  -1.040
  215    HA   CYS  23           HA       CYS  23   2.253  -8.224  -2.311
  216    HB2  CYS  23           2HB      CYS  23   1.784  -6.450  -0.656
  217    HB3  CYS  23           3HB      CYS  23   3.180  -5.549  -1.242
  218    HA   PRO  24           HA       PRO  24   5.721  -7.917  -5.211
  219    HB2  PRO  24           2HB      PRO  24   4.412  -9.174  -7.230
  220    HB3  PRO  24           3HB      PRO  24   5.208 -10.044  -5.914
  221    HG2  PRO  24           2HG      PRO  24   2.312  -9.372  -6.261
  222    HG3  PRO  24           3HG      PRO  24   3.050 -10.887  -5.710
  223    HD2  PRO  24           2HD      PRO  24   1.982  -9.080  -3.999
  224    HD3  PRO  24           3HD      PRO  24   3.372 -10.098  -3.569
  Start of MODEL   14
    1    H1   THR   1           H        THR   1   1.788   1.670  -4.535
    2    HA   THR   1           HA       THR   1   2.729   2.186  -1.794
    3    HB   THR   1           HB       THR   1   0.796   1.030  -0.972
    4    HG1  THR   1           HG1      THR   1   0.167   0.472  -3.698
    5   HG21  THR   1          3HG2      THR   1  -0.903   2.521  -1.592
    6   HG22  THR   1          1HG2      THR   1  -0.287   2.682  -3.236
    7   HG23  THR   1          2HG2      THR   1   0.584   3.419  -1.891
    8    H    CYS   2           H        CYS   2   2.133  -0.409  -4.140
    9    HA   CYS   2           HA       CYS   2   3.876  -2.167  -2.546
   10    HB2  CYS   2           2HB      CYS   2   1.741  -2.820  -4.585
   11    HB3  CYS   2           3HB      CYS   2   2.833  -4.018  -3.896
   12    H    HIS   3           H        HIS   3   5.844  -2.556  -3.295
   13    HA   HIS   3           HA       HIS   3   6.319  -2.638  -6.175
   14    HB2  HIS   3           2HB      HIS   3   6.804  -0.300  -5.176
   15    HB3  HIS   3           3HB      HIS   3   8.204  -1.069  -4.434
   16    HD1  HIS   3           HD1      HIS   3  10.180  -1.631  -5.946
   17    HD2  HIS   3           HD2      HIS   3   6.922  -0.070  -7.996
   18    HE1  HIS   3           HE1      HIS   3  11.024  -1.118  -8.259
   19    H    ILE   4           H        ILE   4   6.655  -4.853  -5.970
   20    HA   ILE   4           HA       ILE   4   9.251  -5.570  -4.828
   21    HB   ILE   4           HB       ILE   4   6.722  -7.134  -4.295
   22   HG12  ILE   4          2HG1      ILE   4   6.971  -5.096  -2.908
   23   HG13  ILE   4          3HG1      ILE   4   7.089  -6.571  -1.955
   24   HG21  ILE   4          1HG2      ILE   4   9.618  -7.732  -3.870
   25   HG22  ILE   4          2HG2      ILE   4   8.411  -8.393  -2.769
   26   HG23  ILE   4          3HG2      ILE   4   8.337  -8.773  -4.489
   27   HD11  ILE   4          3HD1      ILE   4   9.686  -5.735  -2.861
   28   HD12  ILE   4          1HD1      ILE   4   8.868  -4.436  -1.994
   29   HD13  ILE   4          2HD1      ILE   4   9.097  -6.005  -1.221
   30    H    ARG   5           H        ARG   5  10.342  -7.146  -5.936
   31    HA   ARG   5           HA       ARG   5   9.266  -7.828  -8.550
   32    HB2  ARG   5           2HB      ARG   5  11.481  -8.421  -9.161
   33    HB3  ARG   5           3HB      ARG   5  11.617  -6.962  -8.189
   34    HG2  ARG   5           2HG      ARG   5  12.047  -8.542  -6.221
   35    HG3  ARG   5           3HG      ARG   5  12.316  -9.778  -7.452
   36    HD2  ARG   5           2HD      ARG   5  14.434  -8.826  -6.864
   37    HD3  ARG   5           3HD      ARG   5  14.014  -8.284  -8.488
   38    HE   ARG   5           HE       ARG   5  13.234  -6.459  -6.403
   39   HH11  ARG   5          1HH1      ARG   5  15.782  -7.436  -8.566
   40   HH12  ARG   5          2HH1      ARG   5  16.575  -5.896  -8.536
   41   HH21  ARG   5          1HH2      ARG   5  14.270  -4.427  -6.355
   42   HH22  ARG   5          2HH2      ARG   5  15.715  -4.186  -7.277
   43    H    ARG   6           H        ARG   6   9.924  -9.318  -5.491
   44    HA   ARG   6           HA       ARG   6   9.558 -12.001  -6.595
   45    HB2  ARG   6           2HB      ARG   6  10.614 -10.898  -4.036
   46    HB3  ARG   6           3HB      ARG   6   9.890 -12.500  -4.003
   47    HG2  ARG   6           2HG      ARG   6  11.975 -11.837  -6.036
   48    HG3  ARG   6           3HG      ARG   6  12.434 -12.255  -4.385
   49    HD2  ARG   6           2HD      ARG   6  11.325 -14.384  -4.562
   50    HD3  ARG   6           3HD      ARG   6  10.677 -13.957  -6.146
   51    HE   ARG   6           HE       ARG   6  13.520 -13.838  -6.110
   52   HH11  ARG   6          1HH1      ARG   6  10.825 -16.034  -6.285
   53   HH12  ARG   6          2HH1      ARG   6  11.708 -17.257  -7.138
   54   HH21  ARG   6          1HH2      ARG   6  14.694 -15.439  -7.232
   55   HH22  ARG   6          2HH2      ARG   6  13.909 -16.917  -7.676
   56    H    LYS   7           H        LYS   7   7.543 -12.699  -6.806
   57    HA   LYS   7           HA       LYS   7   5.521 -11.808  -4.862
   58    HB2  LYS   7           2HB      LYS   7   3.855 -12.428  -6.583
   59    HB3  LYS   7           3HB      LYS   7   4.973 -11.190  -7.141
   60    HG2  LYS   7           2HG      LYS   7   5.029 -12.509  -8.968
   61    HG3  LYS   7           3HG      LYS   7   6.265 -13.351  -8.029
   62    HD2  LYS   7           2HD      LYS   7   4.757 -14.991  -8.897
   63    HD3  LYS   7           3HD      LYS   7   4.467 -14.856  -7.161
   64    HE2  LYS   7           2HE      LYS   7   2.444 -13.768  -7.455
   65    HE3  LYS   7           3HE      LYS   7   2.860 -13.218  -9.077
   66    HZ1  LYS   7           3HZ      LYS   7   1.697 -14.934  -9.825
   67    HZ2  LYS   7           1HZ      LYS   7   1.521 -15.593  -8.277
   68    HZ3  LYS   7           2HZ      LYS   7   2.886 -15.964  -9.205
   69    HA   PRO   8           HA       PRO   8   5.039 -15.869  -3.266
   70    HB2  PRO   8           2HB      PRO   8   2.383 -15.902  -2.704
   71    HB3  PRO   8           3HB      PRO   8   3.553 -14.973  -1.760
   72    HG2  PRO   8           2HG      PRO   8   1.708 -14.050  -3.930
   73    HG3  PRO   8           3HG      PRO   8   2.092 -13.274  -2.382
   74    HD2  PRO   8           2HD      PRO   8   3.217 -12.498  -4.720
   75    HD3  PRO   8           3HD      PRO   8   4.075 -12.400  -3.169
   76    H    LYS   9           H        LYS   9   4.778 -17.865  -4.078
   77    HA   LYS   9           HA       LYS   9   2.762 -18.318  -6.158
   78    HB2  LYS   9           2HB      LYS   9   4.989 -17.839  -7.217
   79    HB3  LYS   9           3HB      LYS   9   5.620 -19.267  -6.408
   80    HG2  LYS   9           2HG      LYS   9   3.288 -20.085  -7.741
   81    HG3  LYS   9           3HG      LYS   9   4.183 -19.067  -8.871
   82    HD2  LYS   9           2HD      LYS   9   6.107 -20.434  -8.728
   83    HD3  LYS   9           3HD      LYS   9   5.485 -21.289  -7.315
   84    HE2  LYS   9           2HE      LYS   9   3.799 -22.366  -8.629
   85    HE3  LYS   9           3HE      LYS   9   4.190 -21.376 -10.035
   86    HZ1  LYS   9           3HZ      LYS   9   6.442 -22.834  -9.010
   87    HZ2  LYS   9           1HZ      LYS   9   5.859 -22.719 -10.594
   88    HZ3  LYS   9           2HZ      LYS   9   5.184 -23.842  -9.525
   89    H    PHE  10           H        PHE  10   5.223 -19.829  -4.084
   90    HA   PHE  10           HA       PHE  10   3.281 -21.853  -3.306
   91    HB2  PHE  10           2HB      PHE  10   4.347 -22.941  -5.173
   92    HB3  PHE  10           3HB      PHE  10   5.945 -22.512  -4.572
   93    HD1  PHE  10           HD2      PHE  10   2.963 -24.037  -2.932
   94    HD2  PHE  10           HD1      PHE  10   7.068 -24.426  -3.987
   95    HE1  PHE  10           HE2      PHE  10   3.071 -26.171  -1.712
   96    HE2  PHE  10           HE1      PHE  10   7.182 -26.561  -2.769
   97    HZ   PHE  10           HZ       PHE  10   5.182 -27.436  -1.628
   98    H    ARG  11           H        ARG  11   3.347 -20.856  -1.270
   99    HA   ARG  11           HA       ARG  11   5.825 -21.366   0.238
  100    HB2  ARG  11           2HB      ARG  11   5.308 -19.391   1.621
  101    HB3  ARG  11           3HB      ARG  11   5.573 -18.968  -0.065
  102    HG2  ARG  11           2HG      ARG  11   2.780 -19.485   0.753
  103    HG3  ARG  11           3HG      ARG  11   3.541 -18.018   1.373
  104    HD2  ARG  11           2HD      ARG  11   4.108 -17.345  -0.906
  105    HD3  ARG  11           3HD      ARG  11   3.368 -18.819  -1.530
  106    HE   ARG  11           HE       ARG  11   2.016 -16.437  -0.634
  107   HH11  ARG  11          1HH1      ARG  11   1.737 -19.852  -1.255
  108   HH12  ARG  11          2HH1      ARG  11   0.018 -19.806  -1.466
  109   HH21  ARG  11          1HH2      ARG  11  -0.247 -16.364  -0.909
  110   HH22  ARG  11          2HH2      ARG  11  -1.110 -17.821  -1.270
  111    H    LYS  12           H        LYS  12   5.615 -22.229   2.277
  112    HA   LYS  12           HA       LYS  12   3.287 -23.758   2.797
  113    HB2  LYS  12           2HB      LYS  12   5.780 -23.168   4.372
  114    HB3  LYS  12           3HB      LYS  12   4.468 -24.112   5.064
  115    HG2  LYS  12           2HG      LYS  12   4.675 -25.733   3.245
  116    HG3  LYS  12           3HG      LYS  12   5.997 -24.786   2.558
  117    HD2  LYS  12           2HD      LYS  12   7.274 -25.118   4.648
  118    HD3  LYS  12           3HD      LYS  12   5.966 -26.134   5.259
  119    HE2  LYS  12           2HE      LYS  12   7.610 -26.660   2.784
  120    HE3  LYS  12           3HE      LYS  12   7.796 -27.473   4.337
  121    HZ1  LYS  12           3HZ      LYS  12   5.256 -27.960   3.933
  122    HZ2  LYS  12           1HZ      LYS  12   6.460 -28.954   3.281
  123    HZ3  LYS  12           2HZ      LYS  12   5.711 -27.787   2.312
  124    H    PHE  13           H        PHE  13   4.758 -21.452   5.069
  125    HA   PHE  13           HA       PHE  13   2.172 -20.908   6.231
  126    HB2  PHE  13           2HB      PHE  13   5.000 -20.259   6.897
  127    HB3  PHE  13           3HB      PHE  13   3.751 -19.193   7.533
  128    HD1  PHE  13           HD2      PHE  13   4.789 -22.752   7.377
  129    HD2  PHE  13           HD1      PHE  13   2.561 -19.773   9.445
  130    HE1  PHE  13           HE2      PHE  13   4.375 -24.339   9.211
  131    HE2  PHE  13           HE1      PHE  13   2.144 -21.355  11.282
  132    HZ   PHE  13           HZ       PHE  13   3.050 -23.642  11.166
  133    H    LYS  14           H        LYS  14   1.909 -18.424   6.864
  134    HA   LYS  14           HA       LYS  14   2.374 -16.777   4.477
  135    HB2  LYS  14           2HB      LYS  14  -0.239 -17.445   5.768
  136    HB3  LYS  14           3HB      LYS  14  -0.028 -15.854   5.050
  137    HG2  LYS  14           2HG      LYS  14   0.729 -18.204   3.411
  138    HG3  LYS  14           3HG      LYS  14  -0.990 -17.911   3.687
  139    HD2  LYS  14           2HD      LYS  14   0.045 -15.411   3.059
  140    HD3  LYS  14           3HD      LYS  14   0.875 -16.516   1.961
  141    HE2  LYS  14           2HE      LYS  14  -1.116 -15.779   0.876
  142    HE3  LYS  14           3HE      LYS  14  -1.360 -17.458   1.354
  143    HZ1  LYS  14           3HZ      LYS  14  -2.316 -15.145   2.946
  144    HZ2  LYS  14           1HZ      LYS  14  -2.695 -16.777   3.178
  145    HZ3  LYS  14           2HZ      LYS  14  -3.272 -15.961   1.814
  146    H    LEU  15           H        LEU  15   2.756 -14.633   4.861
  147    HA   LEU  15           HA       LEU  15   3.510 -12.833   6.036
  148    HB2  LEU  15           2HB      LEU  15   1.023 -13.654   7.471
  149    HB3  LEU  15           3HB      LEU  15   2.002 -12.333   8.106
  150    HG   LEU  15           HG       LEU  15   0.128 -11.515   6.768
  151   HD11  LEU  15          1HD1      LEU  15   1.902 -10.542   4.883
  152   HD12  LEU  15          2HD1      LEU  15   2.923 -10.938   6.265
  153   HD13  LEU  15          3HD1      LEU  15   1.558  -9.839   6.463
  154   HD21  LEU  15          3HD2      LEU  15   1.437 -12.819   4.392
  155   HD22  LEU  15          1HD2      LEU  15  -0.108 -11.972   4.454
  156   HD23  LEU  15          2HD2      LEU  15   0.075 -13.531   5.258
  157    H    TYR  16           H        TYR  16   4.793 -15.312   6.636
  158    HA   TYR  16           HA       TYR  16   5.122 -15.844   9.349
  159    HB2  TYR  16           2HB      TYR  16   7.462 -16.633   8.591
  160    HB3  TYR  16           3HB      TYR  16   6.052 -17.428   7.899
  161    HD1  TYR  16           HD2      TYR  16   8.025 -14.338   7.132
  162    HD2  TYR  16           HD1      TYR  16   6.300 -17.944   5.673
  163    HE1  TYR  16           HE2      TYR  16   8.842 -13.808   4.873
  164    HE2  TYR  16           HE1      TYR  16   7.113 -17.424   3.410
  165    HH   TYR  16           HH       TYR  16   8.238 -15.999   2.140
  166    H    HIS  17           H        HIS  17   7.568 -15.565  10.248
  167    HA   HIS  17           HA       HIS  17   7.826 -12.695  10.642
  168    HB2  HIS  17           2HB      HIS  17   7.822 -14.192  12.600
  169    HB3  HIS  17           3HB      HIS  17   9.269 -14.989  11.989
  170    HD1  HIS  17           HD1      HIS  17  10.889 -14.328  13.795
  171    HD2  HIS  17           HD2      HIS  17   8.860 -11.076  12.192
  172    HE1  HIS  17           HE1      HIS  17  12.013 -12.295  14.756
  173    H    GLU  18           H        GLU  18   8.570 -12.582   8.307
  174    HA   GLU  18           HA       GLU  18  11.466 -12.434   8.307
  175    HB2  GLU  18           2HB      GLU  18  10.241 -14.674   7.190
  176    HB3  GLU  18           3HB      GLU  18  10.591 -13.639   5.813
  177    HG2  GLU  18           2HG      GLU  18  12.845 -13.745   7.593
  178    HG3  GLU  18           3HG      GLU  18  12.337 -15.368   7.130
  179    H    GLY  19           H        GLY  19  11.243 -10.213   8.128
  180    HA2  GLY  19           2HA      GLY  19  11.155  -8.234   6.962
  181    HA3  GLY  19           3HA      GLY  19  10.980  -9.187   5.495
  182    H    LYS  20           H        LYS  20   9.592  -6.756   6.952
  183    HA   LYS  20           HA       LYS  20   6.829  -7.652   6.888
  184    HB2  LYS  20           2HB      LYS  20   8.263  -5.212   7.798
  185    HB3  LYS  20           3HB      LYS  20   6.591  -5.017   7.289
  186    HG2  LYS  20           2HG      LYS  20   5.965  -6.815   8.896
  187    HG3  LYS  20           3HG      LYS  20   7.631  -6.798   9.480
  188    HD2  LYS  20           2HD      LYS  20   6.485  -5.403  10.968
  189    HD3  LYS  20           3HD      LYS  20   7.274  -4.287   9.851
  190    HE2  LYS  20           2HE      LYS  20   4.988  -3.590  10.255
  191    HE3  LYS  20           3HE      LYS  20   5.178  -4.107   8.580
  192    HZ1  LYS  20           3HZ      LYS  20   3.588  -5.599   8.872
  193    HZ2  LYS  20           1HZ      LYS  20   3.344  -5.037  10.449
  194    HZ3  LYS  20           2HZ      LYS  20   4.420  -6.310  10.161
  195    H    PHE  21           H        PHE  21   6.441  -8.121   4.731
  196    HA   PHE  21           HA       PHE  21   5.517  -6.041   3.111
  197    HB2  PHE  21           2HB      PHE  21   8.231  -6.064   2.988
  198    HB3  PHE  21           3HB      PHE  21   7.836  -7.160   1.667
  199    HD1  PHE  21           HD1      PHE  21   5.452  -6.051   0.506
  200    HD2  PHE  21           HD2      PHE  21   8.861  -4.048   2.083
  201    HE1  PHE  21           HE1      PHE  21   4.992  -4.125  -0.955
  202    HE2  PHE  21           HE2      PHE  21   8.406  -2.119   0.625
  203    HZ   PHE  21           HZ       PHE  21   6.470  -2.156  -0.896
  204    H    TRP  22           H        TRP  22   3.811  -7.140   2.397
  205    HA   TRP  22           HA       TRP  22   4.292  -9.615   0.898
  206    HB2  TRP  22           2HB      TRP  22   2.470  -9.240   3.237
  207    HB3  TRP  22           3HB      TRP  22   1.965 -10.317   1.938
  208    HD1  TRP  22           HD1      TRP  22   4.863  -9.905   4.465
  209    HE1  TRP  22           HE1      TRP  22   5.858 -12.234   4.924
  210    HE3  TRP  22           HE3      TRP  22   2.134 -12.631   1.109
  211    HZ2  TRP  22           HZ2      TRP  22   5.530 -14.877   3.988
  212    HZ3  TRP  22           HZ3      TRP  22   2.536 -15.053   0.953
  213    HH2  TRP  22           HH2      TRP  22   4.199 -16.151   2.363
  214    H    CYS  23           H        CYS  23   4.084  -8.132  -0.909
  215    HA   CYS  23           HA       CYS  23   1.564  -8.206  -2.109
  216    HB2  CYS  23           2HB      CYS  23   0.855  -6.507  -0.561
  217    HB3  CYS  23           3HB      CYS  23   2.290  -5.540  -0.886
  218    HA   PRO  24           HA       PRO  24   4.933  -7.619  -5.084
  219    HB2  PRO  24           2HB      PRO  24   3.691  -8.988  -7.073
  220    HB3  PRO  24           3HB      PRO  24   4.586  -9.784  -5.774
  221    HG2  PRO  24           2HG      PRO  24   1.637  -9.359  -6.058
  222    HG3  PRO  24           3HG      PRO  24   2.513 -10.805  -5.522
  223    HD2  PRO  24           2HD      PRO  24   1.333  -9.090  -3.789
  224    HD3  PRO  24           3HD      PRO  24   2.813  -9.986  -3.388
  Start of MODEL   15
    1    H1   THR   1           H        THR   1   1.266   2.485  -4.057
    2    HA   THR   1           HA       THR   1   2.624   2.019  -1.795
    3    HB   THR   1           HB       THR   1   0.188   0.413  -2.594
    4    HG1  THR   1           HG1      THR   1   0.412   2.962  -1.332
    5   HG21  THR   1          3HG2      THR   1   1.582   0.914   0.000
    6   HG22  THR   1          1HG2      THR   1   0.865  -0.572  -0.619
    7   HG23  THR   1          2HG2      THR   1  -0.171   0.721  -0.016
    8    H    CYS   2           H        CYS   2   1.554  -0.682  -3.873
    9    HA   CYS   2           HA       CYS   2   3.472  -2.443  -2.577
   10    HB2  CYS   2           2HB      CYS   2   1.366  -2.955  -4.686
   11    HB3  CYS   2           3HB      CYS   2   2.417  -4.199  -4.016
   12    H    HIS   3           H        HIS   3   5.493  -2.485  -3.286
   13    HA   HIS   3           HA       HIS   3   5.975  -2.544  -6.176
   14    HB2  HIS   3           2HB      HIS   3   6.345  -0.214  -5.201
   15    HB3  HIS   3           3HB      HIS   3   7.707  -0.907  -4.326
   16    HD1  HIS   3           HD1      HIS   3   9.211  -2.479  -6.296
   17    HD2  HIS   3           HD2      HIS   3   7.329   1.071  -7.352
   18    HE1  HIS   3           HE1      HIS   3  10.391  -1.683  -8.369
   19    H    ILE   4           H        ILE   4   6.406  -4.747  -6.032
   20    HA   ILE   4           HA       ILE   4   9.024  -5.383  -4.888
   21    HB   ILE   4           HB       ILE   4   6.564  -7.077  -4.437
   22   HG12  ILE   4          2HG1      ILE   4   6.697  -5.078  -2.983
   23   HG13  ILE   4          3HG1      ILE   4   6.881  -6.575  -2.075
   24   HG21  ILE   4          1HG2      ILE   4   8.268  -8.624  -4.673
   25   HG22  ILE   4          2HG2      ILE   4   9.480  -7.549  -3.977
   26   HG23  ILE   4          3HG2      ILE   4   8.280  -8.316  -2.937
   27   HD11  ILE   4          3HD1      ILE   4   8.861  -5.949  -1.313
   28   HD12  ILE   4          1HD1      ILE   4   9.436  -5.560  -2.934
   29   HD13  ILE   4          2HD1      ILE   4   8.541  -4.358  -2.003
   30    H    ARG   5           H        ARG   5  10.181  -6.920  -6.005
   31    HA   ARG   5           HA       ARG   5   9.155  -7.563  -8.657
   32    HB2  ARG   5           2HB      ARG   5  11.400  -8.005  -9.283
   33    HB3  ARG   5           3HB      ARG   5  11.449  -6.565  -8.274
   34    HG2  ARG   5           2HG      ARG   5  11.951  -8.212  -6.350
   35    HG3  ARG   5           3HG      ARG   5  12.356  -9.342  -7.644
   36    HD2  ARG   5           2HD      ARG   5  13.808  -7.379  -8.538
   37    HD3  ARG   5           3HD      ARG   5  13.677  -6.767  -6.890
   38    HE   ARG   5           HE       ARG   5  14.497  -9.497  -6.955
   39   HH11  ARG   5          1HH1      ARG   5  15.618  -6.223  -7.333
   40   HH12  ARG   5          2HH1      ARG   5  17.251  -6.593  -6.888
   41   HH21  ARG   5          1HH2      ARG   5  16.643  -9.997  -6.368
   42   HH22  ARG   5          2HH2      ARG   5  17.833  -8.740  -6.340
   43    H    ARG   6           H        ARG   6   9.914  -9.091  -5.638
   44    HA   ARG   6           HA       ARG   6   9.629 -11.755  -6.829
   45    HB2  ARG   6           2HB      ARG   6  11.550 -11.542  -5.400
   46    HB3  ARG   6           3HB      ARG   6  10.577 -10.851  -4.109
   47    HG2  ARG   6           2HG      ARG   6  11.156 -13.167  -3.645
   48    HG3  ARG   6           3HG      ARG   6   9.413 -12.970  -3.831
   49    HD2  ARG   6           2HD      ARG   6   9.560 -13.799  -6.123
   50    HD3  ARG   6           3HD      ARG   6  11.306 -13.975  -5.954
   51    HE   ARG   6           HE       ARG   6   9.832 -15.427  -3.971
   52   HH11  ARG   6          1HH1      ARG   6  11.050 -15.506  -7.231
   53   HH12  ARG   6          2HH1      ARG   6  11.099 -17.236  -7.310
   54   HH21  ARG   6          1HH2      ARG   6   9.892 -17.706  -4.063
   55   HH22  ARG   6          2HH2      ARG   6  10.439 -18.486  -5.508
   56    H    LYS   7           H        LYS   7   7.633 -12.531  -6.915
   57    HA   LYS   7           HA       LYS   7   5.706 -11.747  -4.840
   58    HB2  LYS   7           2HB      LYS   7   3.970 -12.457  -6.423
   59    HB3  LYS   7           3HB      LYS   7   5.019 -11.234  -7.126
   60    HG2  LYS   7           2HG      LYS   7   4.871 -12.700  -8.865
   61    HG3  LYS   7           3HG      LYS   7   6.306 -13.327  -8.051
   62    HD2  LYS   7           2HD      LYS   7   5.309 -15.285  -7.708
   63    HD3  LYS   7           3HD      LYS   7   3.950 -14.496  -6.905
   64    HE2  LYS   7           2HE      LYS   7   2.746 -14.286  -8.897
   65    HE3  LYS   7           3HE      LYS   7   4.176 -14.544  -9.895
   66    HZ1  LYS   7           3HZ      LYS   7   4.061 -16.843  -8.542
   67    HZ2  LYS   7           1HZ      LYS   7   3.349 -16.608 -10.059
   68    HZ3  LYS   7           2HZ      LYS   7   2.413 -16.478  -8.657
   69    HA   PRO   8           HA       PRO   8   5.567 -15.785  -3.121
   70    HB2  PRO   8           2HB      PRO   8   2.962 -15.949  -2.378
   71    HB3  PRO   8           3HB      PRO   8   4.138 -14.932  -1.538
   72    HG2  PRO   8           2HG      PRO   8   2.103 -14.169  -3.597
   73    HG3  PRO   8           3HG      PRO   8   2.545 -13.333  -2.097
   74    HD2  PRO   8           2HD      PRO   8   3.465 -12.558  -4.523
   75    HD3  PRO   8           3HD      PRO   8   4.418 -12.373  -3.037
   76    H    LYS   9           H        LYS   9   5.468 -17.765  -3.973
   77    HA   LYS   9           HA       LYS   9   3.328 -18.385  -5.892
   78    HB2  LYS   9           2HB      LYS   9   5.596 -17.844  -6.963
   79    HB3  LYS   9           3HB      LYS   9   6.155 -19.357  -6.261
   80    HG2  LYS   9           2HG      LYS   9   3.713 -19.274  -7.989
   81    HG3  LYS   9           3HG      LYS   9   5.330 -19.353  -8.692
   82    HD2  LYS   9           2HD      LYS   9   5.428 -21.301  -6.767
   83    HD3  LYS   9           3HD      LYS   9   3.763 -21.420  -7.341
   84    HE2  LYS   9           2HE      LYS   9   5.196 -22.892  -8.626
   85    HE3  LYS   9           3HE      LYS   9   4.591 -21.591  -9.649
   86    HZ1  LYS   9           3HZ      LYS   9   6.639 -20.711  -9.898
   87    HZ2  LYS   9           1HZ      LYS   9   7.138 -22.294  -9.566
   88    HZ3  LYS   9           2HZ      LYS   9   7.149 -21.129  -8.340
   89    H    PHE  10           H        PHE  10   6.079 -19.967  -4.254
   90    HA   PHE  10           HA       PHE  10   4.206 -22.049  -3.343
   91    HB2  PHE  10           2HB      PHE  10   6.455 -22.351  -5.064
   92    HB3  PHE  10           3HB      PHE  10   6.840 -23.128  -3.532
   93    HD1  PHE  10           HD2      PHE  10   3.948 -22.879  -5.881
   94    HD2  PHE  10           HD1      PHE  10   6.322 -25.348  -3.354
   95    HE1  PHE  10           HE2      PHE  10   2.613 -24.836  -6.545
   96    HE2  PHE  10           HE1      PHE  10   4.991 -27.310  -4.014
   97    HZ   PHE  10           HZ       PHE  10   3.134 -27.055  -5.611
   98    H    ARG  11           H        ARG  11   3.960 -21.225  -1.290
   99    HA   ARG  11           HA       ARG  11   6.283 -21.537   0.457
  100    HB2  ARG  11           2HB      ARG  11   5.379 -19.413   1.680
  101    HB3  ARG  11           3HB      ARG  11   6.431 -19.235   0.282
  102    HG2  ARG  11           2HG      ARG  11   4.610 -17.673   0.131
  103    HG3  ARG  11           3HG      ARG  11   4.445 -18.893  -1.134
  104    HD2  ARG  11           2HD      ARG  11   2.643 -19.911  -0.096
  105    HD3  ARG  11           3HD      ARG  11   3.064 -19.266   1.490
  106    HE   ARG  11           HE       ARG  11   1.895 -17.350   0.994
  107   HH11  ARG  11          1HH1      ARG  11   2.324 -19.241  -1.898
  108   HH12  ARG  11          2HH1      ARG  11   1.239 -18.278  -2.845
  109   HH21  ARG  11          1HH2      ARG  11   0.464 -16.075  -0.243
  110   HH22  ARG  11          2HH2      ARG  11   0.182 -16.477  -1.903
  111    H    LYS  12           H        LYS  12   5.727 -21.820   2.703
  112    HA   LYS  12           HA       LYS  12   3.093 -23.063   3.007
  113    HB2  LYS  12           2HB      LYS  12   5.653 -23.288   4.586
  114    HB3  LYS  12           3HB      LYS  12   4.133 -23.978   5.140
  115    HG2  LYS  12           2HG      LYS  12   5.295 -24.648   2.457
  116    HG3  LYS  12           3HG      LYS  12   5.747 -25.519   3.924
  117    HD2  LYS  12           2HD      LYS  12   3.165 -25.751   4.239
  118    HD3  LYS  12           3HD      LYS  12   3.118 -25.423   2.505
  119    HE2  LYS  12           2HE      LYS  12   4.467 -27.328   2.031
  120    HE3  LYS  12           3HE      LYS  12   4.830 -27.571   3.739
  121    HZ1  LYS  12           3HZ      LYS  12   2.873 -28.830   2.376
  122    HZ2  LYS  12           1HZ      LYS  12   2.015 -27.583   3.132
  123    HZ3  LYS  12           2HZ      LYS  12   2.926 -28.665   4.059
  124    H    PHE  13           H        PHE  13   5.213 -21.448   5.360
  125    HA   PHE  13           HA       PHE  13   3.068 -20.454   6.896
  126    HB2  PHE  13           2HB      PHE  13   5.928 -19.470   6.815
  127    HB3  PHE  13           3HB      PHE  13   4.764 -19.169   8.101
  128    HD1  PHE  13           HD2      PHE  13   3.656 -21.439   9.029
  129    HD2  PHE  13           HD1      PHE  13   7.484 -21.099   7.199
  130    HE1  PHE  13           HE2      PHE  13   4.378 -23.498  10.165
  131    HE2  PHE  13           HE1      PHE  13   8.212 -23.158   8.332
  132    HZ   PHE  13           HZ       PHE  13   6.659 -24.360   9.818
  133    H    LYS  14           H        LYS  14   1.772 -18.783   6.557
  134    HA   LYS  14           HA       LYS  14   2.430 -16.875   4.447
  135    HB2  LYS  14           2HB      LYS  14  -0.097 -17.628   5.882
  136    HB3  LYS  14           3HB      LYS  14  -0.001 -16.117   4.987
  137    HG2  LYS  14           2HG      LYS  14   0.863 -18.572   3.580
  138    HG3  LYS  14           3HG      LYS  14  -0.863 -18.381   3.898
  139    HD2  LYS  14           2HD      LYS  14   0.847 -16.283   2.569
  140    HD3  LYS  14           3HD      LYS  14  -0.101 -17.483   1.688
  141    HE2  LYS  14           2HE      LYS  14  -2.074 -16.599   3.124
  142    HE3  LYS  14           3HE      LYS  14  -1.035 -15.197   3.380
  143    HZ1  LYS  14           3HZ      LYS  14  -2.646 -15.100   1.448
  144    HZ2  LYS  14           1HZ      LYS  14  -1.640 -16.217   0.671
  145    HZ3  LYS  14           2HZ      LYS  14  -1.038 -14.699   1.111
  146    H    LEU  15           H        LEU  15   2.769 -14.734   4.772
  147    HA   LEU  15           HA       LEU  15   3.435 -12.859   5.882
  148    HB2  LEU  15           2HB      LEU  15   0.960 -13.721   7.311
  149    HB3  LEU  15           3HB      LEU  15   1.878 -12.345   7.918
  150    HG   LEU  15           HG       LEU  15  -0.014 -11.663   6.512
  151   HD11  LEU  15          1HD1      LEU  15   1.386  -9.936   6.294
  152   HD12  LEU  15          2HD1      LEU  15   1.697 -10.575   4.680
  153   HD13  LEU  15          3HD1      LEU  15   2.780 -10.978   6.012
  154   HD21  LEU  15          3HD2      LEU  15  -0.398 -12.406   4.409
  155   HD22  LEU  15          1HD2      LEU  15   0.482 -13.816   4.999
  156   HD23  LEU  15          2HD2      LEU  15   1.317 -12.593   4.042
  157    H    TYR  16           H        TYR  16   4.823 -15.241   6.590
  158    HA   TYR  16           HA       TYR  16   5.132 -15.671   9.322
  159    HB2  TYR  16           2HB      TYR  16   7.525 -16.358   8.626
  160    HB3  TYR  16           3HB      TYR  16   6.169 -17.247   7.940
  161    HD1  TYR  16           HD2      TYR  16   7.986 -14.082   7.101
  162    HD2  TYR  16           HD1      TYR  16   6.485 -17.822   5.737
  163    HE1  TYR  16           HE2      TYR  16   8.810 -13.581   4.838
  164    HE2  TYR  16           HE1      TYR  16   7.306 -17.332   3.471
  165    HH   TYR  16           HH       TYR  16   9.127 -15.870   2.449
  166    H    HIS  17           H        HIS  17   7.536 -15.237  10.261
  167    HA   HIS  17           HA       HIS  17   7.640 -12.348  10.569
  168    HB2  HIS  17           2HB      HIS  17   7.685 -13.785  12.570
  169    HB3  HIS  17           3HB      HIS  17   9.180 -14.523  12.003
  170    HD1  HIS  17           HD1      HIS  17   8.942 -10.878  11.507
  171    HD2  HIS  17           HD2      HIS  17  10.369 -13.496  14.401
  172    HE1  HIS  17           HE1      HIS  17  10.402  -9.488  13.010
  173    H    GLU  18           H        GLU  18   8.415 -12.259   8.244
  174    HA   GLU  18           HA       GLU  18  11.298 -11.958   8.281
  175    HB2  GLU  18           2HB      GLU  18  10.212 -14.290   7.212
  176    HB3  GLU  18           3HB      GLU  18  10.523 -13.276   5.810
  177    HG2  GLU  18           2HG      GLU  18  12.839 -13.049   6.431
  178    HG3  GLU  18           3HG      GLU  18  12.558 -13.941   7.924
  179    H    GLY  19           H        GLY  19  10.975  -9.759   8.031
  180    HA2  GLY  19           2HA      GLY  19  10.793  -7.818   6.814
  181    HA3  GLY  19           3HA      GLY  19  10.699  -8.818   5.371
  182    H    LYS  20           H        LYS  20   9.102  -6.533   7.048
  183    HA   LYS  20           HA       LYS  20   6.417  -7.560   6.822
  184    HB2  LYS  20           2HB      LYS  20   7.685  -5.054   7.792
  185    HB3  LYS  20           3HB      LYS  20   6.018  -4.943   7.243
  186    HG2  LYS  20           2HG      LYS  20   5.519  -6.871   8.805
  187    HG3  LYS  20           3HG      LYS  20   7.128  -6.609   9.481
  188    HD2  LYS  20           2HD      LYS  20   5.258  -4.296   9.222
  189    HD3  LYS  20           3HD      LYS  20   5.030  -5.448  10.541
  190    HE2  LYS  20           2HE      LYS  20   7.323  -5.068  11.279
  191    HE3  LYS  20           3HE      LYS  20   7.579  -3.948   9.942
  192    HZ1  LYS  20           3HZ      LYS  20   6.123  -3.562  12.433
  193    HZ2  LYS  20           1HZ      LYS  20   5.449  -2.850  11.055
  194    HZ3  LYS  20           2HZ      LYS  20   7.026  -2.458  11.524
  195    H    PHE  21           H        PHE  21   6.105  -8.028   4.650
  196    HA   PHE  21           HA       PHE  21   5.074  -5.993   3.038
  197    HB2  PHE  21           2HB      PHE  21   7.790  -5.840   2.967
  198    HB3  PHE  21           3HB      PHE  21   7.485  -6.932   1.619
  199    HD1  PHE  21           HD2      PHE  21   5.197  -6.023   0.286
  200    HD2  PHE  21           HD1      PHE  21   8.161  -3.698   2.267
  201    HE1  PHE  21           HE2      PHE  21   4.640  -4.100  -1.144
  202    HE2  PHE  21           HE1      PHE  21   7.608  -1.771   0.840
  203    HZ   PHE  21           HZ       PHE  21   5.847  -1.971  -0.869
  204    H    TRP  22           H        TRP  22   3.447  -7.235   2.352
  205    HA   TRP  22           HA       TRP  22   4.126  -9.644   0.813
  206    HB2  TRP  22           2HB      TRP  22   2.239  -9.403   3.117
  207    HB3  TRP  22           3HB      TRP  22   1.822 -10.496   1.800
  208    HD1  TRP  22           HD1      TRP  22   4.719  -9.917   4.307
  209    HE1  TRP  22           HE1      TRP  22   5.814 -12.195   4.793
  210    HE3  TRP  22           HE3      TRP  22   2.041 -12.815   1.056
  211    HZ2  TRP  22           HZ2      TRP  22   5.575 -14.867   3.914
  212    HZ3  TRP  22           HZ3      TRP  22   2.536 -15.222   0.939
  213    HH2  TRP  22           HH2      TRP  22   4.267 -16.225   2.339
  214    H    CYS  23           H        CYS  23   3.862  -8.169  -0.991
  215    HA   CYS  23           HA       CYS  23   1.377  -8.394  -2.245
  216    HB2  CYS  23           2HB      CYS  23   0.531  -6.749  -0.707
  217    HB3  CYS  23           3HB      CYS  23   1.911  -5.694  -0.996
  218    HA   PRO  24           HA       PRO  24   4.765  -7.587  -5.146
  219    HB2  PRO  24           2HB      PRO  24   3.653  -9.022  -7.164
  220    HB3  PRO  24           3HB      PRO  24   4.569  -9.766  -5.848
  221    HG2  PRO  24           2HG      PRO  24   1.605  -9.525  -6.194
  222    HG3  PRO  24           3HG      PRO  24   2.558 -10.916  -5.643
  223    HD2  PRO  24           2HD      PRO  24   1.238  -9.285  -3.932
  224    HD3  PRO  24           3HD      PRO  24   2.762 -10.088  -3.502
  Start of MODEL   16
    1    H1   THR   1           H        THR   1   3.682   1.715   0.661
    2    HA   THR   1           HA       THR   1   3.403   1.207  -2.008
    3    HB   THR   1           HB       THR   1   6.131   1.104  -0.746
    4    HG1  THR   1           HG1      THR   1   5.969   3.155  -0.157
    5   HG21  THR   1          3HG2      THR   1   5.158   2.525  -3.222
    6   HG22  THR   1          1HG2      THR   1   5.824   0.893  -3.230
    7   HG23  THR   1          2HG2      THR   1   6.828   2.252  -2.725
    8    H    CYS   2           H        CYS   2   3.634  -0.480  -3.348
    9    HA   CYS   2           HA       CYS   2   4.784  -2.962  -2.250
   10    HB2  CYS   2           2HB      CYS   2   2.457  -2.672  -4.162
   11    HB3  CYS   2           3HB      CYS   2   3.177  -4.202  -3.671
   12    H    HIS   3           H        HIS   3   6.366  -3.895  -3.391
   13    HA   HIS   3           HA       HIS   3   7.176  -2.635  -5.893
   14    HB2  HIS   3           2HB      HIS   3   8.722  -3.225  -3.870
   15    HB3  HIS   3           3HB      HIS   3   8.698  -4.847  -4.554
   16    HD1  HIS   3           HD1      HIS   3   8.693  -3.686  -7.578
   17    HD2  HIS   3           HD2      HIS   3  11.409  -2.853  -4.548
   18    HE1  HIS   3           HE1      HIS   3  10.795  -2.950  -8.744
   19    H    ILE   4           H        ILE   4   6.811  -3.505  -7.822
   20    HA   ILE   4           HA       ILE   4   5.653  -6.179  -7.964
   21    HB   ILE   4           HB       ILE   4   5.975  -4.148 -10.176
   22   HG12  ILE   4          2HG1      ILE   4   3.355  -4.095  -9.693
   23   HG13  ILE   4          3HG1      ILE   4   3.893  -4.532  -8.075
   24   HG21  ILE   4          1HG2      ILE   4   5.278  -6.875 -10.222
   25   HG22  ILE   4          2HG2      ILE   4   3.794  -5.966 -10.506
   26   HG23  ILE   4          3HG2      ILE   4   5.197  -5.712 -11.545
   27   HD11  ILE   4          3HD1      ILE   4   3.584  -2.028  -8.793
   28   HD12  ILE   4          1HD1      ILE   4   4.893  -2.517  -7.717
   29   HD13  ILE   4          2HD1      ILE   4   5.213  -2.245  -9.431
   30    H    ARG   5           H        ARG   5   7.834  -7.069  -7.399
   31    HA   ARG   5           HA       ARG   5   9.418  -7.441  -9.855
   32    HB2  ARG   5           2HB      ARG   5  11.381  -7.806  -8.254
   33    HB3  ARG   5           3HB      ARG   5  10.831  -6.152  -8.490
   34    HG2  ARG   5           2HG      ARG   5   9.899  -6.020  -6.378
   35    HG3  ARG   5           3HG      ARG   5   9.777  -7.773  -6.213
   36    HD2  ARG   5           2HD      ARG   5  11.547  -6.861  -4.794
   37    HD3  ARG   5           3HD      ARG   5  12.200  -7.936  -6.029
   38    HE   ARG   5           HE       ARG   5  12.408  -5.492  -7.167
   39   HH11  ARG   5          1HH1      ARG   5  13.406  -6.794  -4.097
   40   HH12  ARG   5          2HH1      ARG   5  14.776  -5.744  -3.950
   41   HH21  ARG   5          1HH2      ARG   5  14.209  -4.105  -6.985
   42   HH22  ARG   5          2HH2      ARG   5  15.232  -4.214  -5.593
   43    H    ARG   6           H        ARG   6   8.259  -8.831  -6.833
   44    HA   ARG   6           HA       ARG   6   8.217 -11.457  -8.052
   45    HB2  ARG   6           2HB      ARG   6  10.432 -11.549  -7.181
   46    HB3  ARG   6           3HB      ARG   6   9.938 -10.814  -5.662
   47    HG2  ARG   6           2HG      ARG   6   8.836 -12.776  -4.956
   48    HG3  ARG   6           3HG      ARG   6   8.920 -13.489  -6.568
   49    HD2  ARG   6           2HD      ARG   6  11.163 -13.996  -6.371
   50    HD3  ARG   6           3HD      ARG   6  11.441 -12.754  -5.151
   51    HE   ARG   6           HE       ARG   6  10.834 -14.254  -3.522
   52   HH11  ARG   6          1HH1      ARG   6   9.957 -15.509  -6.648
   53   HH12  ARG   6          2HH1      ARG   6   9.556 -17.084  -6.048
   54   HH21  ARG   6          1HH2      ARG   6  10.310 -16.323  -2.720
   55   HH22  ARG   6          2HH2      ARG   6   9.756 -17.546  -3.813
   56    H    LYS   7           H        LYS   7   6.525 -12.624  -7.353
   57    HA   LYS   7           HA       LYS   7   5.013 -11.565  -5.060
   58    HB2  LYS   7           2HB      LYS   7   3.130 -12.975  -6.184
   59    HB3  LYS   7           3HB      LYS   7   3.562 -11.410  -6.860
   60    HG2  LYS   7           2HG      LYS   7   4.958 -13.807  -7.913
   61    HG3  LYS   7           3HG      LYS   7   3.271 -13.556  -8.368
   62    HD2  LYS   7           2HD      LYS   7   4.205 -11.086  -8.804
   63    HD3  LYS   7           3HD      LYS   7   5.688 -12.001  -9.082
   64    HE2  LYS   7           2HE      LYS   7   3.054 -12.622 -10.407
   65    HE3  LYS   7           3HE      LYS   7   4.296 -11.598 -11.125
   66    HZ1  LYS   7           3HZ      LYS   7   4.214 -14.478 -10.838
   67    HZ2  LYS   7           1HZ      LYS   7   5.712 -13.771 -10.493
   68    HZ3  LYS   7           2HZ      LYS   7   4.990 -13.527 -12.002
   69    HA   PRO   8           HA       PRO   8   5.494 -15.281  -2.777
   70    HB2  PRO   8           2HB      PRO   8   3.055 -15.562  -1.619
   71    HB3  PRO   8           3HB      PRO   8   4.213 -14.319  -1.131
   72    HG2  PRO   8           2HG      PRO   8   1.834 -14.089  -2.934
   73    HG3  PRO   8           3HG      PRO   8   2.384 -12.984  -1.661
   74    HD2  PRO   8           2HD      PRO   8   2.858 -12.530  -4.288
   75    HD3  PRO   8           3HD      PRO   8   3.983 -12.020  -3.013
   76    H    LYS   9           H        LYS   9   5.509 -17.371  -3.313
   77    HA   LYS   9           HA       LYS   9   3.168 -18.694  -4.349
   78    HB2  LYS   9           2HB      LYS   9   4.133 -19.412  -6.448
   79    HB3  LYS   9           3HB      LYS   9   4.134 -17.654  -6.381
   80    HG2  LYS   9           2HG      LYS   9   6.296 -17.662  -6.836
   81    HG3  LYS   9           3HG      LYS   9   6.600 -18.513  -5.320
   82    HD2  LYS   9           2HD      LYS   9   5.928 -20.627  -6.671
   83    HD3  LYS   9           3HD      LYS   9   6.264 -19.620  -8.082
   84    HE2  LYS   9           2HE      LYS   9   8.414 -19.245  -6.311
   85    HE3  LYS   9           3HE      LYS   9   8.094 -20.978  -6.335
   86    HZ1  LYS   9           3HZ      LYS   9   9.458 -19.496  -8.231
   87    HZ2  LYS   9           1HZ      LYS   9   7.995 -19.935  -8.960
   88    HZ3  LYS   9           2HZ      LYS   9   9.016 -21.127  -8.327
   89    H    PHE  10           H        PHE  10   3.244 -20.907  -4.095
   90    HA   PHE  10           HA       PHE  10   3.861 -22.846  -3.070
   91    HB2  PHE  10           2HB      PHE  10   5.410 -22.697  -5.111
   92    HB3  PHE  10           3HB      PHE  10   6.667 -22.224  -3.972
   93    HD1  PHE  10           HD1      PHE  10   4.244 -24.922  -4.744
   94    HD2  PHE  10           HD2      PHE  10   7.858 -23.832  -2.779
   95    HE1  PHE  10           HE1      PHE  10   4.694 -27.293  -4.267
   96    HE2  PHE  10           HE2      PHE  10   8.315 -26.202  -2.299
   97    HZ   PHE  10           HZ       PHE  10   6.733 -27.936  -3.043
   98    H    ARG  11           H        ARG  11   3.532 -21.159  -1.146
   99    HA   ARG  11           HA       ARG  11   5.942 -21.333   0.542
  100    HB2  ARG  11           2HB      ARG  11   5.167 -19.352   1.728
  101    HB3  ARG  11           3HB      ARG  11   5.327 -19.011   0.011
  102    HG2  ARG  11           2HG      ARG  11   2.674 -19.851   1.068
  103    HG3  ARG  11           3HG      ARG  11   3.236 -18.203   1.359
  104    HD2  ARG  11           2HD      ARG  11   3.781 -18.372  -1.247
  105    HD3  ARG  11           3HD      ARG  11   2.457 -19.534  -1.172
  106    HE   ARG  11           HE       ARG  11   1.898 -17.012   0.105
  107   HH11  ARG  11          1HH1      ARG  11   1.807 -18.824  -2.866
  108   HH12  ARG  11          2HH1      ARG  11   0.557 -17.853  -3.572
  109   HH21  ARG  11          1HH2      ARG  11   0.252 -15.727  -0.813
  110   HH22  ARG  11          2HH2      ARG  11  -0.326 -16.091  -2.403
  111    H    LYS  12           H        LYS  12   5.706 -21.998   2.673
  112    HA   LYS  12           HA       LYS  12   3.443 -23.714   3.166
  113    HB2  LYS  12           2HB      LYS  12   5.568 -24.564   3.832
  114    HB3  LYS  12           3HB      LYS  12   5.950 -23.097   4.724
  115    HG2  LYS  12           2HG      LYS  12   4.729 -23.711   6.533
  116    HG3  LYS  12           3HG      LYS  12   3.548 -24.604   5.573
  117    HD2  LYS  12           2HD      LYS  12   4.651 -26.321   6.642
  118    HD3  LYS  12           3HD      LYS  12   5.563 -26.214   5.134
  119    HE2  LYS  12           2HE      LYS  12   7.015 -24.515   6.523
  120    HE3  LYS  12           3HE      LYS  12   6.335 -25.391   7.893
  121    HZ1  LYS  12           3HZ      LYS  12   7.342 -27.097   5.803
  122    HZ2  LYS  12           1HZ      LYS  12   7.600 -27.165   7.474
  123    HZ3  LYS  12           2HZ      LYS  12   8.533 -26.130   6.516
  124    H    PHE  13           H        PHE  13   4.983 -21.407   5.392
  125    HA   PHE  13           HA       PHE  13   2.401 -20.863   6.600
  126    HB2  PHE  13           2HB      PHE  13   5.245 -20.222   7.307
  127    HB3  PHE  13           3HB      PHE  13   3.929 -19.339   8.075
  128    HD1  PHE  13           HD1      PHE  13   2.095 -20.748   9.210
  129    HD2  PHE  13           HD2      PHE  13   5.938 -22.253   8.168
  130    HE1  PHE  13           HE1      PHE  13   1.817 -22.574  10.836
  131    HE2  PHE  13           HE2      PHE  13   5.666 -24.081   9.792
  132    HZ   PHE  13           HZ       PHE  13   3.603 -24.244  11.128
  133    H    LYS  14           H        LYS  14   1.378 -18.883   6.657
  134    HA   LYS  14           HA       LYS  14   2.204 -17.005   4.565
  135    HB2  LYS  14           2HB      LYS  14  -0.419 -17.481   5.973
  136    HB3  LYS  14           3HB      LYS  14  -0.142 -16.074   4.955
  137    HG2  LYS  14           2HG      LYS  14   0.232 -18.889   3.975
  138    HG3  LYS  14           3HG      LYS  14  -1.304 -18.027   3.869
  139    HD2  LYS  14           2HD      LYS  14   1.125 -16.663   2.837
  140    HD3  LYS  14           3HD      LYS  14   0.469 -18.002   1.892
  141    HE2  LYS  14           2HE      LYS  14  -1.223 -15.712   2.861
  142    HE3  LYS  14           3HE      LYS  14  -0.375 -15.679   1.315
  143    HZ1  LYS  14           3HZ      LYS  14  -1.572 -17.898   0.913
  144    HZ2  LYS  14           1HZ      LYS  14  -2.462 -16.467   0.766
  145    HZ3  LYS  14           2HZ      LYS  14  -2.605 -17.412   2.162
  146    H    LEU  15           H        LEU  15   2.603 -14.866   4.955
  147    HA   LEU  15           HA       LEU  15   3.377 -13.075   6.132
  148    HB2  LEU  15           2HB      LEU  15   0.897 -13.886   7.591
  149    HB3  LEU  15           3HB      LEU  15   1.885 -12.562   8.206
  150    HG   LEU  15           HG       LEU  15   0.013 -11.730   6.892
  151   HD11  LEU  15          1HD1      LEU  15   1.421 -10.072   6.461
  152   HD12  LEU  15          2HD1      LEU  15   1.806 -10.868   4.936
  153   HD13  LEU  15          3HD1      LEU  15   2.789 -11.182   6.366
  154   HD21  LEU  15          3HD2      LEU  15   0.115 -13.874   5.390
  155   HD22  LEU  15          1HD2      LEU  15   1.180 -12.877   4.399
  156   HD23  LEU  15          2HD2      LEU  15  -0.468 -12.345   4.731
  157    H    TYR  16           H        TYR  16   4.608 -15.603   6.733
  158    HA   TYR  16           HA       TYR  16   4.959 -16.102   9.451
  159    HB2  TYR  16           2HB      TYR  16   7.258 -16.984   8.674
  160    HB3  TYR  16           3HB      TYR  16   5.813 -17.738   8.009
  161    HD1  TYR  16           HD1      TYR  16   7.888 -14.732   7.178
  162    HD2  TYR  16           HD2      TYR  16   6.010 -18.288   5.786
  163    HE1  TYR  16           HE1      TYR  16   8.697 -14.262   4.904
  164    HE2  TYR  16           HE2      TYR  16   6.815 -17.828   3.508
  165    HH   TYR  16           HH       TYR  16   8.360 -14.809   2.680
  166    H    HIS  17           H        HIS  17   7.446 -15.892  10.286
  167    HA   HIS  17           HA       HIS  17   7.806 -13.018  10.607
  168    HB2  HIS  17           2HB      HIS  17   7.737 -14.437  12.617
  169    HB3  HIS  17           3HB      HIS  17   9.141 -15.328  12.035
  170    HD1  HIS  17           HD1      HIS  17  11.285 -14.554  12.977
  171    HD2  HIS  17           HD2      HIS  17   8.440 -11.526  12.938
  172    HE1  HIS  17           HE1      HIS  17  12.389 -12.580  14.077
  173    H    GLU  18           H        GLU  18   8.558 -12.999   8.279
  174    HA   GLU  18           HA       GLU  18  11.459 -13.003   8.277
  175    HB2  GLU  18           2HB      GLU  18  10.147 -15.207   7.232
  176    HB3  GLU  18           3HB      GLU  18  10.467 -14.216   5.816
  177    HG2  GLU  18           2HG      GLU  18  12.848 -14.124   6.463
  178    HG3  GLU  18           3HG      GLU  18  12.494 -15.210   7.805
  179    H    GLY  19           H        GLY  19  11.417 -10.791   8.026
  180    HA2  GLY  19           2HA      GLY  19  11.361  -8.808   6.872
  181    HA3  GLY  19           3HA      GLY  19  11.249  -9.776   5.409
  182    H    LYS  20           H        LYS  20   9.603  -7.721   7.566
  183    HA   LYS  20           HA       LYS  20   6.931  -8.454   7.026
  184    HB2  LYS  20           2HB      LYS  20   8.103  -6.715   8.737
  185    HB3  LYS  20           3HB      LYS  20   7.502  -5.594   7.522
  186    HG2  LYS  20           2HG      LYS  20   5.637  -7.664   8.543
  187    HG3  LYS  20           3HG      LYS  20   6.049  -6.314   9.604
  188    HD2  LYS  20           2HD      LYS  20   5.449  -4.791   7.669
  189    HD3  LYS  20           3HD      LYS  20   4.765  -6.217   6.883
  190    HE2  LYS  20           2HE      LYS  20   3.965  -5.284   9.633
  191    HE3  LYS  20           3HE      LYS  20   3.129  -4.795   8.160
  192    HZ1  LYS  20           3HZ      LYS  20   3.509  -7.648   8.471
  193    HZ2  LYS  20           1HZ      LYS  20   2.147  -6.785   7.958
  194    HZ3  LYS  20           2HZ      LYS  20   2.477  -6.941   9.609
  195    H    PHE  21           H        PHE  21   6.659  -8.784   4.822
  196    HA   PHE  21           HA       PHE  21   5.884  -6.528   3.308
  197    HB2  PHE  21           2HB      PHE  21   8.576  -6.796   3.219
  198    HB3  PHE  21           3HB      PHE  21   8.117  -7.832   1.871
  199    HD1  PHE  21           HD1      PHE  21   6.054  -6.626   0.469
  200    HD2  PHE  21           HD2      PHE  21   9.214  -4.702   2.573
  201    HE1  PHE  21           HE1      PHE  21   5.800  -4.646  -0.969
  202    HE2  PHE  21           HE2      PHE  21   8.965  -2.718   1.139
  203    HZ   PHE  21           HZ       PHE  21   7.256  -2.688  -0.634
  204    H    TRP  22           H        TRP  22   4.055  -7.492   2.659
  205    HA   TRP  22           HA       TRP  22   4.316  -9.900   0.998
  206    HB2  TRP  22           2HB      TRP  22   2.508  -9.480   3.351
  207    HB3  TRP  22           3HB      TRP  22   1.978 -10.504   2.020
  208    HD1  TRP  22           HD1      TRP  22   4.821 -10.290   4.628
  209    HE1  TRP  22           HE1      TRP  22   5.703 -12.672   5.046
  210    HE3  TRP  22           HE3      TRP  22   2.083 -12.798   1.114
  211    HZ2  TRP  22           HZ2      TRP  22   5.293 -15.270   4.021
  212    HZ3  TRP  22           HZ3      TRP  22   2.387 -15.230   0.897
  213    HH2  TRP  22           HH2      TRP  22   3.960 -16.438   2.320
  214    H    CYS  23           H        CYS  23   4.217  -8.308  -0.726
  215    HA   CYS  23           HA       CYS  23   1.690  -8.110  -1.895
  216    HB2  CYS  23           2HB      CYS  23   1.160  -6.444  -0.226
  217    HB3  CYS  23           3HB      CYS  23   2.648  -5.567  -0.569
  218    HA   PRO  24           HA       PRO  24   5.068  -7.641  -4.880
  219    HB2  PRO  24           2HB      PRO  24   3.697  -8.788  -6.923
  220    HB3  PRO  24           3HB      PRO  24   4.534  -9.727  -5.681
  221    HG2  PRO  24           2HG      PRO  24   1.628  -9.043  -5.901
  222    HG3  PRO  24           3HG      PRO  24   2.384 -10.584  -5.457
  223    HD2  PRO  24           2HD      PRO  24   1.369  -8.875  -3.618
  224    HD3  PRO  24           3HD      PRO  24   2.771  -9.912  -3.286
  Start of MODEL   17
    1    H1   THR   1           H        THR   1   3.108   0.791   0.455
    2    HA   THR   1           HA       THR   1   2.208   0.968  -2.347
    3    HB   THR   1           HB       THR   1   4.493   1.479  -3.028
    4    HG1  THR   1           HG1      THR   1   6.117   1.309  -1.669
    5   HG21  THR   1          3HG2      THR   1   3.592   3.335  -0.823
    6   HG22  THR   1          1HG2      THR   1   2.965   3.338  -2.470
    7   HG23  THR   1          2HG2      THR   1   4.654   3.744  -2.169
    8    H    CYS   2           H        CYS   2   2.973  -0.634  -3.781
    9    HA   CYS   2           HA       CYS   2   4.045  -3.038  -2.454
   10    HB2  CYS   2           2HB      CYS   2   2.046  -2.862  -4.718
   11    HB3  CYS   2           3HB      CYS   2   2.767  -4.359  -4.137
   12    H    HIS   3           H        HIS   3   5.978  -1.522  -3.256
   13    HA   HIS   3           HA       HIS   3   6.656  -1.983  -6.039
   14    HB2  HIS   3           2HB      HIS   3   7.174   0.158  -4.756
   15    HB3  HIS   3           3HB      HIS   3   8.429  -0.759  -3.927
   16    HD1  HIS   3           HD1      HIS   3  10.560   0.059  -4.892
   17    HD2  HIS   3           HD2      HIS   3   7.698  -0.648  -7.820
   18    HE1  HIS   3           HE1      HIS   3  11.734   0.433  -7.084
   19    H    ILE   4           H        ILE   4   6.912  -4.208  -6.195
   20    HA   ILE   4           HA       ILE   4   9.475  -5.226  -5.663
   21    HB   ILE   4           HB       ILE   4   8.715  -5.347  -3.344
   22   HG12  ILE   4          2HG1      ILE   4   9.080  -7.793  -2.989
   23   HG13  ILE   4          3HG1      ILE   4   8.924  -8.030  -4.727
   24   HG21  ILE   4          1HG2      ILE   4   6.724  -7.453  -3.867
   25   HG22  ILE   4          2HG2      ILE   4   6.728  -6.165  -2.663
   26   HG23  ILE   4          3HG2      ILE   4   6.249  -5.818  -4.324
   27   HD11  ILE   4          3HD1      ILE   4  11.241  -7.469  -3.281
   28   HD12  ILE   4          1HD1      ILE   4  11.052  -7.525  -5.034
   29   HD13  ILE   4          2HD1      ILE   4  10.867  -5.995  -4.175
   30    H    ARG   5           H        ARG   5   9.863  -6.843  -7.048
   31    HA   ARG   5           HA       ARG   5   7.693  -7.815  -8.686
   32    HB2  ARG   5           2HB      ARG   5   9.443  -8.883 -10.013
   33    HB3  ARG   5           3HB      ARG   5   9.841  -7.199  -9.701
   34    HG2  ARG   5           2HG      ARG   5  11.329  -7.942  -7.864
   35    HG3  ARG   5           3HG      ARG   5  10.996  -9.613  -8.324
   36    HD2  ARG   5           2HD      ARG   5  13.118  -8.716  -9.259
   37    HD3  ARG   5           3HD      ARG   5  11.980  -9.277 -10.484
   38    HE   ARG   5           HE       ARG   5  11.762  -6.470  -9.935
   39   HH11  ARG   5          1HH1      ARG   5  13.475  -8.891 -11.759
   40   HH12  ARG   5          2HH1      ARG   5  13.948  -7.796 -13.016
   41   HH21  ARG   5          1HH2      ARG   5  12.378  -5.019 -11.584
   42   HH22  ARG   5          2HH2      ARG   5  13.324  -5.594 -12.915
   43    H    ARG   6           H        ARG   6   9.880  -9.092  -6.242
   44    HA   ARG   6           HA       ARG   6   9.440 -11.808  -6.517
   45    HB2  ARG   6           2HB      ARG   6  10.127 -10.040  -4.212
   46    HB3  ARG   6           3HB      ARG   6   9.697 -11.714  -3.883
   47    HG2  ARG   6           2HG      ARG   6  11.759 -11.085  -5.948
   48    HG3  ARG   6           3HG      ARG   6  12.180 -11.062  -4.234
   49    HD2  ARG   6           2HD      ARG   6  10.722 -13.407  -5.373
   50    HD3  ARG   6           3HD      ARG   6  12.459 -13.250  -5.632
   51    HE   ARG   6           HE       ARG   6  11.158 -14.023  -3.224
   52   HH11  ARG   6          1HH1      ARG   6  13.920 -12.305  -4.465
   53   HH12  ARG   6          2HH1      ARG   6  14.891 -12.587  -3.058
   54   HH21  ARG   6          1HH2      ARG   6  12.427 -14.401  -1.367
   55   HH22  ARG   6          2HH2      ARG   6  14.041 -13.781  -1.297
   56    H    LYS   7           H        LYS   7   7.442 -12.593  -6.876
   57    HA   LYS   7           HA       LYS   7   5.300 -11.844  -5.001
   58    HB2  LYS   7           2HB      LYS   7   3.733 -12.645  -6.715
   59    HB3  LYS   7           3HB      LYS   7   4.777 -11.373  -7.338
   60    HG2  LYS   7           2HG      LYS   7   4.844 -12.848  -9.074
   61    HG3  LYS   7           3HG      LYS   7   6.234 -13.405  -8.140
   62    HD2  LYS   7           2HD      LYS   7   5.309 -15.418  -7.968
   63    HD3  LYS   7           3HD      LYS   7   3.923 -14.711  -7.132
   64    HE2  LYS   7           2HE      LYS   7   3.134 -15.921  -9.051
   65    HE3  LYS   7           3HE      LYS   7   2.921 -14.195  -9.343
   66    HZ1  LYS   7           3HZ      LYS   7   4.587 -14.162 -10.901
   67    HZ2  LYS   7           1HZ      LYS   7   3.937 -15.701 -11.171
   68    HZ3  LYS   7           2HZ      LYS   7   5.366 -15.530 -10.283
   69    HA   PRO   8           HA       PRO   8   5.203 -15.875  -3.265
   70    HB2  PRO   8           2HB      PRO   8   2.555 -16.153  -2.733
   71    HB3  PRO   8           3HB      PRO   8   3.613 -15.080  -1.809
   72    HG2  PRO   8           2HG      PRO   8   1.719 -14.420  -4.033
   73    HG3  PRO   8           3HG      PRO   8   2.001 -13.556  -2.509
   74    HD2  PRO   8           2HD      PRO   8   3.079 -12.754  -4.860
   75    HD3  PRO   8           3HD      PRO   8   3.900 -12.518  -3.303
   76    H    LYS   9           H        LYS   9   5.268 -17.859  -4.112
   77    HA   LYS   9           HA       LYS   9   3.295 -18.608  -6.155
   78    HB2  LYS   9           2HB      LYS   9   5.507 -17.901  -7.170
   79    HB3  LYS   9           3HB      LYS   9   6.226 -19.294  -6.373
   80    HG2  LYS   9           2HG      LYS   9   4.020 -20.319  -7.714
   81    HG3  LYS   9           3HG      LYS   9   4.723 -19.147  -8.831
   82    HD2  LYS   9           2HD      LYS   9   6.822 -20.243  -8.803
   83    HD3  LYS   9           3HD      LYS   9   6.367 -21.234  -7.415
   84    HE2  LYS   9           2HE      LYS   9   5.251 -22.724  -8.687
   85    HE3  LYS   9           3HE      LYS   9   4.616 -21.483  -9.766
   86    HZ1  LYS   9           3HZ      LYS   9   6.054 -22.625 -11.125
   87    HZ2  LYS   9           1HZ      LYS   9   7.180 -22.920  -9.896
   88    HZ3  LYS   9           2HZ      LYS   9   7.056 -21.376 -10.577
   89    H    PHE  10           H        PHE  10   5.771 -19.686  -3.869
   90    HA   PHE  10           HA       PHE  10   4.109 -21.986  -3.210
   91    HB2  PHE  10           2HB      PHE  10   5.916 -22.534  -5.020
   92    HB3  PHE  10           3HB      PHE  10   7.032 -22.478  -3.660
   93    HD1  PHE  10           HD2      PHE  10   3.822 -24.049  -4.704
   94    HD2  PHE  10           HD1      PHE  10   7.401 -24.388  -2.425
   95    HE1  PHE  10           HE2      PHE  10   3.237 -26.371  -4.136
   96    HE2  PHE  10           HE1      PHE  10   6.822 -26.710  -1.855
   97    HZ   PHE  10           HZ       PHE  10   4.737 -27.704  -2.710
   98    H    ARG  11           H        ARG  11   3.758 -21.480  -1.130
   99    HA   ARG  11           HA       ARG  11   6.025 -21.510   0.678
  100    HB2  ARG  11           2HB      ARG  11   4.911 -19.435   1.849
  101    HB3  ARG  11           3HB      ARG  11   6.063 -19.214   0.538
  102    HG2  ARG  11           2HG      ARG  11   4.147 -17.749   0.273
  103    HG3  ARG  11           3HG      ARG  11   4.222 -18.928  -1.038
  104    HD2  ARG  11           2HD      ARG  11   2.433 -20.168  -0.178
  105    HD3  ARG  11           3HD      ARG  11   2.567 -19.421   1.414
  106    HE   ARG  11           HE       ARG  11   1.939 -17.328  -0.148
  107   HH11  ARG  11          1HH1      ARG  11   0.553 -20.505   0.179
  108   HH12  ARG  11          2HH1      ARG  11  -1.050 -19.991  -0.233
  109   HH21  ARG  11          1HH2      ARG  11  -0.167 -16.639  -0.691
  110   HH22  ARG  11          2HH2      ARG  11  -1.458 -17.791  -0.729
  111    H    LYS  12           H        LYS  12   5.406 -21.815   2.906
  112    HA   LYS  12           HA       LYS  12   2.848 -23.221   3.121
  113    HB2  LYS  12           2HB      LYS  12   5.444 -23.340   4.597
  114    HB3  LYS  12           3HB      LYS  12   3.978 -23.842   5.428
  115    HG2  LYS  12           2HG      LYS  12   3.540 -25.481   3.670
  116    HG3  LYS  12           3HG      LYS  12   5.015 -24.979   2.839
  117    HD2  LYS  12           2HD      LYS  12   5.078 -25.922   5.687
  118    HD3  LYS  12           3HD      LYS  12   5.105 -27.068   4.344
  119    HE2  LYS  12           2HE      LYS  12   7.007 -24.791   4.255
  120    HE3  LYS  12           3HE      LYS  12   7.327 -26.076   5.419
  121    HZ1  LYS  12           3HZ      LYS  12   8.200 -27.241   3.769
  122    HZ2  LYS  12           1HZ      LYS  12   7.765 -26.066   2.632
  123    HZ3  LYS  12           2HZ      LYS  12   6.685 -27.308   3.019
  124    H    PHE  13           H        PHE  13   4.746 -21.432   5.537
  125    HA   PHE  13           HA       PHE  13   2.406 -20.519   6.878
  126    HB2  PHE  13           2HB      PHE  13   5.332 -19.835   7.148
  127    HB3  PHE  13           3HB      PHE  13   4.092 -19.078   8.143
  128    HD1  PHE  13           HD1      PHE  13   5.527 -22.368   7.210
  129    HD2  PHE  13           HD2      PHE  13   3.314 -20.126  10.072
  130    HE1  PHE  13           HE1      PHE  13   5.632 -24.265   8.773
  131    HE2  PHE  13           HE2      PHE  13   3.417 -22.019  11.640
  132    HZ   PHE  13           HZ       PHE  13   4.578 -24.092  10.991
  133    H    LYS  14           H        LYS  14   1.307 -18.652   6.707
  134    HA   LYS  14           HA       LYS  14   2.075 -16.836   4.549
  135    HB2  LYS  14           2HB      LYS  14  -0.481 -17.442   5.981
  136    HB3  LYS  14           3HB      LYS  14  -0.298 -15.888   5.178
  137    HG2  LYS  14           2HG      LYS  14   0.387 -18.311   3.620
  138    HG3  LYS  14           3HG      LYS  14  -1.318 -18.012   3.962
  139    HD2  LYS  14           2HD      LYS  14   0.301 -15.731   2.972
  140    HD3  LYS  14           3HD      LYS  14  -0.094 -17.009   1.820
  141    HE2  LYS  14           2HE      LYS  14  -1.843 -15.465   1.614
  142    HE3  LYS  14           3HE      LYS  14  -2.502 -16.749   2.627
  143    HZ1  LYS  14           3HZ      LYS  14  -2.959 -14.425   3.393
  144    HZ2  LYS  14           1HZ      LYS  14  -1.309 -14.273   3.736
  145    HZ3  LYS  14           2HZ      LYS  14  -2.239 -15.428   4.549
  146    H    LEU  15           H        LEU  15   2.513 -14.695   4.838
  147    HA   LEU  15           HA       LEU  15   3.328 -12.860   5.915
  148    HB2  LEU  15           2HB      LEU  15   0.862 -13.574   7.441
  149    HB3  LEU  15           3HB      LEU  15   1.876 -12.243   7.995
  150    HG   LEU  15           HG       LEU  15  -0.016 -11.455   6.662
  151   HD11  LEU  15          1HD1      LEU  15   1.725 -10.587   4.701
  152   HD12  LEU  15          2HD1      LEU  15   2.776 -10.948   6.070
  153   HD13  LEU  15          3HD1      LEU  15   1.436  -9.818   6.263
  154   HD21  LEU  15          3HD2      LEU  15  -0.105 -13.547   5.241
  155   HD22  LEU  15          1HD2      LEU  15   1.220 -12.855   4.305
  156   HD23  LEU  15          2HD2      LEU  15  -0.330 -12.018   4.390
  157    H    TYR  16           H        TYR  16   4.550 -15.364   6.613
  158    HA   TYR  16           HA       TYR  16   4.942 -15.770   9.332
  159    HB2  TYR  16           2HB      TYR  16   7.250 -16.638   8.560
  160    HB3  TYR  16           3HB      TYR  16   5.811 -17.434   7.936
  161    HD1  TYR  16           HD1      TYR  16   7.794 -14.405   6.981
  162    HD2  TYR  16           HD2      TYR  16   6.024 -18.068   5.736
  163    HE1  TYR  16           HE1      TYR  16   8.570 -13.992   4.684
  164    HE2  TYR  16           HE2      TYR  16   6.796 -17.666   3.436
  165    HH   TYR  16           HH       TYR  16   8.038 -14.650   2.415
  166    H    HIS  17           H        HIS  17   7.338 -15.479  10.248
  167    HA   HIS  17           HA       HIS  17   7.678 -12.610  10.488
  168    HB2  HIS  17           2HB      HIS  17   8.568 -15.004  12.007
  169    HB3  HIS  17           3HB      HIS  17   9.594 -13.575  12.097
  170    HD1  HIS  17           HD1      HIS  17   5.821 -14.096  12.317
  171    HD2  HIS  17           HD2      HIS  17   8.930 -12.187  14.305
  172    HE1  HIS  17           HE1      HIS  17   4.749 -12.910  14.259
  173    H    GLU  18           H        GLU  18   8.372 -12.592   8.137
  174    HA   GLU  18           HA       GLU  18  11.269 -12.491   8.068
  175    HB2  GLU  18           2HB      GLU  18   9.994 -14.751   7.065
  176    HB3  GLU  18           3HB      GLU  18  10.307 -13.770   5.640
  177    HG2  GLU  18           2HG      GLU  18  12.697 -13.578   6.512
  178    HG3  GLU  18           3HG      GLU  18  12.271 -14.897   7.601
  179    H    GLY  19           H        GLY  19  11.072 -10.272   7.818
  180    HA2  GLY  19           2HA      GLY  19  10.961  -8.325   6.605
  181    HA3  GLY  19           3HA      GLY  19  10.800  -9.322   5.167
  182    H    LYS  20           H        LYS  20   9.305  -7.036   7.028
  183    HA   LYS  20           HA       LYS  20   6.585  -7.903   6.767
  184    HB2  LYS  20           2HB      LYS  20   7.987  -5.482   7.759
  185    HB3  LYS  20           3HB      LYS  20   6.328  -5.267   7.217
  186    HG2  LYS  20           2HG      LYS  20   5.702  -7.163   8.754
  187    HG3  LYS  20           3HG      LYS  20   7.336  -7.052   9.414
  188    HD2  LYS  20           2HD      LYS  20   6.966  -4.889  10.252
  189    HD3  LYS  20           3HD      LYS  20   5.527  -4.658   9.256
  190    HE2  LYS  20           2HE      LYS  20   4.229  -6.056  10.604
  191    HE3  LYS  20           3HE      LYS  20   5.642  -6.809  11.342
  192    HZ1  LYS  20           3HZ      LYS  20   5.417  -5.371  12.995
  193    HZ2  LYS  20           1HZ      LYS  20   4.193  -4.526  12.187
  194    HZ3  LYS  20           2HZ      LYS  20   5.814  -4.117  11.930
  195    H    PHE  21           H        PHE  21   6.227  -8.330   4.591
  196    HA   PHE  21           HA       PHE  21   5.267  -6.228   3.020
  197    HB2  PHE  21           2HB      PHE  21   7.980  -6.189   2.912
  198    HB3  PHE  21           3HB      PHE  21   7.620  -7.265   1.566
  199    HD1  PHE  21           HD2      PHE  21   5.433  -6.298   0.182
  200    HD2  PHE  21           HD1      PHE  21   8.354  -4.026   2.286
  201    HE1  PHE  21           HE2      PHE  21   4.940  -4.352  -1.242
  202    HE2  PHE  21           HE1      PHE  21   7.865  -2.077   0.866
  203    HZ   PHE  21           HZ       PHE  21   6.157  -2.239  -0.901
  204    H    TRP  22           H        TRP  22   3.582  -7.361   2.298
  205    HA   TRP  22           HA       TRP  22   4.126  -9.801   0.757
  206    HB2  TRP  22           2HB      TRP  22   2.244  -9.457   3.051
  207    HB3  TRP  22           3HB      TRP  22   1.771 -10.520   1.728
  208    HD1  TRP  22           HD1      TRP  22   4.723 -10.110   4.212
  209    HE1  TRP  22           HE1      TRP  22   5.665 -12.452   4.713
  210    HE3  TRP  22           HE3      TRP  22   1.804 -12.856   1.037
  211    HZ2  TRP  22           HZ2      TRP  22   5.229 -15.112   3.873
  212    HZ3  TRP  22           HZ3      TRP  22   2.130 -15.293   0.946
  213    HH2  TRP  22           HH2      TRP  22   3.808 -16.395   2.335
  214    H    CYS  23           H        CYS  23   3.959  -8.308  -1.045
  215    HA   CYS  23           HA       CYS  23   1.472  -8.383  -2.312
  216    HB2  CYS  23           2HB      CYS  23   0.720  -6.695  -0.770
  217    HB3  CYS  23           3HB      CYS  23   2.158  -5.721  -1.056
  218    HA   PRO  24           HA       PRO  24   4.918  -7.768  -5.192
  219    HB2  PRO  24           2HB      PRO  24   3.736  -9.133  -7.220
  220    HB3  PRO  24           3HB      PRO  24   4.600  -9.931  -5.901
  221    HG2  PRO  24           2HG      PRO  24   1.657  -9.519  -6.262
  222    HG3  PRO  24           3HG      PRO  24   2.525 -10.963  -5.709
  223    HD2  PRO  24           2HD      PRO  24   1.292  -9.262  -4.001
  224    HD3  PRO  24           3HD      PRO  24   2.765 -10.153  -3.565
  Start of MODEL   18
    1    H1   THR   1           H        THR   1   0.835   2.232  -0.887
    2    HA   THR   1           HA       THR   1  -0.109   0.215  -2.814
    3    HB   THR   1           HB       THR   1   0.059   2.360  -3.977
    4    HG1  THR   1           HG1      THR   1   1.378   1.606  -5.637
    5   HG21  THR   1          3HG2      THR   1   2.247   3.465  -4.227
    6   HG22  THR   1          1HG2      THR   1   2.940   2.330  -3.070
    7   HG23  THR   1          2HG2      THR   1   1.694   3.466  -2.553
    8    H    CYS   2           H        CYS   2   1.538  -1.189  -3.663
    9    HA   CYS   2           HA       CYS   2   3.898  -1.389  -1.907
   10    HB2  CYS   2           2HB      CYS   2   3.772  -3.871  -2.378
   11    HB3  CYS   2           3HB      CYS   2   2.475  -3.225  -1.378
   12    H    HIS   3           H        HIS   3   5.832  -2.217  -2.847
   13    HA   HIS   3           HA       HIS   3   5.920  -2.322  -5.770
   14    HB2  HIS   3           2HB      HIS   3   6.485   0.019  -4.837
   15    HB3  HIS   3           3HB      HIS   3   7.976  -0.722  -4.264
   16    HD1  HIS   3           HD1      HIS   3   9.775  -0.038  -5.809
   17    HD2  HIS   3           HD2      HIS   3   6.270  -0.965  -7.839
   18    HE1  HIS   3           HE1      HIS   3  10.334   0.182  -8.251
   19    H    ILE   4           H        ILE   4   6.588  -4.365  -6.034
   20    HA   ILE   4           HA       ILE   4   9.238  -5.111  -5.469
   21    HB   ILE   4           HB       ILE   4   8.445  -5.322  -3.161
   22   HG12  ILE   4          2HG1      ILE   4   9.105  -7.695  -2.800
   23   HG13  ILE   4          3HG1      ILE   4   8.982  -7.965  -4.535
   24   HG21  ILE   4          1HG2      ILE   4   6.666  -7.590  -3.924
   25   HG22  ILE   4          2HG2      ILE   4   6.629  -6.561  -2.493
   26   HG23  ILE   4          3HG2      ILE   4   6.060  -5.938  -4.041
   27   HD11  ILE   4          3HD1      ILE   4  10.774  -6.397  -4.935
   28   HD12  ILE   4          1HD1      ILE   4  10.862  -6.023  -3.214
   29   HD13  ILE   4          2HD1      ILE   4  11.290  -7.634  -3.790
   30    H    ARG   5           H        ARG   5   9.813  -6.667  -6.858
   31    HA   ARG   5           HA       ARG   5   7.851  -7.780  -8.618
   32    HB2  ARG   5           2HB      ARG   5   9.768  -8.873  -9.707
   33    HB3  ARG   5           3HB      ARG   5  10.051  -7.156  -9.455
   34    HG2  ARG   5           2HG      ARG   5  11.241  -7.924  -7.286
   35    HG3  ARG   5           3HG      ARG   5  11.296  -9.497  -8.084
   36    HD2  ARG   5           2HD      ARG   5  12.342  -8.334 -10.057
   37    HD3  ARG   5           3HD      ARG   5  12.479  -6.899  -9.042
   38    HE   ARG   5           HE       ARG   5  14.087  -9.284  -8.907
   39   HH11  ARG   5          1HH1      ARG   5  12.957  -6.471  -7.196
   40   HH12  ARG   5          2HH1      ARG   5  14.282  -6.457  -6.079
   41   HH21  ARG   5          1HH2      ARG   5  15.836  -9.277  -7.443
   42   HH22  ARG   5          2HH2      ARG   5  15.920  -8.053  -6.221
   43    H    ARG   6           H        ARG   6   9.872  -9.022  -6.002
   44    HA   ARG   6           HA       ARG   6   9.391 -11.742  -6.293
   45    HB2  ARG   6           2HB      ARG   6  10.059  -9.987  -3.968
   46    HB3  ARG   6           3HB      ARG   6   9.618 -11.663  -3.667
   47    HG2  ARG   6           2HG      ARG   6  11.686 -11.098  -5.724
   48    HG3  ARG   6           3HG      ARG   6  12.120 -10.936  -4.021
   49    HD2  ARG   6           2HD      ARG   6  11.515 -13.208  -3.583
   50    HD3  ARG   6           3HD      ARG   6  10.822 -13.388  -5.195
   51    HE   ARG   6           HE       ARG   6  13.510 -12.683  -5.477
   52   HH11  ARG   6          1HH1      ARG   6  11.583 -15.335  -4.305
   53   HH12  ARG   6          2HH1      ARG   6  12.776 -16.536  -4.672
   54   HH21  ARG   6          1HH2      ARG   6  15.089 -14.254  -5.965
   55   HH22  ARG   6          2HH2      ARG   6  14.771 -15.920  -5.616
   56    H    LYS   7           H        LYS   7   7.375 -12.466  -6.692
   57    HA   LYS   7           HA       LYS   7   5.224 -11.659  -4.853
   58    HB2  LYS   7           2HB      LYS   7   3.664 -12.409  -6.593
   59    HB3  LYS   7           3HB      LYS   7   4.758 -11.173  -7.200
   60    HG2  LYS   7           2HG      LYS   7   4.810 -12.650  -8.933
   61    HG3  LYS   7           3HG      LYS   7   6.162 -13.255  -7.973
   62    HD2  LYS   7           2HD      LYS   7   5.046 -15.138  -7.340
   63    HD3  LYS   7           3HD      LYS   7   3.469 -14.346  -7.372
   64    HE2  LYS   7           2HE      LYS   7   3.465 -15.897  -9.156
   65    HE3  LYS   7           3HE      LYS   7   3.679 -14.307  -9.888
   66    HZ1  LYS   7           3HZ      LYS   7   6.182 -14.904  -9.674
   67    HZ2  LYS   7           1HZ      LYS   7   5.274 -15.533 -10.955
   68    HZ3  LYS   7           2HZ      LYS   7   5.617 -16.498  -9.609
   69    HA   PRO   8           HA       PRO   8   4.985 -15.687  -3.123
   70    HB2  PRO   8           2HB      PRO   8   2.322 -15.889  -2.634
   71    HB3  PRO   8           3HB      PRO   8   3.395 -14.847  -1.692
   72    HG2  PRO   8           2HG      PRO   8   1.557 -14.131  -3.944
   73    HG3  PRO   8           3HG      PRO   8   1.839 -13.278  -2.416
   74    HD2  PRO   8           2HD      PRO   8   2.977 -12.504  -4.748
   75    HD3  PRO   8           3HD      PRO   8   3.779 -12.294  -3.178
   76    H    LYS   9           H        LYS   9   5.005 -17.671  -3.970
   77    HA   LYS   9           HA       LYS   9   3.120 -18.298  -6.145
   78    HB2  LYS   9           2HB      LYS   9   5.393 -17.905  -7.034
   79    HB3  LYS   9           3HB      LYS   9   6.013 -19.164  -5.973
   80    HG2  LYS   9           2HG      LYS   9   3.804 -19.872  -7.823
   81    HG3  LYS   9           3HG      LYS   9   5.416 -19.632  -8.500
   82    HD2  LYS   9           2HD      LYS   9   6.086 -21.191  -6.456
   83    HD3  LYS   9           3HD      LYS   9   4.417 -21.733  -6.651
   84    HE2  LYS   9           2HE      LYS   9   6.244 -21.542  -9.015
   85    HE3  LYS   9           3HE      LYS   9   6.309 -22.943  -7.947
   86    HZ1  LYS   9           3HZ      LYS   9   4.830 -23.429  -9.728
   87    HZ2  LYS   9           1HZ      LYS   9   3.971 -21.989  -9.504
   88    HZ3  LYS   9           2HZ      LYS   9   3.888 -23.212  -8.339
   89    H    PHE  10           H        PHE  10   5.586 -20.117  -4.329
   90    HA   PHE  10           HA       PHE  10   3.453 -21.932  -3.420
   91    HB2  PHE  10           2HB      PHE  10   4.640 -23.077  -5.177
   92    HB3  PHE  10           3HB      PHE  10   6.194 -22.661  -4.463
   93    HD1  PHE  10           HD2      PHE  10   3.070 -24.553  -3.779
   94    HD2  PHE  10           HD1      PHE  10   7.234 -24.130  -3.004
   95    HE1  PHE  10           HE2      PHE  10   3.045 -26.663  -2.513
   96    HE2  PHE  10           HE1      PHE  10   7.216 -26.240  -1.738
   97    HZ   PHE  10           HZ       PHE  10   5.120 -27.508  -1.490
   98    H    ARG  11           H        ARG  11   3.334 -21.054  -1.372
   99    HA   ARG  11           HA       ARG  11   5.643 -21.616   0.348
  100    HB2  ARG  11           2HB      ARG  11   4.855 -19.467   1.627
  101    HB3  ARG  11           3HB      ARG  11   5.931 -19.331   0.243
  102    HG2  ARG  11           2HG      ARG  11   4.199 -17.655   0.123
  103    HG3  ARG  11           3HG      ARG  11   4.006 -18.820  -1.189
  104    HD2  ARG  11           2HD      ARG  11   2.154 -19.826  -0.177
  105    HD3  ARG  11           3HD      ARG  11   2.528 -19.134   1.401
  106    HE   ARG  11           HE       ARG  11   1.435 -17.208   0.787
  107   HH11  ARG  11          1HH1      ARG  11   1.927 -19.218  -2.013
  108   HH12  ARG  11          2HH1      ARG  11   0.907 -18.263  -3.039
  109   HH21  ARG  11          1HH2      ARG  11   0.090 -15.944  -0.553
  110   HH22  ARG  11          2HH2      ARG  11  -0.136 -16.401  -2.207
  111    H    LYS  12           H        LYS  12   5.085 -21.845   2.623
  112    HA   LYS  12           HA       LYS  12   2.395 -22.970   2.930
  113    HB2  LYS  12           2HB      LYS  12   4.894 -23.318   4.595
  114    HB3  LYS  12           3HB      LYS  12   3.343 -24.062   4.959
  115    HG2  LYS  12           2HG      LYS  12   3.438 -25.431   3.042
  116    HG3  LYS  12           3HG      LYS  12   4.779 -24.508   2.359
  117    HD2  LYS  12           2HD      LYS  12   6.192 -25.251   4.258
  118    HD3  LYS  12           3HD      LYS  12   4.854 -26.256   4.819
  119    HE2  LYS  12           2HE      LYS  12   5.810 -26.542   2.008
  120    HE3  LYS  12           3HE      LYS  12   6.757 -27.258   3.312
  121    HZ1  LYS  12           3HZ      LYS  12   5.365 -28.962   3.275
  122    HZ2  LYS  12           1HZ      LYS  12   4.377 -28.207   2.128
  123    HZ3  LYS  12           2HZ      LYS  12   4.112 -27.943   3.777
  124    H    PHE  13           H        PHE  13   4.623 -21.507   5.283
  125    HA   PHE  13           HA       PHE  13   2.532 -20.402   6.831
  126    HB2  PHE  13           2HB      PHE  13   5.474 -19.694   6.796
  127    HB3  PHE  13           3HB      PHE  13   4.329 -19.236   8.053
  128    HD1  PHE  13           HD1      PHE  13   2.958 -21.342   9.007
  129    HD2  PHE  13           HD2      PHE  13   6.826 -21.482   7.236
  130    HE1  PHE  13           HE1      PHE  13   3.423 -23.445  10.197
  131    HE2  PHE  13           HE2      PHE  13   7.297 -23.586   8.422
  132    HZ   PHE  13           HZ       PHE  13   5.594 -24.571   9.904
  133    H    LYS  14           H        LYS  14   1.398 -18.602   6.560
  134    HA   LYS  14           HA       LYS  14   2.201 -16.726   4.471
  135    HB2  LYS  14           2HB      LYS  14  -0.362 -17.368   5.864
  136    HB3  LYS  14           3HB      LYS  14  -0.168 -15.771   5.154
  137    HG2  LYS  14           2HG      LYS  14   0.523 -18.084   3.447
  138    HG3  LYS  14           3HG      LYS  14  -1.185 -17.839   3.821
  139    HD2  LYS  14           2HD      LYS  14  -0.612 -15.346   3.164
  140    HD3  LYS  14           3HD      LYS  14   0.690 -16.128   2.263
  141    HE2  LYS  14           2HE      LYS  14  -1.260 -15.834   0.848
  142    HE3  LYS  14           3HE      LYS  14  -0.962 -17.548   1.133
  143    HZ1  LYS  14           3HZ      LYS  14  -2.956 -17.769   2.046
  144    HZ2  LYS  14           1HZ      LYS  14  -3.317 -16.193   1.546
  145    HZ3  LYS  14           2HZ      LYS  14  -2.707 -16.469   3.099
  146    H    LEU  15           H        LEU  15   2.691 -14.611   4.821
  147    HA   LEU  15           HA       LEU  15   3.527 -12.818   5.950
  148    HB2  LEU  15           2HB      LEU  15   1.029 -13.519   7.426
  149    HB3  LEU  15           3HB      LEU  15   2.064 -12.227   8.032
  150    HG   LEU  15           HG       LEU  15   0.198 -11.372   6.691
  151   HD11  LEU  15          1HD1      LEU  15   1.957 -10.419   4.814
  152   HD12  LEU  15          2HD1      LEU  15   3.018 -10.897   6.138
  153   HD13  LEU  15          3HD1      LEU  15   1.709  -9.752   6.428
  154   HD21  LEU  15          3HD2      LEU  15   1.477 -12.707   4.317
  155   HD22  LEU  15          1HD2      LEU  15  -0.060 -11.845   4.390
  156   HD23  LEU  15          2HD2      LEU  15   0.114 -13.406   5.193
  157    H    TYR  16           H        TYR  16   4.736 -15.321   6.581
  158    HA   TYR  16           HA       TYR  16   5.078 -15.824   9.296
  159    HB2  TYR  16           2HB      TYR  16   7.389 -16.687   8.526
  160    HB3  TYR  16           3HB      TYR  16   5.950 -17.453   7.863
  161    HD1  TYR  16           HD2      TYR  16   7.977 -14.419   7.021
  162    HD2  TYR  16           HD1      TYR  16   6.177 -18.021   5.647
  163    HE1  TYR  16           HE2      TYR  16   8.781 -13.946   4.745
  164    HE2  TYR  16           HE1      TYR  16   6.977 -17.559   3.368
  165    HH   TYR  16           HH       TYR  16   9.306 -15.695   2.580
  166    H    HIS  17           H        HIS  17   7.528 -15.600  10.183
  167    HA   HIS  17           HA       HIS  17   7.870 -12.737  10.541
  168    HB2  HIS  17           2HB      HIS  17   7.863 -14.221  12.509
  169    HB3  HIS  17           3HB      HIS  17   9.280 -15.056  11.880
  170    HD1  HIS  17           HD1      HIS  17  10.499 -14.345  14.110
  171    HD2  HIS  17           HD2      HIS  17   9.417 -11.212  11.606
  172    HE1  HIS  17           HE1      HIS  17  11.801 -12.354  14.924
  173    H    GLU  18           H        GLU  18   8.579 -12.659   8.193
  174    HA   GLU  18           HA       GLU  18  11.476 -12.575   8.146
  175    HB2  GLU  18           2HB      GLU  18  10.187 -14.798   7.069
  176    HB3  GLU  18           3HB      GLU  18  10.535 -13.783   5.677
  177    HG2  GLU  18           2HG      GLU  18  12.882 -13.733   6.256
  178    HG3  GLU  18           3HG      GLU  18  12.563 -14.663   7.719
  179    H    GLY  19           H        GLY  19  11.293 -10.350   7.953
  180    HA2  GLY  19           2HA      GLY  19  11.220  -8.376   6.777
  181    HA3  GLY  19           3HA      GLY  19  11.025  -9.337   5.318
  182    H    LYS  20           H        LYS  20   9.635  -6.966   7.035
  183    HA   LYS  20           HA       LYS  20   6.878  -7.807   6.866
  184    HB2  LYS  20           2HB      LYS  20   8.337  -5.413   7.852
  185    HB3  LYS  20           3HB      LYS  20   6.669  -5.179   7.344
  186    HG2  LYS  20           2HG      LYS  20   6.133  -7.165   8.878
  187    HG3  LYS  20           3HG      LYS  20   7.735  -6.882   9.564
  188    HD2  LYS  20           2HD      LYS  20   6.451  -5.577  10.947
  189    HD3  LYS  20           3HD      LYS  20   6.879  -4.399   9.704
  190    HE2  LYS  20           2HE      LYS  20   4.731  -4.937   8.558
  191    HE3  LYS  20           3HE      LYS  20   4.305  -5.954   9.934
  192    HZ1  LYS  20           3HZ      LYS  20   5.089  -3.450  10.904
  193    HZ2  LYS  20           1HZ      LYS  20   3.557  -4.166  10.972
  194    HZ3  LYS  20           2HZ      LYS  20   3.976  -3.189   9.657
  195    H    PHE  21           H        PHE  21   6.488  -8.208   4.693
  196    HA   PHE  21           HA       PHE  21   5.568  -6.076   3.142
  197    HB2  PHE  21           2HB      PHE  21   8.289  -6.114   3.015
  198    HB3  PHE  21           3HB      PHE  21   7.876  -7.144   1.648
  199    HD1  PHE  21           HD1      PHE  21   5.757  -6.096   0.269
  200    HD2  PHE  21           HD2      PHE  21   8.671  -3.927   2.487
  201    HE1  PHE  21           HE1      PHE  21   5.308  -4.101  -1.099
  202    HE2  PHE  21           HE2      PHE  21   8.226  -1.928   1.124
  203    HZ   PHE  21           HZ       PHE  21   6.543  -2.013  -0.672
  204    H    TRP  22           H        TRP  22   3.845  -7.196   2.476
  205    HA   TRP  22           HA       TRP  22   4.329  -9.615   0.879
  206    HB2  TRP  22           2HB      TRP  22   2.503  -9.283   3.220
  207    HB3  TRP  22           3HB      TRP  22   1.986 -10.318   1.892
  208    HD1  TRP  22           HD1      TRP  22   4.977  -9.991   4.336
  209    HE1  TRP  22           HE1      TRP  22   5.908 -12.351   4.769
  210    HE3  TRP  22           HE3      TRP  22   2.001 -12.637   1.130
  211    HZ2  TRP  22           HZ2      TRP  22   5.442 -14.986   3.870
  212    HZ3  TRP  22           HZ3      TRP  22   2.308 -15.074   0.976
  213    HH2  TRP  22           HH2      TRP  22   3.994 -16.222   2.318
  214    H    CYS  23           H        CYS  23   4.141  -8.088  -0.894
  215    HA   CYS  23           HA       CYS  23   1.602  -8.104  -2.083
  216    HB2  CYS  23           2HB      CYS  23   1.080  -6.362  -0.431
  217    HB3  CYS  23           3HB      CYS  23   2.445  -5.407  -1.001
  218    HA   PRO  24           HA       PRO  24   4.961  -7.636  -5.091
  219    HB2  PRO  24           2HB      PRO  24   3.654  -8.961  -7.066
  220    HB3  PRO  24           3HB      PRO  24   4.534  -9.787  -5.775
  221    HG2  PRO  24           2HG      PRO  24   1.598  -9.262  -6.031
  222    HG3  PRO  24           3HG      PRO  24   2.428 -10.737  -5.502
  223    HD2  PRO  24           2HD      PRO  24   1.326  -8.982  -3.760
  224    HD3  PRO  24           3HD      PRO  24   2.778  -9.927  -3.372
  Start of MODEL   19
    1    H1   THR   1           H        THR   1  -2.246  -1.925  -6.385
    2    HA   THR   1           HA       THR   1  -0.345   0.007  -7.007
    3    HB   THR   1           HB       THR   1  -2.593   0.481  -6.038
    4    HG1  THR   1           HG1      THR   1  -0.615   1.934  -5.939
    5   HG21  THR   1          3HG2      THR   1  -1.805  -1.249  -4.035
    6   HG22  THR   1          1HG2      THR   1  -3.214  -0.190  -3.993
    7   HG23  THR   1          2HG2      THR   1  -1.693   0.337  -3.271
    8    H    CYS   2           H        CYS   2   0.865  -2.508  -6.079
    9    HA   CYS   2           HA       CYS   2   2.411  -1.486  -3.788
   10    HB2  CYS   2           2HB      CYS   2   1.701  -4.294  -4.614
   11    HB3  CYS   2           3HB      CYS   2   3.029  -3.965  -3.507
   12    H    HIS   3           H        HIS   3   4.693  -2.469  -3.737
   13    HA   HIS   3           HA       HIS   3   5.849  -2.849  -6.385
   14    HB2  HIS   3           2HB      HIS   3   6.260  -0.449  -4.679
   15    HB3  HIS   3           3HB      HIS   3   7.679  -1.112  -5.484
   16    HD1  HIS   3           HD1      HIS   3   6.549  -1.852  -8.200
   17    HD2  HIS   3           HD2      HIS   3   5.607   1.679  -6.223
   18    HE1  HIS   3           HE1      HIS   3   5.803  -0.256  -9.994
   19    H    ILE   4           H        ILE   4   6.693  -4.816  -5.996
   20    HA   ILE   4           HA       ILE   4   9.036  -5.058  -4.435
   21    HB   ILE   4           HB       ILE   4   7.467  -5.111  -2.559
   22   HG12  ILE   4          2HG1      ILE   4   8.205  -7.226  -1.558
   23   HG13  ILE   4          3HG1      ILE   4   8.643  -7.837  -3.150
   24   HG21  ILE   4          1HG2      ILE   4   5.846  -6.927  -2.330
   25   HG22  ILE   4          2HG2      ILE   4   5.504  -5.933  -3.745
   26   HG23  ILE   4          3HG2      ILE   4   6.269  -7.509  -3.940
   27   HD11  ILE   4          3HD1      ILE   4  10.295  -6.533  -1.366
   28   HD12  ILE   4          1HD1      ILE   4  10.625  -6.851  -3.069
   29   HD13  ILE   4          2HD1      ILE   4   9.923  -5.309  -2.580
   30    H    ARG   5           H        ARG   5  10.227  -6.744  -5.137
   31    HA   ARG   5           HA       ARG   5   9.163  -8.343  -7.288
   32    HB2  ARG   5           2HB      ARG   5  11.451  -9.193  -7.504
   33    HB3  ARG   5           3HB      ARG   5  11.430  -7.436  -7.433
   34    HG2  ARG   5           2HG      ARG   5  12.029  -7.570  -5.035
   35    HG3  ARG   5           3HG      ARG   5  12.165  -9.321  -5.206
   36    HD2  ARG   5           2HD      ARG   5  13.757  -7.290  -6.767
   37    HD3  ARG   5           3HD      ARG   5  14.344  -8.172  -5.358
   38    HE   ARG   5           HE       ARG   5  14.198  -9.133  -8.031
   39   HH11  ARG   5          1HH1      ARG   5  13.918 -10.113  -4.703
   40   HH12  ARG   5          2HH1      ARG   5  14.374 -11.756  -5.012
   41   HH21  ARG   5          1HH2      ARG   5  14.799 -11.292  -8.452
   42   HH22  ARG   5          2HH2      ARG   5  14.876 -12.425  -7.145
   43    H    ARG   6           H        ARG   6  10.128  -8.820  -3.944
   44    HA   ARG   6           HA       ARG   6   9.916 -11.679  -4.042
   45    HB2  ARG   6           2HB      ARG   6  10.416  -9.634  -1.938
   46    HB3  ARG   6           3HB      ARG   6   9.816 -11.203  -1.419
   47    HG2  ARG   6           2HG      ARG   6  12.174 -11.012  -3.246
   48    HG3  ARG   6           3HG      ARG   6  12.360 -10.787  -1.505
   49    HD2  ARG   6           2HD      ARG   6  11.154 -12.995  -1.229
   50    HD3  ARG   6           3HD      ARG   6  11.351 -13.215  -2.967
   51    HE   ARG   6           HE       ARG   6  13.851 -12.622  -1.857
   52   HH11  ARG   6          1HH1      ARG   6  11.466 -15.158  -1.836
   53   HH12  ARG   6          2HH1      ARG   6  12.619 -16.419  -1.553
   54   HH21  ARG   6          1HH2      ARG   6  15.379 -14.274  -1.483
   55   HH22  ARG   6          2HH2      ARG   6  14.845 -15.915  -1.351
   56    H    LYS   7           H        LYS   7   7.808 -11.940  -4.942
   57    HA   LYS   7           HA       LYS   7   5.602 -11.300  -3.101
   58    HB2  LYS   7           2HB      LYS   7   4.209 -11.881  -5.223
   59    HB3  LYS   7           3HB      LYS   7   5.012 -10.320  -5.118
   60    HG2  LYS   7           2HG      LYS   7   5.318 -11.244  -7.316
   61    HG3  LYS   7           3HG      LYS   7   6.867 -11.211  -6.471
   62    HD2  LYS   7           2HD      LYS   7   6.984 -13.487  -6.310
   63    HD3  LYS   7           3HD      LYS   7   5.230 -13.682  -6.266
   64    HE2  LYS   7           2HE      LYS   7   6.084 -14.563  -8.342
   65    HE3  LYS   7           3HE      LYS   7   5.141 -13.110  -8.667
   66    HZ1  LYS   7           3HZ      LYS   7   7.538 -13.518  -9.692
   67    HZ2  LYS   7           1HZ      LYS   7   8.003 -12.750  -8.258
   68    HZ3  LYS   7           2HZ      LYS   7   6.957 -11.970  -9.333
   69    HA   PRO   8           HA       PRO   8   4.832 -15.535  -2.251
   70    HB2  PRO   8           2HB      PRO   8   2.119 -15.613  -2.166
   71    HB3  PRO   8           3HB      PRO   8   3.098 -14.846  -0.910
   72    HG2  PRO   8           2HG      PRO   8   1.645 -13.593  -3.208
   73    HG3  PRO   8           3HG      PRO   8   1.747 -13.055  -1.522
   74    HD2  PRO   8           2HD      PRO   8   3.249 -11.964  -3.493
   75    HD3  PRO   8           3HD      PRO   8   3.826 -12.104  -1.820
   76    H    LYS   9           H        LYS   9   4.719 -17.396  -3.367
   77    HA   LYS   9           HA       LYS   9   3.098 -17.518  -5.804
   78    HB2  LYS   9           2HB      LYS   9   6.052 -17.750  -5.616
   79    HB3  LYS   9           3HB      LYS   9   5.234 -18.898  -6.667
   80    HG2  LYS   9           2HG      LYS   9   4.890 -15.915  -6.852
   81    HG3  LYS   9           3HG      LYS   9   6.050 -16.841  -7.806
   82    HD2  LYS   9           2HD      LYS   9   3.068 -17.300  -7.792
   83    HD3  LYS   9           3HD      LYS   9   3.942 -16.381  -9.019
   84    HE2  LYS   9           2HE      LYS   9   4.243 -19.309  -8.369
   85    HE3  LYS   9           3HE      LYS   9   3.567 -18.608  -9.839
   86    HZ1  LYS   9           3HZ      LYS   9   6.354 -18.892  -9.027
   87    HZ2  LYS   9           1HZ      LYS   9   5.949 -17.489  -9.882
   88    HZ3  LYS   9           2HZ      LYS   9   5.657 -19.009 -10.564
   89    H    PHE  10           H        PHE  10   5.549 -19.662  -4.374
   90    HA   PHE  10           HA       PHE  10   3.421 -21.642  -3.902
   91    HB2  PHE  10           2HB      PHE  10   5.086 -22.016  -5.894
   92    HB3  PHE  10           3HB      PHE  10   6.199 -22.502  -4.619
   93    HD1  PHE  10           HD2      PHE  10   2.721 -23.155  -5.788
   94    HD2  PHE  10           HD1      PHE  10   6.246 -24.708  -3.979
   95    HE1  PHE  10           HE2      PHE  10   1.721 -25.403  -5.779
   96    HE2  PHE  10           HE1      PHE  10   5.253 -26.959  -3.968
   97    HZ   PHE  10           HZ       PHE  10   2.987 -27.308  -4.867
   98    H    ARG  11           H        ARG  11   3.504 -20.608  -1.737
   99    HA   ARG  11           HA       ARG  11   5.717 -21.699  -0.125
  100    HB2  ARG  11           2HB      ARG  11   4.882 -19.851   1.532
  101    HB3  ARG  11           3HB      ARG  11   5.946 -19.425   0.199
  102    HG2  ARG  11           2HG      ARG  11   4.177 -17.802   0.392
  103    HG3  ARG  11           3HG      ARG  11   3.990 -18.713  -1.108
  104    HD2  ARG  11           2HD      ARG  11   2.230 -20.027  -0.178
  105    HD3  ARG  11           3HD      ARG  11   2.528 -19.384   1.437
  106    HE   ARG  11           HE       ARG  11   1.324 -17.506   0.885
  107   HH11  ARG  11          1HH1      ARG  11   1.997 -19.353  -1.989
  108   HH12  ARG  11          2HH1      ARG  11   0.936 -18.421  -2.993
  109   HH21  ARG  11          1HH2      ARG  11  -0.075 -16.272  -0.428
  110   HH22  ARG  11          2HH2      ARG  11  -0.241 -16.668  -2.105
  111    H    LYS  12           H        LYS  12   5.054 -22.076   2.210
  112    HA   LYS  12           HA       LYS  12   2.454 -23.448   2.221
  113    HB2  LYS  12           2HB      LYS  12   3.401 -24.774   4.102
  114    HB3  LYS  12           3HB      LYS  12   4.294 -24.958   2.598
  115    HG2  LYS  12           2HG      LYS  12   5.939 -23.299   3.437
  116    HG3  LYS  12           3HG      LYS  12   5.078 -23.290   4.978
  117    HD2  LYS  12           2HD      LYS  12   6.037 -25.866   3.790
  118    HD3  LYS  12           3HD      LYS  12   7.148 -24.828   4.686
  119    HE2  LYS  12           2HE      LYS  12   5.372 -24.846   6.532
  120    HE3  LYS  12           3HE      LYS  12   4.661 -26.203   5.659
  121    HZ1  LYS  12           3HZ      LYS  12   6.049 -27.254   7.132
  122    HZ2  LYS  12           1HZ      LYS  12   7.236 -26.050   7.069
  123    HZ3  LYS  12           2HZ      LYS  12   7.061 -27.133   5.782
  124    H    PHE  13           H        PHE  13   4.564 -21.380   4.177
  125    HA   PHE  13           HA       PHE  13   2.437 -20.933   6.111
  126    HB2  PHE  13           2HB      PHE  13   5.100 -21.110   6.453
  127    HB3  PHE  13           3HB      PHE  13   4.953 -19.367   6.253
  128    HD1  PHE  13           HD1      PHE  13   3.640 -22.227   8.219
  129    HD2  PHE  13           HD2      PHE  13   4.295 -18.025   8.035
  130    HE1  PHE  13           HE1      PHE  13   2.960 -22.021  10.575
  131    HE2  PHE  13           HE2      PHE  13   3.617 -17.813  10.390
  132    HZ   PHE  13           HZ       PHE  13   2.949 -19.812  11.664
  133    H    LYS  14           H        LYS  14   2.124 -18.590   6.829
  134    HA   LYS  14           HA       LYS  14   1.995 -16.837   4.464
  135    HB2  LYS  14           2HB      LYS  14  -0.072 -17.310   6.608
  136    HB3  LYS  14           3HB      LYS  14  -0.107 -15.896   5.562
  137    HG2  LYS  14           2HG      LYS  14  -0.135 -18.731   4.554
  138    HG3  LYS  14           3HG      LYS  14  -1.584 -17.764   4.837
  139    HD2  LYS  14           2HD      LYS  14   0.495 -16.481   3.191
  140    HD3  LYS  14           3HD      LYS  14  -0.281 -17.893   2.469
  141    HE2  LYS  14           2HE      LYS  14  -2.481 -16.726   3.236
  142    HE3  LYS  14           3HE      LYS  14  -1.477 -15.278   3.290
  143    HZ1  LYS  14           3HZ      LYS  14  -2.718 -15.819   1.135
  144    HZ2  LYS  14           1HZ      LYS  14  -1.525 -16.994   0.890
  145    HZ3  LYS  14           2HZ      LYS  14  -1.093 -15.364   1.020
  146    H    LEU  15           H        LEU  15   2.806 -14.843   4.698
  147    HA   LEU  15           HA       LEU  15   3.982 -13.121   5.619
  148    HB2  LEU  15           2HB      LEU  15   1.741 -13.599   7.531
  149    HB3  LEU  15           3HB      LEU  15   2.973 -12.402   7.922
  150    HG   LEU  15           HG       LEU  15   0.974 -11.394   6.918
  151   HD11  LEU  15          1HD1      LEU  15   2.438 -10.575   4.756
  152   HD12  LEU  15          2HD1      LEU  15   3.683 -11.162   5.858
  153   HD13  LEU  15          3HD1      LEU  15   2.557  -9.911   6.386
  154   HD21  LEU  15          3HD2      LEU  15   0.058 -12.020   4.944
  155   HD22  LEU  15          1HD2      LEU  15   0.784 -13.569   5.375
  156   HD23  LEU  15          2HD2      LEU  15   1.608 -12.493   4.246
  157    H    TYR  16           H        TYR  16   5.070 -15.719   6.079
  158    HA   TYR  16           HA       TYR  16   5.856 -16.248   8.688
  159    HB2  TYR  16           2HB      TYR  16   7.934 -17.266   7.532
  160    HB3  TYR  16           3HB      TYR  16   6.351 -17.926   7.134
  161    HD1  TYR  16           HD1      TYR  16   8.395 -15.027   5.933
  162    HD2  TYR  16           HD2      TYR  16   6.159 -18.501   4.917
  163    HE1  TYR  16           HE1      TYR  16   8.823 -14.597   3.550
  164    HE2  TYR  16           HE2      TYR  16   6.582 -18.082   2.530
  165    HH   TYR  16           HH       TYR  16   7.464 -16.701   1.032
  166    H    HIS  17           H        HIS  17   8.369 -16.174   9.235
  167    HA   HIS  17           HA       HIS  17   8.984 -13.358   9.488
  168    HB2  HIS  17           2HB      HIS  17   9.926 -15.877  10.753
  169    HB3  HIS  17           3HB      HIS  17  11.056 -14.527  10.720
  170    HD1  HIS  17           HD1      HIS  17   9.713 -12.160  11.579
  171    HD2  HIS  17           HD2      HIS  17   8.486 -15.856  13.026
  172    HE1  HIS  17           HE1      HIS  17   8.464 -11.668  13.705
  173    H    GLU  18           H        GLU  18   9.271 -13.302   7.047
  174    HA   GLU  18           HA       GLU  18  12.115 -13.383   6.495
  175    HB2  GLU  18           2HB      GLU  18  10.539 -15.528   5.672
  176    HB3  GLU  18           3HB      GLU  18  10.694 -14.528   4.234
  177    HG2  GLU  18           2HG      GLU  18  13.122 -14.587   4.446
  178    HG3  GLU  18           3HG      GLU  18  12.973 -15.579   5.895
  179    H    GLY  19           H        GLY  19  12.018 -11.149   6.327
  180    HA2  GLY  19           2HA      GLY  19  11.853  -9.171   5.168
  181    HA3  GLY  19           3HA      GLY  19  11.353 -10.114   3.772
  182    H    LYS  20           H        LYS  20  10.418  -7.588   5.420
  183    HA   LYS  20           HA       LYS  20   7.625  -8.298   5.831
  184    HB2  LYS  20           2HB      LYS  20   9.368  -6.000   6.541
  185    HB3  LYS  20           3HB      LYS  20   7.659  -5.658   6.302
  186    HG2  LYS  20           2HG      LYS  20   7.310  -7.669   7.915
  187    HG3  LYS  20           3HG      LYS  20   8.982  -7.343   8.377
  188    HD2  LYS  20           2HD      LYS  20   7.020  -5.093   8.270
  189    HD3  LYS  20           3HD      LYS  20   7.006  -6.192   9.651
  190    HE2  LYS  20           2HE      LYS  20   9.410  -4.658   8.665
  191    HE3  LYS  20           3HE      LYS  20   8.403  -4.197  10.036
  192    HZ1  LYS  20           3HZ      LYS  20  10.106  -6.612   9.793
  193    HZ2  LYS  20           1HZ      LYS  20   8.986  -6.383  11.040
  194    HZ3  LYS  20           2HZ      LYS  20  10.295  -5.325  10.875
  195    H    PHE  21           H        PHE  21   6.853  -8.677   3.761
  196    HA   PHE  21           HA       PHE  21   5.820  -6.498   2.356
  197    HB2  PHE  21           2HB      PHE  21   8.503  -6.801   1.769
  198    HB3  PHE  21           3HB      PHE  21   7.711  -7.656   0.450
  199    HD1  PHE  21           HD2      PHE  21   5.362  -6.155  -0.135
  200    HD2  PHE  21           HD1      PHE  21   9.199  -4.742   1.045
  201    HE1  PHE  21           HE2      PHE  21   4.913  -4.011  -1.255
  202    HE2  PHE  21           HE1      PHE  21   8.756  -2.594  -0.071
  203    HZ   PHE  21           HZ       PHE  21   6.611  -2.227  -1.224
  204    H    TRP  22           H        TRP  22   3.949  -7.573   2.094
  205    HA   TRP  22           HA       TRP  22   4.020  -9.996   0.427
  206    HB2  TRP  22           2HB      TRP  22   2.649  -9.565   3.046
  207    HB3  TRP  22           3HB      TRP  22   1.855 -10.572   1.838
  208    HD1  TRP  22           HD1      TRP  22   5.288 -10.395   3.644
  209    HE1  TRP  22           HE1      TRP  22   6.136 -12.805   3.964
  210    HE3  TRP  22           HE3      TRP  22   1.549 -12.900   1.218
  211    HZ2  TRP  22           HZ2      TRP  22   5.327 -15.421   3.278
  212    HZ3  TRP  22           HZ3      TRP  22   1.661 -15.355   1.095
  213    HH2  TRP  22           HH2      TRP  22   3.512 -16.587   2.103
  214    H    CYS  23           H        CYS  23   3.605  -8.471  -1.305
  215    HA   CYS  23           HA       CYS  23   0.918  -8.364  -2.061
  216    HB2  CYS  23           2HB      CYS  23   0.596  -6.650  -0.404
  217    HB3  CYS  23           3HB      CYS  23   2.016  -5.772  -0.962
  218    HA   PRO  24           HA       PRO  24   3.766  -7.944  -5.562
  219    HB2  PRO  24           2HB      PRO  24   2.118  -9.195  -7.319
  220    HB3  PRO  24           3HB      PRO  24   3.165 -10.069  -6.196
  221    HG2  PRO  24           2HG      PRO  24   0.245  -9.451  -5.971
  222    HG3  PRO  24           3HG      PRO  24   1.101 -10.959  -5.601
  223    HD2  PRO  24           2HD      PRO  24   0.349  -9.203  -3.683
  224    HD3  PRO  24           3HD      PRO  24   1.812 -10.198  -3.545
  Start of MODEL   20
    1    H1   THR   1           H        THR   1   1.498   1.108  -2.209
    2    HA   THR   1           HA       THR   1   3.394   0.314  -1.231
    3    HB   THR   1           HB       THR   1   3.247  -0.819   0.936
    4    HG1  THR   1           HG1      THR   1   0.478  -0.946   0.293
    5   HG21  THR   1          3HG2      THR   1   1.713   1.652   0.362
    6   HG22  THR   1          1HG2      THR   1   3.115   1.406   1.402
    7   HG23  THR   1          2HG2      THR   1   1.509   0.938   1.962
    8    H    CYS   2           H        CYS   2   2.681  -1.028  -3.443
    9    HA   CYS   2           HA       CYS   2   3.440  -3.790  -2.791
   10    HB2  CYS   2           2HB      CYS   2   1.455  -3.106  -4.961
   11    HB3  CYS   2           3HB      CYS   2   1.890  -4.705  -4.367
   12    H    HIS   3           H        HIS   3   5.516  -2.560  -3.338
   13    HA   HIS   3           HA       HIS   3   5.962  -2.650  -6.250
   14    HB2  HIS   3           2HB      HIS   3   6.209  -0.405  -4.996
   15    HB3  HIS   3           3HB      HIS   3   7.689  -1.096  -4.337
   16    HD1  HIS   3           HD1      HIS   3   8.630   1.087  -5.739
   17    HD2  HIS   3           HD2      HIS   3   7.365  -2.212  -7.924
   18    HE1  HIS   3           HE1      HIS   3   9.673   1.347  -8.012
   19    H    ILE   4           H        ILE   4   6.754  -4.655  -6.582
   20    HA   ILE   4           HA       ILE   4   9.409  -5.254  -5.902
   21    HB   ILE   4           HB       ILE   4   8.585  -5.679  -3.663
   22   HG12  ILE   4          2HG1      ILE   4   8.890  -8.460  -4.667
   23   HG13  ILE   4          3HG1      ILE   4  10.180  -7.327  -5.056
   24   HG21  ILE   4          1HG2      ILE   4   6.845  -7.199  -3.142
   25   HG22  ILE   4          2HG2      ILE   4   6.228  -6.154  -4.420
   26   HG23  ILE   4          3HG2      ILE   4   6.768  -7.788  -4.802
   27   HD11  ILE   4          3HD1      ILE   4  11.015  -7.491  -3.016
   28   HD12  ILE   4          1HD1      ILE   4   9.454  -7.118  -2.284
   29   HD13  ILE   4          2HD1      ILE   4   9.855  -8.782  -2.709
   30    H    ARG   5           H        ARG   5  10.114  -6.494  -7.504
   31    HA   ARG   5           HA       ARG   5   8.320  -7.718  -9.344
   32    HB2  ARG   5           2HB      ARG   5  10.302  -8.421 -10.538
   33    HB3  ARG   5           3HB      ARG   5  10.512  -6.763  -9.994
   34    HG2  ARG   5           2HG      ARG   5  11.806  -7.667  -8.046
   35    HG3  ARG   5           3HG      ARG   5  11.745  -9.245  -8.834
   36    HD2  ARG   5           2HD      ARG   5  12.723  -8.027 -10.876
   37    HD3  ARG   5           3HD      ARG   5  13.116  -6.737  -9.741
   38    HE   ARG   5           HE       ARG   5  14.813  -8.031  -8.918
   39   HH11  ARG   5          1HH1      ARG   5  12.646 -10.037 -10.761
   40   HH12  ARG   5          2HH1      ARG   5  13.667 -11.435 -10.686
   41   HH21  ARG   5          1HH2      ARG   5  16.166  -9.864  -8.811
   42   HH22  ARG   5          2HH2      ARG   5  15.669 -11.335  -9.576
   43    H    ARG   6           H        ARG   6  10.325  -8.892  -6.707
   44    HA   ARG   6           HA       ARG   6   9.917 -11.664  -7.298
   45    HB2  ARG   6           2HB      ARG   6  11.896 -10.881  -6.069
   46    HB3  ARG   6           3HB      ARG   6  10.864 -10.331  -4.755
   47    HG2  ARG   6           2HG      ARG   6  11.821 -12.406  -4.108
   48    HG3  ARG   6           3HG      ARG   6  10.115 -12.693  -4.457
   49    HD2  ARG   6           2HD      ARG   6  12.060 -13.052  -6.670
   50    HD3  ARG   6           3HD      ARG   6  12.041 -14.266  -5.392
   51    HE   ARG   6           HE       ARG   6   9.444 -13.643  -6.473
   52   HH11  ARG   6          1HH1      ARG   6  12.288 -15.630  -6.765
   53   HH12  ARG   6          2HH1      ARG   6  11.472 -16.900  -7.616
   54   HH21  ARG   6          1HH2      ARG   6   8.359 -15.308  -7.592
   55   HH22  ARG   6          2HH2      ARG   6   9.237 -16.715  -8.086
   56    H    LYS   7           H        LYS   7   7.561 -11.536  -7.520
   57    HA   LYS   7           HA       LYS   7   5.867 -10.937  -5.340
   58    HB2  LYS   7           2HB      LYS   7   4.111 -11.688  -6.673
   59    HB3  LYS   7           3HB      LYS   7   5.305 -11.172  -7.856
   60    HG2  LYS   7           2HG      LYS   7   4.832 -14.010  -6.966
   61    HG3  LYS   7           3HG      LYS   7   4.270 -13.291  -8.477
   62    HD2  LYS   7           2HD      LYS   7   6.624 -12.852  -9.097
   63    HD3  LYS   7           3HD      LYS   7   7.139 -13.674  -7.622
   64    HE2  LYS   7           2HE      LYS   7   7.307 -15.278  -9.343
   65    HE3  LYS   7           3HE      LYS   7   5.840 -15.683  -8.453
   66    HZ1  LYS   7           3HZ      LYS   7   5.082 -13.925 -10.449
   67    HZ2  LYS   7           1HZ      LYS   7   4.761 -15.584 -10.368
   68    HZ3  LYS   7           2HZ      LYS   7   6.132 -15.027 -11.187
   69    HA   PRO   8           HA       PRO   8   6.075 -14.511  -2.799
   70    HB2  PRO   8           2HB      PRO   8   3.514 -14.680  -1.913
   71    HB3  PRO   8           3HB      PRO   8   4.639 -13.431  -1.366
   72    HG2  PRO   8           2HG      PRO   8   2.487 -13.265  -3.440
   73    HG3  PRO   8           3HG      PRO   8   2.915 -12.097  -2.176
   74    HD2  PRO   8           2HD      PRO   8   3.694 -11.806  -4.753
   75    HD3  PRO   8           3HD      PRO   8   4.680 -11.243  -3.388
   76    H    LYS   9           H        LYS   9   6.100 -16.628  -3.212
   77    HA   LYS   9           HA       LYS   9   3.876 -18.042  -4.294
   78    HB2  LYS   9           2HB      LYS   9   5.108 -16.844  -6.283
   79    HB3  LYS   9           3HB      LYS   9   6.268 -18.152  -6.091
   80    HG2  LYS   9           2HG      LYS   9   3.428 -18.938  -6.231
   81    HG3  LYS   9           3HG      LYS   9   4.141 -18.287  -7.708
   82    HD2  LYS   9           2HD      LYS   9   5.451 -20.094  -8.020
   83    HD3  LYS   9           3HD      LYS   9   5.798 -20.263  -6.297
   84    HE2  LYS   9           2HE      LYS   9   3.691 -21.349  -5.922
   85    HE3  LYS   9           3HE      LYS   9   3.177 -21.025  -7.577
   86    HZ1  LYS   9           3HZ      LYS   9   3.879 -23.186  -7.724
   87    HZ2  LYS   9           1HZ      LYS   9   5.118 -22.995  -6.588
   88    HZ3  LYS   9           2HZ      LYS   9   5.302 -22.378  -8.152
   89    H    PHE  10           H        PHE  10   4.205 -20.330  -4.331
   90    HA   PHE  10           HA       PHE  10   4.935 -22.255  -3.355
   91    HB2  PHE  10           2HB      PHE  10   6.778 -21.558  -5.136
   92    HB3  PHE  10           3HB      PHE  10   7.774 -21.405  -3.693
   93    HD1  PHE  10           HD2      PHE  10   6.898 -23.584  -2.014
   94    HD2  PHE  10           HD1      PHE  10   7.433 -23.470  -6.235
   95    HE1  PHE  10           HE2      PHE  10   7.290 -26.013  -2.026
   96    HE2  PHE  10           HE1      PHE  10   7.825 -25.899  -6.254
   97    HZ   PHE  10           HZ       PHE  10   7.755 -27.174  -4.148
   98    H    ARG  11           H        ARG  11   4.158 -20.814  -1.381
   99    HA   ARG  11           HA       ARG  11   6.330 -20.908   0.606
  100    HB2  ARG  11           2HB      ARG  11   5.369 -19.003   1.745
  101    HB3  ARG  11           3HB      ARG  11   5.679 -18.579   0.066
  102    HG2  ARG  11           2HG      ARG  11   2.977 -19.534   0.920
  103    HG3  ARG  11           3HG      ARG  11   3.461 -17.853   1.155
  104    HD2  ARG  11           2HD      ARG  11   4.189 -18.157  -1.400
  105    HD3  ARG  11           3HD      ARG  11   2.883 -19.340  -1.338
  106    HE   ARG  11           HE       ARG  11   2.202 -16.759  -0.251
  107   HH11  ARG  11          1HH1      ARG  11   2.322 -18.749  -3.105
  108   HH12  ARG  11          2HH1      ARG  11   1.099 -17.850  -3.941
  109   HH21  ARG  11          1HH2      ARG  11   0.592 -15.568  -1.342
  110   HH22  ARG  11          2HH2      ARG  11   0.117 -16.040  -2.938
  111    H    LYS  12           H        LYS  12   5.825 -21.704   2.638
  112    HA   LYS  12           HA       LYS  12   3.533 -23.466   2.722
  113    HB2  LYS  12           2HB      LYS  12   5.566 -24.382   3.559
  114    HB3  LYS  12           3HB      LYS  12   5.849 -22.989   4.594
  115    HG2  LYS  12           2HG      LYS  12   4.690 -23.885   6.258
  116    HG3  LYS  12           3HG      LYS  12   3.326 -24.258   5.201
  117    HD2  LYS  12           2HD      LYS  12   5.781 -25.942   5.036
  118    HD3  LYS  12           3HD      LYS  12   4.679 -26.173   6.395
  119    HE2  LYS  12           2HE      LYS  12   2.828 -26.345   4.658
  120    HE3  LYS  12           3HE      LYS  12   4.112 -26.478   3.458
  121    HZ1  LYS  12           3HZ      LYS  12   3.598 -28.317   5.730
  122    HZ2  LYS  12           1HZ      LYS  12   4.966 -28.401   4.737
  123    HZ3  LYS  12           2HZ      LYS  12   3.428 -28.659   4.082
  124    H    PHE  13           H        PHE  13   4.824 -21.037   5.000
  125    HA   PHE  13           HA       PHE  13   2.198 -20.753   6.202
  126    HB2  PHE  13           2HB      PHE  13   4.965 -19.898   6.893
  127    HB3  PHE  13           3HB      PHE  13   3.634 -18.937   7.529
  128    HD1  PHE  13           HD1      PHE  13   1.877 -20.076   8.921
  129    HD2  PHE  13           HD2      PHE  13   5.546 -21.951   7.856
  130    HE1  PHE  13           HE1      PHE  13   1.569 -21.703  10.741
  131    HE2  PHE  13           HE2      PHE  13   5.244 -23.582   9.674
  132    HZ   PHE  13           HZ       PHE  13   3.253 -23.460  11.118
  133    H    LYS  14           H        LYS  14   1.665 -18.344   6.817
  134    HA   LYS  14           HA       LYS  14   2.028 -16.647   4.441
  135    HB2  LYS  14           2HB      LYS  14  -0.533 -17.344   5.861
  136    HB3  LYS  14           3HB      LYS  14  -0.385 -15.883   4.894
  137    HG2  LYS  14           2HG      LYS  14   0.092 -18.674   3.871
  138    HG3  LYS  14           3HG      LYS  14  -1.407 -17.763   3.672
  139    HD2  LYS  14           2HD      LYS  14   0.286 -15.956   2.696
  140    HD3  LYS  14           3HD      LYS  14   1.229 -17.408   2.353
  141    HE2  LYS  14           2HE      LYS  14  -1.667 -17.227   1.599
  142    HE3  LYS  14           3HE      LYS  14  -0.415 -16.544   0.563
  143    HZ1  LYS  14           3HZ      LYS  14  -1.158 -19.283   0.959
  144    HZ2  LYS  14           1HZ      LYS  14   0.507 -19.036   1.132
  145    HZ3  LYS  14           2HZ      LYS  14  -0.272 -18.576  -0.297
  146    H    LEU  15           H        LEU  15   2.366 -14.513   4.825
  147    HA   LEU  15           HA       LEU  15   3.036 -12.674   5.992
  148    HB2  LEU  15           2HB      LEU  15   0.547 -13.560   7.385
  149    HB3  LEU  15           3HB      LEU  15   1.466 -12.197   8.021
  150    HG   LEU  15           HG       LEU  15  -0.402 -11.459   6.632
  151   HD11  LEU  15          1HD1      LEU  15   0.973  -9.742   6.312
  152   HD12  LEU  15          2HD1      LEU  15   1.388 -10.473   4.761
  153   HD13  LEU  15          3HD1      LEU  15   2.379 -10.799   6.183
  154   HD21  LEU  15          3HD2      LEU  15   0.967 -12.649   4.245
  155   HD22  LEU  15          1HD2      LEU  15  -0.675 -12.022   4.388
  156   HD23  LEU  15          2HD2      LEU  15  -0.247 -13.553   5.151
  157    H    TYR  16           H        TYR  16   4.355 -15.135   6.668
  158    HA   TYR  16           HA       TYR  16   4.647 -15.587   9.399
  159    HB2  TYR  16           2HB      TYR  16   7.010 -16.363   8.702
  160    HB3  TYR  16           3HB      TYR  16   5.624 -17.195   8.007
  161    HD1  TYR  16           HD2      TYR  16   7.556 -14.093   7.190
  162    HD2  TYR  16           HD1      TYR  16   5.929 -17.772   5.803
  163    HE1  TYR  16           HE2      TYR  16   8.406 -13.611   4.932
  164    HE2  TYR  16           HE1      TYR  16   6.775 -17.300   3.542
  165    HH   TYR  16           HH       TYR  16   8.943 -14.676   2.901
  166    H    HIS  17           H        HIS  17   7.079 -15.247  10.324
  167    HA   HIS  17           HA       HIS  17   7.287 -12.363  10.642
  168    HB2  HIS  17           2HB      HIS  17   7.271 -13.802  12.642
  169    HB3  HIS  17           3HB      HIS  17   8.738 -14.597  12.079
  170    HD1  HIS  17           HD1      HIS  17   7.685 -11.001  12.791
  171    HD2  HIS  17           HD2      HIS  17  10.922 -13.561  13.267
  172    HE1  HIS  17           HE1      HIS  17   9.437  -9.654  13.992
  173    H    GLU  18           H        GLU  18   8.070 -12.301   8.320
  174    HA   GLU  18           HA       GLU  18  10.963 -12.117   8.363
  175    HB2  GLU  18           2HB      GLU  18   9.785 -14.400   7.285
  176    HB3  GLU  18           3HB      GLU  18  10.141 -13.395   5.887
  177    HG2  GLU  18           2HG      GLU  18  12.002 -14.822   6.252
  178    HG3  GLU  18           3HG      GLU  18  12.479 -13.189   6.712
  179    H    GLY  19           H        GLY  19  10.734  -9.907   8.116
  180    HA2  GLY  19           2HA      GLY  19  10.626  -7.955   6.908
  181    HA3  GLY  19           3HA      GLY  19  10.508  -8.945   5.461
  182    H    LYS  20           H        LYS  20   8.957  -6.662   7.247
  183    HA   LYS  20           HA       LYS  20   6.250  -7.575   6.957
  184    HB2  LYS  20           2HB      LYS  20   7.601  -5.129   7.961
  185    HB3  LYS  20           3HB      LYS  20   5.948  -4.941   7.391
  186    HG2  LYS  20           2HG      LYS  20   5.558  -5.397   9.585
  187    HG3  LYS  20           3HG      LYS  20   5.534  -7.036   8.931
  188    HD2  LYS  20           2HD      LYS  20   7.644  -7.535   9.773
  189    HD3  LYS  20           3HD      LYS  20   8.089  -5.835   9.933
  190    HE2  LYS  20           2HE      LYS  20   6.761  -5.557  11.849
  191    HE3  LYS  20           3HE      LYS  20   5.870  -7.049  11.550
  192    HZ1  LYS  20           3HZ      LYS  20   8.329  -6.655  12.955
  193    HZ2  LYS  20           1HZ      LYS  20   8.462  -7.858  11.773
  194    HZ3  LYS  20           2HZ      LYS  20   7.278  -7.980  12.975
  195    H    PHE  21           H        PHE  21   5.933  -8.016   4.780
  196    HA   PHE  21           HA       PHE  21   4.980  -5.931   3.180
  197    HB2  PHE  21           2HB      PHE  21   7.690  -5.859   3.117
  198    HB3  PHE  21           3HB      PHE  21   7.373  -6.961   1.782
  199    HD1  PHE  21           HD1      PHE  21   5.237  -6.062   0.307
  200    HD2  PHE  21           HD2      PHE  21   8.013  -3.688   2.492
  201    HE1  PHE  21           HE1      PHE  21   4.748  -4.147  -1.159
  202    HE2  PHE  21           HE2      PHE  21   7.527  -1.769   1.031
  203    HZ   PHE  21           HZ       PHE  21   5.892  -1.997  -0.797
  204    H    TRP  22           H        TRP  22   3.321  -7.070   2.415
  205    HA   TRP  22           HA       TRP  22   3.909  -9.510   0.894
  206    HB2  TRP  22           2HB      TRP  22   2.001  -9.196   3.172
  207    HB3  TRP  22           3HB      TRP  22   1.560 -10.268   1.846
  208    HD1  TRP  22           HD1      TRP  22   4.382  -9.825   4.456
  209    HE1  TRP  22           HE1      TRP  22   5.398 -12.141   4.932
  210    HE3  TRP  22           HE3      TRP  22   1.776 -12.575   1.023
  211    HZ2  TRP  22           HZ2      TRP  22   5.131 -14.785   3.977
  212    HZ3  TRP  22           HZ3      TRP  22   2.216 -14.991   0.868
  213    HH2  TRP  22           HH2      TRP  22   3.860 -16.071   2.315
  214    H    CYS  23           H        CYS  23   3.734  -8.013  -0.905
  215    HA   CYS  23           HA       CYS  23   1.217  -8.101  -2.150
  216    HB2  CYS  23           2HB      CYS  23   0.868  -6.252  -0.416
  217    HB3  CYS  23           3HB      CYS  23   1.984  -5.289  -1.380
  218    HA   PRO  24           HA       PRO  24   4.630  -7.676  -5.103
  219    HB2  PRO  24           2HB      PRO  24   3.372  -9.058  -7.072
  220    HB3  PRO  24           3HB      PRO  24   4.232  -9.846  -5.744
  221    HG2  PRO  24           2HG      PRO  24   1.298  -9.350  -6.070
  222    HG3  PRO  24           3HG      PRO  24   2.129 -10.806  -5.490
  223    HD2  PRO  24           2HD      PRO  24   0.979  -9.019  -3.812
  224    HD3  PRO  24           3HD      PRO  24   2.430  -9.943  -3.374