*HEADER    ANTIMICROBIAL PROTEIN                   20-MAY-19   6RRL              
*TITLE     SOLUTION NMR STRUCTURE OF THE PEPTIDE 3967 FROM MEDICINAL LEECH HIRUDO
*TITLE    2 MEDICINALIS IN DODECYLPHOSPHOCHOLINE MICELLES                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE 3967;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS;                             
*SOURCE   4 ORGANISM_TAXID: 6421                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDES, MEDICINAL LEECH, HIRUDO MEDICINALIS, GENOME,  
*KEYWDS   2 PREDICTION ALGORITHM, DOOECYLPHOSPHOCHOLINE MICELLES, ANTIMICROBIAL  
*KEYWDS   3 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.D.NADEZHDIN,E.N.GRAFSKAIA,A.S.ARSENIEV,V.N.LAZAREV                  
*REVDAT   1   24-JUL-19 6RRL    0                                                
# Restraints file 1: noesy.upl
  3 ILE  HG13    4 MET  H       5.27  #peak 2 #plist 1
  3 ILE  HG12    4 MET  H       4.97  #peak 4 #plist 1
  3 ILE  HA      3 ILE  QG2     3.30  #peak 10 #plist 1
  8 ARG  QB      8 ARG  QD      3.66  #peak 31 #plist 1
  2 ARG  HA      2 ARG  QD      4.73  #peak 39 #plist 1
 11 LYS  H      11 LYS  QG      4.72  #peak 58 #plist 1
 10 LEU  H      11 LYS  H       3.76  #peak 59 #plist 1
  9 VAL  HA     11 LYS  H       4.76  #peak 60 #plist 1
 10 LEU  HB3    11 LYS  H       4.30  #peak 63 #plist 1
 11 LYS  H      11 LYS  QB      3.55  #peak 64 #plist 1
 11 LYS  H      11 LYS  HD3     4.33  #peak 65 #plist 1
 10 LEU  HA     11 LYS  H       3.44  #peak 66 #plist 1
 11 LYS  H      11 LYS  HD2     4.41  #peak 68 #plist 1
 11 LYS  H      11 LYS  QZ      5.18  #peak 69 #plist 1
 10 LEU  HG     11 LYS  H       4.70  #peak 70 #plist 1
  6 ILE  HA      9 VAL  QG2     3.75  #peak 82 #plist 1
  9 VAL  HA      9 VAL  QG2     3.38  #peak 85 #plist 1
  4 MET  HG3     4 MET  QE      3.24  #peak 90 #plist 1
  4 MET  HG2     4 MET  QE      3.68  #peak 92 #plist 1
  4 MET  HA      4 MET  QE      3.38  #peak 94 #plist 1
  4 MET  H       4 MET  QE      3.88  #peak 95 #plist 1
  3 ILE  QD1     4 MET  HG3     4.63  #peak 100 #plist 1
  4 MET  H       4 MET  HG3     4.47  #peak 104 #plist 1
  6 ILE  HA      6 ILE  QG2     3.32  #peak 105 #plist 1
  6 ILE  QG2     6 ILE  HG13    3.58  #peak 109 #plist 1
  4 MET  HB3     4 MET  QE      2.40  #peak 121 #plist 1
  3 ILE  QG2     3 ILE  HG12    2.55  #peak 133 #plist 1
  2 ARG  HG3     3 ILE  H       5.07  #peak 142 #plist 1
  2 ARG  HA      2 ARG  HG3     4.10  #peak 145 #plist 1
  9 VAL  QG2    10 LEU  H       4.23  #peak 147 #plist 1
  6 ILE  QG2    10 LEU  H       4.97  #peak 148 #plist 1
  8 ARG  HA     10 LEU  H       4.78  #peak 151 #plist 1
  7 LEU  HA     10 LEU  H       4.59  #peak 152 #plist 1
 10 LEU  H      10 LEU  HB3     3.85  #peak 155 #plist 1
  9 VAL  QG1    10 LEU  H       4.30  #peak 156 #plist 1
  9 VAL  HB     10 LEU  H       4.19  #peak 159 #plist 1
 10 LEU  H      10 LEU  HB2     3.39  #peak 160 #plist 1
 10 LEU  H      10 LEU  HG      3.52  #peak 162 #plist 1
  2 ARG  HB3     2 ARG  HE      4.44  #peak 169 #plist 1
 10 LEU  H      10 LEU  QD2     4.06  #peak 171 #plist 1
 10 LEU  HB3    10 LEU  QD2     3.20  #peak 173 #plist 1
 10 LEU  HA     10 LEU  QD2     3.02  #peak 174 #plist 1
 10 LEU  HB2    10 LEU  QD2     3.71  #peak 175 #plist 1
  4 MET  HA      7 LEU  HB2     3.99  #peak 183 #plist 1
  1 PHE  QD      3 ILE  HA      4.03  #peak 186 #plist 1
  1 PHE  QD      3 ILE  HG12    4.70  #peak 187 #plist 1
  1 PHE  QD      6 ILE  HG13    4.44  #peak 190 #plist 1
  1 PHE  QD      3 ILE  QD1     3.63  #peak 191 #plist 1
  1 PHE  HA      1 PHE  QD      3.82  #peak 192 #plist 1
  1 PHE  QD      6 ILE  QD1     4.26  #peak 194 #plist 1
  1 PHE  QD      3 ILE  HB      4.23  #peak 195 #plist 1
  5 ARG  HA      5 ARG  HG3     4.16  #peak 196 #plist 1
  7 LEU  HB2     7 LEU  HG      2.80  #peak 213 #plist 1
  7 LEU  HA      7 LEU  HG      3.97  #peak 215 #plist 1
  8 ARG  HA      8 ARG  HG2     4.12  #peak 221 #plist 1
  2 ARG  HB2     5 ARG  HA      4.71  #peak 229 #plist 1
  2 ARG  HB2     2 ARG  HE      3.77  #peak 231 #plist 1
  3 ILE  HA      6 ILE  H       4.76  #peak 238 #plist 1
  6 ILE  H       6 ILE  QG2     3.88  #peak 241 #plist 1
  6 ILE  H       7 LEU  H       3.70  #peak 243 #plist 1
  6 ILE  H       6 ILE  HG13    4.09  #peak 244 #plist 1
  4 MET  HA      6 ILE  H       4.88  #peak 245 #plist 1
  6 ILE  H       6 ILE  HB      3.36  #peak 246 #plist 1
  6 ILE  H       6 ILE  HG12    3.77  #peak 247 #plist 1
  4 MET  H       6 ILE  H       5.46  #peak 250 #plist 1
  7 LEU  H       7 LEU  HB2     3.44  #peak 271 #plist 1
  7 LEU  H       7 LEU  HG      3.43  #peak 272 #plist 1
  7 LEU  H       7 LEU  HB3     3.78  #peak 276 #plist 1
  4 MET  HA      7 LEU  H       4.12  #peak 277 #plist 1
  6 ILE  HB      7 LEU  H       3.73  #peak 278 #plist 1
  7 LEU  H       7 LEU  QD2     3.95  #peak 279 #plist 1
  7 LEU  H       7 LEU  QD1     3.73  #peak 280 #plist 1
 12 LEU  H      12 LEU  HB3     3.89  #peak 281 #plist 1
 11 LYS  H      12 LEU  H       3.77  #peak 283 #plist 1
 10 LEU  H      12 LEU  H       5.25  #peak 284 #plist 1
 12 LEU  H      12 LEU  HB2     3.56  #peak 286 #plist 1
 11 LYS  QB     12 LEU  H       4.19  #peak 287 #plist 1
 12 LEU  H      12 LEU  HG      3.67  #peak 289 #plist 1
 11 LYS  HA     12 LEU  H       3.33  #peak 290 #plist 1
 12 LEU  H      12 LEU  QD1     4.43  #peak 291 #plist 1
  1 PHE  QE      3 ILE  QD1     4.71  #peak 294 #plist 1
  1 PHE  QE      6 ILE  QD1     5.23  #peak 297 #plist 1
 12 LEU  HB2    12 LEU  QD1     3.40  #peak 304 #plist 1
  7 LEU  HB3     7 LEU  QD2     3.77  #peak 310 #plist 1
  5 ARG  HA      5 ARG  HE      5.17  #peak 312 #plist 1
  5 ARG  QB      5 ARG  HE      4.22  #peak 315 #plist 1
 11 LYS  H      11 LYS  QE      5.50  #peak 328 #plist 1
  2 ARG  H       2 ARG  QD      5.50  #peak 345 #plist 1
  2 ARG  H       2 ARG  HG3     5.08  #peak 346 #plist 1
  2 ARG  H       2 ARG  HE      5.50  #peak 347 #plist 1
  2 ARG  H       3 ILE  H       4.80  #peak 350 #plist 1
  2 ARG  H       2 ARG  HG2     4.76  #peak 351 #plist 1
  1 PHE  QB      2 ARG  H       5.05  #peak 355 #plist 1
  9 VAL  HA      9 VAL  QG1     3.42  #peak 366 #plist 1
 11 LYS  QB     11 LYS  QE      5.12  #peak 373 #plist 1
  3 ILE  HA      3 ILE  QD1     3.01  #peak 379 #plist 1
  4 MET  HB2     4 MET  QE      2.40  #peak 390 #plist 1
  3 ILE  QG2     4 MET  HG2     4.27  #peak 400 #plist 1
  3 ILE  QG2     3 ILE  QD1     2.40  #peak 401 #plist 1
  3 ILE  QG2     3 ILE  HG13    3.08  #peak 404 #plist 1
  3 ILE  QG2     5 ARG  H       4.68  #peak 407 #plist 1
  3 ILE  H       3 ILE  HG12    4.18  #peak 410 #plist 1
  2 ARG  HB2     3 ILE  H       4.90  #peak 412 #plist 1
  3 ILE  H       3 ILE  QD1     2.96  #peak 414 #plist 1
  3 ILE  H       3 ILE  QG2     3.15  #peak 415 #plist 1
  2 ARG  HG2     3 ILE  H       5.30  #peak 417 #plist 1
  2 ARG  HA      3 ILE  H       3.25  #peak 419 #plist 1
  3 ILE  H       3 ILE  HG13    4.30  #peak 420 #plist 1
  3 ILE  H       3 ILE  HB      3.47  #peak 421 #plist 1
  2 ARG  HB2     2 ARG  HG2     2.61  #peak 425 #plist 1
 11 LYS  QB     11 LYS  HD3     4.20  #peak 434 #plist 1
 11 LYS  HA     11 LYS  HD3     4.49  #peak 436 #plist 1
  5 ARG  QB      5 ARG  HD2     4.18  #peak 457 #plist 1
  2 ARG  HB3     3 ILE  H       4.15  #peak 464 #plist 1
 12 LEU  HB3    12 LEU  QD2     3.67  #peak 468 #plist 1
 12 LEU  HA     12 LEU  QD2     3.16  #peak 469 #plist 1
 12 LEU  H      12 LEU  QD2     4.29  #peak 470 #plist 1
 12 LEU  HB2    12 LEU  QD2     3.86  #peak 471 #plist 1
  5 ARG  HA      5 ARG  HG2     4.01  #peak 475 #plist 1
  1 PHE  HA      1 PHE  QE      5.50  #peak 484 #plist 1
  8 ARG  H       8 ARG  QB      3.15  #peak 488 #plist 1
  5 ARG  HA      8 ARG  H       4.13  #peak 489 #plist 1
  8 ARG  H       8 ARG  HG2     3.95  #peak 491 #plist 1
  8 ARG  H       9 VAL  H       3.67  #peak 494 #plist 1
  8 ARG  H       8 ARG  HG3     4.11  #peak 495 #plist 1
  8 ARG  H       8 ARG  HE      5.04  #peak 496 #plist 1
  8 ARG  H       8 ARG  QD      4.76  #peak 497 #plist 1
  2 ARG  HA      2 ARG  HE      5.50  #peak 500 #plist 1
 12 LEU  HA     12 LEU  HG      4.17  #peak 508 #plist 1
 12 LEU  HB2    12 LEU  HG      2.40  #peak 510 #plist 1
  8 ARG  QB      9 VAL  H       3.76  #peak 522 #plist 1
  9 VAL  H       9 VAL  QG2     3.35  #peak 523 #plist 1
  9 VAL  H      10 LEU  H       3.44  #peak 524 #plist 1
  8 ARG  HG2     9 VAL  H       4.67  #peak 526 #plist 1
  7 LEU  HA      9 VAL  H       4.71  #peak 527 #plist 1
  9 VAL  H       9 VAL  QG1     3.77  #peak 529 #plist 1
  9 VAL  H       9 VAL  HB      3.56  #peak 532 #plist 1
  7 LEU  QD2     9 VAL  H       4.91  #peak 533 #plist 1
  8 ARG  HG3     9 VAL  H       4.83  #peak 534 #plist 1
 11 LYS  HA     11 LYS  QE      5.50  #peak 538 #plist 1
  6 ILE  QG2     6 ILE  HG12    3.98  #peak 553 #plist 1
 11 LYS  HA     11 LYS  HD2     4.35  #peak 564 #plist 1
  6 ILE  HA      9 VAL  HB      4.62  #peak 574 #plist 1
  1 PHE  QB      3 ILE  QG2     4.80  #peak 584 #plist 1
  7 LEU  HB2     7 LEU  QD2     3.62  #peak 587 #plist 1
  7 LEU  HA      7 LEU  QD2     3.13  #peak 589 #plist 1
  3 ILE  HA      6 ILE  QD1     4.29  #peak 595 #plist 1
  6 ILE  HA      6 ILE  QD1     4.13  #peak 596 #plist 1
  6 ILE  QG2     6 ILE  QD1     2.40  #peak 597 #plist 1
  6 ILE  H       6 ILE  QD1     4.53  #peak 599 #plist 1
  6 ILE  HB      6 ILE  QD1     3.83  #peak 602 #plist 1
  8 ARG  HA      8 ARG  HG3     4.07  #peak 606 #plist 1
  7 LEU  HA     10 LEU  HB2     4.56  #peak 615 #plist 1
  3 ILE  HB      3 ILE  QD1     2.48  #peak 624 #plist 1
  3 ILE  HA      5 ARG  H       4.78  #peak 630 #plist 1
  4 MET  HG3     5 ARG  H       5.50  #peak 632 #plist 1
  4 MET  HB3     5 ARG  H       4.29  #peak 633 #plist 1
  5 ARG  H       5 ARG  HG3     4.25  #peak 634 #plist 1
  5 ARG  H       6 ILE  H       3.66  #peak 635 #plist 1
  5 ARG  H       5 ARG  HE      5.50  #peak 636 #plist 1
  4 MET  HG2     5 ARG  H       5.50  #peak 637 #plist 1
  4 MET  HB2     5 ARG  H       4.55  #peak 638 #plist 1
  5 ARG  H       5 ARG  QB      3.34  #peak 641 #plist 1
  5 ARG  H       5 ARG  HG2     4.26  #peak 642 #plist 1
  5 ARG  H       5 ARG  HD3     5.37  #peak 646 #plist 1
  4 MET  H       4 MET  HB3     3.87  #peak 650 #plist 1
  4 MET  H       4 MET  HG2     4.00  #peak 652 #plist 1
  3 ILE  QD1     4 MET  H       3.10  #peak 653 #plist 1
  4 MET  H       4 MET  HB2     3.69  #peak 654 #plist 1
  3 ILE  QG2     4 MET  H       3.34  #peak 655 #plist 1
  3 ILE  HB      4 MET  H       3.95  #peak 657 #plist 1
  4 MET  H       5 ARG  H       3.93  #peak 658 #plist 1
 10 LEU  H      10 LEU  QD1     4.13  #peak 660 #plist 1
  7 LEU  HA     10 LEU  QD1     4.02  #peak 662 #plist 1
 10 LEU  HB3    10 LEU  QD1     3.33  #peak 663 #plist 1
 10 LEU  HA     10 LEU  QD1     4.01  #peak 664 #plist 1
 10 LEU  HB2    10 LEU  QD1     3.33  #peak 665 #plist 1
  8 ARG  QB      8 ARG  HE      4.55  #peak 668 #plist 1
  8 ARG  HA      8 ARG  HE      5.50  #peak 669 #plist 1
 11 LYS  QG     11 LYS  QZ      5.50  #peak 676 #plist 1
 11 LYS  QB     11 LYS  QZ      5.50  #peak 678 #plist 1
 11 LYS  HA     11 LYS  QZ      5.50  #peak 680 #plist 1
  7 LEU  HB2     7 LEU  QD1     3.27  #peak 683 #plist 1
  7 LEU  HA      7 LEU  QD1     4.10  #peak 685 #plist 1
  7 LEU  HB3     7 LEU  QD1     3.29  #peak 687 #plist 1
  4 MET  HA      7 LEU  QD1     3.54  #peak 688 #plist 1
  5 ARG  HA      5 ARG  HD2     4.89  #peak 691 #plist 1
  5 ARG  H       5 ARG  HD2     5.50  #peak 696 #plist 1
  5 ARG  HA      5 ARG  HD3     4.57  #peak 699 #plist 1
  5 ARG  QB      5 ARG  HD3     4.08  #peak 702 #plist 1
  8 ARG  HA      8 ARG  QD      4.25  #peak 708 #plist 1
 12 LEU  HB3    12 LEU  QD1     3.33  #peak 714 #plist 1
 12 LEU  HA     12 LEU  QD1     4.39  #peak 715 #plist 1
 10 LEU  HA     10 LEU  HG      4.23  #peak 725 #plist 1
# Restraints file 2: chi.aco

6 ILE CHI1 -90 -30

7 LEU CHI1 -90 -30
7 LEU CHI2 150 210

9 VAL CHI1 150 210

#10 LEU CHI1 -90 -30
#10 LEU CHI2 150 210

3 ILE CHI1 -90 -30
#6 ILE CHI12 150 210# Restraints file 3: hbond.lol
  1 PHE  O       3 ILE  H       1.70  9.00E+00
  1 PHE  C       3 ILE  H       2.60  9.00E+00
  1 PHE  O       3 ILE  N       2.60  9.00E+00
  3 ILE  O       6 ILE  H       1.70  9.00E+00
  3 ILE  C       6 ILE  H       2.60  9.00E+00
  3 ILE  O       6 ILE  N       2.60  9.00E+00
  3 ILE  O       7 LEU  H       1.70  9.00E+00
  3 ILE  C       7 LEU  H       2.60  9.00E+00
  3 ILE  O       7 LEU  N       2.60  9.00E+00
  6 ILE  O       9 VAL  H       1.70  9.00E+00
  6 ILE  C       9 VAL  H       2.60  9.00E+00
  6 ILE  O       9 VAL  N       2.60  9.00E+00
  4 MET  O       8 ARG  H       1.70  9.00E+00
  4 MET  C       8 ARG  H       2.60  9.00E+00
  4 MET  O       8 ARG  N       2.60  9.00E+00
  7 LEU  O      10 LEU  H       1.70  9.00E+00
  7 LEU  C      10 LEU  H       2.60  9.00E+00
  7 LEU  O      10 LEU  N       2.60  9.00E+00
  8 ARG  O      11 LYS  H       1.70  9.00E+00
  8 ARG  C      11 LYS  H       2.60  9.00E+00
  8 ARG  O      11 LYS  N       2.60  9.00E+00
# Restraints file 4: hbond.upl
  1 PHE  O       3 ILE  H       2.20  9.00E+00
  1 PHE  C       3 ILE  H       3.30  9.00E+00
  1 PHE  O       3 ILE  N       3.30  9.00E+00
  3 ILE  O       6 ILE  H       2.20  9.00E+00
  3 ILE  C       6 ILE  H       3.30  9.00E+00
  3 ILE  O       6 ILE  N       3.30  9.00E+00
  3 ILE  O       7 LEU  H       2.20  9.00E+00
  3 ILE  C       7 LEU  H       3.30  9.00E+00
  3 ILE  O       7 LEU  N       3.30  9.00E+00
  6 ILE  O       9 VAL  H       2.20  9.00E+00
  6 ILE  C       9 VAL  H       3.30  9.00E+00
  6 ILE  O       9 VAL  N       3.30  9.00E+00
  4 MET  O       8 ARG  H       2.20  9.00E+00
  4 MET  C       8 ARG  H       3.30  9.00E+00
  4 MET  O       8 ARG  N       3.30  9.00E+00
  7 LEU  O      10 LEU  H       2.20  9.00E+00
  7 LEU  C      10 LEU  H       3.30  9.00E+00
  7 LEU  O      10 LEU  N       3.30  9.00E+00
  8 ARG  O      11 LYS  H       2.20  9.00E+00
  8 ARG  C      11 LYS  H       3.30  9.00E+00
  8 ARG  O      11 LYS  N       3.30  9.00E+00
# Restraints file 5: talos.aco

#    2 R  -87.618  103.933    9.144   20.730    1.264 0.664 25 11 Strong
   2   ARG  PHI    -107.6   -67.6
   2   ARG  PSI      62.5   145.4

#    3 I  -64.684  -32.807    5.580    7.189    0.934 0.691 10 12 Generous
   3   ILE  PHI     -94.7   -34.7
   3   ILE  PSI     -62.8    -2.8

#    4 M  -66.978  -33.761    5.133    5.561    0.721 0.713 25 12 Strong
   4   MET  PHI     -87.0   -47.0
   4   MET  PSI     -53.8   -13.8

#    5 R  -69.529  -34.811    4.592    5.566    0.503 0.750 25 12 Strong
   5   ARG  PHI     -89.5   -49.5
   5   ARG  PSI     -54.8   -14.8

#    6 I  -67.703  -39.752    4.462    5.933    0.392 0.768 25 12 Strong
   6   ILE  PHI     -87.7   -47.7
   6   ILE  PSI     -59.8   -19.8

#    7 L  -67.629  -36.900    4.253    5.201    0.398 0.765 25 12 Strong
   7   LEU  PHI     -87.6   -47.6
   7   LEU  PSI     -56.9   -16.9

#    8 R  -66.735  -29.669    4.933    8.255    0.403 0.729 25 12 Strong
   8   ARG  PHI     -86.7   -46.7
   8   ARG  PSI     -49.7    -9.7

#    9 V  -77.783  -19.303    7.788   10.874    0.531 0.699 25 12 Strong
   9   VAL  PHI     -97.8   -57.8
   9   VAL  PSI     -41.1     2.4

#   11 K  -84.020  103.107    9.815   20.688    1.100 0.633 25 12 Strong
#  11   LYS  PHI    -104.0   -64.0
#  11   LYS  PSI      61.7   144.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H        PHE   1   1.807   0.001   0.856
    2    HA   PHE   1           HA       PHE   1   2.376   1.019  -1.456
    3    HB2  PHE   1           HB2      PHE   1   3.850  -0.579  -0.162
    4    HB3  PHE   1           HB3      PHE   1   3.085  -1.889  -1.055
    5    HD1  PHE   1           HD1      PHE   1   3.165  -1.701  -3.644
    6    HD2  PHE   1           HD2      PHE   1   5.745   0.424  -1.009
    7    HE1  PHE   1           HE1      PHE   1   4.779  -1.397  -5.475
    8    HE2  PHE   1           HE2      PHE   1   7.363   0.732  -2.837
    9    HZ   PHE   1           HZ       PHE   1   6.881  -0.178  -5.073
   10    H    ARG   2           H        ARG   2   1.929   0.919  -3.596
   11    HA   ARG   2           HA       ARG   2  -0.402  -0.554  -4.405
   12    HB2  ARG   2           HB2      ARG   2  -0.026   0.555  -6.600
   13    HB3  ARG   2           HB3      ARG   2  -0.108   1.682  -5.253
   14    HG2  ARG   2           HG2      ARG   2   2.564   1.193  -5.388
   15    HG3  ARG   2           HG3      ARG   2   2.092   1.093  -7.086
   16    HD2  ARG   2           HD2      ARG   2   0.973   3.351  -5.548
   17    HD3  ARG   2           HD3      ARG   2   2.711   3.396  -5.838
   18    HE   ARG   2           HE       ARG   2   1.233   2.820  -8.212
   19   HH11  ARG   2          HH11      ARG   2   2.269   5.385  -6.098
   20   HH12  ARG   2          HH12      ARG   2   2.208   6.602  -7.330
   21   HH21  ARG   2          HH21      ARG   2   1.150   4.413  -9.843
   22   HH22  ARG   2          HH22      ARG   2   1.571   6.048  -9.460
   23    H    ILE   3           H        ILE   3   0.751  -2.651  -3.881
   24    HA   ILE   3           HA       ILE   3   2.815  -3.613  -5.561
   25    HB   ILE   3           HB       ILE   3   0.765  -5.232  -4.045
   26   HG12  ILE   3          HG12      ILE   3   3.144  -5.290  -2.633
   27   HG13  ILE   3          HG13      ILE   3   3.036  -3.616  -3.167
   28   HG21  ILE   3          HG21      ILE   3   1.758  -6.818  -5.340
   29   HG22  ILE   3          HG22      ILE   3   3.250  -5.895  -5.521
   30   HG23  ILE   3          HG23      ILE   3   2.928  -6.766  -4.022
   31   HD11  ILE   3          HD11      ILE   3   1.286  -5.134  -1.309
   32   HD12  ILE   3          HD12      ILE   3   1.944  -3.503  -1.170
   33   HD13  ILE   3          HD13      ILE   3   0.589  -3.818  -2.254
   34    H    MET   4           H        MET   4  -0.699  -4.210  -5.572
   35    HA   MET   4           HA       MET   4  -0.859  -5.876  -7.764
   36    HB2  MET   4           HB2      MET   4  -2.854  -3.705  -7.113
   37    HB3  MET   4           HB3      MET   4  -3.166  -5.210  -7.967
   38    HG2  MET   4           HG2      MET   4  -2.037  -5.877  -5.466
   39    HG3  MET   4           HG3      MET   4  -3.292  -4.674  -5.181
   40    HE1  MET   4           HE1      MET   4  -3.858  -7.994  -8.022
   41    HE2  MET   4           HE2      MET   4  -2.328  -7.526  -7.281
   42    HE3  MET   4           HE3      MET   4  -3.283  -8.833  -6.581
   43    H    ARG   5           H        ARG   5  -0.528  -2.380  -7.665
   44    HA   ARG   5           HA       ARG   5  -1.112  -1.788 -10.330
   45    HB2  ARG   5           HB2      ARG   5   0.535  -0.482  -8.207
   46    HB3  ARG   5           HB3      ARG   5   0.659   0.114  -9.857
   47    HG2  ARG   5           HG2      ARG   5  -0.958   1.404  -8.606
   48    HG3  ARG   5           HG3      ARG   5  -1.758   0.501  -9.893
   49    HD2  ARG   5           HD2      ARG   5  -2.844  -0.879  -8.439
   50    HD3  ARG   5           HD3      ARG   5  -1.564  -0.788  -7.229
   51    HE   ARG   5           HE       ARG   5  -2.651   1.715  -7.264
   52   HH11  ARG   5          HH11      ARG   5  -3.891  -1.503  -6.786
   53   HH12  ARG   5          HH12      ARG   5  -5.167  -0.995  -5.730
   54   HH21  ARG   5          HH21      ARG   5  -4.328   2.396  -5.876
   55   HH22  ARG   5          HH22      ARG   5  -5.416   1.223  -5.214
   56    H    ILE   6           H        ILE   6   1.777  -3.088  -8.848
   57    HA   ILE   6           HA       ILE   6   3.351  -2.795 -11.264
   58    HB   ILE   6           HB       ILE   6   4.081  -4.359  -8.791
   59   HG12  ILE   6          HG12      ILE   6   4.517  -1.430  -9.411
   60   HG13  ILE   6          HG13      ILE   6   3.528  -2.091  -8.114
   61   HG21  ILE   6          HG21      ILE   6   6.026  -2.958 -10.557
   62   HG22  ILE   6          HG22      ILE   6   6.229  -4.417  -9.586
   63   HG23  ILE   6          HG23      ILE   6   5.327  -4.483 -11.101
   64   HD11  ILE   6          HD11      ILE   6   5.650  -1.265  -7.277
   65   HD12  ILE   6          HD12      ILE   6   5.525  -3.011  -7.062
   66   HD13  ILE   6          HD13      ILE   6   6.515  -2.352  -8.364
   67    H    LEU   7           H        LEU   7   1.952  -5.452  -9.364
   68    HA   LEU   7           HA       LEU   7   2.840  -7.563 -10.972
   69    HB2  LEU   7           HB2      LEU   7   0.222  -7.511  -9.494
   70    HB3  LEU   7           HB3      LEU   7   1.220  -8.912  -9.879
   71    HG   LEU   7           HG       LEU   7   1.656  -6.819  -7.770
   72   HD11  LEU   7          HD11      LEU   7   1.131  -8.438  -6.330
   73   HD12  LEU   7          HD12      LEU   7   0.482  -9.303  -7.723
   74   HD13  LEU   7          HD13      LEU   7   2.125  -9.628  -7.169
   75   HD21  LEU   7          HD21      LEU   7   3.857  -7.847  -7.360
   76   HD22  LEU   7          HD22      LEU   7   3.673  -8.792  -8.838
   77   HD23  LEU   7          HD23      LEU   7   3.774  -7.033  -8.922
   78    H    ARG   8           H        ARG   8  -0.134  -5.641 -11.123
   79    HA   ARG   8           HA       ARG   8  -1.487  -7.016 -13.104
   80    HB2  ARG   8           HB2      ARG   8  -2.662  -4.938 -13.568
   81    HB3  ARG   8           HB3      ARG   8  -2.433  -5.126 -11.835
   82    HG2  ARG   8           HG2      ARG   8  -1.524  -3.113 -11.768
   83    HG3  ARG   8           HG3      ARG   8  -0.207  -3.695 -12.788
   84    HD2  ARG   8           HD2      ARG   8  -2.740  -3.006 -14.150
   85    HD3  ARG   8           HD3      ARG   8  -1.815  -1.664 -13.476
   86    HE   ARG   8           HE       ARG   8   0.046  -3.059 -14.849
   87   HH11  ARG   8          HH11      ARG   8  -3.092  -1.806 -15.686
   88   HH12  ARG   8          HH12      ARG   8  -2.693  -1.561 -17.354
   89   HH21  ARG   8          HH21      ARG   8   0.583  -2.740 -17.043
   90   HH22  ARG   8          HH22      ARG   8  -0.603  -2.093 -18.125
   91    H    VAL   9           H        VAL   9   1.322  -4.996 -13.353
   92    HA   VAL   9           HA       VAL   9   1.242  -4.287 -16.048
   93    HB   VAL   9           HB       VAL   9   3.704  -4.972 -14.436
   94   HG11  VAL   9          HG11      VAL   9   4.584  -4.748 -16.519
   95   HG12  VAL   9          HG12      VAL   9   3.253  -3.744 -17.095
   96   HG13  VAL   9          HG13      VAL   9   4.514  -3.041 -16.083
   97   HG21  VAL   9          HG21      VAL   9   2.302  -3.316 -13.304
   98   HG22  VAL   9          HG22      VAL   9   3.799  -2.594 -13.895
   99   HG23  VAL   9          HG23      VAL   9   2.288  -2.328 -14.765
  100    H    LEU  10           H        LEU  10   2.387  -7.246 -14.495
  101    HA   LEU  10           HA       LEU  10   3.639  -8.491 -16.614
  102    HB2  LEU  10           HB2      LEU  10   1.977  -9.605 -14.372
  103    HB3  LEU  10           HB3      LEU  10   2.802 -10.641 -15.536
  104    HG   LEU  10           HG       LEU  10   4.377  -8.605 -14.022
  105   HD11  LEU  10          HD11      LEU  10   2.867 -10.736 -12.810
  106   HD12  LEU  10          HD12      LEU  10   4.600 -10.998 -12.605
  107   HD13  LEU  10          HD13      LEU  10   3.864  -9.493 -12.054
  108   HD21  LEU  10          HD21      LEU  10   5.789  -9.631 -15.479
  109   HD22  LEU  10          HD22      LEU  10   5.901 -10.780 -14.146
  110   HD23  LEU  10          HD23      LEU  10   4.848 -11.121 -15.519
  111    H    LYS  11           H        LYS  11   0.211  -8.121 -15.981
  112    HA   LYS  11           HA       LYS  11  -0.543  -9.868 -18.165
  113    HB2  LYS  11           HB2      LYS  11  -2.360  -8.016 -16.630
  114    HB3  LYS  11           HB3      LYS  11  -2.796  -9.473 -17.513
  115    HG2  LYS  11           HG2      LYS  11  -1.214  -9.328 -14.956
  116    HG3  LYS  11           HG3      LYS  11  -2.875  -9.896 -15.145
  117    HD2  LYS  11           HD2      LYS  11  -1.673 -11.508 -16.907
  118    HD3  LYS  11           HD3      LYS  11  -0.316 -11.233 -15.812
  119    HE2  LYS  11           HE2      LYS  11  -1.179 -12.877 -14.573
  120    HE3  LYS  11           HE3      LYS  11  -2.413 -11.711 -14.097
  121    HZ1  LYS  11           HZ1      LYS  11  -2.685 -14.068 -15.654
  122    HZ2  LYS  11           HZ2      LYS  11  -3.889 -13.077 -14.996
  123    HZ3  LYS  11           HZ3      LYS  11  -3.242 -12.724 -16.519
  124    H    LEU  12           H        LEU  12   1.028  -8.110 -19.324
  125    HA   LEU  12           HA       LEU  12  -0.225  -5.711 -20.190
  126    HB2  LEU  12           HB2      LEU  12   2.278  -7.084 -20.604
  127    HB3  LEU  12           HB3      LEU  12   1.658  -6.438 -22.121
  128    HG   LEU  12           HG       LEU  12   1.930  -4.727 -19.666
  129   HD11  LEU  12          HD11      LEU  12   4.140  -4.890 -19.797
  130   HD12  LEU  12          HD12      LEU  12   4.044  -5.882 -21.253
  131   HD13  LEU  12          HD13      LEU  12   4.037  -4.123 -21.382
  132   HD21  LEU  12          HD21      LEU  12   0.529  -4.011 -21.630
  133   HD22  LEU  12          HD22      LEU  12   1.842  -2.916 -21.196
  134   HD23  LEU  12          HD23      LEU  12   2.013  -3.990 -22.584
  Start of MODEL    2
    1    H1   PHE   1           H        PHE   1   1.875   1.027   0.523
    2    HA   PHE   1           HA       PHE   1   2.623   1.265  -1.703
    3    HB2  PHE   1           HB2      PHE   1   3.947  -0.423  -0.263
    4    HB3  PHE   1           HB3      PHE   1   3.180  -1.658  -1.256
    5    HD1  PHE   1           HD1      PHE   1   3.440  -1.401  -3.815
    6    HD2  PHE   1           HD2      PHE   1   5.915   0.562  -0.962
    7    HE1  PHE   1           HE1      PHE   1   5.174  -1.096  -5.534
    8    HE2  PHE   1           HE2      PHE   1   7.652   0.871  -2.677
    9    HZ   PHE   1           HZ       PHE   1   7.283   0.042  -4.966
   10    H    ARG   2           H        ARG   2   2.251   0.932  -3.863
   11    HA   ARG   2           HA       ARG   2  -0.210  -0.451  -4.518
   12    HB2  ARG   2           HB2      ARG   2   0.185   0.528  -6.795
   13    HB3  ARG   2           HB3      ARG   2   0.062   1.711  -5.499
   14    HG2  ARG   2           HG2      ARG   2   2.258   2.313  -5.648
   15    HG3  ARG   2           HG3      ARG   2   2.763   0.734  -6.254
   16    HD2  ARG   2           HD2      ARG   2   2.858   2.633  -7.913
   17    HD3  ARG   2           HD3      ARG   2   1.960   1.205  -8.427
   18    HE   ARG   2           HE       ARG   2   0.078   2.490  -8.535
   19   HH11  ARG   2          HH11      ARG   2   2.431   4.117  -6.551
   20   HH12  ARG   2          HH12      ARG   2   1.487   5.561  -6.388
   21   HH21  ARG   2          HH21      ARG   2  -1.174   4.385  -8.328
   22   HH22  ARG   2          HH22      ARG   2  -0.564   5.712  -7.398
   23    H    ILE   3           H        ILE   3   1.089  -2.497  -3.845
   24    HA   ILE   3           HA       ILE   3   2.989  -3.572  -5.649
   25    HB   ILE   3           HB       ILE   3   1.165  -5.060  -3.756
   26   HG12  ILE   3          HG12      ILE   3   3.783  -4.936  -2.743
   27   HG13  ILE   3          HG13      ILE   3   3.413  -3.305  -3.291
   28   HG21  ILE   3          HG21      ILE   3   3.790  -5.897  -4.979
   29   HG22  ILE   3          HG22      ILE   3   2.792  -6.847  -3.878
   30   HG23  ILE   3          HG23      ILE   3   2.201  -6.463  -5.495
   31   HD11  ILE   3          HD11      ILE   3   1.786  -3.005  -1.732
   32   HD12  ILE   3          HD12      ILE   3   1.389  -4.721  -1.651
   33   HD13  ILE   3          HD13      ILE   3   2.841  -4.113  -0.856
   34    H    MET   4           H        MET   4  -0.450  -4.397  -5.155
   35    HA   MET   4           HA       MET   4  -0.772  -6.192  -7.210
   36    HB2  MET   4           HB2      MET   4  -2.827  -4.113  -6.454
   37    HB3  MET   4           HB3      MET   4  -3.125  -5.705  -7.140
   38    HG2  MET   4           HG2      MET   4  -1.655  -6.132  -4.791
   39    HG3  MET   4           HG3      MET   4  -2.877  -4.923  -4.400
   40    HE1  MET   4           HE1      MET   4  -3.031  -9.206  -5.405
   41    HE2  MET   4           HE2      MET   4  -3.706  -8.466  -6.857
   42    HE3  MET   4           HE3      MET   4  -2.113  -7.979  -6.277
   43    H    ARG   5           H        ARG   5  -0.789  -2.670  -7.368
   44    HA   ARG   5           HA       ARG   5  -1.683  -2.372 -10.002
   45    HB2  ARG   5           HB2      ARG   5   0.256  -0.635  -8.464
   46    HB3  ARG   5           HB3      ARG   5  -0.595  -0.163  -9.928
   47    HG2  ARG   5           HG2      ARG   5  -1.800  -0.769  -7.239
   48    HG3  ARG   5           HG3      ARG   5  -1.712   0.797  -8.048
   49    HD2  ARG   5           HD2      ARG   5  -2.964  -0.842  -9.894
   50    HD3  ARG   5           HD3      ARG   5  -3.643  -1.350  -8.349
   51    HE   ARG   5           HE       ARG   5  -4.049   1.173  -9.684
   52   HH11  ARG   5          HH11      ARG   5  -4.169  -0.545  -6.658
   53   HH12  ARG   5          HH12      ARG   5  -5.307   0.543  -5.936
   54   HH21  ARG   5          HH21      ARG   5  -5.548   2.612  -8.744
   55   HH22  ARG   5          HH22      ARG   5  -6.092   2.338  -7.124
   56    H    ILE   6           H        ILE   6   1.540  -2.960  -8.699
   57    HA   ILE   6           HA       ILE   6   2.926  -2.627 -11.156
   58    HB   ILE   6           HB       ILE   6   3.722  -4.148  -8.671
   59   HG12  ILE   6          HG12      ILE   6   4.434  -1.373  -9.648
   60   HG13  ILE   6          HG13      ILE   6   3.375  -1.751  -8.294
   61   HG21  ILE   6          HG21      ILE   6   4.964  -4.968 -10.579
   62   HG22  ILE   6          HG22      ILE   6   5.371  -3.320 -11.056
   63   HG23  ILE   6          HG23      ILE   6   6.016  -3.989  -9.557
   64   HD11  ILE   6          HD11      ILE   6   5.546  -1.084  -7.496
   65   HD12  ILE   6          HD12      ILE   6   5.272  -2.788  -7.131
   66   HD13  ILE   6          HD13      ILE   6   6.320  -2.332  -8.474
   67    H    LEU   7           H        LEU   7   1.799  -5.504  -9.394
   68    HA   LEU   7           HA       LEU   7   2.748  -7.456 -11.122
   69    HB2  LEU   7           HB2      LEU   7   0.092  -7.620  -9.725
   70    HB3  LEU   7           HB3      LEU   7   1.187  -8.938 -10.137
   71    HG   LEU   7           HG       LEU   7   1.440  -6.917  -7.928
   72   HD11  LEU   7          HD11      LEU   7   1.847  -9.856  -7.674
   73   HD12  LEU   7          HD12      LEU   7   1.233  -8.694  -6.498
   74   HD13  LEU   7          HD13      LEU   7   0.206  -9.229  -7.827
   75   HD21  LEU   7          HD21      LEU   7   3.663  -7.861  -7.471
   76   HD22  LEU   7          HD22      LEU   7   3.572  -8.776  -8.976
   77   HD23  LEU   7          HD23      LEU   7   3.605  -7.014  -9.016
   78    H    ARG   8           H        ARG   8  -0.117  -5.440 -11.356
   79    HA   ARG   8           HA       ARG   8  -1.554  -6.756 -13.310
   80    HB2  ARG   8           HB2      ARG   8  -1.169  -3.778 -12.958
   81    HB3  ARG   8           HB3      ARG   8  -2.417  -4.516 -13.953
   82    HG2  ARG   8           HG2      ARG   8  -2.438  -5.582 -11.268
   83    HG3  ARG   8           HG3      ARG   8  -2.610  -3.826 -11.278
   84    HD2  ARG   8           HD2      ARG   8  -4.670  -3.921 -12.152
   85    HD3  ARG   8           HD3      ARG   8  -4.214  -5.167 -13.315
   86    HE   ARG   8           HE       ARG   8  -4.361  -6.337 -10.779
   87   HH11  ARG   8          HH11      ARG   8  -6.450  -4.887 -13.156
   88   HH12  ARG   8          HH12      ARG   8  -7.836  -5.821 -12.699
   89   HH21  ARG   8          HH21      ARG   8  -6.179  -7.573 -10.167
   90   HH22  ARG   8          HH22      ARG   8  -7.681  -7.348 -10.998
   91    H    VAL   9           H        VAL   9   1.425  -4.991 -13.590
   92    HA   VAL   9           HA       VAL   9   1.451  -4.416 -16.319
   93    HB   VAL   9           HB       VAL   9   3.791  -5.178 -14.565
   94   HG11  VAL   9          HG11      VAL   9   4.586  -5.344 -16.755
   95   HG12  VAL   9          HG12      VAL   9   3.615  -3.979 -17.310
   96   HG13  VAL   9          HG13      VAL   9   5.014  -3.703 -16.271
   97   HG21  VAL   9          HG21      VAL   9   2.318  -3.219 -13.866
   98   HG22  VAL   9          HG22      VAL   9   4.042  -2.897 -14.053
   99   HG23  VAL   9          HG23      VAL   9   2.910  -2.403 -15.313
  100    H    LEU  10           H        LEU  10   2.298  -7.378 -14.596
  101    HA   LEU  10           HA       LEU  10   3.500  -8.828 -16.611
  102    HB2  LEU  10           HB2      LEU  10   1.593  -9.809 -14.493
  103    HB3  LEU  10           HB3      LEU  10   2.642 -10.842 -15.462
  104    HG   LEU  10           HG       LEU  10   3.732  -8.685 -13.672
  105   HD11  LEU  10          HD11      LEU  10   3.765 -10.062 -11.848
  106   HD12  LEU  10          HD12      LEU  10   2.234 -10.547 -12.577
  107   HD13  LEU  10          HD13      LEU  10   3.677 -11.533 -12.815
  108   HD21  LEU  10          HD21      LEU  10   5.158 -11.205 -14.275
  109   HD22  LEU  10          HD22      LEU  10   4.971 -10.059 -15.603
  110   HD23  LEU  10          HD23      LEU  10   5.774  -9.560 -14.114
  111    H    LYS  11           H        LYS  11   0.096  -8.150 -16.102
  112    HA   LYS  11           HA       LYS  11  -0.660  -9.854 -18.349
  113    HB2  LYS  11           HB2      LYS  11  -2.294  -8.257 -16.373
  114    HB3  LYS  11           HB3      LYS  11  -2.994  -9.154 -17.714
  115    HG2  LYS  11           HG2      LYS  11  -3.120 -10.895 -16.349
  116    HG3  LYS  11           HG3      LYS  11  -1.359 -10.996 -16.437
  117    HD2  LYS  11           HD2      LYS  11  -1.065 -10.035 -14.389
  118    HD3  LYS  11           HD3      LYS  11  -2.528  -9.056 -14.518
  119    HE2  LYS  11           HE2      LYS  11  -2.964 -10.658 -12.840
  120    HE3  LYS  11           HE3      LYS  11  -3.831 -11.210 -14.273
  121    HZ1  LYS  11           HZ1      LYS  11  -2.320 -12.816 -12.857
  122    HZ2  LYS  11           HZ2      LYS  11  -2.463 -12.982 -14.535
  123    HZ3  LYS  11           HZ3      LYS  11  -1.113 -12.205 -13.873
  124    H    LEU  12           H        LEU  12   0.932  -7.873 -19.242
  125    HA   LEU  12           HA       LEU  12  -0.890  -6.351 -20.915
  126    HB2  LEU  12           HB2      LEU  12   1.128  -5.092 -19.079
  127    HB3  LEU  12           HB3      LEU  12   0.514  -4.269 -20.512
  128    HG   LEU  12           HG       LEU  12  -1.156  -5.190 -18.172
  129   HD11  LEU  12          HD11      LEU  12   0.300  -3.343 -17.562
  130   HD12  LEU  12          HD12      LEU  12  -0.238  -2.432 -18.973
  131   HD13  LEU  12          HD13      LEU  12  -1.375  -2.803 -17.677
  132   HD21  LEU  12          HD21      LEU  12  -2.704  -5.169 -19.837
  133   HD22  LEU  12          HD22      LEU  12  -2.708  -3.449 -19.446
  134   HD23  LEU  12          HD23      LEU  12  -1.786  -4.037 -20.831
  Start of MODEL    3
    1    H1   PHE   1           H        PHE   1   1.255  -1.690   1.192
    2    HA   PHE   1           HA       PHE   1   2.348  -0.058  -0.772
    3    HB2  PHE   1           HB2      PHE   1   3.440  -2.038   0.371
    4    HB3  PHE   1           HB3      PHE   1   2.556  -3.070  -0.748
    5    HD1  PHE   1           HD1      PHE   1   2.889  -2.580  -3.268
    6    HD2  PHE   1           HD2      PHE   1   5.525  -1.235  -0.208
    7    HE1  PHE   1           HE1      PHE   1   4.679  -2.309  -4.934
    8    HE2  PHE   1           HE2      PHE   1   7.318  -0.960  -1.869
    9    HZ   PHE   1           HZ       PHE   1   6.897  -1.496  -4.236
   10    H    ARG   2           H        ARG   2   2.089   0.167  -2.939
   11    HA   ARG   2           HA       ARG   2  -0.382  -0.782  -4.074
   12    HB2  ARG   2           HB2      ARG   2   0.384   0.517  -6.086
   13    HB3  ARG   2           HB3      ARG   2   0.244   1.458  -4.607
   14    HG2  ARG   2           HG2      ARG   2   2.528   1.695  -4.381
   15    HG3  ARG   2           HG3      ARG   2   2.876   0.280  -5.377
   16    HD2  ARG   2           HD2      ARG   2   3.448   2.109  -6.724
   17    HD3  ARG   2           HD3      ARG   2   1.863   1.602  -7.307
   18    HE   ARG   2           HE       ARG   2   1.248   3.504  -5.501
   19   HH11  ARG   2          HH11      ARG   2   3.466   3.421  -8.183
   20   HH12  ARG   2          HH12      ARG   2   3.333   5.117  -8.513
   21   HH21  ARG   2          HH21      ARG   2   1.065   5.737  -5.926
   22   HH22  ARG   2          HH22      ARG   2   1.968   6.433  -7.228
   23    H    ILE   3           H        ILE   3   0.394  -3.085  -3.800
   24    HA   ILE   3           HA       ILE   3   2.423  -4.129  -5.474
   25    HB   ILE   3           HB       ILE   3   0.030  -5.602  -4.369
   26   HG12  ILE   3          HG12      ILE   3   2.192  -6.208  -2.771
   27   HG13  ILE   3          HG13      ILE   3   2.415  -4.490  -3.081
   28   HG21  ILE   3          HG21      ILE   3   0.947  -7.108  -5.822
   29   HG22  ILE   3          HG22      ILE   3   2.568  -6.426  -5.680
   30   HG23  ILE   3          HG23      ILE   3   1.921  -7.441  -4.391
   31   HD11  ILE   3          HD11      ILE   3  -0.259  -4.681  -2.470
   32   HD12  ILE   3          HD12      ILE   3   0.499  -5.842  -1.381
   33   HD13  ILE   3          HD13      ILE   3   1.028  -4.160  -1.383
   34    H    MET   4           H        MET   4  -1.125  -4.109  -5.798
   35    HA   MET   4           HA       MET   4  -1.373  -5.430  -8.202
   36    HB2  MET   4           HB2      MET   4  -3.004  -3.029  -7.363
   37    HB3  MET   4           HB3      MET   4  -3.494  -4.293  -8.482
   38    HG2  MET   4           HG2      MET   4  -2.739  -5.496  -6.015
   39    HG3  MET   4           HG3      MET   4  -3.865  -4.180  -5.692
   40    HE1  MET   4           HE1      MET   4  -4.439  -6.400  -9.242
   41    HE2  MET   4           HE2      MET   4  -3.055  -6.776  -8.215
   42    HE3  MET   4           HE3      MET   4  -4.443  -7.864  -8.258
   43    H    ARG   5           H        ARG   5  -0.459  -2.088  -7.611
   44    HA   ARG   5           HA       ARG   5  -0.676  -1.099 -10.217
   45    HB2  ARG   5           HB2      ARG   5   0.915  -0.343  -7.807
   46    HB3  ARG   5           HB3      ARG   5   1.328   0.397  -9.347
   47    HG2  ARG   5           HG2      ARG   5  -1.414   0.656  -9.231
   48    HG3  ARG   5           HG3      ARG   5  -0.896   0.926  -7.565
   49    HD2  ARG   5           HD2      ARG   5   0.944   2.377  -8.944
   50    HD3  ARG   5           HD3      ARG   5  -0.480   2.563  -9.966
   51    HE   ARG   5           HE       ARG   5  -0.963   3.038  -7.167
   52   HH11  ARG   5          HH11      ARG   5   0.013   4.439 -10.201
   53   HH12  ARG   5          HH12      ARG   5  -0.429   6.051  -9.747
   54   HH21  ARG   5          HH21      ARG   5  -1.549   5.156  -6.558
   55   HH22  ARG   5          HH22      ARG   5  -1.316   6.459  -7.675
   56    H    ILE   6           H        ILE   6   1.875  -2.937  -8.646
   57    HA   ILE   6           HA       ILE   6   3.748  -2.639 -10.795
   58    HB   ILE   6           HB       ILE   6   3.727  -4.672  -8.561
   59   HG12  ILE   6          HG12      ILE   6   5.070  -1.970  -8.780
   60   HG13  ILE   6          HG13      ILE   6   3.772  -2.405  -7.675
   61   HG21  ILE   6          HG21      ILE   6   5.124  -5.290 -10.495
   62   HG22  ILE   6          HG22      ILE   6   5.994  -3.765 -10.329
   63   HG23  ILE   6          HG23      ILE   6   6.077  -4.972  -9.046
   64   HD11  ILE   6          HD11      ILE   6   6.564  -3.523  -7.660
   65   HD12  ILE   6          HD12      ILE   6   5.899  -2.347  -6.528
   66   HD13  ILE   6          HD13      ILE   6   5.264  -3.992  -6.564
   67    H    LEU   7           H        LEU   7   1.697  -5.314  -9.646
   68    HA   LEU   7           HA       LEU   7   2.369  -7.236 -11.504
   69    HB2  LEU   7           HB2      LEU   7  -0.055  -6.634  -9.908
   70    HB3  LEU   7           HB3      LEU   7  -0.229  -7.782 -11.234
   71    HG   LEU   7           HG       LEU   7   1.669  -8.048  -8.902
   72   HD11  LEU   7          HD11      LEU   7  -0.723  -8.350  -8.341
   73   HD12  LEU   7          HD12      LEU   7  -0.817  -9.620  -9.562
   74   HD13  LEU   7          HD13      LEU   7   0.228  -9.824  -8.156
   75   HD21  LEU   7          HD21      LEU   7   2.650  -9.074 -10.822
   76   HD22  LEU   7          HD22      LEU   7   1.969 -10.355  -9.818
   77   HD23  LEU   7          HD23      LEU   7   1.120  -9.828 -11.271
   78    H    ARG   8           H        ARG   8   0.300  -4.437 -11.879
   79    HA   ARG   8           HA       ARG   8  -1.097  -5.049 -14.172
   80    HB2  ARG   8           HB2      ARG   8   0.124  -2.420 -13.322
   81    HB3  ARG   8           HB3      ARG   8  -1.001  -2.582 -14.664
   82    HG2  ARG   8           HG2      ARG   8  -2.099  -3.840 -12.342
   83    HG3  ARG   8           HG3      ARG   8  -1.592  -2.196 -11.949
   84    HD2  ARG   8           HD2      ARG   8  -3.910  -2.257 -12.724
   85    HD3  ARG   8           HD3      ARG   8  -2.886  -1.336 -13.824
   86    HE   ARG   8           HE       ARG   8  -2.878  -3.801 -14.919
   87   HH11  ARG   8          HH11      ARG   8  -5.429  -1.691 -13.843
   88   HH12  ARG   8          HH12      ARG   8  -6.579  -2.276 -15.000
   89   HH21  ARG   8          HH21      ARG   8  -4.382  -4.579 -16.447
   90   HH22  ARG   8          HH22      ARG   8  -5.982  -3.920 -16.480
   91    H    VAL   9           H        VAL   9   2.288  -4.357 -13.804
   92    HA   VAL   9           HA       VAL   9   2.970  -3.634 -16.410
   93    HB   VAL   9           HB       VAL   9   4.603  -5.242 -14.440
   94   HG11  VAL   9          HG11      VAL   9   5.220  -4.057 -17.095
   95   HG12  VAL   9          HG12      VAL   9   6.458  -3.985 -15.841
   96   HG13  VAL   9          HG13      VAL   9   5.812  -5.544 -16.354
   97   HG21  VAL   9          HG21      VAL   9   4.878  -2.307 -14.979
   98   HG22  VAL   9          HG22      VAL   9   3.705  -2.908 -13.807
   99   HG23  VAL   9          HG23      VAL   9   5.423  -3.239 -13.584
  100    H    LEU  10           H        LEU  10   2.589  -6.833 -14.951
  101    HA   LEU  10           HA       LEU  10   3.571  -8.416 -17.000
  102    HB2  LEU  10           HB2      LEU  10   1.411  -8.831 -14.967
  103    HB3  LEU  10           HB3      LEU  10   1.766 -10.071 -16.168
  104    HG   LEU  10           HG       LEU  10   3.812  -8.977 -14.244
  105   HD11  LEU  10          HD11      LEU  10   1.914 -10.095 -13.086
  106   HD12  LEU  10          HD12      LEU  10   2.268 -11.553 -14.013
  107   HD13  LEU  10          HD13      LEU  10   3.463 -10.913 -12.885
  108   HD21  LEU  10          HD21      LEU  10   4.617 -11.456 -14.941
  109   HD22  LEU  10          HD22      LEU  10   3.809 -10.954 -16.426
  110   HD23  LEU  10          HD23      LEU  10   5.128  -9.985 -15.769
  111    H    LYS  11           H        LYS  11   0.508  -6.746 -16.735
  112    HA   LYS  11           HA       LYS  11  -1.255  -6.504 -18.160
  113    HB2  LYS  11           HB2      LYS  11   0.987  -6.873 -20.153
  114    HB3  LYS  11           HB3      LYS  11  -0.631  -6.334 -20.582
  115    HG2  LYS  11           HG2      LYS  11   1.225  -4.907 -18.688
  116    HG3  LYS  11           HG3      LYS  11   0.964  -4.480 -20.381
  117    HD2  LYS  11           HD2      LYS  11  -1.154  -4.512 -18.230
  118    HD3  LYS  11           HD3      LYS  11  -0.355  -3.070 -18.862
  119    HE2  LYS  11           HE2      LYS  11  -1.198  -3.839 -21.154
  120    HE3  LYS  11           HE3      LYS  11  -2.253  -4.933 -20.260
  121    HZ1  LYS  11           HZ1      LYS  11  -3.280  -2.768 -20.857
  122    HZ2  LYS  11           HZ2      LYS  11  -3.300  -3.099 -19.198
  123    HZ3  LYS  11           HZ3      LYS  11  -2.179  -1.998 -19.828
  124    H    LEU  12           H        LEU  12  -1.009  -9.090 -17.136
  125    HA   LEU  12           HA       LEU  12  -1.662 -11.251 -17.450
  126    HB2  LEU  12           HB2      LEU  12  -3.286 -10.125 -19.719
  127    HB3  LEU  12           HB3      LEU  12  -3.627 -11.569 -18.768
  128    HG   LEU  12           HG       LEU  12  -3.491  -9.156 -17.141
  129   HD11  LEU  12          HD11      LEU  12  -5.821  -9.303 -19.021
  130   HD12  LEU  12          HD12      LEU  12  -5.334  -7.986 -17.953
  131   HD13  LEU  12          HD13      LEU  12  -4.391  -8.343 -19.400
  132   HD21  LEU  12          HD21      LEU  12  -5.867 -10.933 -17.507
  133   HD22  LEU  12          HD22      LEU  12  -4.429 -11.535 -16.683
  134   HD23  LEU  12          HD23      LEU  12  -5.283 -10.127 -16.051
  Start of MODEL    4
    1    H1   PHE   1           H        PHE   1   1.379   1.225   0.154
    2    HA   PHE   1           HA       PHE   1   2.782   1.202  -1.675
    3    HB2  PHE   1           HB2      PHE   1   4.126  -0.525  -0.302
    4    HB3  PHE   1           HB3      PHE   1   3.297  -1.735  -1.276
    5    HD1  PHE   1           HD1      PHE   1   3.482  -1.499  -3.829
    6    HD2  PHE   1           HD2      PHE   1   6.066   0.470  -1.079
    7    HE1  PHE   1           HE1      PHE   1   5.154  -1.211  -5.611
    8    HE2  PHE   1           HE2      PHE   1   7.741   0.763  -2.857
    9    HZ   PHE   1           HZ       PHE   1   7.286  -0.077  -5.127
   10    H    ARG   2           H        ARG   2   2.332   0.881  -3.826
   11    HA   ARG   2           HA       ARG   2  -0.177  -0.469  -4.388
   12    HB2  ARG   2           HB2      ARG   2   0.113   0.564  -6.660
   13    HB3  ARG   2           HB3      ARG   2   0.041   1.714  -5.332
   14    HG2  ARG   2           HG2      ARG   2   2.407   2.050  -5.406
   15    HG3  ARG   2           HG3      ARG   2   2.601   0.746  -6.579
   16    HD2  ARG   2           HD2      ARG   2   0.860   3.111  -7.173
   17    HD3  ARG   2           HD3      ARG   2   2.604   3.189  -7.415
   18    HE   ARG   2           HE       ARG   2   0.691   1.739  -9.008
   19   HH11  ARG   2          HH11      ARG   2   4.031   2.036  -8.073
   20   HH12  ARG   2          HH12      ARG   2   4.634   1.257  -9.499
   21   HH21  ARG   2          HH21      ARG   2   1.472   0.713 -10.889
   22   HH22  ARG   2          HH22      ARG   2   3.178   0.506 -11.100
   23    H    ILE   3           H        ILE   3   1.163  -2.524  -3.824
   24    HA   ILE   3           HA       ILE   3   2.994  -3.561  -5.701
   25    HB   ILE   3           HB       ILE   3   1.166  -5.115  -3.867
   26   HG12  ILE   3          HG12      ILE   3   3.729  -5.068  -2.784
   27   HG13  ILE   3          HG13      ILE   3   3.474  -3.419  -3.345
   28   HG21  ILE   3          HG21      ILE   3   2.229  -6.427  -5.675
   29   HG22  ILE   3          HG22      ILE   3   3.807  -5.904  -5.086
   30   HG23  ILE   3          HG23      ILE   3   2.772  -6.902  -4.065
   31   HD11  ILE   3          HD11      ILE   3   1.696  -4.951  -1.464
   32   HD12  ILE   3          HD12      ILE   3   2.808  -3.651  -1.036
   33   HD13  ILE   3          HD13      ILE   3   1.402  -3.313  -2.046
   34    H    MET   4           H        MET   4  -0.478  -4.237  -5.245
   35    HA   MET   4           HA       MET   4  -0.865  -5.998  -7.328
   36    HB2  MET   4           HB2      MET   4  -2.831  -3.842  -6.554
   37    HB3  MET   4           HB3      MET   4  -3.192  -5.412  -7.258
   38    HG2  MET   4           HG2      MET   4  -1.756  -5.924  -4.906
   39    HG3  MET   4           HG3      MET   4  -2.927  -4.669  -4.509
   40    HE1  MET   4           HE1      MET   4  -3.909  -8.193  -6.971
   41    HE2  MET   4           HE2      MET   4  -2.295  -7.720  -6.440
   42    HE3  MET   4           HE3      MET   4  -3.208  -8.920  -5.525
   43    H    ARG   5           H        ARG   5  -0.677  -2.483  -7.422
   44    HA   ARG   5           HA       ARG   5  -1.567  -2.066 -10.038
   45    HB2  ARG   5           HB2      ARG   5   0.354  -0.547  -8.285
   46    HB3  ARG   5           HB3      ARG   5  -0.056   0.002  -9.905
   47    HG2  ARG   5           HG2      ARG   5  -2.161  -0.562  -7.845
   48    HG3  ARG   5           HG3      ARG   5  -1.351   1.001  -7.957
   49    HD2  ARG   5           HD2      ARG   5  -2.350  -0.034 -10.510
   50    HD3  ARG   5           HD3      ARG   5  -3.607   0.299  -9.320
   51    HE   ARG   5           HE       ARG   5  -1.971   2.513  -9.321
   52   HH11  ARG   5          HH11      ARG   5  -3.926   0.812 -11.646
   53   HH12  ARG   5          HH12      ARG   5  -4.272   2.227 -12.585
   54   HH21  ARG   5          HH21      ARG   5  -2.420   4.383 -10.548
   55   HH22  ARG   5          HH22      ARG   5  -3.414   4.257 -11.960
   56    H    ILE   6           H        ILE   6   1.526  -3.129  -8.801
   57    HA   ILE   6           HA       ILE   6   2.856  -2.854 -11.353
   58    HB   ILE   6           HB       ILE   6   3.863  -4.346  -8.935
   59   HG12  ILE   6          HG12      ILE   6   4.164  -1.414  -9.618
   60   HG13  ILE   6          HG13      ILE   6   3.248  -2.073  -8.268
   61   HG21  ILE   6          HG21      ILE   6   5.996  -4.156  -9.879
   62   HG22  ILE   6          HG22      ILE   6   4.953  -4.583 -11.236
   63   HG23  ILE   6          HG23      ILE   6   5.478  -2.913 -11.019
   64   HD11  ILE   6          HD11      ILE   6   5.422  -1.172  -7.591
   65   HD12  ILE   6          HD12      ILE   6   5.277  -2.896  -7.254
   66   HD13  ILE   6          HD13      ILE   6   6.220  -2.346  -8.638
   67    H    LEU   7           H        LEU   7   1.415  -5.417  -9.422
   68    HA   LEU   7           HA       LEU   7   2.356  -7.633 -10.834
   69    HB2  LEU   7           HB2      LEU   7  -0.377  -7.387  -9.599
   70    HB3  LEU   7           HB3      LEU   7   0.554  -8.861  -9.861
   71    HG   LEU   7           HG       LEU   7   0.930  -6.739  -7.776
   72   HD11  LEU   7          HD11      LEU   7   0.051  -9.509  -7.894
   73   HD12  LEU   7          HD12      LEU   7   1.313  -9.238  -6.692
   74   HD13  LEU   7          HD13      LEU   7  -0.177  -8.298  -6.632
   75   HD21  LEU   7          HD21      LEU   7   3.059  -7.840  -7.180
   76   HD22  LEU   7          HD22      LEU   7   2.959  -8.786  -8.665
   77   HD23  LEU   7          HD23      LEU   7   3.122  -7.032  -8.746
   78    H    ARG   8           H        ARG   8  -0.574  -5.690 -11.339
   79    HA   ARG   8           HA       ARG   8  -1.708  -7.131 -13.416
   80    HB2  ARG   8           HB2      ARG   8  -2.997  -5.217 -13.899
   81    HB3  ARG   8           HB3      ARG   8  -2.657  -5.116 -12.177
   82    HG2  ARG   8           HG2      ARG   8  -0.583  -3.705 -13.131
   83    HG3  ARG   8           HG3      ARG   8  -1.778  -3.382 -14.388
   84    HD2  ARG   8           HD2      ARG   8  -2.464  -3.105 -11.483
   85    HD3  ARG   8           HD3      ARG   8  -1.665  -1.800 -12.358
   86    HE   ARG   8           HE       ARG   8  -4.407  -2.647 -12.619
   87   HH11  ARG   8          HH11      ARG   8  -1.752  -0.963 -14.113
   88   HH12  ARG   8          HH12      ARG   8  -2.767  -0.009 -15.144
   89   HH21  ARG   8          HH21      ARG   8  -5.754  -1.397 -13.970
   90   HH22  ARG   8          HH22      ARG   8  -5.043  -0.256 -15.061
   91    H    VAL   9           H        VAL   9   1.068  -5.048 -13.419
   92    HA   VAL   9           HA       VAL   9   1.229  -4.415 -16.140
   93    HB   VAL   9           HB       VAL   9   3.567  -4.924 -14.298
   94   HG11  VAL   9          HG11      VAL   9   3.234  -3.662 -16.965
   95   HG12  VAL   9          HG12      VAL   9   4.387  -2.934 -15.847
   96   HG13  VAL   9          HG13      VAL   9   4.567  -4.622 -16.324
   97   HG21  VAL   9          HG21      VAL   9   1.907  -2.435 -14.681
   98   HG22  VAL   9          HG22      VAL   9   2.057  -3.394 -13.209
   99   HG23  VAL   9          HG23      VAL   9   3.445  -2.493 -13.820
  100    H    LEU  10           H        LEU  10   2.175  -7.298 -14.372
  101    HA   LEU  10           HA       LEU  10   3.804  -8.562 -16.204
  102    HB2  LEU  10           HB2      LEU  10   1.698  -9.847 -14.472
  103    HB3  LEU  10           HB3      LEU  10   3.073 -10.667 -15.208
  104    HG   LEU  10           HG       LEU  10   3.160  -8.599 -13.015
  105   HD11  LEU  10          HD11      LEU  10   4.284 -11.339 -12.788
  106   HD12  LEU  10          HD12      LEU  10   3.590 -10.292 -11.551
  107   HD13  LEU  10          HD13      LEU  10   2.535 -11.143 -12.680
  108   HD21  LEU  10          HD21      LEU  10   5.103  -8.124 -14.151
  109   HD22  LEU  10          HD22      LEU  10   5.648  -9.398 -13.060
  110   HD23  LEU  10          HD23      LEU  10   5.289  -9.774 -14.745
  111    H    LYS  11           H        LYS  11   0.322  -8.194 -16.228
  112    HA   LYS  11           HA       LYS  11   0.120  -9.858 -18.632
  113    HB2  LYS  11           HB2      LYS  11  -1.850  -8.860 -16.611
  114    HB3  LYS  11           HB3      LYS  11  -2.413  -9.297 -18.219
  115    HG2  LYS  11           HG2      LYS  11  -2.691 -11.172 -16.756
  116    HG3  LYS  11           HG3      LYS  11  -1.412 -11.539 -17.915
  117    HD2  LYS  11           HD2      LYS  11   0.283 -11.122 -16.278
  118    HD3  LYS  11           HD3      LYS  11  -0.904 -10.491 -15.134
  119    HE2  LYS  11           HE2      LYS  11  -0.404 -12.692 -14.426
  120    HE3  LYS  11           HE3      LYS  11  -1.990 -12.768 -15.192
  121    HZ1  LYS  11           HZ1      LYS  11   0.376 -14.156 -15.873
  122    HZ2  LYS  11           HZ2      LYS  11  -1.186 -14.350 -16.494
  123    HZ3  LYS  11           HZ3      LYS  11  -0.132 -13.225 -17.191
  124    H    LEU  12           H        LEU  12   1.437  -7.891 -19.519
  125    HA   LEU  12           HA       LEU  12   0.256  -5.426 -20.023
  126    HB2  LEU  12           HB2      LEU  12   2.307  -7.048 -21.482
  127    HB3  LEU  12           HB3      LEU  12   1.748  -5.509 -22.134
  128    HG   LEU  12           HG       LEU  12   2.495  -5.126 -19.408
  129   HD11  LEU  12          HD11      LEU  12   3.887  -7.254 -20.267
  130   HD12  LEU  12          HD12      LEU  12   4.917  -5.957 -20.872
  131   HD13  LEU  12          HD13      LEU  12   4.536  -6.052 -19.152
  132   HD21  LEU  12          HD21      LEU  12   4.245  -4.153 -21.567
  133   HD22  LEU  12          HD22      LEU  12   2.542  -3.718 -21.709
  134   HD23  LEU  12          HD23      LEU  12   3.449  -3.273 -20.263
  Start of MODEL    5
    1    H1   PHE   1           H        PHE   1   0.277  -1.297   0.719
    2    HA   PHE   1           HA       PHE   1   1.891  -0.274  -1.188
    3    HB2  PHE   1           HB2      PHE   1   2.245  -2.372   0.218
    4    HB3  PHE   1           HB3      PHE   1   1.378  -3.243  -1.042
    5    HD1  PHE   1           HD1      PHE   1   2.291  -2.827  -3.482
    6    HD2  PHE   1           HD2      PHE   1   4.533  -2.256   0.091
    7    HE1  PHE   1           HE1      PHE   1   4.381  -3.062  -4.759
    8    HE2  PHE   1           HE2      PHE   1   6.626  -2.489  -1.180
    9    HZ   PHE   1           HZ       PHE   1   6.552  -2.892  -3.609
   10    H    ARG   2           H        ARG   2   1.973  -0.081  -3.356
   11    HA   ARG   2           HA       ARG   2  -0.428  -0.625  -4.854
   12    HB2  ARG   2           HB2      ARG   2   0.797   0.464  -6.723
   13    HB3  ARG   2           HB3      ARG   2   0.727   1.451  -5.270
   14    HG2  ARG   2           HG2      ARG   2   3.074   0.116  -4.915
   15    HG3  ARG   2           HG3      ARG   2   3.029   0.319  -6.667
   16    HD2  ARG   2           HD2      ARG   2   4.163   2.193  -5.592
   17    HD3  ARG   2           HD3      ARG   2   2.680   2.717  -6.388
   18    HE   ARG   2           HE       ARG   2   2.034   2.166  -3.747
   19   HH11  ARG   2          HH11      ARG   2   4.065   4.377  -5.510
   20   HH12  ARG   2          HH12      ARG   2   3.946   5.635  -4.326
   21   HH21  ARG   2          HH21      ARG   2   1.871   3.816  -2.180
   22   HH22  ARG   2          HH22      ARG   2   2.699   5.315  -2.431
   23    H    ILE   3           H        ILE   3  -0.101  -3.018  -4.394
   24    HA   ILE   3           HA       ILE   3   1.930  -4.464  -5.733
   25    HB   ILE   3           HB       ILE   3  -0.805  -5.454  -4.920
   26   HG12  ILE   3          HG12      ILE   3   1.128  -6.332  -3.092
   27   HG13  ILE   3          HG13      ILE   3   1.486  -4.629  -3.351
   28   HG21  ILE   3          HG21      ILE   3   1.149  -6.708  -6.420
   29   HG22  ILE   3          HG22      ILE   3   1.405  -7.327  -4.789
   30   HG23  ILE   3          HG23      ILE   3  -0.173  -7.493  -5.558
   31   HD11  ILE   3          HD11      ILE   3  -0.152  -4.081  -1.981
   32   HD12  ILE   3          HD12      ILE   3  -1.315  -4.893  -3.029
   33   HD13  ILE   3          HD13      ILE   3  -0.520  -5.788  -1.734
   34    H    MET   4           H        MET   4  -1.514  -3.992  -6.537
   35    HA   MET   4           HA       MET   4  -1.600  -5.333  -8.938
   36    HB2  MET   4           HB2      MET   4  -3.015  -2.721  -8.395
   37    HB3  MET   4           HB3      MET   4  -3.518  -3.990  -9.504
   38    HG2  MET   4           HG2      MET   4  -3.224  -5.123  -6.915
   39    HG3  MET   4           HG3      MET   4  -4.192  -3.656  -6.783
   40    HE1  MET   4           HE1      MET   4  -3.565  -6.427  -9.300
   41    HE2  MET   4           HE2      MET   4  -4.305  -7.491  -8.103
   42    HE3  MET   4           HE3      MET   4  -5.147  -7.141  -9.613
   43    H    ARG   5           H        ARG   5  -0.355  -2.116  -8.267
   44    HA   ARG   5           HA       ARG   5  -0.104  -1.174 -10.884
   45    HB2  ARG   5           HB2      ARG   5   1.345  -0.592  -8.324
   46    HB3  ARG   5           HB3      ARG   5   1.899   0.127  -9.830
   47    HG2  ARG   5           HG2      ARG   5  -0.695   0.749  -9.991
   48    HG3  ARG   5           HG3      ARG   5  -0.520   0.686  -8.236
   49    HD2  ARG   5           HD2      ARG   5  -0.112   2.935  -8.965
   50    HD3  ARG   5           HD3      ARG   5   1.414   2.231  -8.429
   51    HE   ARG   5           HE       ARG   5   1.440   1.758 -11.083
   52   HH11  ARG   5          HH11      ARG   5   0.864   4.626  -9.194
   53   HH12  ARG   5          HH12      ARG   5   1.489   5.703 -10.399
   54   HH21  ARG   5          HH21      ARG   5   2.266   3.166 -12.677
   55   HH22  ARG   5          HH22      ARG   5   2.286   4.872 -12.380
   56    H    ILE   6           H        ILE   6   2.021  -3.223  -8.957
   57    HA   ILE   6           HA       ILE   6   4.151  -3.243 -10.861
   58    HB   ILE   6           HB       ILE   6   3.609  -5.240  -8.662
   59   HG12  ILE   6          HG12      ILE   6   5.196  -2.664  -8.624
   60   HG13  ILE   6          HG13      ILE   6   3.711  -2.989  -7.737
   61   HG21  ILE   6          HG21      ILE   6   5.545  -6.216  -9.182
   62   HG22  ILE   6          HG22      ILE   6   5.458  -5.331 -10.705
   63   HG23  ILE   6          HG23      ILE   6   6.372  -4.667  -9.352
   64   HD11  ILE   6          HD11      ILE   6   4.858  -4.682  -6.422
   65   HD12  ILE   6          HD12      ILE   6   6.344  -4.384  -7.324
   66   HD13  ILE   6          HD13      ILE   6   5.666  -3.120  -6.299
   67    H    LEU   7           H        LEU   7   1.503  -5.461 -10.069
   68    HA   LEU   7           HA       LEU   7   2.182  -7.573 -11.742
   69    HB2  LEU   7           HB2      LEU   7  -0.641  -6.656 -11.277
   70    HB3  LEU   7           HB3      LEU   7  -0.062  -8.296 -11.562
   71    HG   LEU   7           HG       LEU   7   0.145  -6.649  -9.058
   72   HD11  LEU   7          HD11      LEU   7  -1.332  -8.097  -8.173
   73   HD12  LEU   7          HD12      LEU   7  -1.768  -8.368  -9.860
   74   HD13  LEU   7          HD13      LEU   7  -0.667  -9.478  -9.045
   75   HD21  LEU   7          HD21      LEU   7   1.522  -8.456  -8.118
   76   HD22  LEU   7          HD22      LEU   7   1.622  -9.196  -9.716
   77   HD23  LEU   7          HD23      LEU   7   2.341  -7.611  -9.432
   78    H    ARG   8           H        ARG   8   0.572  -4.535 -12.466
   79    HA   ARG   8           HA       ARG   8  -0.458  -5.054 -14.975
   80    HB2  ARG   8           HB2      ARG   8   0.893  -2.499 -14.086
   81    HB3  ARG   8           HB3      ARG   8  -0.250  -2.660 -15.413
   82    HG2  ARG   8           HG2      ARG   8  -1.628  -3.711 -13.278
   83    HG3  ARG   8           HG3      ARG   8  -0.727  -2.373 -12.562
   84    HD2  ARG   8           HD2      ARG   8  -2.915  -1.638 -13.349
   85    HD3  ARG   8           HD3      ARG   8  -1.620  -0.859 -14.256
   86    HE   ARG   8           HE       ARG   8  -2.240  -3.010 -15.778
   87   HH11  ARG   8          HH11      ARG   8  -4.121  -0.433 -14.384
   88   HH12  ARG   8          HH12      ARG   8  -5.310  -0.443 -15.645
   89   HH21  ARG   8          HH21      ARG   8  -3.799  -3.032 -17.444
   90   HH22  ARG   8          HH22      ARG   8  -5.126  -1.922 -17.384
   91    H    VAL   9           H        VAL   9   2.852  -4.664 -13.997
   92    HA   VAL   9           HA       VAL   9   4.039  -4.048 -16.455
   93    HB   VAL   9           HB       VAL   9   5.187  -5.704 -14.204
   94   HG11  VAL   9          HG11      VAL   9   7.253  -4.354 -15.417
   95   HG12  VAL   9          HG12      VAL   9   6.861  -6.059 -15.641
   96   HG13  VAL   9          HG13      VAL   9   6.252  -4.858 -16.779
   97   HG21  VAL   9          HG21      VAL   9   4.409  -3.023 -14.219
   98   HG22  VAL   9          HG22      VAL   9   5.440  -3.828 -13.036
   99   HG23  VAL   9          HG23      VAL   9   6.161  -3.000 -14.416
  100    H    LEU  10           H        LEU  10   3.019  -7.120 -15.080
  101    HA   LEU  10           HA       LEU  10   3.934  -8.500 -17.508
  102    HB2  LEU  10           HB2      LEU  10   3.038  -9.678 -14.883
  103    HB3  LEU  10           HB3      LEU  10   3.712 -10.562 -16.250
  104    HG   LEU  10           HG       LEU  10   5.410  -8.429 -15.107
  105   HD11  LEU  10          HD11      LEU  10   5.978  -9.489 -13.141
  106   HD12  LEU  10          HD12      LEU  10   4.232  -9.733 -13.190
  107   HD13  LEU  10          HD13      LEU  10   5.318 -11.040 -13.660
  108   HD21  LEU  10          HD21      LEU  10   6.811  -9.516 -16.445
  109   HD22  LEU  10          HD22      LEU  10   6.750 -10.870 -15.317
  110   HD23  LEU  10          HD23      LEU  10   5.650 -10.820 -16.694
  111    H    LYS  11           H        LYS  11   1.571  -6.835 -17.450
  112    HA   LYS  11           HA       LYS  11  -0.559  -6.856 -18.250
  113    HB2  LYS  11           HB2      LYS  11   0.688  -9.199 -19.338
  114    HB3  LYS  11           HB3      LYS  11  -0.992  -9.562 -18.967
  115    HG2  LYS  11           HG2      LYS  11  -0.687  -8.775 -21.267
  116    HG3  LYS  11           HG3      LYS  11  -1.733  -7.708 -20.328
  117    HD2  LYS  11           HD2      LYS  11  -0.239  -5.995 -20.360
  118    HD3  LYS  11           HD3      LYS  11   1.160  -7.072 -20.345
  119    HE2  LYS  11           HE2      LYS  11   0.147  -7.656 -22.767
  120    HE3  LYS  11           HE3      LYS  11  -0.381  -5.981 -22.617
  121    HZ1  LYS  11           HZ1      LYS  11   2.178  -6.958 -23.241
  122    HZ2  LYS  11           HZ2      LYS  11   1.651  -5.352 -23.172
  123    HZ3  LYS  11           HZ3      LYS  11   2.274  -6.098 -21.787
  124    H    LEU  12           H        LEU  12  -1.968  -6.562 -16.642
  125    HA   LEU  12           HA       LEU  12  -2.311  -8.084 -14.370
  126    HB2  LEU  12           HB2      LEU  12  -4.192  -6.301 -15.881
  127    HB3  LEU  12           HB3      LEU  12  -4.684  -7.104 -14.391
  128    HG   LEU  12           HG       LEU  12  -2.432  -5.114 -14.678
  129   HD11  LEU  12          HD11      LEU  12  -3.851  -3.641 -13.371
  130   HD12  LEU  12          HD12      LEU  12  -4.667  -4.121 -14.859
  131   HD13  LEU  12          HD13      LEU  12  -5.116  -4.869 -13.326
  132   HD21  LEU  12          HD21      LEU  12  -1.730  -6.472 -12.943
  133   HD22  LEU  12          HD22      LEU  12  -2.665  -5.239 -12.095
  134   HD23  LEU  12          HD23      LEU  12  -3.375  -6.822 -12.412
  Start of MODEL    6
    1    H1   PHE   1           H        PHE   1  -0.403  -0.248  -0.054
    2    HA   PHE   1           HA       PHE   1   1.743  -0.142  -1.156
    3    HB2  PHE   1           HB2      PHE   1   2.492  -2.208   0.100
    4    HB3  PHE   1           HB3      PHE   1   1.664  -3.161  -1.127
    5    HD1  PHE   1           HD1      PHE   1   2.396  -2.895  -3.540
    6    HD2  PHE   1           HD2      PHE   1   4.662  -1.434  -0.247
    7    HE1  PHE   1           HE1      PHE   1   4.400  -2.804  -4.965
    8    HE2  PHE   1           HE2      PHE   1   6.670  -1.339  -1.666
    9    HZ   PHE   1           HZ       PHE   1   6.540  -2.024  -4.028
   10    H    ARG   2           H        ARG   2   1.879  -0.010  -3.366
   11    HA   ARG   2           HA       ARG   2  -0.531  -0.654  -4.818
   12    HB2  ARG   2           HB2      ARG   2   0.596   0.517  -6.700
   13    HB3  ARG   2           HB3      ARG   2   0.500   1.486  -5.235
   14    HG2  ARG   2           HG2      ARG   2   2.926   0.251  -4.961
   15    HG3  ARG   2           HG3      ARG   2   2.828   0.526  -6.701
   16    HD2  ARG   2           HD2      ARG   2   2.491   2.597  -4.534
   17    HD3  ARG   2           HD3      ARG   2   3.884   2.416  -5.600
   18    HE   ARG   2           HE       ARG   2   1.349   3.632  -6.239
   19   HH11  ARG   2          HH11      ARG   2   4.237   2.147  -7.495
   20   HH12  ARG   2          HH12      ARG   2   4.105   2.901  -9.049
   21   HH21  ARG   2          HH21      ARG   2   1.165   4.630  -8.281
   22   HH22  ARG   2          HH22      ARG   2   2.358   4.314  -9.495
   23    H    ILE   3           H        ILE   3  -0.042  -3.032  -4.371
   24    HA   ILE   3           HA       ILE   3   2.028  -4.371  -5.730
   25    HB   ILE   3           HB       ILE   3  -0.683  -5.487  -5.009
   26   HG12  ILE   3          HG12      ILE   3   1.056  -6.349  -3.079
   27   HG13  ILE   3          HG13      ILE   3   1.642  -4.716  -3.376
   28   HG21  ILE   3          HG21      ILE   3   0.357  -7.634  -5.061
   29   HG22  ILE   3          HG22      ILE   3   0.736  -6.820  -6.578
   30   HG23  ILE   3          HG23      ILE   3   1.950  -6.918  -5.303
   31   HD11  ILE   3          HD11      ILE   3   0.118  -4.188  -1.819
   32   HD12  ILE   3          HD12      ILE   3  -0.998  -4.246  -3.184
   33   HD13  ILE   3          HD13      ILE   3  -0.843  -5.637  -2.112
   34    H    MET   4           H        MET   4  -1.371  -3.817  -6.624
   35    HA   MET   4           HA       MET   4  -1.458  -5.182  -9.015
   36    HB2  MET   4           HB2      MET   4  -2.764  -2.504  -8.522
   37    HB3  MET   4           HB3      MET   4  -3.293  -3.749  -9.645
   38    HG2  MET   4           HG2      MET   4  -3.133  -4.901  -7.057
   39    HG3  MET   4           HG3      MET   4  -4.020  -3.383  -6.937
   40    HE1  MET   4           HE1      MET   4  -3.462  -6.511  -8.890
   41    HE2  MET   4           HE2      MET   4  -5.064  -7.121  -9.305
   42    HE3  MET   4           HE3      MET   4  -4.308  -5.878 -10.302
   43    H    ARG   5           H        ARG   5  -0.156  -1.973  -8.360
   44    HA   ARG   5           HA       ARG   5   0.228  -1.079 -10.964
   45    HB2  ARG   5           HB2      ARG   5   1.281  -0.425  -8.315
   46    HB3  ARG   5           HB3      ARG   5   2.428  -0.109  -9.609
   47    HG2  ARG   5           HG2      ARG   5  -0.288   0.845 -10.142
   48    HG3  ARG   5           HG3      ARG   5   0.511   1.617  -8.771
   49    HD2  ARG   5           HD2      ARG   5   0.881   2.791 -10.925
   50    HD3  ARG   5           HD3      ARG   5   2.371   2.260 -10.146
   51    HE   ARG   5           HE       ARG   5   1.675   0.238 -11.877
   52   HH11  ARG   5          HH11      ARG   5   2.407   3.633 -12.124
   53   HH12  ARG   5          HH12      ARG   5   3.055   3.509 -13.726
   54   HH21  ARG   5          HH21      ARG   5   2.526   0.063 -13.986
   55   HH22  ARG   5          HH22      ARG   5   3.122   1.479 -14.784
   56    H    ILE   6           H        ILE   6   2.071  -3.363  -9.061
   57    HA   ILE   6           HA       ILE   6   4.254  -3.463 -10.956
   58    HB   ILE   6           HB       ILE   6   3.715  -5.357  -8.671
   59   HG12  ILE   6          HG12      ILE   6   5.283  -2.770  -8.697
   60   HG13  ILE   6          HG13      ILE   6   3.789  -3.072  -7.817
   61   HG21  ILE   6          HG21      ILE   6   5.425  -5.800 -10.605
   62   HG22  ILE   6          HG22      ILE   6   6.417  -4.648  -9.711
   63   HG23  ILE   6          HG23      ILE   6   5.863  -6.128  -8.928
   64   HD11  ILE   6          HD11      ILE   6   4.910  -4.690  -6.416
   65   HD12  ILE   6          HD12      ILE   6   6.402  -4.484  -7.335
   66   HD13  ILE   6          HD13      ILE   6   5.765  -3.148  -6.376
   67    H    LEU   7           H        LEU   7   1.552  -5.539  -9.981
   68    HA   LEU   7           HA       LEU   7   2.152  -7.729 -11.624
   69    HB2  LEU   7           HB2      LEU   7  -0.630  -6.833 -10.924
   70    HB3  LEU   7           HB3      LEU   7  -0.059  -8.472 -11.228
   71    HG   LEU   7           HG       LEU   7   0.352  -6.771  -8.786
   72   HD11  LEU   7          HD11      LEU   7  -1.622  -7.974  -8.575
   73   HD12  LEU   7          HD12      LEU   7  -0.971  -9.383  -9.414
   74   HD13  LEU   7          HD13      LEU   7  -0.436  -9.007  -7.776
   75   HD21  LEU   7          HD21      LEU   7   1.833  -8.545  -7.941
   76   HD22  LEU   7          HD22      LEU   7   1.804  -9.309  -9.530
   77   HD23  LEU   7          HD23      LEU   7   2.520  -7.709  -9.333
   78    H    ARG   8           H        ARG   8   0.204  -4.833 -12.229
   79    HA   ARG   8           HA       ARG   8  -0.824  -5.516 -14.723
   80    HB2  ARG   8           HB2      ARG   8  -1.139  -3.136 -15.088
   81    HB3  ARG   8           HB3      ARG   8  -1.531  -3.542 -13.423
   82    HG2  ARG   8           HG2      ARG   8   0.321  -2.459 -12.580
   83    HG3  ARG   8           HG3      ARG   8   1.205  -2.567 -14.103
   84    HD2  ARG   8           HD2      ARG   8   0.621  -0.342 -14.080
   85    HD3  ARG   8           HD3      ARG   8  -0.718  -1.040 -14.992
   86    HE   ARG   8           HE       ARG   8  -1.273  -0.939 -12.198
   87   HH11  ARG   8          HH11      ARG   8  -1.177   0.978 -15.103
   88   HH12  ARG   8          HH12      ARG   8  -2.358   2.117 -14.546
   89   HH21  ARG   8          HH21      ARG   8  -2.829   0.553 -11.454
   90   HH22  ARG   8          HH22      ARG   8  -3.297   1.874 -12.470
   91    H    VAL   9           H        VAL   9   2.383  -4.629 -13.802
   92    HA   VAL   9           HA       VAL   9   3.393  -3.648 -16.216
   93    HB   VAL   9           HB       VAL   9   4.878  -5.323 -14.187
   94   HG11  VAL   9          HG11      VAL   9   6.663  -5.046 -15.475
   95   HG12  VAL   9          HG12      VAL   9   5.676  -4.204 -16.669
   96   HG13  VAL   9          HG13      VAL   9   6.468  -3.296 -15.381
   97   HG21  VAL   9          HG21      VAL   9   5.506  -3.204 -13.149
   98   HG22  VAL   9          HG22      VAL   9   4.502  -2.332 -14.308
   99   HG23  VAL   9          HG23      VAL   9   3.755  -3.420 -13.138
  100    H    LEU  10           H        LEU  10   2.908  -6.947 -15.088
  101    HA   LEU  10           HA       LEU  10   4.014  -7.991 -17.592
  102    HB2  LEU  10           HB2      LEU  10   3.120  -9.469 -15.122
  103    HB3  LEU  10           HB3      LEU  10   3.934 -10.172 -16.518
  104    HG   LEU  10           HG       LEU  10   5.398  -7.991 -15.195
  105   HD11  LEU  10          HD11      LEU  10   5.080 -10.647 -13.807
  106   HD12  LEU  10          HD12      LEU  10   6.111  -9.305 -13.309
  107   HD13  LEU  10          HD13      LEU  10   4.356  -9.133 -13.265
  108   HD21  LEU  10          HD21      LEU  10   7.118  -9.993 -15.360
  109   HD22  LEU  10          HD22      LEU  10   5.931 -10.598 -16.516
  110   HD23  LEU  10          HD23      LEU  10   6.685  -9.024 -16.768
  111    H    LYS  11           H        LYS  11   1.493  -6.592 -17.565
  112    HA   LYS  11           HA       LYS  11  -0.661  -6.777 -18.290
  113    HB2  LYS  11           HB2      LYS  11   0.323  -9.293 -19.638
  114    HB3  LYS  11           HB3      LYS  11  -1.019  -8.274 -20.138
  115    HG2  LYS  11           HG2      LYS  11   1.813  -7.281 -20.030
  116    HG3  LYS  11           HG3      LYS  11   1.121  -8.053 -21.458
  117    HD2  LYS  11           HD2      LYS  11   0.736  -5.824 -21.908
  118    HD3  LYS  11           HD3      LYS  11  -0.781  -6.291 -21.135
  119    HE2  LYS  11           HE2      LYS  11   1.052  -5.510 -19.107
  120    HE3  LYS  11           HE3      LYS  11   1.060  -4.271 -20.361
  121    HZ1  LYS  11           HZ1      LYS  11  -1.585  -5.141 -19.737
  122    HZ2  LYS  11           HZ2      LYS  11  -0.789  -4.546 -18.367
  123    HZ3  LYS  11           HZ3      LYS  11  -0.942  -3.576 -19.745
  124    H    LEU  12           H        LEU  12  -1.490  -7.201 -16.174
  125    HA   LEU  12           HA       LEU  12  -2.625  -9.895 -15.951
  126    HB2  LEU  12           HB2      LEU  12  -1.284  -8.365 -13.728
  127    HB3  LEU  12           HB3      LEU  12  -2.254  -9.818 -13.495
  128    HG   LEU  12           HG       LEU  12   0.311  -9.682 -15.079
  129   HD11  LEU  12          HD11      LEU  12   1.110  -9.478 -12.951
  130   HD12  LEU  12          HD12      LEU  12  -0.284 -10.282 -12.229
  131   HD13  LEU  12          HD13      LEU  12   0.957 -11.232 -13.047
  132   HD21  LEU  12          HD21      LEU  12  -0.572 -11.543 -15.981
  133   HD22  LEU  12          HD22      LEU  12  -0.096 -12.284 -14.453
  134   HD23  LEU  12          HD23      LEU  12  -1.756 -11.735 -14.688
  Start of MODEL    7
    1    H1   PHE   1           H        PHE   1   1.441   0.855   0.574
    2    HA   PHE   1           HA       PHE   1   2.305   1.077  -1.623
    3    HB2  PHE   1           HB2      PHE   1   3.464  -0.668  -0.127
    4    HB3  PHE   1           HB3      PHE   1   2.661  -1.872  -1.129
    5    HD1  PHE   1           HD1      PHE   1   3.029  -1.665  -3.684
    6    HD2  PHE   1           HD2      PHE   1   5.521   0.165  -0.758
    7    HE1  PHE   1           HE1      PHE   1   4.844  -1.500  -5.338
    8    HE2  PHE   1           HE2      PHE   1   7.339   0.334  -2.407
    9    HZ   PHE   1           HZ       PHE   1   7.002  -0.498  -4.701
   10    H    ARG   2           H        ARG   2   1.992   0.810  -3.790
   11    HA   ARG   2           HA       ARG   2  -0.481  -0.486  -4.576
   12    HB2  ARG   2           HB2      ARG   2   0.003   0.550  -6.799
   13    HB3  ARG   2           HB3      ARG   2  -0.099   1.704  -5.476
   14    HG2  ARG   2           HG2      ARG   2   2.132   2.201  -5.549
   15    HG3  ARG   2           HG3      ARG   2   2.570   0.631  -6.227
   16    HD2  ARG   2           HD2      ARG   2   2.882   2.179  -7.973
   17    HD3  ARG   2           HD3      ARG   2   1.358   1.367  -8.331
   18    HE   ARG   2           HE       ARG   2   0.890   3.723  -6.840
   19   HH11  ARG   2          HH11      ARG   2   1.788   2.632 -10.022
   20   HH12  ARG   2          HH12      ARG   2   1.135   4.022 -10.825
   21   HH21  ARG   2          HH21      ARG   2   0.026   5.557  -7.885
   22   HH22  ARG   2          HH22      ARG   2   0.134   5.685  -9.608
   23    H    ILE   3           H        ILE   3   0.674  -2.598  -3.940
   24    HA   ILE   3           HA       ILE   3   2.667  -3.683  -5.619
   25    HB   ILE   3           HB       ILE   3   0.590  -5.198  -4.034
   26   HG12  ILE   3          HG12      ILE   3   2.994  -5.238  -2.640
   27   HG13  ILE   3          HG13      ILE   3   2.867  -3.577  -3.208
   28   HG21  ILE   3          HG21      ILE   3   3.329  -6.025  -4.987
   29   HG22  ILE   3          HG22      ILE   3   2.212  -7.008  -4.040
   30   HG23  ILE   3          HG23      ILE   3   1.797  -6.545  -5.690
   31   HD11  ILE   3          HD11      ILE   3   1.894  -3.708  -1.042
   32   HD12  ILE   3          HD12      ILE   3   0.591  -3.487  -2.210
   33   HD13  ILE   3          HD13      ILE   3   0.892  -5.080  -1.514
   34    H    MET   4           H        MET   4  -0.864  -4.163  -5.572
   35    HA   MET   4           HA       MET   4  -1.132  -5.915  -7.670
   36    HB2  MET   4           HB2      MET   4  -2.988  -3.587  -7.168
   37    HB3  MET   4           HB3      MET   4  -3.392  -5.127  -7.915
   38    HG2  MET   4           HG2      MET   4  -2.316  -5.727  -5.392
   39    HG3  MET   4           HG3      MET   4  -3.433  -4.384  -5.158
   40    HE1  MET   4           HE1      MET   4  -3.929  -8.618  -6.245
   41    HE2  MET   4           HE2      MET   4  -4.326  -7.809  -7.761
   42    HE3  MET   4           HE3      MET   4  -2.777  -7.501  -6.976
   43    H    ARG   5           H        ARG   5  -0.599  -2.442  -7.784
   44    HA   ARG   5           HA       ARG   5  -1.123  -2.019 -10.503
   45    HB2  ARG   5           HB2      ARG   5   0.374  -0.597  -8.377
   46    HB3  ARG   5           HB3      ARG   5   0.783  -0.176 -10.034
   47    HG2  ARG   5           HG2      ARG   5  -0.866   1.356  -9.390
   48    HG3  ARG   5           HG3      ARG   5  -1.700   0.178 -10.405
   49    HD2  ARG   5           HD2      ARG   5  -2.127  -1.004  -8.088
   50    HD3  ARG   5           HD3      ARG   5  -1.878   0.627  -7.467
   51    HE   ARG   5           HE       ARG   5  -3.718   0.652  -9.618
   52   HH11  ARG   5          HH11      ARG   5  -3.431  -0.218  -6.259
   53   HH12  ARG   5          HH12      ARG   5  -5.114   0.016  -5.920
   54   HH21  ARG   5          HH21      ARG   5  -5.936   0.963  -9.184
   55   HH22  ARG   5          HH22      ARG   5  -6.538   0.687  -7.584
   56    H    ILE   6           H        ILE   6   1.817  -3.033  -8.829
   57    HA   ILE   6           HA       ILE   6   3.496  -2.955 -11.119
   58    HB   ILE   6           HB       ILE   6   3.842  -4.588  -8.602
   59   HG12  ILE   6          HG12      ILE   6   4.819  -1.810  -9.300
   60   HG13  ILE   6          HG13      ILE   6   3.599  -2.208  -8.096
   61   HG21  ILE   6          HG21      ILE   6   6.188  -4.653  -9.178
   62   HG22  ILE   6          HG22      ILE   6   5.232  -5.311 -10.506
   63   HG23  ILE   6          HG23      ILE   6   5.891  -3.679 -10.618
   64   HD11  ILE   6          HD11      ILE   6   6.485  -3.049  -7.987
   65   HD12  ILE   6          HD12      ILE   6   5.772  -1.703  -7.097
   66   HD13  ILE   6          HD13      ILE   6   5.255  -3.356  -6.760
   67    H    LEU   7           H        LEU   7   1.823  -5.615  -9.450
   68    HA   LEU   7           HA       LEU   7   2.670  -7.730 -11.010
   69    HB2  LEU   7           HB2      LEU   7  -0.143  -7.452  -9.988
   70    HB3  LEU   7           HB3      LEU   7   0.780  -8.933 -10.237
   71    HG   LEU   7           HG       LEU   7   1.039  -6.913  -8.030
   72   HD11  LEU   7          HD11      LEU   7  -0.082  -8.433  -6.875
   73   HD12  LEU   7          HD12      LEU   7  -0.207  -9.439  -8.318
   74   HD13  LEU   7          HD13      LEU   7   1.161  -9.634  -7.223
   75   HD21  LEU   7          HD21      LEU   7   3.292  -7.335  -8.815
   76   HD22  LEU   7          HD22      LEU   7   3.026  -8.154  -7.276
   77   HD23  LEU   7          HD23      LEU   7   3.005  -9.074  -8.780
   78    H    ARG   8           H        ARG   8   0.123  -5.383 -11.646
   79    HA   ARG   8           HA       ARG   8  -1.152  -6.564 -13.794
   80    HB2  ARG   8           HB2      ARG   8  -0.521  -3.638 -13.367
   81    HB3  ARG   8           HB3      ARG   8  -1.683  -4.252 -14.536
   82    HG2  ARG   8           HG2      ARG   8  -2.148  -5.249 -11.842
   83    HG3  ARG   8           HG3      ARG   8  -2.233  -3.490 -11.961
   84    HD2  ARG   8           HD2      ARG   8  -4.125  -3.540 -13.174
   85    HD3  ARG   8           HD3      ARG   8  -3.595  -4.929 -14.122
   86    HE   ARG   8           HE       ARG   8  -4.177  -5.850 -11.566
   87   HH11  ARG   8          HH11      ARG   8  -5.848  -4.387 -14.247
   88   HH12  ARG   8          HH12      ARG   8  -7.363  -5.146 -13.886
   89   HH21  ARG   8          HH21      ARG   8  -6.165  -6.856 -11.080
   90   HH22  ARG   8          HH22      ARG   8  -7.542  -6.550 -12.084
   91    H    VAL   9           H        VAL   9   1.996  -5.099 -13.636
   92    HA   VAL   9           HA       VAL   9   2.467  -4.557 -16.330
   93    HB   VAL   9           HB       VAL   9   4.443  -5.521 -14.257
   94   HG11  VAL   9          HG11      VAL   9   4.726  -4.801 -17.072
   95   HG12  VAL   9          HG12      VAL   9   5.803  -3.904 -16.001
   96   HG13  VAL   9          HG13      VAL   9   5.832  -5.667 -16.006
   97   HG21  VAL   9          HG21      VAL   9   2.963  -3.144 -14.380
   98   HG22  VAL   9          HG22      VAL   9   4.348  -3.495 -13.347
   99   HG23  VAL   9          HG23      VAL   9   4.591  -2.727 -14.916
  100    H    LEU  10           H        LEU  10   2.592  -7.578 -14.550
  101    HA   LEU  10           HA       LEU  10   3.908  -9.104 -16.542
  102    HB2  LEU  10           HB2      LEU  10   1.981 -10.074 -14.438
  103    HB3  LEU  10           HB3      LEU  10   3.177 -11.040 -15.301
  104    HG   LEU  10           HG       LEU  10   4.304  -8.784 -13.805
  105   HD11  LEU  10          HD11      LEU  10   2.274  -9.857 -12.466
  106   HD12  LEU  10          HD12      LEU  10   3.505 -11.062 -12.088
  107   HD13  LEU  10          HD13      LEU  10   3.774  -9.369 -11.677
  108   HD21  LEU  10          HD21      LEU  10   4.881 -11.712 -14.159
  109   HD22  LEU  10          HD22      LEU  10   5.808 -10.328 -14.739
  110   HD23  LEU  10          HD23      LEU  10   5.774 -10.707 -13.017
  111    H    LYS  11           H        LYS  11   0.573  -8.217 -15.992
  112    HA   LYS  11           HA       LYS  11  -0.369 -10.009 -18.088
  113    HB2  LYS  11           HB2      LYS  11  -1.605  -8.455 -15.908
  114    HB3  LYS  11           HB3      LYS  11  -2.547  -8.531 -17.391
  115    HG2  LYS  11           HG2      LYS  11  -3.214 -10.305 -15.910
  116    HG3  LYS  11           HG3      LYS  11  -2.409 -10.987 -17.325
  117    HD2  LYS  11           HD2      LYS  11  -0.941 -12.014 -16.010
  118    HD3  LYS  11           HD3      LYS  11  -0.441 -10.462 -15.334
  119    HE2  LYS  11           HE2      LYS  11  -1.143 -11.816 -13.514
  120    HE3  LYS  11           HE3      LYS  11  -2.411 -10.621 -13.782
  121    HZ1  LYS  11           HZ1      LYS  11  -3.659 -12.301 -15.016
  122    HZ2  LYS  11           HZ2      LYS  11  -2.454 -13.446 -14.700
  123    HZ3  LYS  11           HZ3      LYS  11  -3.360 -12.797 -13.426
  124    H    LEU  12           H        LEU  12  -1.250  -6.629 -17.440
  125    HA   LEU  12           HA       LEU  12  -1.645  -4.885 -18.852
  126    HB2  LEU  12           HB2      LEU  12   0.779  -5.987 -20.265
  127    HB3  LEU  12           HB3      LEU  12   0.153  -4.345 -20.391
  128    HG   LEU  12           HG       LEU  12   1.299  -5.574 -17.884
  129   HD11  LEU  12          HD11      LEU  12   3.115  -3.837 -18.364
  130   HD12  LEU  12          HD12      LEU  12   3.125  -5.321 -19.317
  131   HD13  LEU  12          HD13      LEU  12   2.491  -3.830 -20.013
  132   HD21  LEU  12          HD21      LEU  12   1.380  -2.889 -17.556
  133   HD22  LEU  12          HD22      LEU  12  -0.108  -3.063 -18.487
  134   HD23  LEU  12          HD23      LEU  12   0.082  -3.923 -16.959
  Start of MODEL    8
    1    H1   PHE   1           H        PHE   1   0.968  -0.369   0.228
    2    HA   PHE   1           HA       PHE   1   2.512   1.260  -1.632
    3    HB2  PHE   1           HB2      PHE   1   4.063  -0.299  -0.313
    4    HB3  PHE   1           HB3      PHE   1   3.287  -1.617  -1.184
    5    HD1  PHE   1           HD1      PHE   1   3.269  -1.410  -3.775
    6    HD2  PHE   1           HD2      PHE   1   5.916   0.729  -1.219
    7    HE1  PHE   1           HE1      PHE   1   4.813  -1.073  -5.661
    8    HE2  PHE   1           HE2      PHE   1   7.463   1.070  -3.101
    9    HZ   PHE   1           HZ       PHE   1   6.913   0.169  -5.325
   10    H    ARG   2           H        ARG   2   1.936   0.980  -3.733
   11    HA   ARG   2           HA       ARG   2  -0.418  -0.628  -4.234
   12    HB2  ARG   2           HB2      ARG   2  -0.322   0.445  -6.496
   13    HB3  ARG   2           HB3      ARG   2  -0.428   1.581  -5.158
   14    HG2  ARG   2           HG2      ARG   2   1.716   2.344  -5.454
   15    HG3  ARG   2           HG3      ARG   2   2.251   0.856  -6.238
   16    HD2  ARG   2           HD2      ARG   2   2.148   2.543  -7.914
   17    HD3  ARG   2           HD3      ARG   2   0.783   1.458  -8.176
   18    HE   ARG   2           HE       ARG   2  -0.608   3.226  -7.819
   19   HH11  ARG   2          HH11      ARG   2   2.481   3.942  -6.382
   20   HH12  ARG   2          HH12      ARG   2   2.046   5.560  -5.939
   21   HH21  ARG   2          HH21      ARG   2  -1.192   5.354  -7.242
   22   HH22  ARG   2          HH22      ARG   2  -0.044   6.361  -6.428
   23    H    ILE   3           H        ILE   3   1.007  -2.596  -3.777
   24    HA   ILE   3           HA       ILE   3   2.922  -3.442  -5.672
   25    HB   ILE   3           HB       ILE   3   1.209  -5.190  -3.904
   26   HG12  ILE   3          HG12      ILE   3   3.727  -4.963  -2.758
   27   HG13  ILE   3          HG13      ILE   3   3.368  -3.325  -3.294
   28   HG21  ILE   3          HG21      ILE   3   2.974  -5.893  -5.911
   29   HG22  ILE   3          HG22      ILE   3   3.928  -6.049  -4.435
   30   HG23  ILE   3          HG23      ILE   3   2.410  -6.932  -4.602
   31   HD11  ILE   3          HD11      ILE   3   2.606  -3.482  -1.077
   32   HD12  ILE   3          HD12      ILE   3   1.164  -3.556  -2.090
   33   HD13  ILE   3          HD13      ILE   3   1.817  -5.031  -1.376
   34    H    MET   4           H        MET   4  -0.511  -4.301  -5.265
   35    HA   MET   4           HA       MET   4  -0.814  -6.074  -7.338
   36    HB2  MET   4           HB2      MET   4  -2.834  -3.943  -6.631
   37    HB3  MET   4           HB3      MET   4  -3.156  -5.515  -7.350
   38    HG2  MET   4           HG2      MET   4  -1.773  -5.998  -4.951
   39    HG3  MET   4           HG3      MET   4  -2.999  -4.783  -4.597
   40    HE1  MET   4           HE1      MET   4  -3.127  -9.042  -5.669
   41    HE2  MET   4           HE2      MET   4  -3.783  -8.296  -7.126
   42    HE3  MET   4           HE3      MET   4  -2.203  -7.803  -6.519
   43    H    ARG   5           H        ARG   5  -0.636  -2.567  -7.482
   44    HA   ARG   5           HA       ARG   5  -1.485  -2.194 -10.122
   45    HB2  ARG   5           HB2      ARG   5   0.017  -0.644  -8.122
   46    HB3  ARG   5           HB3      ARG   5   0.375  -0.221  -9.791
   47    HG2  ARG   5           HG2      ARG   5  -1.364   1.209  -9.008
   48    HG3  ARG   5           HG3      ARG   5  -2.062   0.082 -10.174
   49    HD2  ARG   5           HD2      ARG   5  -3.609  -0.327  -8.616
   50    HD3  ARG   5           HD3      ARG   5  -2.353  -1.246  -7.787
   51    HE   ARG   5           HE       ARG   5  -2.035   1.369  -6.979
   52   HH11  ARG   5          HH11      ARG   5  -4.544  -1.041  -6.843
   53   HH12  ARG   5          HH12      ARG   5  -5.228  -0.434  -5.371
   54   HH21  ARG   5          HH21      ARG   5  -2.926   2.178  -5.042
   55   HH22  ARG   5          HH22      ARG   5  -4.307   1.398  -4.348
   56    H    ILE   6           H        ILE   6   1.724  -2.881  -8.799
   57    HA   ILE   6           HA       ILE   6   3.105  -2.688 -11.268
   58    HB   ILE   6           HB       ILE   6   3.913  -4.278  -8.832
   59   HG12  ILE   6          HG12      ILE   6   4.458  -1.389  -9.548
   60   HG13  ILE   6          HG13      ILE   6   3.444  -1.957  -8.226
   61   HG21  ILE   6          HG21      ILE   6   5.855  -4.693  -9.846
   62   HG22  ILE   6          HG22      ILE   6   5.059  -4.196 -11.339
   63   HG23  ILE   6          HG23      ILE   6   6.005  -3.030 -10.415
   64   HD11  ILE   6          HD11      ILE   6   5.646  -1.200  -7.471
   65   HD12  ILE   6          HD12      ILE   6   5.368  -2.905  -7.118
   66   HD13  ILE   6          HD13      ILE   6   6.403  -2.441  -8.469
   67    H    LEU   7           H        LEU   7   1.786  -5.436  -9.451
   68    HA   LEU   7           HA       LEU   7   2.682  -7.500 -11.080
   69    HB2  LEU   7           HB2      LEU   7  -0.017  -7.469  -9.761
   70    HB3  LEU   7           HB3      LEU   7   1.015  -8.858 -10.094
   71    HG   LEU   7           HG       LEU   7   1.314  -6.778  -7.947
   72   HD11  LEU   7          HD11      LEU   7   0.012  -9.121  -7.896
   73   HD12  LEU   7          HD12      LEU   7   1.631  -9.672  -7.466
   74   HD13  LEU   7          HD13      LEU   7   0.832  -8.436  -6.493
   75   HD21  LEU   7          HD21      LEU   7   3.501  -7.027  -8.963
   76   HD22  LEU   7          HD22      LEU   7   3.468  -7.823  -7.390
   77   HD23  LEU   7          HD23      LEU   7   3.371  -8.783  -8.866
   78    H    ARG   8           H        ARG   8  -0.070  -5.349 -11.458
   79    HA   ARG   8           HA       ARG   8  -1.506  -6.656 -13.424
   80    HB2  ARG   8           HB2      ARG   8  -1.009  -3.691 -13.112
   81    HB3  ARG   8           HB3      ARG   8  -2.245  -4.391 -14.150
   82    HG2  ARG   8           HG2      ARG   8  -2.592  -5.522 -11.593
   83    HG3  ARG   8           HG3      ARG   8  -2.364  -3.787 -11.368
   84    HD2  ARG   8           HD2      ARG   8  -4.358  -5.091 -13.218
   85    HD3  ARG   8           HD3      ARG   8  -4.724  -4.342 -11.664
   86    HE   ARG   8           HE       ARG   8  -3.414  -2.581 -13.521
   87   HH11  ARG   8          HH11      ARG   8  -6.470  -3.861 -12.454
   88   HH12  ARG   8          HH12      ARG   8  -7.388  -2.515 -13.043
   89   HH21  ARG   8          HH21      ARG   8  -4.612  -0.803 -14.301
   90   HH22  ARG   8          HH22      ARG   8  -6.330  -0.776 -14.094
   91    H    VAL   9           H        VAL   9   1.549  -5.018 -13.651
   92    HA   VAL   9           HA       VAL   9   1.680  -4.512 -16.390
   93    HB   VAL   9           HB       VAL   9   3.931  -5.319 -14.543
   94   HG11  VAL   9          HG11      VAL   9   5.030  -3.692 -16.422
   95   HG12  VAL   9          HG12      VAL   9   5.078  -5.454 -16.470
   96   HG13  VAL   9          HG13      VAL   9   3.846  -4.580 -17.381
   97   HG21  VAL   9          HG21      VAL   9   2.627  -3.323 -13.836
   98   HG22  VAL   9          HG22      VAL   9   4.310  -2.967 -14.225
   99   HG23  VAL   9          HG23      VAL   9   3.035  -2.562 -15.374
  100    H    LEU  10           H        LEU  10   2.384  -7.458 -14.573
  101    HA   LEU  10           HA       LEU  10   3.572  -9.000 -16.527
  102    HB2  LEU  10           HB2      LEU  10   1.556  -9.936 -14.490
  103    HB3  LEU  10           HB3      LEU  10   2.732 -10.945 -15.332
  104    HG   LEU  10           HG       LEU  10   3.306  -8.825 -13.264
  105   HD11  LEU  10          HD11      LEU  10   4.156 -11.662 -13.044
  106   HD12  LEU  10          HD12      LEU  10   3.717 -10.507 -11.785
  107   HD13  LEU  10          HD13      LEU  10   2.460 -11.277 -12.753
  108   HD21  LEU  10          HD21      LEU  10   5.667  -9.972 -13.586
  109   HD22  LEU  10          HD22      LEU  10   5.054 -10.220 -15.221
  110   HD23  LEU  10          HD23      LEU  10   5.168  -8.589 -14.560
  111    H    LYS  11           H        LYS  11   0.189  -8.183 -16.110
  112    HA   LYS  11           HA       LYS  11  -0.848 -10.053 -17.976
  113    HB2  LYS  11           HB2      LYS  11  -1.967  -7.437 -16.955
  114    HB3  LYS  11           HB3      LYS  11  -2.866  -8.575 -17.951
  115    HG2  LYS  11           HG2      LYS  11  -1.738  -9.139 -15.215
  116    HG3  LYS  11           HG3      LYS  11  -3.430  -8.805 -15.593
  117    HD2  LYS  11           HD2      LYS  11  -2.982 -10.828 -17.299
  118    HD3  LYS  11           HD3      LYS  11  -1.828 -11.252 -16.032
  119    HE2  LYS  11           HE2      LYS  11  -4.046 -10.613 -14.579
  120    HE3  LYS  11           HE3      LYS  11  -4.758 -11.331 -16.024
  121    HZ1  LYS  11           HZ1      LYS  11  -2.525 -12.727 -14.744
  122    HZ2  LYS  11           HZ2      LYS  11  -4.039 -12.796 -13.992
  123    HZ3  LYS  11           HZ3      LYS  11  -3.856 -13.357 -15.577
  124    H    LEU  12           H        LEU  12  -0.960  -6.522 -18.369
  125    HA   LEU  12           HA       LEU  12  -1.249  -6.491 -21.109
  126    HB2  LEU  12           HB2      LEU  12  -0.169  -4.548 -19.128
  127    HB3  LEU  12           HB3      LEU  12   0.017  -4.197 -20.845
  128    HG   LEU  12           HG       LEU  12  -1.969  -3.147 -19.679
  129   HD11  LEU  12          HD11      LEU  12  -2.884  -2.970 -21.701
  130   HD12  LEU  12          HD12      LEU  12  -1.634  -4.087 -22.249
  131   HD13  LEU  12          HD13      LEU  12  -3.223  -4.698 -21.789
  132   HD21  LEU  12          HD21      LEU  12  -3.171  -5.894 -19.917
  133   HD22  LEU  12          HD22      LEU  12  -2.504  -5.271 -18.408
  134   HD23  LEU  12          HD23      LEU  12  -3.868  -4.455 -19.172
  Start of MODEL    9
    1    H1   PHE   1           H        PHE   1   0.232   0.838  -0.149
    2    HA   PHE   1           HA       PHE   1   2.246   0.849  -1.497
    3    HB2  PHE   1           HB2      PHE   1   3.148  -1.029   0.039
    4    HB3  PHE   1           HB3      PHE   1   2.379  -2.129  -1.101
    5    HD1  PHE   1           HD1      PHE   1   3.019  -1.859  -3.582
    6    HD2  PHE   1           HD2      PHE   1   5.291  -0.257  -0.358
    7    HE1  PHE   1           HE1      PHE   1   4.994  -1.726  -5.044
    8    HE2  PHE   1           HE2      PHE   1   7.269  -0.121  -1.815
    9    HZ   PHE   1           HZ       PHE   1   7.122  -0.856  -4.161
   10    H    ARG   2           H        ARG   2   2.122   0.603  -3.698
   11    HA   ARG   2           HA       ARG   2  -0.383  -0.468  -4.700
   12    HB2  ARG   2           HB2      ARG   2   0.307   0.577  -6.838
   13    HB3  ARG   2           HB3      ARG   2   0.292   1.714  -5.497
   14    HG2  ARG   2           HG2      ARG   2   2.873   0.811  -5.462
   15    HG3  ARG   2           HG3      ARG   2   2.497   0.834  -7.186
   16    HD2  ARG   2           HD2      ARG   2   3.433   2.963  -6.513
   17    HD3  ARG   2           HD3      ARG   2   1.741   3.164  -6.970
   18    HE   ARG   2           HE       ARG   2   1.797   2.755  -4.227
   19   HH11  ARG   2          HH11      ARG   2   2.972   5.098  -6.518
   20   HH12  ARG   2          HH12      ARG   2   2.895   6.421  -5.402
   21   HH21  ARG   2          HH21      ARG   2   1.691   4.489  -2.749
   22   HH22  ARG   2          HH22      ARG   2   2.167   6.073  -3.258
   23    H    ILE   3           H        ILE   3   0.649  -2.655  -3.961
   24    HA   ILE   3           HA       ILE   3   2.634  -3.866  -5.554
   25    HB   ILE   3           HB       ILE   3   0.396  -5.235  -4.057
   26   HG12  ILE   3          HG12      ILE   3   2.763  -5.441  -2.595
   27   HG13  ILE   3          HG13      ILE   3   2.735  -3.769  -3.144
   28   HG21  ILE   3          HG21      ILE   3   1.892  -7.157  -4.005
   29   HG22  ILE   3          HG22      ILE   3   1.549  -6.674  -5.667
   30   HG23  ILE   3          HG23      ILE   3   3.096  -6.258  -4.930
   31   HD11  ILE   3          HD11      ILE   3   1.707  -4.003  -0.959
   32   HD12  ILE   3          HD12      ILE   3   0.525  -3.482  -2.159
   33   HD13  ILE   3          HD13      ILE   3   0.548  -5.159  -1.615
   34    H    MET   4           H        MET   4  -0.914  -4.233  -5.639
   35    HA   MET   4           HA       MET   4  -1.131  -5.918  -7.805
   36    HB2  MET   4           HB2      MET   4  -3.000  -3.609  -7.265
   37    HB3  MET   4           HB3      MET   4  -3.384  -5.125  -8.069
   38    HG2  MET   4           HG2      MET   4  -2.367  -5.807  -5.544
   39    HG3  MET   4           HG3      MET   4  -3.485  -4.469  -5.290
   40    HE1  MET   4           HE1      MET   4  -2.801  -7.518  -7.209
   41    HE2  MET   4           HE2      MET   4  -3.937  -8.660  -6.493
   42    HE3  MET   4           HE3      MET   4  -4.345  -7.837  -7.999
   43    H    ARG   5           H        ARG   5  -0.612  -2.438  -7.770
   44    HA   ARG   5           HA       ARG   5  -1.065  -1.910 -10.482
   45    HB2  ARG   5           HB2      ARG   5   0.679  -0.579  -8.418
   46    HB3  ARG   5           HB3      ARG   5   0.564   0.025 -10.065
   47    HG2  ARG   5           HG2      ARG   5  -2.046  -0.153  -9.467
   48    HG3  ARG   5           HG3      ARG   5  -1.383   0.150  -7.860
   49    HD2  ARG   5           HD2      ARG   5  -1.911   2.261  -8.835
   50    HD3  ARG   5           HD3      ARG   5  -0.155   2.101  -8.822
   51    HE   ARG   5           HE       ARG   5  -1.076   1.178 -11.285
   52   HH11  ARG   5          HH11      ARG   5  -0.934   4.154  -9.483
   53   HH12  ARG   5          HH12      ARG   5  -0.860   5.157 -10.894
   54   HH21  ARG   5          HH21      ARG   5  -0.980   2.488 -13.150
   55   HH22  ARG   5          HH22      ARG   5  -0.888   4.208 -12.979
   56    H    ILE   6           H        ILE   6   1.811  -3.041  -8.784
   57    HA   ILE   6           HA       ILE   6   3.554  -2.857 -11.028
   58    HB   ILE   6           HB       ILE   6   3.835  -4.585  -8.566
   59   HG12  ILE   6          HG12      ILE   6   4.859  -1.796  -9.139
   60   HG13  ILE   6          HG13      ILE   6   3.590  -2.214  -7.994
   61   HG21  ILE   6          HG21      ILE   6   5.754  -5.317  -9.408
   62   HG22  ILE   6          HG22      ILE   6   5.340  -4.526 -10.929
   63   HG23  ILE   6          HG23      ILE   6   6.296  -3.668  -9.721
   64   HD11  ILE   6          HD11      ILE   6   5.173  -3.417  -6.629
   65   HD12  ILE   6          HD12      ILE   6   6.453  -3.117  -7.805
   66   HD13  ILE   6          HD13      ILE   6   5.743  -1.772  -6.912
   67    H    LEU   7           H        LEU   7   1.771  -5.544  -9.535
   68    HA   LEU   7           HA       LEU   7   2.670  -7.609 -11.154
   69    HB2  LEU   7           HB2      LEU   7  -0.162  -7.373 -10.179
   70    HB3  LEU   7           HB3      LEU   7   0.773  -8.840 -10.459
   71    HG   LEU   7           HG       LEU   7   0.984  -6.894  -8.180
   72   HD11  LEU   7          HD11      LEU   7   1.033  -9.421  -7.179
   73   HD12  LEU   7          HD12      LEU   7  -0.418  -8.435  -7.358
   74   HD13  LEU   7          HD13      LEU   7   0.000  -9.621  -8.595
   75   HD21  LEU   7          HD21      LEU   7   2.948  -9.051  -8.947
   76   HD22  LEU   7          HD22      LEU   7   3.251  -7.314  -8.932
   77   HD23  LEU   7          HD23      LEU   7   2.944  -8.168  -7.420
   78    H    ARG   8           H        ARG   8   0.206  -5.181 -11.757
   79    HA   ARG   8           HA       ARG   8  -1.092  -6.252 -13.945
   80    HB2  ARG   8           HB2      ARG   8  -0.331  -3.369 -13.445
   81    HB3  ARG   8           HB3      ARG   8  -1.502  -3.901 -14.644
   82    HG2  ARG   8           HG2      ARG   8  -2.220  -5.046 -12.149
   83    HG3  ARG   8           HG3      ARG   8  -1.914  -3.325 -11.905
   84    HD2  ARG   8           HD2      ARG   8  -3.476  -3.997 -14.304
   85    HD3  ARG   8           HD3      ARG   8  -4.265  -4.359 -12.770
   86    HE   ARG   8           HE       ARG   8  -3.136  -1.725 -12.866
   87   HH11  ARG   8          HH11      ARG   8  -5.907  -3.667 -13.686
   88   HH12  ARG   8          HH12      ARG   8  -7.008  -2.329 -13.684
   89   HH21  ARG   8          HH21      ARG   8  -4.576   0.044 -12.861
   90   HH22  ARG   8          HH22      ARG   8  -6.249  -0.219 -13.216
   91    H    VAL   9           H        VAL   9   2.121  -4.950 -13.720
   92    HA   VAL   9           HA       VAL   9   2.651  -4.366 -16.394
   93    HB   VAL   9           HB       VAL   9   4.555  -5.487 -14.333
   94   HG11  VAL   9          HG11      VAL   9   5.675  -5.750 -16.351
   95   HG12  VAL   9          HG12      VAL   9   4.968  -4.293 -17.048
   96   HG13  VAL   9          HG13      VAL   9   6.213  -4.162 -15.806
   97   HG21  VAL   9          HG21      VAL   9   5.105  -3.236 -13.788
   98   HG22  VAL   9          HG22      VAL   9   4.128  -2.611 -15.117
   99   HG23  VAL   9          HG23      VAL   9   3.347  -3.369 -13.729
  100    H    LEU  10           H        LEU  10   2.838  -7.435 -14.647
  101    HA   LEU  10           HA       LEU  10   3.601  -8.820 -17.105
  102    HB2  LEU  10           HB2      LEU  10   3.288  -9.881 -14.301
  103    HB3  LEU  10           HB3      LEU  10   3.932 -10.769 -15.681
  104    HG   LEU  10           HG       LEU  10   5.357  -8.278 -15.078
  105   HD11  LEU  10          HD11      LEU  10   6.399  -8.958 -13.081
  106   HD12  LEU  10          HD12      LEU  10   4.670  -9.171 -12.807
  107   HD13  LEU  10          HD13      LEU  10   5.685 -10.569 -13.162
  108   HD21  LEU  10          HD21      LEU  10   7.246  -9.564 -15.627
  109   HD22  LEU  10          HD22      LEU  10   6.416 -11.082 -15.287
  110   HD23  LEU  10          HD23      LEU  10   5.973 -10.135 -16.707
  111    H    LYS  11           H        LYS  11   0.975  -7.669 -16.897
  112    HA   LYS  11           HA       LYS  11  -0.619 -10.130 -17.135
  113    HB2  LYS  11           HB2      LYS  11  -1.052  -7.866 -15.362
  114    HB3  LYS  11           HB3      LYS  11  -2.432  -8.140 -16.417
  115    HG2  LYS  11           HG2      LYS  11  -2.782  -9.355 -14.399
  116    HG3  LYS  11           HG3      LYS  11  -2.442 -10.517 -15.684
  117    HD2  LYS  11           HD2      LYS  11  -0.361 -11.041 -14.841
  118    HD3  LYS  11           HD3      LYS  11  -0.196  -9.498 -14.001
  119    HE2  LYS  11           HE2      LYS  11  -2.438 -10.775 -12.885
  120    HE3  LYS  11           HE3      LYS  11  -1.184 -12.007 -13.020
  121    HZ1  LYS  11           HZ1      LYS  11  -1.381  -9.869 -11.180
  122    HZ2  LYS  11           HZ2      LYS  11  -0.283 -11.155 -11.202
  123    HZ3  LYS  11           HZ3      LYS  11   0.061  -9.735 -12.055
  124    H    LEU  12           H        LEU  12  -1.351  -6.687 -17.627
  125    HA   LEU  12           HA       LEU  12  -2.175  -7.339 -20.369
  126    HB2  LEU  12           HB2      LEU  12  -2.931  -5.162 -18.453
  127    HB3  LEU  12           HB3      LEU  12  -3.238  -4.998 -20.181
  128    HG   LEU  12           HG       LEU  12  -4.311  -7.257 -18.499
  129   HD11  LEU  12          HD11      LEU  12  -5.618  -5.681 -17.586
  130   HD12  LEU  12          HD12      LEU  12  -5.235  -4.494 -18.833
  131   HD13  LEU  12          HD13      LEU  12  -6.459  -5.727 -19.135
  132   HD21  LEU  12          HD21      LEU  12  -4.584  -8.080 -20.579
  133   HD22  LEU  12          HD22      LEU  12  -5.966  -6.985 -20.610
  134   HD23  LEU  12          HD23      LEU  12  -4.438  -6.496 -21.342
  Start of MODEL   10
    1    H1   PHE   1           H        PHE   1   0.835  -0.268   0.038
    2    HA   PHE   1           HA       PHE   1   2.691   0.835  -1.535
    3    HB2  PHE   1           HB2      PHE   1   4.311  -0.774  -0.429
    4    HB3  PHE   1           HB3      PHE   1   3.499  -2.065  -1.310
    5    HD1  PHE   1           HD1      PHE   1   3.328  -1.730  -3.891
    6    HD2  PHE   1           HD2      PHE   1   6.120   0.280  -1.385
    7    HE1  PHE   1           HE1      PHE   1   4.768  -1.306  -5.841
    8    HE2  PHE   1           HE2      PHE   1   7.564   0.708  -3.331
    9    HZ   PHE   1           HZ       PHE   1   6.888  -0.084  -5.563
   10    H    ARG   2           H        ARG   2   2.013   0.805  -3.609
   11    HA   ARG   2           HA       ARG   2  -0.332  -0.739  -4.234
   12    HB2  ARG   2           HB2      ARG   2  -0.251   0.488  -6.396
   13    HB3  ARG   2           HB3      ARG   2  -0.233   1.547  -4.992
   14    HG2  ARG   2           HG2      ARG   2   2.428   1.191  -5.445
   15    HG3  ARG   2           HG3      ARG   2   1.771   1.158  -7.083
   16    HD2  ARG   2           HD2      ARG   2   1.033   3.297  -5.107
   17    HD3  ARG   2           HD3      ARG   2   2.459   3.427  -6.134
   18    HE   ARG   2           HE       ARG   2   0.026   2.863  -7.566
   19   HH11  ARG   2          HH11      ARG   2   2.089   5.347  -6.265
   20   HH12  ARG   2          HH12      ARG   2   1.518   6.571  -7.349
   21   HH21  ARG   2          HH21      ARG   2  -0.735   4.466  -8.999
   22   HH22  ARG   2          HH22      ARG   2  -0.089   6.070  -8.903
   23    H    ILE   3           H        ILE   3   0.986  -2.791  -3.935
   24    HA   ILE   3           HA       ILE   3   2.893  -3.572  -5.868
   25    HB   ILE   3           HB       ILE   3   1.079  -5.373  -4.260
   26   HG12  ILE   3          HG12      ILE   3   3.566  -5.362  -3.054
   27   HG13  ILE   3          HG13      ILE   3   3.334  -3.674  -3.494
   28   HG21  ILE   3          HG21      ILE   3   3.587  -5.816  -5.836
   29   HG22  ILE   3          HG22      ILE   3   3.162  -6.877  -4.493
   30   HG23  ILE   3          HG23      ILE   3   2.074  -6.720  -5.872
   31   HD11  ILE   3          HD11      ILE   3   1.804  -5.366  -1.588
   32   HD12  ILE   3          HD12      ILE   3   2.420  -3.724  -1.401
   33   HD13  ILE   3          HD13      ILE   3   0.992  -4.023  -2.392
   34    H    MET   4           H        MET   4  -0.584  -4.289  -5.573
   35    HA   MET   4           HA       MET   4  -0.910  -5.878  -7.803
   36    HB2  MET   4           HB2      MET   4  -2.886  -3.784  -6.892
   37    HB3  MET   4           HB3      MET   4  -3.239  -5.269  -7.764
   38    HG2  MET   4           HG2      MET   4  -1.864  -5.978  -5.399
   39    HG3  MET   4           HG3      MET   4  -3.123  -4.825  -4.963
   40    HE1  MET   4           HE1      MET   4  -3.928  -8.172  -7.793
   41    HE2  MET   4           HE2      MET   4  -2.354  -7.500  -7.367
   42    HE3  MET   4           HE3      MET   4  -2.992  -8.883  -6.478
   43    H    ARG   5           H        ARG   5  -0.638  -2.382  -7.602
   44    HA   ARG   5           HA       ARG   5  -1.471  -1.740 -10.201
   45    HB2  ARG   5           HB2      ARG   5   0.192  -0.410  -8.120
   46    HB3  ARG   5           HB3      ARG   5   0.273   0.225  -9.758
   47    HG2  ARG   5           HG2      ARG   5  -1.368   1.456  -8.529
   48    HG3  ARG   5           HG3      ARG   5  -2.191   0.466  -9.737
   49    HD2  ARG   5           HD2      ARG   5  -1.853  -0.910  -7.198
   50    HD3  ARG   5           HD3      ARG   5  -2.776   0.584  -7.040
   51    HE   ARG   5           HE       ARG   5  -3.612  -1.838  -8.331
   52   HH11  ARG   5          HH11      ARG   5  -4.025   1.616  -8.210
   53   HH12  ARG   5          HH12      ARG   5  -5.629   1.579  -8.864
   54   HH21  ARG   5          HH21      ARG   5  -5.723  -1.901  -9.193
   55   HH22  ARG   5          HH22      ARG   5  -6.594  -0.423  -9.422
   56    H    ILE   6           H        ILE   6   1.607  -2.857  -8.945
   57    HA   ILE   6           HA       ILE   6   2.933  -2.477 -11.503
   58    HB   ILE   6           HB       ILE   6   4.033  -3.846  -9.051
   59   HG12  ILE   6          HG12      ILE   6   4.109  -0.927  -9.838
   60   HG13  ILE   6          HG13      ILE   6   3.354  -1.616  -8.405
   61   HG21  ILE   6          HG21      ILE   6   6.101  -3.744 -10.042
   62   HG22  ILE   6          HG22      ILE   6   5.074  -3.995 -11.453
   63   HG23  ILE   6          HG23      ILE   6   5.663  -2.378 -11.067
   64   HD11  ILE   6          HD11      ILE   6   5.678  -2.400  -7.753
   65   HD12  ILE   6          HD12      ILE   6   6.271  -1.325  -9.019
   66   HD13  ILE   6          HD13      ILE   6   5.356  -0.668  -7.662
   67    H    LEU   7           H        LEU   7   1.738  -5.110  -9.483
   68    HA   LEU   7           HA       LEU   7   2.777  -7.252 -10.968
   69    HB2  LEU   7           HB2      LEU   7   0.588  -6.886  -9.005
   70    HB3  LEU   7           HB3      LEU   7   0.548  -8.346  -9.992
   71    HG   LEU   7           HG       LEU   7   2.807  -7.509  -8.174
   72   HD11  LEU   7          HD11      LEU   7   0.849  -9.778  -7.870
   73   HD12  LEU   7          HD12      LEU   7   2.107  -9.289  -6.735
   74   HD13  LEU   7          HD13      LEU   7   0.724  -8.235  -7.025
   75   HD21  LEU   7          HD21      LEU   7   4.072  -9.075  -9.118
   76   HD22  LEU   7          HD22      LEU   7   2.771 -10.263  -9.042
   77   HD23  LEU   7          HD23      LEU   7   2.877  -9.159 -10.413
   78    H    ARG   8           H        ARG   8  -0.273  -5.479 -11.247
   79    HA   ARG   8           HA       ARG   8  -1.557  -7.037 -13.141
   80    HB2  ARG   8           HB2      ARG   8  -2.782  -5.002 -13.770
   81    HB3  ARG   8           HB3      ARG   8  -2.643  -5.161 -12.024
   82    HG2  ARG   8           HG2      ARG   8  -1.505  -3.253 -11.828
   83    HG3  ARG   8           HG3      ARG   8  -0.478  -3.616 -13.217
   84    HD2  ARG   8           HD2      ARG   8  -3.191  -3.064 -14.037
   85    HD3  ARG   8           HD3      ARG   8  -2.534  -1.736 -13.082
   86    HE   ARG   8           HE       ARG   8  -0.617  -2.477 -14.972
   87   HH11  ARG   8          HH11      ARG   8  -3.794  -1.059 -14.849
   88   HH12  ARG   8          HH12      ARG   8  -3.581  -0.137 -16.300
   89   HH21  ARG   8          HH21      ARG   8  -0.325  -1.268 -16.884
   90   HH22  ARG   8          HH22      ARG   8  -1.608  -0.257 -17.457
   91    H    VAL   9           H        VAL   9   1.208  -5.002 -13.488
   92    HA   VAL   9           HA       VAL   9   1.114  -4.393 -16.211
   93    HB   VAL   9           HB       VAL   9   3.558  -4.964 -14.528
   94   HG11  VAL   9          HG11      VAL   9   3.198  -4.139 -17.316
   95   HG12  VAL   9          HG12      VAL   9   4.296  -3.117 -16.389
   96   HG13  VAL   9          HG13      VAL   9   4.597  -4.851 -16.513
   97   HG21  VAL   9          HG21      VAL   9   1.973  -3.175 -13.710
   98   HG22  VAL   9          HG22      VAL   9   3.628  -2.650 -14.023
   99   HG23  VAL   9          HG23      VAL   9   2.352  -2.286 -15.185
  100    H    LEU  10           H        LEU  10   2.299  -7.274 -14.542
  101    HA   LEU  10           HA       LEU  10   3.545  -8.584 -16.633
  102    HB2  LEU  10           HB2      LEU  10   1.831  -9.908 -14.541
  103    HB3  LEU  10           HB3      LEU  10   3.169 -10.627 -15.433
  104    HG   LEU  10           HG       LEU  10   3.344  -8.496 -13.307
  105   HD11  LEU  10          HD11      LEU  10   4.618 -10.206 -12.098
  106   HD12  LEU  10          HD12      LEU  10   2.968 -10.729 -12.434
  107   HD13  LEU  10          HD13      LEU  10   4.305 -11.352 -13.401
  108   HD21  LEU  10          HD21      LEU  10   5.040  -7.898 -14.782
  109   HD22  LEU  10          HD22      LEU  10   5.854  -8.967 -13.641
  110   HD23  LEU  10          HD23      LEU  10   5.377  -9.571 -15.228
  111    H    LYS  11           H        LYS  11   0.134  -8.206 -15.963
  112    HA   LYS  11           HA       LYS  11  -0.845 -10.191 -17.712
  113    HB2  LYS  11           HB2      LYS  11  -2.219  -7.602 -16.984
  114    HB3  LYS  11           HB3      LYS  11  -2.980  -9.098 -17.507
  115    HG2  LYS  11           HG2      LYS  11  -1.437  -8.753 -14.944
  116    HG3  LYS  11           HG3      LYS  11  -3.196  -8.703 -15.089
  117    HD2  LYS  11           HD2      LYS  11  -2.060 -11.070 -16.327
  118    HD3  LYS  11           HD3      LYS  11  -1.643 -10.948 -14.616
  119    HE2  LYS  11           HE2      LYS  11  -4.445 -10.344 -15.260
  120    HE3  LYS  11           HE3      LYS  11  -3.954 -12.007 -15.575
  121    HZ1  LYS  11           HZ1      LYS  11  -3.925 -12.450 -13.413
  122    HZ2  LYS  11           HZ2      LYS  11  -3.001 -11.079 -13.052
  123    HZ3  LYS  11           HZ3      LYS  11  -4.686 -10.960 -13.156
  124    H    LEU  12           H        LEU  12   0.198  -6.888 -18.212
  125    HA   LEU  12           HA       LEU  12  -0.673  -6.965 -21.002
  126    HB2  LEU  12           HB2      LEU  12   0.671  -4.699 -19.550
  127    HB3  LEU  12           HB3      LEU  12  -0.199  -4.628 -21.081
  128    HG   LEU  12           HG       LEU  12  -1.624  -5.406 -18.564
  129   HD11  LEU  12          HD11      LEU  12  -1.001  -3.424 -17.697
  130   HD12  LEU  12          HD12      LEU  12  -0.535  -2.762 -19.263
  131   HD13  LEU  12          HD13      LEU  12  -2.233  -2.791 -18.788
  132   HD21  LEU  12          HD21      LEU  12  -2.461  -4.064 -21.132
  133   HD22  LEU  12          HD22      LEU  12  -2.788  -5.732 -20.661
  134   HD23  LEU  12          HD23      LEU  12  -3.524  -4.403 -19.767
  Start of MODEL   11
    1    H1   PHE   1           H        PHE   1   2.127  -0.599   1.251
    2    HA   PHE   1           HA       PHE   1   2.630   0.366  -0.969
    3    HB2  PHE   1           HB2      PHE   1   4.141  -1.388   0.061
    4    HB3  PHE   1           HB3      PHE   1   3.313  -2.575  -0.941
    5    HD1  PHE   1           HD1      PHE   1   3.312  -2.161  -3.477
    6    HD2  PHE   1           HD2      PHE   1   5.967  -0.231  -0.767
    7    HE1  PHE   1           HE1      PHE   1   4.841  -1.658  -5.338
    8    HE2  PHE   1           HE2      PHE   1   7.499   0.276  -2.624
    9    HZ   PHE   1           HZ       PHE   1   6.937  -0.437  -4.914
   10    H    ARG   2           H        ARG   2   2.130   0.461  -3.111
   11    HA   ARG   2           HA       ARG   2  -0.284  -0.879  -3.941
   12    HB2  ARG   2           HB2      ARG   2   0.048   0.455  -6.045
   13    HB3  ARG   2           HB3      ARG   2  -0.070   1.412  -4.575
   14    HG2  ARG   2           HG2      ARG   2   2.172   1.980  -4.606
   15    HG3  ARG   2           HG3      ARG   2   2.605   0.617  -5.641
   16    HD2  ARG   2           HD2      ARG   2   2.723   2.396  -7.110
   17    HD3  ARG   2           HD3      ARG   2   1.089   1.796  -7.387
   18    HE   ARG   2           HE       ARG   2   0.730   3.682  -5.487
   19   HH11  ARG   2          HH11      ARG   2   2.351   3.681  -8.568
   20   HH12  ARG   2          HH12      ARG   2   2.049   5.360  -8.874
   21   HH21  ARG   2          HH21      ARG   2   0.326   5.892  -5.878
   22   HH22  ARG   2          HH22      ARG   2   0.897   6.616  -7.343
   23    H    ILE   3           H        ILE   3   0.882  -3.025  -3.711
   24    HA   ILE   3           HA       ILE   3   2.848  -3.809  -5.580
   25    HB   ILE   3           HB       ILE   3   0.826  -5.585  -4.212
   26   HG12  ILE   3          HG12      ILE   3   3.187  -5.833  -2.829
   27   HG13  ILE   3          HG13      ILE   3   3.158  -4.114  -3.203
   28   HG21  ILE   3          HG21      ILE   3   2.115  -6.551  -6.126
   29   HG22  ILE   3          HG22      ILE   3   3.589  -6.257  -5.203
   30   HG23  ILE   3          HG23      ILE   3   2.367  -7.367  -4.583
   31   HD11  ILE   3          HD11      ILE   3   0.673  -4.359  -2.312
   32   HD12  ILE   3          HD12      ILE   3   1.404  -5.704  -1.435
   33   HD13  ILE   3          HD13      ILE   3   2.043  -4.072  -1.238
   34    H    MET   4           H        MET   4  -0.683  -4.255  -5.547
   35    HA   MET   4           HA       MET   4  -0.991  -5.698  -7.875
   36    HB2  MET   4           HB2      MET   4  -2.829  -3.478  -6.971
   37    HB3  MET   4           HB3      MET   4  -3.255  -4.865  -7.964
   38    HG2  MET   4           HG2      MET   4  -2.122  -5.841  -5.561
   39    HG3  MET   4           HG3      MET   4  -3.310  -4.610  -5.141
   40    HE1  MET   4           HE1      MET   4  -4.033  -7.486  -8.334
   41    HE2  MET   4           HE2      MET   4  -2.502  -7.331  -7.473
   42    HE3  MET   4           HE3      MET   4  -3.635  -8.608  -7.033
   43    H    ARG   5           H        ARG   5  -0.505  -2.232  -7.476
   44    HA   ARG   5           HA       ARG   5  -1.079  -1.385 -10.067
   45    HB2  ARG   5           HB2      ARG   5   0.518  -0.349  -7.801
   46    HB3  ARG   5           HB3      ARG   5   0.915   0.308  -9.383
   47    HG2  ARG   5           HG2      ARG   5  -0.670   1.771  -8.456
   48    HG3  ARG   5           HG3      ARG   5  -1.548   0.810  -9.648
   49    HD2  ARG   5           HD2      ARG   5  -1.899  -0.715  -7.455
   50    HD3  ARG   5           HD3      ARG   5  -1.789   0.879  -6.708
   51    HE   ARG   5           HE       ARG   5  -3.944  -0.138  -8.303
   52   HH11  ARG   5          HH11      ARG   5  -2.289   2.742  -7.262
   53   HH12  ARG   5          HH12      ARG   5  -3.662   3.773  -7.495
   54   HH21  ARG   5          HH21      ARG   5  -5.759   1.208  -8.614
   55   HH22  ARG   5          HH22      ARG   5  -5.636   2.898  -8.263
   56    H    ILE   6           H        ILE   6   1.730  -3.002  -8.775
   57    HA   ILE   6           HA       ILE   6   3.304  -2.552 -11.168
   58    HB   ILE   6           HB       ILE   6   3.951  -4.397  -8.872
   59   HG12  ILE   6          HG12      ILE   6   4.594  -1.461  -9.217
   60   HG13  ILE   6          HG13      ILE   6   3.554  -2.165  -7.983
   61   HG21  ILE   6          HG21      ILE   6   5.222  -4.663 -10.997
   62   HG22  ILE   6          HG22      ILE   6   5.777  -2.998 -10.818
   63   HG23  ILE   6          HG23      ILE   6   6.221  -4.210  -9.615
   64   HD11  ILE   6          HD11      ILE   6   5.455  -3.303  -7.003
   65   HD12  ILE   6          HD12      ILE   6   6.507  -2.664  -8.266
   66   HD13  ILE   6          HD13      ILE   6   5.753  -1.568  -7.109
   67    H    LEU   7           H        LEU   7   1.583  -5.212  -9.601
   68    HA   LEU   7           HA       LEU   7   2.380  -7.273 -11.319
   69    HB2  LEU   7           HB2      LEU   7  -0.325  -7.056 -10.023
   70    HB3  LEU   7           HB3      LEU   7   0.548  -8.522 -10.466
   71    HG   LEU   7           HG       LEU   7   1.035  -6.674  -8.152
   72   HD11  LEU   7          HD11      LEU   7  -0.012  -8.280  -7.043
   73   HD12  LEU   7          HD12      LEU   7  -0.195  -9.215  -8.527
   74   HD13  LEU   7          HD13      LEU   7   1.243  -9.420  -7.527
   75   HD21  LEU   7          HD21      LEU   7   3.202  -7.012  -9.172
   76   HD22  LEU   7          HD22      LEU   7   3.084  -7.964  -7.692
   77   HD23  LEU   7          HD23      LEU   7   2.920  -8.750  -9.263
   78    H    ARG   8           H        ARG   8  -0.362  -5.036 -11.509
   79    HA   ARG   8           HA       ARG   8  -1.654  -6.114 -13.719
   80    HB2  ARG   8           HB2      ARG   8  -2.590  -3.860 -14.066
   81    HB3  ARG   8           HB3      ARG   8  -2.645  -4.346 -12.376
   82    HG2  ARG   8           HG2      ARG   8  -1.103  -2.793 -11.732
   83    HG3  ARG   8           HG3      ARG   8  -0.308  -2.768 -13.307
   84    HD2  ARG   8           HD2      ARG   8  -1.374  -0.799 -13.536
   85    HD3  ARG   8           HD3      ARG   8  -2.748  -1.816 -13.969
   86    HE   ARG   8           HE       ARG   8  -2.704  -1.464 -11.183
   87   HH11  ARG   8          HH11      ARG   8  -3.299   0.327 -14.108
   88   HH12  ARG   8          HH12      ARG   8  -4.401   1.435 -13.360
   89   HH21  ARG   8          HH21      ARG   8  -4.152  -0.011 -10.186
   90   HH22  ARG   8          HH22      ARG   8  -4.885   1.243 -11.129
   91    H    VAL   9           H        VAL   9   1.306  -4.336 -13.519
   92    HA   VAL   9           HA       VAL   9   1.504  -3.302 -16.102
   93    HB   VAL   9           HB       VAL   9   3.767  -4.398 -14.427
   94   HG11  VAL   9          HG11      VAL   9   4.836  -2.336 -15.748
   95   HG12  VAL   9          HG12      VAL   9   4.837  -3.981 -16.382
   96   HG13  VAL   9          HG13      VAL   9   3.622  -2.826 -16.930
   97   HG21  VAL   9          HG21      VAL   9   2.427  -2.788 -13.171
   98   HG22  VAL   9          HG22      VAL   9   4.006  -2.116 -13.578
   99   HG23  VAL   9          HG23      VAL   9   2.578  -1.625 -14.489
  100    H    LEU  10           H        LEU  10   2.113  -6.538 -14.876
  101    HA   LEU  10           HA       LEU  10   3.018  -7.429 -17.508
  102    HB2  LEU  10           HB2      LEU  10   2.815  -8.948 -14.913
  103    HB3  LEU  10           HB3      LEU  10   3.549  -9.535 -16.403
  104    HG   LEU  10           HG       LEU  10   4.704  -7.037 -15.384
  105   HD11  LEU  10          HD11      LEU  10   5.792  -7.899 -13.499
  106   HD12  LEU  10          HD12      LEU  10   4.110  -8.395 -13.309
  107   HD13  LEU  10          HD13      LEU  10   5.313  -9.556 -13.870
  108   HD21  LEU  10          HD21      LEU  10   6.347  -9.435 -15.792
  109   HD22  LEU  10          HD22      LEU  10   5.403  -8.935 -17.196
  110   HD23  LEU  10          HD23      LEU  10   6.530  -7.806 -16.442
  111    H    LYS  11           H        LYS  11   0.283  -6.604 -17.162
  112    HA   LYS  11           HA       LYS  11  -1.562  -8.607 -16.743
  113    HB2  LYS  11           HB2      LYS  11  -3.031  -7.365 -18.318
  114    HB3  LYS  11           HB3      LYS  11  -2.262  -6.330 -17.122
  115    HG2  LYS  11           HG2      LYS  11  -0.602  -6.476 -19.441
  116    HG3  LYS  11           HG3      LYS  11  -2.249  -6.063 -19.922
  117    HD2  LYS  11           HD2      LYS  11  -2.033  -4.420 -17.846
  118    HD3  LYS  11           HD3      LYS  11  -0.318  -4.554 -18.241
  119    HE2  LYS  11           HE2      LYS  11  -2.357  -3.947 -20.354
  120    HE3  LYS  11           HE3      LYS  11  -1.695  -2.670 -19.335
  121    HZ1  LYS  11           HZ1      LYS  11  -0.488  -4.060 -21.535
  122    HZ2  LYS  11           HZ2      LYS  11  -0.071  -2.577 -20.836
  123    HZ3  LYS  11           HZ3      LYS  11   0.506  -4.020 -20.167
  124    H    LEU  12           H        LEU  12   0.521  -8.080 -19.502
  125    HA   LEU  12           HA       LEU  12  -0.611 -10.489 -20.766
  126    HB2  LEU  12           HB2      LEU  12   0.720  -8.090 -22.007
  127    HB3  LEU  12           HB3      LEU  12   0.364  -9.575 -22.887
  128    HG   LEU  12           HG       LEU  12  -1.643  -7.682 -21.665
  129   HD11  LEU  12          HD11      LEU  12  -2.023  -6.854 -23.741
  130   HD12  LEU  12          HD12      LEU  12  -0.326  -7.287 -23.944
  131   HD13  LEU  12          HD13      LEU  12  -1.588  -8.361 -24.546
  132   HD21  LEU  12          HD21      LEU  12  -1.847 -10.472 -22.421
  133   HD22  LEU  12          HD22      LEU  12  -3.003  -9.443 -21.577
  134   HD23  LEU  12          HD23      LEU  12  -2.956  -9.455 -23.340
  Start of MODEL   12
    1    H1   PHE   1           H        PHE   1   2.149   0.696   0.521
    2    HA   PHE   1           HA       PHE   1   2.564   1.316  -2.062
    3    HB2  PHE   1           HB2      PHE   1   3.972  -0.148  -0.423
    4    HB3  PHE   1           HB3      PHE   1   3.162  -1.499  -1.211
    5    HD1  PHE   1           HD1      PHE   1   3.308  -1.599  -3.780
    6    HD2  PHE   1           HD2      PHE   1   5.886   0.760  -1.350
    7    HE1  PHE   1           HE1      PHE   1   4.953  -1.521  -5.608
    8    HE2  PHE   1           HE2      PHE   1   7.535   0.843  -3.174
    9    HZ   PHE   1           HZ       PHE   1   7.070  -0.298  -5.307
   10    H    ARG   2           H        ARG   2   1.716   0.889  -4.001
   11    HA   ARG   2           HA       ARG   2  -0.601  -0.855  -4.145
   12    HB2  ARG   2           HB2      ARG   2   0.459   0.564  -6.542
   13    HB3  ARG   2           HB3      ARG   2  -1.205   0.291  -6.045
   14    HG2  ARG   2           HG2      ARG   2  -0.895   1.971  -4.252
   15    HG3  ARG   2           HG3      ARG   2   0.718   2.297  -4.889
   16    HD2  ARG   2           HD2      ARG   2  -0.659   3.955  -5.825
   17    HD3  ARG   2           HD3      ARG   2  -0.425   2.770  -7.110
   18    HE   ARG   2           HE       ARG   2  -2.665   2.273  -7.023
   19   HH11  ARG   2          HH11      ARG   2  -1.783   4.165  -4.237
   20   HH12  ARG   2          HH12      ARG   2  -3.419   4.417  -3.727
   21   HH21  ARG   2          HH21      ARG   2  -4.824   2.598  -6.362
   22   HH22  ARG   2          HH22      ARG   2  -5.148   3.524  -4.936
   23    H    ILE   3           H        ILE   3   1.136  -2.634  -3.689
   24    HA   ILE   3           HA       ILE   3   2.936  -3.541  -5.563
   25    HB   ILE   3           HB       ILE   3   1.142  -5.326  -3.918
   26   HG12  ILE   3          HG12      ILE   3   3.524  -5.122  -2.566
   27   HG13  ILE   3          HG13      ILE   3   3.297  -3.481  -3.161
   28   HG21  ILE   3          HG21      ILE   3   3.935  -6.073  -4.372
   29   HG22  ILE   3          HG22      ILE   3   2.468  -7.045  -4.475
   30   HG23  ILE   3          HG23      ILE   3   2.948  -6.028  -5.833
   31   HD11  ILE   3          HD11      ILE   3   0.842  -3.974  -2.187
   32   HD12  ILE   3          HD12      ILE   3   1.818  -4.974  -1.111
   33   HD13  ILE   3          HD13      ILE   3   2.148  -3.247  -1.251
   34    H    MET   4           H        MET   4  -0.531  -4.310  -5.355
   35    HA   MET   4           HA       MET   4  -0.717  -6.073  -7.481
   36    HB2  MET   4           HB2      MET   4  -2.787  -4.002  -6.735
   37    HB3  MET   4           HB3      MET   4  -3.071  -5.522  -7.573
   38    HG2  MET   4           HG2      MET   4  -1.749  -6.047  -5.100
   39    HG3  MET   4           HG3      MET   4  -3.148  -5.016  -4.810
   40    HE1  MET   4           HE1      MET   4  -2.746  -9.160  -6.389
   41    HE2  MET   4           HE2      MET   4  -3.396  -8.217  -7.730
   42    HE3  MET   4           HE3      MET   4  -1.889  -7.726  -6.956
   43    H    ARG   5           H        ARG   5  -0.720  -2.544  -7.497
   44    HA   ARG   5           HA       ARG   5  -1.457  -2.073 -10.128
   45    HB2  ARG   5           HB2      ARG   5  -0.357  -0.575  -7.986
   46    HB3  ARG   5           HB3      ARG   5   0.631  -0.253  -9.405
   47    HG2  ARG   5           HG2      ARG   5  -1.109   1.384  -9.281
   48    HG3  ARG   5           HG3      ARG   5  -1.428   0.321 -10.653
   49    HD2  ARG   5           HD2      ARG   5  -2.640  -0.547  -8.129
   50    HD3  ARG   5           HD3      ARG   5  -3.245   0.993  -8.738
   51    HE   ARG   5           HE       ARG   5  -3.816  -1.580  -9.779
   52   HH11  ARG   5          HH11      ARG   5  -3.233   1.715 -10.743
   53   HH12  ARG   5          HH12      ARG   5  -4.165   1.592 -12.198
   54   HH21  ARG   5          HH21      ARG   5  -5.046  -1.754 -11.693
   55   HH22  ARG   5          HH22      ARG   5  -5.197  -0.382 -12.737
   56    H    ILE   6           H        ILE   6   1.643  -3.055  -8.801
   57    HA   ILE   6           HA       ILE   6   3.070  -2.716 -11.269
   58    HB   ILE   6           HB       ILE   6   3.860  -4.275  -8.806
   59   HG12  ILE   6          HG12      ILE   6   4.451  -1.430  -9.647
   60   HG13  ILE   6          HG13      ILE   6   3.495  -1.939  -8.259
   61   HG21  ILE   6          HG21      ILE   6   5.082  -4.935 -10.830
   62   HG22  ILE   6          HG22      ILE   6   5.549  -3.253 -11.085
   63   HG23  ILE   6          HG23      ILE   6   6.127  -4.123  -9.664
   64   HD11  ILE   6          HD11      ILE   6   5.525  -2.976  -7.304
   65   HD12  ILE   6          HD12      ILE   6   6.451  -2.319  -8.654
   66   HD13  ILE   6          HD13      ILE   6   5.656  -1.230  -7.517
   67    H    LEU   7           H        LEU   7   1.804  -5.494  -9.454
   68    HA   LEU   7           HA       LEU   7   2.692  -7.548 -11.074
   69    HB2  LEU   7           HB2      LEU   7  -0.035  -7.493  -9.811
   70    HB3  LEU   7           HB3      LEU   7   0.979  -8.896 -10.141
   71    HG   LEU   7           HG       LEU   7   1.266  -6.846  -7.965
   72   HD11  LEU   7          HD11      LEU   7  -0.130  -8.651  -7.349
   73   HD12  LEU   7          HD12      LEU   7   0.961  -9.836  -8.069
   74   HD13  LEU   7          HD13      LEU   7   1.441  -8.966  -6.612
   75   HD21  LEU   7          HD21      LEU   7   3.407  -7.917  -7.390
   76   HD22  LEU   7          HD22      LEU   7   3.329  -8.845  -8.888
   77   HD23  LEU   7          HD23      LEU   7   3.469  -7.088  -8.945
   78    H    ARG   8           H        ARG   8  -0.015  -5.365 -11.537
   79    HA   ARG   8           HA       ARG   8  -1.437  -6.657 -13.518
   80    HB2  ARG   8           HB2      ARG   8  -0.858  -3.701 -13.261
   81    HB3  ARG   8           HB3      ARG   8  -2.104  -4.392 -14.291
   82    HG2  ARG   8           HG2      ARG   8  -2.281  -5.286 -11.525
   83    HG3  ARG   8           HG3      ARG   8  -2.441  -3.539 -11.711
   84    HD2  ARG   8           HD2      ARG   8  -4.344  -3.718 -13.008
   85    HD3  ARG   8           HD3      ARG   8  -3.963  -5.362 -13.520
   86    HE   ARG   8           HE       ARG   8  -4.397  -5.462 -10.788
   87   HH11  ARG   8          HH11      ARG   8  -6.199  -4.636 -13.650
   88   HH12  ARG   8          HH12      ARG   8  -7.726  -5.112 -12.984
   89   HH21  ARG   8          HH21      ARG   8  -6.402  -6.092  -9.900
   90   HH22  ARG   8          HH22      ARG   8  -7.840  -5.939 -10.851
   91    H    VAL   9           H        VAL   9   1.670  -5.110 -13.701
   92    HA   VAL   9           HA       VAL   9   1.874  -4.664 -16.449
   93    HB   VAL   9           HB       VAL   9   4.065  -5.477 -14.534
   94   HG11  VAL   9          HG11      VAL   9   5.263  -3.928 -16.397
   95   HG12  VAL   9          HG12      VAL   9   5.224  -5.690 -16.454
   96   HG13  VAL   9          HG13      VAL   9   4.057  -4.752 -17.386
   97   HG21  VAL   9          HG21      VAL   9   4.009  -2.700 -15.318
   98   HG22  VAL   9          HG22      VAL   9   2.490  -3.177 -14.558
   99   HG23  VAL   9          HG23      VAL   9   4.015  -3.413 -13.704
  100    H    LEU  10           H        LEU  10   2.358  -7.592 -14.555
  101    HA   LEU  10           HA       LEU  10   3.605  -9.213 -16.417
  102    HB2  LEU  10           HB2      LEU  10   1.450 -10.065 -14.492
  103    HB3  LEU  10           HB3      LEU  10   2.679 -11.097 -15.220
  104    HG   LEU  10           HG       LEU  10   3.335  -8.823 -13.357
  105   HD11  LEU  10          HD11      LEU  10   2.531 -11.636 -12.786
  106   HD12  LEU  10          HD12      LEU  10   3.754 -10.862 -11.777
  107   HD13  LEU  10          HD13      LEU  10   2.145 -10.153 -11.913
  108   HD21  LEU  10          HD21      LEU  10   5.478  -9.437 -13.578
  109   HD22  LEU  10          HD22      LEU  10   5.088 -11.157 -13.563
  110   HD23  LEU  10          HD23      LEU  10   4.938 -10.232 -15.057
  111    H    LYS  11           H        LYS  11   0.231  -8.286 -16.170
  112    HA   LYS  11           HA       LYS  11  -0.371  -9.891 -18.561
  113    HB2  LYS  11           HB2      LYS  11  -2.016  -8.953 -16.252
  114    HB3  LYS  11           HB3      LYS  11  -2.806  -9.186 -17.806
  115    HG2  LYS  11           HG2      LYS  11  -3.110 -11.214 -16.725
  116    HG3  LYS  11           HG3      LYS  11  -1.726 -11.514 -17.778
  117    HD2  LYS  11           HD2      LYS  11  -0.266 -10.928 -15.789
  118    HD3  LYS  11           HD3      LYS  11  -1.733 -11.012 -14.810
  119    HE2  LYS  11           HE2      LYS  11  -1.165 -13.176 -14.578
  120    HE3  LYS  11           HE3      LYS  11  -1.895 -13.346 -16.173
  121    HZ1  LYS  11           HZ1      LYS  11   0.827 -13.667 -15.389
  122    HZ2  LYS  11           HZ2      LYS  11   0.061 -14.131 -16.825
  123    HZ3  LYS  11           HZ3      LYS  11   0.682 -12.565 -16.665
  124    H    LEU  12           H        LEU  12   0.904  -8.015 -19.581
  125    HA   LEU  12           HA       LEU  12   0.964  -6.115 -20.838
  126    HB2  LEU  12           HB2      LEU  12  -1.996  -6.567 -21.136
  127    HB3  LEU  12           HB3      LEU  12  -0.917  -5.742 -22.259
  128    HG   LEU  12           HG       LEU  12  -0.785  -8.689 -21.631
  129   HD11  LEU  12          HD11      LEU  12  -1.899  -7.413 -24.116
  130   HD12  LEU  12          HD12      LEU  12  -1.945  -9.112 -23.646
  131   HD13  LEU  12          HD13      LEU  12  -2.906  -7.926 -22.762
  132   HD21  LEU  12          HD21      LEU  12   0.448  -8.524 -23.928
  133   HD22  LEU  12          HD22      LEU  12   0.703  -6.847 -23.447
  134   HD23  LEU  12          HD23      LEU  12   1.305  -8.157 -22.432
  Start of MODEL   13
    1    H1   PHE   1           H        PHE   1   1.357  -2.403   0.801
    2    HA   PHE   1           HA       PHE   1   2.796  -0.434  -0.821
    3    HB2  PHE   1           HB2      PHE   1   3.877  -2.581   0.118
    4    HB3  PHE   1           HB3      PHE   1   2.976  -3.422  -1.140
    5    HD1  PHE   1           HD1      PHE   1   3.326  -2.640  -3.554
    6    HD2  PHE   1           HD2      PHE   1   5.940  -1.633  -0.349
    7    HE1  PHE   1           HE1      PHE   1   5.109  -2.133  -5.172
    8    HE2  PHE   1           HE2      PHE   1   7.727  -1.124  -1.962
    9    HZ   PHE   1           HZ       PHE   1   7.313  -1.373  -4.377
   10    H    ARG   2           H        ARG   2   2.444  -0.165  -2.997
   11    HA   ARG   2           HA       ARG   2  -0.155  -1.030  -3.958
   12    HB2  ARG   2           HB2      ARG   2   0.355   0.483  -5.880
   13    HB3  ARG   2           HB3      ARG   2   0.391   1.281  -4.313
   14    HG2  ARG   2           HG2      ARG   2   2.673   1.565  -4.356
   15    HG3  ARG   2           HG3      ARG   2   2.924   0.225  -5.477
   16    HD2  ARG   2           HD2      ARG   2   1.333   2.523  -6.456
   17    HD3  ARG   2           HD3      ARG   2   3.059   2.789  -6.219
   18    HE   ARG   2           HE       ARG   2   2.600   0.401  -7.674
   19   HH11  ARG   2          HH11      ARG   2   2.582   3.868  -7.992
   20   HH12  ARG   2          HH12      ARG   2   2.930   3.845  -9.689
   21   HH21  ARG   2          HH21      ARG   2   3.059   0.358  -9.908
   22   HH22  ARG   2          HH22      ARG   2   3.201   1.848 -10.778
   23    H    ILE   3           H        ILE   3   0.903  -3.309  -3.876
   24    HA   ILE   3           HA       ILE   3   2.729  -4.092  -5.870
   25    HB   ILE   3           HB       ILE   3   0.591  -5.785  -4.573
   26   HG12  ILE   3          HG12      ILE   3   3.045  -6.360  -3.402
   27   HG13  ILE   3          HG13      ILE   3   3.050  -4.606  -3.545
   28   HG21  ILE   3          HG21      ILE   3   3.196  -6.595  -5.855
   29   HG22  ILE   3          HG22      ILE   3   1.995  -7.669  -5.140
   30   HG23  ILE   3          HG23      ILE   3   1.605  -6.758  -6.599
   31   HD11  ILE   3          HD11      ILE   3   0.874  -4.552  -2.378
   32   HD12  ILE   3          HD12      ILE   3   0.991  -6.297  -2.152
   33   HD13  ILE   3          HD13      ILE   3   2.179  -5.229  -1.404
   34    H    MET   4           H        MET   4  -0.824  -4.386  -5.765
   35    HA   MET   4           HA       MET   4  -1.250  -5.516  -8.240
   36    HB2  MET   4           HB2      MET   4  -3.000  -3.366  -7.044
   37    HB3  MET   4           HB3      MET   4  -3.488  -4.655  -8.136
   38    HG2  MET   4           HG2      MET   4  -2.317  -5.915  -5.924
   39    HG3  MET   4           HG3      MET   4  -3.355  -4.646  -5.279
   40    HE1  MET   4           HE1      MET   4  -4.075  -8.441  -7.348
   41    HE2  MET   4           HE2      MET   4  -4.555  -7.289  -8.594
   42    HE3  MET   4           HE3      MET   4  -2.946  -7.196  -7.880
   43    H    ARG   5           H        ARG   5  -0.653  -2.138  -7.437
   44    HA   ARG   5           HA       ARG   5  -1.263  -0.996  -9.917
   45    HB2  ARG   5           HB2      ARG   5   0.641  -0.189  -7.727
   46    HB3  ARG   5           HB3      ARG   5   0.431   0.780  -9.179
   47    HG2  ARG   5           HG2      ARG   5  -1.752   0.044  -7.239
   48    HG3  ARG   5           HG3      ARG   5  -0.925   1.601  -7.319
   49    HD2  ARG   5           HD2      ARG   5  -2.681   0.348  -9.422
   50    HD3  ARG   5           HD3      ARG   5  -3.019   1.793  -8.470
   51    HE   ARG   5           HE       ARG   5  -0.694   2.359  -9.792
   52   HH11  ARG   5          HH11      ARG   5  -3.900   1.380 -10.731
   53   HH12  ARG   5          HH12      ARG   5  -3.843   2.196 -12.258
   54   HH21  ARG   5          HH21      ARG   5  -0.607   3.438 -11.799
   55   HH22  ARG   5          HH22      ARG   5  -1.969   3.366 -12.865
   56    H    ILE   6           H        ILE   6   1.618  -2.633  -8.767
   57    HA   ILE   6           HA       ILE   6   3.111  -1.981 -11.171
   58    HB   ILE   6           HB       ILE   6   3.930  -3.884  -8.981
   59   HG12  ILE   6          HG12      ILE   6   4.363  -0.896  -9.182
   60   HG13  ILE   6          HG13      ILE   6   3.412  -1.736  -7.962
   61   HG21  ILE   6          HG21      ILE   6   6.098  -3.702  -9.811
   62   HG22  ILE   6          HG22      ILE   6   5.106  -3.788 -11.267
   63   HG23  ILE   6          HG23      ILE   6   5.730  -2.233 -10.717
   64   HD11  ILE   6          HD11      ILE   6   5.469  -2.844  -7.178
   65   HD12  ILE   6          HD12      ILE   6   6.390  -1.894  -8.345
   66   HD13  ILE   6          HD13      ILE   6   5.527  -1.087  -7.036
   67    H    LEU   7           H        LEU   7   1.448  -4.726  -9.735
   68    HA   LEU   7           HA       LEU   7   2.351  -6.755 -11.416
   69    HB2  LEU   7           HB2      LEU   7  -0.060  -6.304  -9.754
   70    HB3  LEU   7           HB3      LEU   7  -0.144  -7.584 -10.962
   71    HG   LEU   7           HG       LEU   7   1.876  -7.399  -8.727
   72   HD11  LEU   7          HD11      LEU   7  -0.426  -9.310  -9.084
   73   HD12  LEU   7          HD12      LEU   7   0.696  -9.235  -7.726
   74   HD13  LEU   7          HD13      LEU   7  -0.439  -7.914  -8.005
   75   HD21  LEU   7          HD21      LEU   7   3.040  -9.011  -9.723
   76   HD22  LEU   7          HD22      LEU   7   1.587  -9.961 -10.030
   77   HD23  LEU   7          HD23      LEU   7   2.080  -8.711 -11.172
   78    H    ARG   8           H        ARG   8  -0.113  -4.307 -11.908
   79    HA   ARG   8           HA       ARG   8  -1.478  -5.306 -14.083
   80    HB2  ARG   8           HB2      ARG   8  -2.101  -3.071 -14.599
   81    HB3  ARG   8           HB3      ARG   8  -1.919  -3.146 -12.851
   82    HG2  ARG   8           HG2      ARG   8  -0.706  -1.291 -13.103
   83    HG3  ARG   8           HG3      ARG   8   0.576  -2.386 -13.625
   84    HD2  ARG   8           HD2      ARG   8   0.282  -0.533 -15.195
   85    HD3  ARG   8           HD3      ARG   8  -0.091  -2.084 -15.946
   86    HE   ARG   8           HE       ARG   8  -2.488  -1.101 -15.007
   87   HH11  ARG   8          HH11      ARG   8  -0.031  -0.078 -17.251
   88   HH12  ARG   8          HH12      ARG   8  -1.133   0.802 -18.258
   89   HH21  ARG   8          HH21      ARG   8  -3.949   0.053 -16.325
   90   HH22  ARG   8          HH22      ARG   8  -3.361   0.876 -17.730
   91    H    VAL   9           H        VAL   9   1.772  -4.092 -13.918
   92    HA   VAL   9           HA       VAL   9   2.244  -3.481 -16.600
   93    HB   VAL   9           HB       VAL   9   4.178  -4.654 -14.597
   94   HG11  VAL   9          HG11      VAL   9   5.876  -3.480 -16.047
   95   HG12  VAL   9          HG12      VAL   9   5.131  -4.915 -16.751
   96   HG13  VAL   9          HG13      VAL   9   4.603  -3.309 -17.256
   97   HG21  VAL   9          HG21      VAL   9   3.046  -2.535 -13.915
   98   HG22  VAL   9          HG22      VAL   9   4.797  -2.399 -14.080
   99   HG23  VAL   9          HG23      VAL   9   3.741  -1.766 -15.342
  100    H    LEU  10           H        LEU  10   2.424  -6.568 -14.884
  101    HA   LEU  10           HA       LEU  10   3.048  -7.936 -17.398
  102    HB2  LEU  10           HB2      LEU  10   2.954  -9.022 -14.588
  103    HB3  LEU  10           HB3      LEU  10   3.508  -9.887 -16.020
  104    HG   LEU  10           HG       LEU  10   4.935  -7.378 -15.456
  105   HD11  LEU  10          HD11      LEU  10   5.570  -9.723 -13.708
  106   HD12  LEU  10          HD12      LEU  10   6.083  -8.043 -13.553
  107   HD13  LEU  10          HD13      LEU  10   4.417  -8.494 -13.188
  108   HD21  LEU  10          HD21      LEU  10   6.705  -8.488 -16.390
  109   HD22  LEU  10          HD22      LEU  10   6.192 -10.058 -15.772
  110   HD23  LEU  10          HD23      LEU  10   5.364  -9.342 -17.155
  111    H    LYS  11           H        LYS  11   0.435  -6.796 -16.953
  112    HA   LYS  11           HA       LYS  11  -1.512  -8.560 -16.087
  113    HB2  LYS  11           HB2      LYS  11  -3.006  -7.392 -17.760
  114    HB3  LYS  11           HB3      LYS  11  -2.158  -6.341 -16.634
  115    HG2  LYS  11           HG2      LYS  11  -1.781  -5.196 -18.553
  116    HG3  LYS  11           HG3      LYS  11  -0.387  -6.277 -18.601
  117    HD2  LYS  11           HD2      LYS  11  -1.207  -7.472 -20.346
  118    HD3  LYS  11           HD3      LYS  11  -2.882  -7.291 -19.822
  119    HE2  LYS  11           HE2      LYS  11  -1.489  -4.846 -20.744
  120    HE3  LYS  11           HE3      LYS  11  -1.883  -6.050 -21.971
  121    HZ1  LYS  11           HZ1      LYS  11  -4.049  -5.579 -21.839
  122    HZ2  LYS  11           HZ2      LYS  11  -4.042  -5.474 -20.151
  123    HZ3  LYS  11           HZ3      LYS  11  -3.566  -4.145 -21.083
  124    H    LEU  12           H        LEU  12   0.377  -8.612 -19.008
  125    HA   LEU  12           HA       LEU  12  -0.678 -11.244 -19.638
  126    HB2  LEU  12           HB2      LEU  12  -0.789  -8.942 -21.580
  127    HB3  LEU  12           HB3      LEU  12  -1.014 -10.632 -22.026
  128    HG   LEU  12           HG       LEU  12  -2.788  -9.265 -20.021
  129   HD11  LEU  12          HD11      LEU  12  -3.504  -7.952 -21.680
  130   HD12  LEU  12          HD12      LEU  12  -2.674  -8.899 -22.915
  131   HD13  LEU  12          HD13      LEU  12  -4.255  -9.413 -22.323
  132   HD21  LEU  12          HD21      LEU  12  -3.840 -11.358 -21.763
  133   HD22  LEU  12          HD22      LEU  12  -2.517 -11.897 -20.729
  134   HD23  LEU  12          HD23      LEU  12  -3.956 -11.171 -20.013
  Start of MODEL   14
    1    H1   PHE   1           H        PHE   1   0.115  -1.030   0.346
    2    HA   PHE   1           HA       PHE   1   2.517  -0.203  -0.750
    3    HB2  PHE   1           HB2      PHE   1   3.272  -2.363   0.438
    4    HB3  PHE   1           HB3      PHE   1   2.405  -3.209  -0.839
    5    HD1  PHE   1           HD1      PHE   1   3.044  -2.605  -3.265
    6    HD2  PHE   1           HD2      PHE   1   5.471  -1.726   0.120
    7    HE1  PHE   1           HE1      PHE   1   5.012  -2.411  -4.730
    8    HE2  PHE   1           HE2      PHE   1   7.441  -1.530  -1.339
    9    HZ   PHE   1           HZ       PHE   1   7.214  -1.872  -3.767
   10    H    ARG   2           H        ARG   2   2.387  -0.050  -2.957
   11    HA   ARG   2           HA       ARG   2  -0.180  -0.745  -4.118
   12    HB2  ARG   2           HB2      ARG   2   0.651   0.576  -6.069
   13    HB3  ARG   2           HB3      ARG   2   0.616   1.476  -4.559
   14    HG2  ARG   2           HG2      ARG   2   2.891   1.607  -4.419
   15    HG3  ARG   2           HG3      ARG   2   3.142   0.117  -5.332
   16    HD2  ARG   2           HD2      ARG   2   1.827   2.105  -6.952
   17    HD3  ARG   2           HD3      ARG   2   3.326   2.742  -6.276
   18    HE   ARG   2           HE       ARG   2   3.641   0.134  -7.414
   19   HH11  ARG   2          HH11      ARG   2   3.516   3.540  -8.127
   20   HH12  ARG   2          HH12      ARG   2   4.461   3.405  -9.572
   21   HH21  ARG   2          HH21      ARG   2   4.886  -0.056  -9.315
   22   HH22  ARG   2          HH22      ARG   2   5.240   1.359 -10.248
   23    H    ILE   3           H        ILE   3   0.574  -3.099  -3.828
   24    HA   ILE   3           HA       ILE   3   2.516  -4.175  -5.582
   25    HB   ILE   3           HB       ILE   3   0.140  -5.596  -4.377
   26   HG12  ILE   3          HG12      ILE   3   2.421  -6.252  -2.928
   27   HG13  ILE   3          HG13      ILE   3   2.570  -4.517  -3.188
   28   HG21  ILE   3          HG21      ILE   3   2.790  -6.714  -5.275
   29   HG22  ILE   3          HG22      ILE   3   1.387  -7.616  -4.701
   30   HG23  ILE   3          HG23      ILE   3   1.314  -6.758  -6.240
   31   HD11  ILE   3          HD11      ILE   3   0.311  -4.223  -2.247
   32   HD12  ILE   3          HD12      ILE   3   0.259  -5.952  -1.908
   33   HD13  ILE   3          HD13      ILE   3   1.453  -4.933  -1.106
   34    H    MET   4           H        MET   4  -1.041  -4.081  -5.768
   35    HA   MET   4           HA       MET   4  -1.433  -5.394  -8.147
   36    HB2  MET   4           HB2      MET   4  -2.931  -2.900  -7.339
   37    HB3  MET   4           HB3      MET   4  -3.519  -4.216  -8.346
   38    HG2  MET   4           HG2      MET   4  -2.733  -5.388  -5.926
   39    HG3  MET   4           HG3      MET   4  -3.610  -3.920  -5.501
   40    HE1  MET   4           HE1      MET   4  -4.920  -6.674  -8.665
   41    HE2  MET   4           HE2      MET   4  -3.396  -6.780  -7.783
   42    HE3  MET   4           HE3      MET   4  -4.773  -7.764  -7.287
   43    H    ARG   5           H        ARG   5  -0.511  -2.016  -7.657
   44    HA   ARG   5           HA       ARG   5  -0.716  -1.114 -10.282
   45    HB2  ARG   5           HB2      ARG   5   0.643  -0.253  -7.836
   46    HB3  ARG   5           HB3      ARG   5   1.480   0.233  -9.304
   47    HG2  ARG   5           HG2      ARG   5   0.099   1.959  -9.420
   48    HG3  ARG   5           HG3      ARG   5  -1.198   0.818  -9.783
   49    HD2  ARG   5           HD2      ARG   5  -0.394   1.916  -7.098
   50    HD3  ARG   5           HD3      ARG   5  -1.921   2.149  -7.948
   51    HE   ARG   5           HE       ARG   5  -1.768  -0.543  -7.608
   52   HH11  ARG   5          HH11      ARG   5  -1.554   2.193  -5.466
   53   HH12  ARG   5          HH12      ARG   5  -2.206   1.343  -4.104
   54   HH21  ARG   5          HH21      ARG   5  -2.627  -1.673  -5.823
   55   HH22  ARG   5          HH22      ARG   5  -2.815  -0.856  -4.308
   56    H    ILE   6           H        ILE   6   1.816  -2.961  -8.701
   57    HA   ILE   6           HA       ILE   6   3.652  -2.745 -10.905
   58    HB   ILE   6           HB       ILE   6   3.741  -4.733  -8.637
   59   HG12  ILE   6          HG12      ILE   6   4.883  -1.935  -8.789
   60   HG13  ILE   6          HG13      ILE   6   3.589  -2.472  -7.725
   61   HG21  ILE   6          HG21      ILE   6   5.196  -4.934 -10.775
   62   HG22  ILE   6          HG22      ILE   6   6.100  -3.591 -10.075
   63   HG23  ILE   6          HG23      ILE   6   5.954  -5.111  -9.193
   64   HD11  ILE   6          HD11      ILE   6   5.743  -2.263  -6.576
   65   HD12  ILE   6          HD12      ILE   6   5.118  -3.912  -6.539
   66   HD13  ILE   6          HD13      ILE   6   6.419  -3.488  -7.651
   67    H    LEU   7           H        LEU   7   1.273  -5.071  -9.773
   68    HA   LEU   7           HA       LEU   7   1.987  -7.242 -11.394
   69    HB2  LEU   7           HB2      LEU   7  -0.817  -6.512 -10.584
   70    HB3  LEU   7           HB3      LEU   7  -0.188  -8.116 -10.954
   71    HG   LEU   7           HG       LEU   7   0.220  -6.456  -8.489
   72   HD11  LEU   7          HD11      LEU   7  -1.111  -8.975  -9.227
   73   HD12  LEU   7          HD12      LEU   7  -0.215  -8.999  -7.708
   74   HD13  LEU   7          HD13      LEU   7  -1.495  -7.812  -7.958
   75   HD21  LEU   7          HD21      LEU   7   2.438  -7.163  -9.135
   76   HD22  LEU   7          HD22      LEU   7   1.886  -8.125  -7.764
   77   HD23  LEU   7          HD23      LEU   7   1.872  -8.814  -9.387
   78    H    ARG   8           H        ARG   8  -0.146  -4.487 -12.004
   79    HA   ARG   8           HA       ARG   8  -1.270  -5.255 -14.408
   80    HB2  ARG   8           HB2      ARG   8  -1.984  -3.099 -14.595
   81    HB3  ARG   8           HB3      ARG   8  -1.464  -3.051 -12.916
   82    HG2  ARG   8           HG2      ARG   8   0.709  -2.136 -13.656
   83    HG3  ARG   8           HG3      ARG   8   0.093  -2.097 -15.309
   84    HD2  ARG   8           HD2      ARG   8  -0.815  -0.111 -14.911
   85    HD3  ARG   8           HD3      ARG   8  -1.825  -0.833 -13.659
   86    HE   ARG   8           HE       ARG   8   0.497  -0.435 -12.366
   87   HH11  ARG   8          HH11      ARG   8  -1.463   1.640 -14.359
   88   HH12  ARG   8          HH12      ARG   8  -1.000   3.090 -13.532
   89   HH21  ARG   8          HH21      ARG   8   1.115   1.467 -11.269
   90   HH22  ARG   8          HH22      ARG   8   0.467   2.991 -11.775
   91    H    VAL   9           H        VAL   9   1.979  -4.245 -13.724
   92    HA   VAL   9           HA       VAL   9   2.839  -3.443 -16.252
   93    HB   VAL   9           HB       VAL   9   4.419  -4.915 -14.138
   94   HG11  VAL   9          HG11      VAL   9   6.325  -3.608 -15.284
   95   HG12  VAL   9          HG12      VAL   9   5.726  -5.077 -16.056
   96   HG13  VAL   9          HG13      VAL   9   5.219  -3.496 -16.653
   97   HG21  VAL   9          HG21      VAL   9   4.286  -3.046 -12.946
   98   HG22  VAL   9          HG22      VAL   9   5.073  -2.172 -14.260
   99   HG23  VAL   9          HG23      VAL   9   3.314  -2.283 -14.204
  100    H    LEU  10           H        LEU  10   2.410  -6.654 -14.894
  101    HA   LEU  10           HA       LEU  10   3.785  -8.123 -16.851
  102    HB2  LEU  10           HB2      LEU  10   1.367  -8.947 -15.250
  103    HB3  LEU  10           HB3      LEU  10   2.470 -10.032 -16.093
  104    HG   LEU  10           HG       LEU  10   3.074  -8.348 -13.666
  105   HD11  LEU  10          HD11      LEU  10   3.107 -11.338 -14.030
  106   HD12  LEU  10          HD12      LEU  10   3.342 -10.438 -12.532
  107   HD13  LEU  10          HD13      LEU  10   1.766 -10.435 -13.324
  108   HD21  LEU  10          HD21      LEU  10   4.877 -10.008 -15.414
  109   HD22  LEU  10          HD22      LEU  10   5.042  -8.305 -14.987
  110   HD23  LEU  10          HD23      LEU  10   5.287  -9.548 -13.761
  111    H    LYS  11           H        LYS  11   0.539  -6.802 -16.762
  112    HA   LYS  11           HA       LYS  11  -1.098  -6.624 -18.332
  113    HB2  LYS  11           HB2      LYS  11   1.181  -7.100 -20.262
  114    HB3  LYS  11           HB3      LYS  11  -0.393  -6.432 -20.673
  115    HG2  LYS  11           HG2      LYS  11   1.522  -5.148 -18.741
  116    HG3  LYS  11           HG3      LYS  11   1.426  -4.748 -20.457
  117    HD2  LYS  11           HD2      LYS  11  -0.861  -4.536 -18.500
  118    HD3  LYS  11           HD3      LYS  11   0.147  -3.186 -19.026
  119    HE2  LYS  11           HE2      LYS  11  -1.687  -4.875 -20.718
  120    HE3  LYS  11           HE3      LYS  11  -1.871  -3.168 -20.316
  121    HZ1  LYS  11           HZ1      LYS  11   0.267  -2.795 -21.521
  122    HZ2  LYS  11           HZ2      LYS  11   0.186  -4.396 -22.062
  123    HZ3  LYS  11           HZ3      LYS  11  -1.018  -3.292 -22.504
  124    H    LEU  12           H        LEU  12  -1.319  -8.957 -17.194
  125    HA   LEU  12           HA       LEU  12  -1.988 -11.127 -17.386
  126    HB2  LEU  12           HB2      LEU  12  -3.307  -9.577 -19.324
  127    HB3  LEU  12           HB3      LEU  12  -2.871 -11.089 -20.117
  128    HG   LEU  12           HG       LEU  12  -4.375 -10.985 -17.510
  129   HD11  LEU  12          HD11      LEU  12  -5.612  -9.792 -19.296
  130   HD12  LEU  12          HD12      LEU  12  -5.540 -11.256 -20.276
  131   HD13  LEU  12          HD13      LEU  12  -6.416 -11.262 -18.745
  132   HD21  LEU  12          HD21      LEU  12  -3.435 -13.112 -17.808
  133   HD22  LEU  12          HD22      LEU  12  -5.090 -13.270 -18.396
  134   HD23  LEU  12          HD23      LEU  12  -3.759 -13.110 -19.541
  Start of MODEL   15
    1    H1   PHE   1           H        PHE   1   2.356   1.853  -0.268
    2    HA   PHE   1           HA       PHE   1   2.836   1.453  -2.504
    3    HB2  PHE   1           HB2      PHE   1   4.372   0.089  -0.915
    4    HB3  PHE   1           HB3      PHE   1   3.480  -1.308  -1.509
    5    HD1  PHE   1           HD1      PHE   1   3.396  -1.645  -4.052
    6    HD2  PHE   1           HD2      PHE   1   6.185   0.910  -2.100
    7    HE1  PHE   1           HE1      PHE   1   4.863  -1.745  -6.025
    8    HE2  PHE   1           HE2      PHE   1   7.656   0.815  -4.070
    9    HZ   PHE   1           HZ       PHE   1   6.996  -0.512  -6.036
   10    H    ARG   2           H        ARG   2   1.799   0.968  -4.327
   11    HA   ARG   2           HA       ARG   2  -0.520  -0.763  -4.208
   12    HB2  ARG   2           HB2      ARG   2   0.405   0.517  -6.743
   13    HB3  ARG   2           HB3      ARG   2  -1.231   0.253  -6.157
   14    HG2  ARG   2           HG2      ARG   2  -0.870   2.023  -4.468
   15    HG3  ARG   2           HG3      ARG   2   0.717   2.327  -5.178
   16    HD2  ARG   2           HD2      ARG   2  -0.943   3.911  -6.011
   17    HD3  ARG   2           HD3      ARG   2  -0.334   2.884  -7.308
   18    HE   ARG   2           HE       ARG   2  -2.598   1.631  -6.399
   19   HH11  ARG   2          HH11      ARG   2  -1.825   4.764  -7.705
   20   HH12  ARG   2          HH12      ARG   2  -3.384   4.993  -8.425
   21   HH21  ARG   2          HH21      ARG   2  -4.655   1.921  -7.342
   22   HH22  ARG   2          HH22      ARG   2  -4.993   3.376  -8.218
   23    H    ILE   3           H        ILE   3   1.192  -2.556  -3.770
   24    HA   ILE   3           HA       ILE   3   2.870  -3.612  -5.666
   25    HB   ILE   3           HB       ILE   3   1.074  -5.267  -3.893
   26   HG12  ILE   3          HG12      ILE   3   3.499  -5.087  -2.619
   27   HG13  ILE   3          HG13      ILE   3   3.313  -3.466  -3.279
   28   HG21  ILE   3          HG21      ILE   3   2.581  -6.252  -5.801
   29   HG22  ILE   3          HG22      ILE   3   3.870  -5.990  -4.626
   30   HG23  ILE   3          HG23      ILE   3   2.505  -7.031  -4.220
   31   HD11  ILE   3          HD11      ILE   3   2.084  -3.000  -1.500
   32   HD12  ILE   3          HD12      ILE   3   0.840  -4.057  -2.169
   33   HD13  ILE   3          HD13      ILE   3   2.018  -4.696  -1.021
   34    H    MET   4           H        MET   4  -0.615  -4.229  -5.319
   35    HA   MET   4           HA       MET   4  -0.943  -6.079  -7.350
   36    HB2  MET   4           HB2      MET   4  -2.898  -3.883  -6.655
   37    HB3  MET   4           HB3      MET   4  -3.272  -5.432  -7.400
   38    HG2  MET   4           HG2      MET   4  -1.896  -5.869  -4.934
   39    HG3  MET   4           HG3      MET   4  -3.253  -4.776  -4.671
   40    HE1  MET   4           HE1      MET   4  -3.065  -9.043  -5.983
   41    HE2  MET   4           HE2      MET   4  -3.596  -8.119  -7.388
   42    HE3  MET   4           HE3      MET   4  -2.086  -7.703  -6.579
   43    H    ARG   5           H        ARG   5  -0.664  -2.581  -7.537
   44    HA   ARG   5           HA       ARG   5  -1.464  -2.264 -10.216
   45    HB2  ARG   5           HB2      ARG   5  -0.465  -0.617  -8.140
   46    HB3  ARG   5           HB3      ARG   5   0.570  -0.362  -9.539
   47    HG2  ARG   5           HG2      ARG   5  -2.433  -0.163  -9.591
   48    HG3  ARG   5           HG3      ARG   5  -1.340   1.209  -9.394
   49    HD2  ARG   5           HD2      ARG   5  -0.724   1.199 -11.568
   50    HD3  ARG   5           HD3      ARG   5  -0.781  -0.560 -11.684
   51    HE   ARG   5           HE       ARG   5  -3.383   0.090 -11.515
   52   HH11  ARG   5          HH11      ARG   5  -0.793   1.282 -13.512
   53   HH12  ARG   5          HH12      ARG   5  -1.827   1.676 -14.845
   54   HH21  ARG   5          HH21      ARG   5  -4.755   0.604 -13.263
   55   HH22  ARG   5          HH22      ARG   5  -4.081   1.291 -14.702
   56    H    ILE   6           H        ILE   6   1.507  -3.340  -8.776
   57    HA   ILE   6           HA       ILE   6   3.057  -3.021 -11.194
   58    HB   ILE   6           HB       ILE   6   3.888  -4.684  -8.835
   59   HG12  ILE   6          HG12      ILE   6   3.098  -2.583  -7.900
   60   HG13  ILE   6          HG13      ILE   6   4.857  -2.625  -7.850
   61   HG21  ILE   6          HG21      ILE   6   5.561  -2.905 -10.584
   62   HG22  ILE   6          HG22      ILE   6   6.086  -4.217  -9.529
   63   HG23  ILE   6          HG23      ILE   6   5.198  -4.577 -11.009
   64   HD11  ILE   6          HD11      ILE   6   3.221  -1.195  -9.931
   65   HD12  ILE   6          HD12      ILE   6   3.972  -0.441  -8.524
   66   HD13  ILE   6          HD13      ILE   6   4.978  -1.174  -9.773
   67    H    LEU   7           H        LEU   7   1.495  -5.649  -9.427
   68    HA   LEU   7           HA       LEU   7   2.491  -7.794 -10.926
   69    HB2  LEU   7           HB2      LEU   7  -0.270  -7.691  -9.747
   70    HB3  LEU   7           HB3      LEU   7   0.765  -9.099  -9.979
   71    HG   LEU   7           HG       LEU   7   0.976  -6.947  -7.890
   72   HD11  LEU   7          HD11      LEU   7   1.319  -9.636  -6.988
   73   HD12  LEU   7          HD12      LEU   7   0.061  -8.472  -6.570
   74   HD13  LEU   7          HD13      LEU   7  -0.144  -9.529  -7.967
   75   HD21  LEU   7          HD21      LEU   7   3.044  -9.017  -8.626
   76   HD22  LEU   7          HD22      LEU   7   3.210  -7.267  -8.777
   77   HD23  LEU   7          HD23      LEU   7   3.079  -8.006  -7.181
   78    H    ARG   8           H        ARG   8  -0.388  -5.782 -11.390
   79    HA   ARG   8           HA       ARG   8  -1.564  -7.141 -13.499
   80    HB2  ARG   8           HB2      ARG   8  -2.747  -5.135 -13.989
   81    HB3  ARG   8           HB3      ARG   8  -2.496  -5.158 -12.248
   82    HG2  ARG   8           HG2      ARG   8  -1.725  -3.088 -12.466
   83    HG3  ARG   8           HG3      ARG   8  -0.288  -3.806 -13.197
   84    HD2  ARG   8           HD2      ARG   8  -1.180  -2.042 -14.612
   85    HD3  ARG   8           HD3      ARG   8  -1.319  -3.608 -15.408
   86    HE   ARG   8           HE       ARG   8  -3.719  -3.253 -14.150
   87   HH11  ARG   8          HH11      ARG   8  -1.853  -1.455 -16.474
   88   HH12  ARG   8          HH12      ARG   8  -3.240  -0.756 -17.242
   89   HH21  ARG   8          HH21      ARG   8  -5.553  -2.339 -15.152
   90   HH22  ARG   8          HH22      ARG   8  -5.344  -1.258 -16.488
   91    H    VAL   9           H        VAL   9   1.306  -5.208 -13.442
   92    HA   VAL   9           HA       VAL   9   1.517  -4.462 -16.122
   93    HB   VAL   9           HB       VAL   9   3.778  -5.236 -14.273
   94   HG11  VAL   9          HG11      VAL   9   4.782  -5.078 -16.342
   95   HG12  VAL   9          HG12      VAL   9   3.650  -3.854 -16.917
   96   HG13  VAL   9          HG13      VAL   9   4.911  -3.417 -15.763
   97   HG21  VAL   9          HG21      VAL   9   1.905  -3.179 -13.988
   98   HG22  VAL   9          HG22      VAL   9   3.434  -3.361 -13.127
   99   HG23  VAL   9          HG23      VAL   9   3.364  -2.407 -14.609
  100    H    LEU  10           H        LEU  10   2.447  -7.464 -14.500
  101    HA   LEU  10           HA       LEU  10   3.852  -8.719 -16.513
  102    HB2  LEU  10           HB2      LEU  10   1.936  -9.870 -14.496
  103    HB3  LEU  10           HB3      LEU  10   2.966 -10.856 -15.533
  104    HG   LEU  10           HG       LEU  10   4.310  -8.797 -13.879
  105   HD11  LEU  10          HD11      LEU  10   2.452 -10.085 -12.529
  106   HD12  LEU  10          HD12      LEU  10   3.656 -11.374 -12.548
  107   HD13  LEU  10          HD13      LEU  10   4.054  -9.806 -11.847
  108   HD21  LEU  10          HD21      LEU  10   6.026  -9.977 -14.648
  109   HD22  LEU  10          HD22      LEU  10   5.486 -11.328 -13.652
  110   HD23  LEU  10          HD23      LEU  10   4.948 -11.197 -15.326
  111    H    LYS  11           H        LYS  11   0.400  -8.240 -16.203
  112    HA   LYS  11           HA       LYS  11  -0.078  -9.824 -18.623
  113    HB2  LYS  11           HB2      LYS  11  -2.170  -8.544 -16.870
  114    HB3  LYS  11           HB3      LYS  11  -2.382  -9.848 -18.031
  115    HG2  LYS  11           HG2      LYS  11  -0.816 -10.041 -15.466
  116    HG3  LYS  11           HG3      LYS  11  -2.458 -10.638 -15.715
  117    HD2  LYS  11           HD2      LYS  11  -1.328 -11.906 -17.731
  118    HD3  LYS  11           HD3      LYS  11   0.129 -11.685 -16.759
  119    HE2  LYS  11           HE2      LYS  11  -2.312 -12.719 -15.415
  120    HE3  LYS  11           HE3      LYS  11  -1.432 -13.808 -16.486
  121    HZ1  LYS  11           HZ1      LYS  11  -0.593 -14.073 -14.288
  122    HZ2  LYS  11           HZ2      LYS  11   0.595 -13.271 -15.188
  123    HZ3  LYS  11           HZ3      LYS  11  -0.367 -12.408 -14.096
  124    H    LEU  12           H        LEU  12   1.301  -7.537 -19.139
  125    HA   LEU  12           HA       LEU  12   1.304  -5.592 -20.328
  126    HB2  LEU  12           HB2      LEU  12  -1.276  -6.639 -21.472
  127    HB3  LEU  12           HB3      LEU  12  -0.138  -5.529 -22.234
  128    HG   LEU  12           HG       LEU  12   0.817  -8.257 -21.521
  129   HD11  LEU  12          HD11      LEU  12  -0.295  -9.374 -23.142
  130   HD12  LEU  12          HD12      LEU  12  -1.530  -8.163 -22.797
  131   HD13  LEU  12          HD13      LEU  12  -0.449  -7.952 -24.174
  132   HD21  LEU  12          HD21      LEU  12   1.951  -6.111 -22.743
  133   HD22  LEU  12          HD22      LEU  12   2.472  -7.782 -22.961
  134   HD23  LEU  12          HD23      LEU  12   1.381  -7.039 -24.130
  Start of MODEL   16
    1    H1   PHE   1           H        PHE   1   1.864  -0.650   1.269
    2    HA   PHE   1           HA       PHE   1   2.680  -0.012  -0.834
    3    HB2  PHE   1           HB2      PHE   1   4.012  -1.913   0.180
    4    HB3  PHE   1           HB3      PHE   1   3.130  -2.997  -0.891
    5    HD1  PHE   1           HD1      PHE   1   3.220  -2.428  -3.419
    6    HD2  PHE   1           HD2      PHE   1   5.981  -0.950  -0.536
    7    HE1  PHE   1           HE1      PHE   1   4.848  -1.986  -5.210
    8    HE2  PHE   1           HE2      PHE   1   7.613  -0.504  -2.323
    9    HZ   PHE   1           HZ       PHE   1   7.048  -1.021  -4.663
   10    H    ARG   2           H        ARG   2   2.227   0.231  -2.965
   11    HA   ARG   2           HA       ARG   2  -0.238  -0.898  -3.929
   12    HB2  ARG   2           HB2      ARG   2   0.291   0.478  -5.979
   13    HB3  ARG   2           HB3      ARG   2   0.147   1.383  -4.478
   14    HG2  ARG   2           HG2      ARG   2   2.513   1.614  -4.302
   15    HG3  ARG   2           HG3      ARG   2   2.774   0.500  -5.645
   16    HD2  ARG   2           HD2      ARG   2   1.042   2.757  -6.309
   17    HD3  ARG   2           HD3      ARG   2   2.670   3.234  -5.830
   18    HE   ARG   2           HE       ARG   2   1.901   1.830  -8.228
   19   HH11  ARG   2          HH11      ARG   2   4.492   2.586  -6.028
   20   HH12  ARG   2          HH12      ARG   2   5.741   2.295  -7.194
   21   HH21  ARG   2          HH21      ARG   2   3.536   1.445  -9.771
   22   HH22  ARG   2          HH22      ARG   2   5.196   1.647  -9.323
   23    H    ILE   3           H        ILE   3   0.745  -3.136  -3.755
   24    HA   ILE   3           HA       ILE   3   2.705  -3.989  -5.609
   25    HB   ILE   3           HB       ILE   3   0.545  -5.665  -4.327
   26   HG12  ILE   3          HG12      ILE   3   2.893  -6.108  -2.944
   27   HG13  ILE   3          HG13      ILE   3   2.933  -4.372  -3.234
   28   HG21  ILE   3          HG21      ILE   3   1.761  -6.681  -6.244
   29   HG22  ILE   3          HG22      ILE   3   3.263  -6.477  -5.343
   30   HG23  ILE   3          HG23      ILE   3   1.997  -7.534  -4.718
   31   HD11  ILE   3          HD11      ILE   3   0.473  -4.484  -2.352
   32   HD12  ILE   3          HD12      ILE   3   1.036  -5.982  -1.612
   33   HD13  ILE   3          HD13      ILE   3   1.838  -4.457  -1.235
   34    H    MET   4           H        MET   4  -0.847  -4.221  -5.641
   35    HA   MET   4           HA       MET   4  -1.205  -5.555  -8.024
   36    HB2  MET   4           HB2      MET   4  -2.922  -3.257  -7.080
   37    HB3  MET   4           HB3      MET   4  -3.413  -4.594  -8.111
   38    HG2  MET   4           HG2      MET   4  -2.379  -5.702  -5.727
   39    HG3  MET   4           HG3      MET   4  -3.478  -4.400  -5.277
   40    HE1  MET   4           HE1      MET   4  -2.911  -6.969  -7.841
   41    HE2  MET   4           HE2      MET   4  -3.940  -8.279  -7.262
   42    HE3  MET   4           HE3      MET   4  -4.518  -7.198  -8.530
   43    H    ARG   5           H        ARG   5  -0.464  -2.160  -7.492
   44    HA   ARG   5           HA       ARG   5  -0.958  -1.182 -10.061
   45    HB2  ARG   5           HB2      ARG   5   0.686  -0.332  -7.745
   46    HB3  ARG   5           HB3      ARG   5   1.108   0.369  -9.302
   47    HG2  ARG   5           HG2      ARG   5  -0.393   1.873  -8.306
   48    HG3  ARG   5           HG3      ARG   5  -1.329   1.005  -9.525
   49    HD2  ARG   5           HD2      ARG   5  -1.636  -0.553  -7.280
   50    HD3  ARG   5           HD3      ARG   5  -1.638   1.085  -6.627
   51    HE   ARG   5           HE       ARG   5  -3.669  -0.137  -8.252
   52   HH11  ARG   5          HH11      ARG   5  -2.241   2.871  -7.236
   53   HH12  ARG   5          HH12      ARG   5  -3.667   3.804  -7.550
   54   HH21  ARG   5          HH21      ARG   5  -5.552   1.081  -8.670
   55   HH22  ARG   5          HH22      ARG   5  -5.549   2.785  -8.365
   56    H    ILE   6           H        ILE   6   1.755  -2.970  -8.766
   57    HA   ILE   6           HA       ILE   6   3.381  -2.556 -11.125
   58    HB   ILE   6           HB       ILE   6   3.885  -4.520  -8.893
   59   HG12  ILE   6          HG12      ILE   6   4.681  -1.608  -9.090
   60   HG13  ILE   6          HG13      ILE   6   3.575  -2.310  -7.914
   61   HG21  ILE   6          HG21      ILE   6   5.148  -4.416 -11.217
   62   HG22  ILE   6          HG22      ILE   6   6.029  -3.124 -10.400
   63   HG23  ILE   6          HG23      ILE   6   6.002  -4.747  -9.709
   64   HD11  ILE   6          HD11      ILE   6   5.782  -1.866  -6.967
   65   HD12  ILE   6          HD12      ILE   6   5.386  -3.584  -6.939
   66   HD13  ILE   6          HD13      ILE   6   6.503  -2.956  -8.150
   67    H    LEU   7           H        LEU   7   1.341  -5.066  -9.750
   68    HA   LEU   7           HA       LEU   7   2.077  -7.195 -11.409
   69    HB2  LEU   7           HB2      LEU   7  -0.696  -6.671 -10.363
   70    HB3  LEU   7           HB3      LEU   7   0.019  -8.227 -10.778
   71    HG   LEU   7           HG       LEU   7   0.510  -6.511  -8.367
   72   HD11  LEU   7          HD11      LEU   7  -0.436  -9.297  -8.913
   73   HD12  LEU   7          HD12      LEU   7   0.261  -8.872  -7.350
   74   HD13  LEU   7          HD13      LEU   7  -1.179  -8.035  -7.929
   75   HD21  LEU   7          HD21      LEU   7   2.714  -7.045  -9.203
   76   HD22  LEU   7          HD22      LEU   7   2.364  -8.033  -7.785
   77   HD23  LEU   7          HD23      LEU   7   2.263  -8.739  -9.398
   78    H    ARG   8           H        ARG   8  -0.402  -4.694 -11.837
   79    HA   ARG   8           HA       ARG   8  -1.558  -5.619 -14.185
   80    HB2  ARG   8           HB2      ARG   8  -2.445  -3.450 -14.474
   81    HB3  ARG   8           HB3      ARG   8  -2.287  -3.661 -12.736
   82    HG2  ARG   8           HG2      ARG   8   0.084  -2.528 -13.262
   83    HG3  ARG   8           HG3      ARG   8  -0.881  -1.823 -14.560
   84    HD2  ARG   8           HD2      ARG   8  -1.846  -1.827 -11.721
   85    HD3  ARG   8           HD3      ARG   8  -0.752  -0.577 -12.313
   86    HE   ARG   8           HE       ARG   8  -3.548  -0.885 -12.943
   87   HH11  ARG   8          HH11      ARG   8  -0.504   0.493 -13.919
   88   HH12  ARG   8          HH12      ARG   8  -1.227   1.741 -14.878
   89   HH21  ARG   8          HH21      ARG   8  -4.513   0.755 -14.202
   90   HH22  ARG   8          HH22      ARG   8  -3.508   1.890 -15.037
   91    H    VAL   9           H        VAL   9   1.525  -4.133 -13.659
   92    HA   VAL   9           HA       VAL   9   2.084  -3.124 -16.200
   93    HB   VAL   9           HB       VAL   9   4.056  -4.423 -14.317
   94   HG11  VAL   9          HG11      VAL   9   5.498  -2.545 -15.447
   95   HG12  VAL   9          HG12      VAL   9   5.270  -4.104 -16.239
   96   HG13  VAL   9          HG13      VAL   9   4.313  -2.711 -16.742
   97   HG21  VAL   9          HG21      VAL   9   4.407  -2.170 -13.418
   98   HG22  VAL   9          HG22      VAL   9   3.111  -1.561 -14.447
   99   HG23  VAL   9          HG23      VAL   9   2.749  -2.718 -13.166
  100    H    LEU  10           H        LEU  10   2.149  -6.400 -14.975
  101    HA   LEU  10           HA       LEU  10   3.081  -7.343 -17.604
  102    HB2  LEU  10           HB2      LEU  10   3.093  -8.838 -14.988
  103    HB3  LEU  10           HB3      LEU  10   3.788  -9.379 -16.515
  104    HG   LEU  10           HG       LEU  10   4.830  -6.842 -15.395
  105   HD11  LEU  10          HD11      LEU  10   4.578  -9.005 -13.685
  106   HD12  LEU  10          HD12      LEU  10   6.232  -9.120 -14.287
  107   HD13  LEU  10          HD13      LEU  10   5.680  -7.640 -13.502
  108   HD21  LEU  10          HD21      LEU  10   6.964  -7.933 -16.177
  109   HD22  LEU  10          HD22      LEU  10   5.966  -9.238 -16.819
  110   HD23  LEU  10          HD23      LEU  10   5.773  -7.596 -17.433
  111    H    LYS  11           H        LYS  11   0.399  -6.551 -17.198
  112    HA   LYS  11           HA       LYS  11  -1.427  -8.484 -16.500
  113    HB2  LYS  11           HB2      LYS  11  -1.422  -6.201 -18.388
  114    HB3  LYS  11           HB3      LYS  11  -2.689  -7.398 -18.624
  115    HG2  LYS  11           HG2      LYS  11  -2.133  -5.906 -16.068
  116    HG3  LYS  11           HG3      LYS  11  -3.438  -5.565 -17.206
  117    HD2  LYS  11           HD2      LYS  11  -3.658  -8.289 -16.636
  118    HD3  LYS  11           HD3      LYS  11  -3.310  -7.521 -15.085
  119    HE2  LYS  11           HE2      LYS  11  -5.693  -7.596 -15.405
  120    HE3  LYS  11           HE3      LYS  11  -5.152  -5.922 -15.518
  121    HZ1  LYS  11           HZ1      LYS  11  -6.785  -6.948 -17.274
  122    HZ2  LYS  11           HZ2      LYS  11  -5.605  -5.825 -17.732
  123    HZ3  LYS  11           HZ3      LYS  11  -5.347  -7.477 -17.991
  124    H    LEU  12           H        LEU  12   0.536  -8.282 -19.389
  125    HA   LEU  12           HA       LEU  12  -0.775 -10.063 -21.057
  126    HB2  LEU  12           HB2      LEU  12   2.084  -9.293 -20.693
  127    HB3  LEU  12           HB3      LEU  12   1.682 -10.624 -21.776
  128    HG   LEU  12           HG       LEU  12   0.528  -7.855 -22.054
  129   HD11  LEU  12          HD11      LEU  12   2.155  -7.539 -23.866
  130   HD12  LEU  12          HD12      LEU  12   2.934  -7.705 -22.292
  131   HD13  LEU  12          HD13      LEU  12   2.930  -9.060 -23.421
  132   HD21  LEU  12          HD21      LEU  12   0.794  -9.630 -24.371
  133   HD22  LEU  12          HD22      LEU  12  -0.317 -10.209 -23.129
  134   HD23  LEU  12          HD23      LEU  12  -0.560  -8.622 -23.859
  Start of MODEL   17
    1    H1   PHE   1           H        PHE   1   0.947  -0.391   0.332
    2    HA   PHE   1           HA       PHE   1   2.377   1.165  -1.702
    3    HB2  PHE   1           HB2      PHE   1   3.531  -0.568  -0.172
    4    HB3  PHE   1           HB3      PHE   1   2.754  -1.776  -1.190
    5    HD1  PHE   1           HD1      PHE   1   3.166  -1.580  -3.731
    6    HD2  PHE   1           HD2      PHE   1   5.580   0.309  -0.778
    7    HE1  PHE   1           HE1      PHE   1   5.003  -1.393  -5.357
    8    HE2  PHE   1           HE2      PHE   1   7.420   0.501  -2.400
    9    HZ   PHE   1           HZ       PHE   1   7.133  -0.350  -4.693
   10    H    ARG   2           H        ARG   2   2.093   0.834  -3.872
   11    HA   ARG   2           HA       ARG   2  -0.383  -0.476  -4.636
   12    HB2  ARG   2           HB2      ARG   2   0.083   0.532  -6.869
   13    HB3  ARG   2           HB3      ARG   2  -0.000   1.708  -5.565
   14    HG2  ARG   2           HG2      ARG   2   2.223   2.209  -5.683
   15    HG3  ARG   2           HG3      ARG   2   2.661   0.616  -6.303
   16    HD2  ARG   2           HD2      ARG   2   2.916   1.802  -8.222
   17    HD3  ARG   2           HD3      ARG   2   1.192   1.456  -8.358
   18    HE   ARG   2           HE       ARG   2   1.442   3.843  -6.961
   19   HH11  ARG   2          HH11      ARG   2   2.179   2.599 -10.128
   20   HH12  ARG   2          HH12      ARG   2   1.992   4.131 -10.916
   21   HH21  ARG   2          HH21      ARG   2   1.192   5.865  -7.986
   22   HH22  ARG   2          HH22      ARG   2   1.431   5.988  -9.697
   23    H    ILE   3           H        ILE   3   0.832  -2.557  -3.943
   24    HA   ILE   3           HA       ILE   3   2.810  -3.656  -5.628
   25    HB   ILE   3           HB       ILE   3   0.780  -5.147  -3.962
   26   HG12  ILE   3          HG12      ILE   3   3.230  -5.146  -2.641
   27   HG13  ILE   3          HG13      ILE   3   3.069  -3.498  -3.238
   28   HG21  ILE   3          HG21      ILE   3   3.508  -6.011  -4.910
   29   HG22  ILE   3          HG22      ILE   3   2.348  -6.974  -3.995
   30   HG23  ILE   3          HG23      ILE   3   1.985  -6.497  -5.654
   31   HD11  ILE   3          HD11      ILE   3   1.095  -4.972  -1.512
   32   HD12  ILE   3          HD12      ILE   3   2.179  -3.676  -1.005
   33   HD13  ILE   3          HD13      ILE   3   0.877  -3.341  -2.147
   34    H    MET   4           H        MET   4  -0.700  -4.279  -5.482
   35    HA   MET   4           HA       MET   4  -0.929  -6.039  -7.584
   36    HB2  MET   4           HB2      MET   4  -2.916  -3.842  -6.998
   37    HB3  MET   4           HB3      MET   4  -3.242  -5.406  -7.734
   38    HG2  MET   4           HG2      MET   4  -2.036  -5.939  -5.257
   39    HG3  MET   4           HG3      MET   4  -3.223  -4.668  -4.973
   40    HE1  MET   4           HE1      MET   4  -2.457  -7.722  -6.851
   41    HE2  MET   4           HE2      MET   4  -3.452  -8.912  -6.012
   42    HE3  MET   4           HE3      MET   4  -4.023  -8.186  -7.514
   43    H    ARG   5           H        ARG   5  -0.676  -2.527  -7.682
   44    HA   ARG   5           HA       ARG   5  -1.319  -2.109 -10.366
   45    HB2  ARG   5           HB2      ARG   5   0.460  -0.626  -8.444
   46    HB3  ARG   5           HB3      ARG   5   0.249  -0.083 -10.103
   47    HG2  ARG   5           HG2      ARG   5  -2.309  -0.299  -9.462
   48    HG3  ARG   5           HG3      ARG   5  -1.661  -0.058  -7.838
   49    HD2  ARG   5           HD2      ARG   5  -0.887   2.062  -8.317
   50    HD3  ARG   5           HD3      ARG   5  -0.791   1.747 -10.049
   51    HE   ARG   5           HE       ARG   5  -3.443   1.620  -9.556
   52   HH11  ARG   5          HH11      ARG   5  -0.991   3.975  -8.807
   53   HH12  ARG   5          HH12      ARG   5  -2.081   5.321  -8.864
   54   HH21  ARG   5          HH21      ARG   5  -4.888   3.383  -9.634
   55   HH22  ARG   5          HH22      ARG   5  -4.298   4.983  -9.334
   56    H    ILE   6           H        ILE   6   1.701  -3.088  -8.848
   57    HA   ILE   6           HA       ILE   6   3.261  -2.874 -11.239
   58    HB   ILE   6           HB       ILE   6   3.898  -4.479  -8.763
   59   HG12  ILE   6          HG12      ILE   6   4.525  -1.589  -9.407
   60   HG13  ILE   6          HG13      ILE   6   3.412  -2.154  -8.166
   61   HG21  ILE   6          HG21      ILE   6   5.823  -3.214 -10.691
   62   HG22  ILE   6          HG22      ILE   6   6.140  -4.446  -9.470
   63   HG23  ILE   6          HG23      ILE   6   5.208  -4.852 -10.911
   64   HD11  ILE   6          HD11      ILE   6   5.582  -1.436  -7.267
   65   HD12  ILE   6          HD12      ILE   6   5.229  -3.130  -6.926
   66   HD13  ILE   6          HD13      ILE   6   6.368  -2.707  -8.204
   67    H    LEU   7           H        LEU   7   1.626  -5.504  -9.534
   68    HA   LEU   7           HA       LEU   7   2.588  -7.650 -11.033
   69    HB2  LEU   7           HB2      LEU   7  -0.213  -7.463  -9.961
   70    HB3  LEU   7           HB3      LEU   7   0.773  -8.907 -10.183
   71    HG   LEU   7           HG       LEU   7   0.985  -6.807  -8.044
   72   HD11  LEU   7          HD11      LEU   7   1.199  -9.312  -6.938
   73   HD12  LEU   7          HD12      LEU   7  -0.268  -8.336  -7.012
   74   HD13  LEU   7          HD13      LEU   7   0.043  -9.554  -8.248
   75   HD21  LEU   7          HD21      LEU   7   3.026  -7.949  -7.284
   76   HD22  LEU   7          HD22      LEU   7   3.012  -8.926  -8.752
   77   HD23  LEU   7          HD23      LEU   7   3.239  -7.181  -8.858
   78    H    ARG   8           H        ARG   8  -0.054  -5.411 -11.664
   79    HA   ARG   8           HA       ARG   8  -1.335  -6.688 -13.753
   80    HB2  ARG   8           HB2      ARG   8  -0.795  -3.719 -13.626
   81    HB3  ARG   8           HB3      ARG   8  -2.130  -4.522 -14.442
   82    HG2  ARG   8           HG2      ARG   8  -2.201  -5.319 -11.732
   83    HG3  ARG   8           HG3      ARG   8  -1.983  -3.568 -11.769
   84    HD2  ARG   8           HD2      ARG   8  -4.264  -3.688 -11.877
   85    HD3  ARG   8           HD3      ARG   8  -3.873  -3.710 -13.596
   86    HE   ARG   8           HE       ARG   8  -4.619  -5.879 -13.713
   87   HH11  ARG   8          HH11      ARG   8  -4.273  -4.941 -10.378
   88   HH12  ARG   8          HH12      ARG   8  -5.064  -6.354  -9.763
   89   HH21  ARG   8          HH21      ARG   8  -5.662  -7.744 -12.915
   90   HH22  ARG   8          HH22      ARG   8  -5.853  -7.948 -11.207
   91    H    VAL   9           H        VAL   9   1.767  -5.125 -13.698
   92    HA   VAL   9           HA       VAL   9   2.147  -4.639 -16.425
   93    HB   VAL   9           HB       VAL   9   4.218  -5.434 -14.374
   94   HG11  VAL   9          HG11      VAL   9   4.469  -4.210 -17.113
   95   HG12  VAL   9          HG12      VAL   9   5.761  -4.179 -15.914
   96   HG13  VAL   9          HG13      VAL   9   5.169  -5.721 -16.533
   97   HG21  VAL   9          HG21      VAL   9   3.909  -3.429 -13.472
   98   HG22  VAL   9          HG22      VAL   9   4.300  -2.677 -15.019
   99   HG23  VAL   9          HG23      VAL   9   2.628  -3.088 -14.635
  100    H    LEU  10           H        LEU  10   2.485  -7.579 -14.534
  101    HA   LEU  10           HA       LEU  10   3.873  -9.139 -16.404
  102    HB2  LEU  10           HB2      LEU  10   1.854  -9.959 -14.322
  103    HB3  LEU  10           HB3      LEU  10   2.896 -11.075 -15.203
  104    HG   LEU  10           HG       LEU  10   3.923  -8.891 -13.395
  105   HD11  LEU  10          HD11      LEU  10   3.020 -10.189 -11.782
  106   HD12  LEU  10          HD12      LEU  10   2.946 -11.617 -12.815
  107   HD13  LEU  10          HD13      LEU  10   4.472 -11.150 -12.065
  108   HD21  LEU  10          HD21      LEU  10   6.026  -9.805 -13.685
  109   HD22  LEU  10          HD22      LEU  10   5.392 -11.358 -14.228
  110   HD23  LEU  10          HD23      LEU  10   5.331  -9.958 -15.299
  111    H    LYS  11           H        LYS  11   0.495  -8.286 -16.140
  112    HA   LYS  11           HA       LYS  11   0.005  -9.678 -18.685
  113    HB2  LYS  11           HB2      LYS  11  -2.352 -10.075 -17.838
  114    HB3  LYS  11           HB3      LYS  11  -1.091 -11.049 -17.093
  115    HG2  LYS  11           HG2      LYS  11  -2.137 -10.428 -15.201
  116    HG3  LYS  11           HG3      LYS  11  -1.129  -8.990 -15.378
  117    HD2  LYS  11           HD2      LYS  11  -2.882  -7.680 -16.058
  118    HD3  LYS  11           HD3      LYS  11  -3.776  -9.041 -16.740
  119    HE2  LYS  11           HE2      LYS  11  -3.334  -8.889 -13.790
  120    HE3  LYS  11           HE3      LYS  11  -4.586  -7.895 -14.533
  121    HZ1  LYS  11           HZ1      LYS  11  -5.550  -9.944 -13.823
  122    HZ2  LYS  11           HZ2      LYS  11  -5.501  -9.956 -15.514
  123    HZ3  LYS  11           HZ3      LYS  11  -4.374 -10.854 -14.628
  124    H    LEU  12           H        LEU  12   0.753  -7.016 -18.506
  125    HA   LEU  12           HA       LEU  12  -1.480  -5.255 -18.431
  126    HB2  LEU  12           HB2      LEU  12  -0.001  -3.569 -18.975
  127    HB3  LEU  12           HB3      LEU  12   1.032  -4.740 -18.158
  128    HG   LEU  12           HG       LEU  12   0.857  -4.209 -21.120
  129   HD11  LEU  12          HD11      LEU  12   2.804  -3.580 -18.957
  130   HD12  LEU  12          HD12      LEU  12   3.407  -3.904 -20.583
  131   HD13  LEU  12          HD13      LEU  12   2.261  -2.591 -20.312
  132   HD21  LEU  12          HD21      LEU  12   2.521  -5.941 -21.410
  133   HD22  LEU  12          HD22      LEU  12   2.508  -6.284 -19.680
  134   HD23  LEU  12          HD23      LEU  12   1.078  -6.621 -20.657
  Start of MODEL   18
    1    H1   PHE   1           H        PHE   1   1.630   0.463   0.525
    2    HA   PHE   1           HA       PHE   1   2.405   1.141  -1.983
    3    HB2  PHE   1           HB2      PHE   1   3.501  -0.460  -0.242
    4    HB3  PHE   1           HB3      PHE   1   2.668  -1.727  -1.137
    5    HD1  PHE   1           HD1      PHE   1   3.085  -1.834  -3.668
    6    HD2  PHE   1           HD2      PHE   1   5.565   0.312  -0.954
    7    HE1  PHE   1           HE1      PHE   1   4.916  -1.878  -5.311
    8    HE2  PHE   1           HE2      PHE   1   7.399   0.272  -2.593
    9    HZ   PHE   1           HZ       PHE   1   7.076  -0.823  -4.775
   10    H    ARG   2           H        ARG   2   1.747   0.818  -4.014
   11    HA   ARG   2           HA       ARG   2  -0.682  -0.704  -4.457
   12    HB2  ARG   2           HB2      ARG   2   0.790   0.629  -6.683
   13    HB3  ARG   2           HB3      ARG   2  -0.942   0.496  -6.407
   14    HG2  ARG   2           HG2      ARG   2  -0.725   2.127  -4.556
   15    HG3  ARG   2           HG3      ARG   2   0.979   2.317  -4.975
   16    HD2  ARG   2           HD2      ARG   2  -0.185   4.101  -6.019
   17    HD3  ARG   2           HD3      ARG   2   0.228   2.951  -7.290
   18    HE   ARG   2           HE       ARG   2  -2.263   2.195  -6.572
   19   HH11  ARG   2          HH11      ARG   2  -0.869   5.256  -7.471
   20   HH12  ARG   2          HH12      ARG   2  -2.335   5.869  -8.162
   21   HH21  ARG   2          HH21      ARG   2  -4.199   2.990  -7.479
   22   HH22  ARG   2          HH22      ARG   2  -4.229   4.579  -8.166
   23    H    ILE   3           H        ILE   3   0.814  -2.644  -3.832
   24    HA   ILE   3           HA       ILE   3   2.728  -3.710  -5.497
   25    HB   ILE   3           HB       ILE   3   0.587  -5.314  -4.097
   26   HG12  ILE   3          HG12      ILE   3   2.815  -5.371  -2.491
   27   HG13  ILE   3          HG13      ILE   3   2.828  -3.712  -3.080
   28   HG21  ILE   3          HG21      ILE   3   3.291  -6.386  -4.212
   29   HG22  ILE   3          HG22      ILE   3   1.750  -7.154  -4.595
   30   HG23  ILE   3          HG23      ILE   3   2.566  -6.163  -5.804
   31   HD11  ILE   3          HD11      ILE   3   1.055  -5.014  -1.169
   32   HD12  ILE   3          HD12      ILE   3   1.463  -3.310  -1.368
   33   HD13  ILE   3          HD13      ILE   3   0.216  -4.042  -2.378
   34    H    MET   4           H        MET   4  -0.796  -4.160  -5.707
   35    HA   MET   4           HA       MET   4  -0.895  -5.878  -7.872
   36    HB2  MET   4           HB2      MET   4  -2.832  -3.621  -7.338
   37    HB3  MET   4           HB3      MET   4  -3.158  -5.098  -8.234
   38    HG2  MET   4           HG2      MET   4  -2.200  -5.786  -5.641
   39    HG3  MET   4           HG3      MET   4  -3.499  -4.606  -5.482
   40    HE1  MET   4           HE1      MET   4  -3.661  -7.556  -8.539
   41    HE2  MET   4           HE2      MET   4  -2.298  -7.527  -7.421
   42    HE3  MET   4           HE3      MET   4  -3.548  -8.760  -7.255
   43    H    ARG   5           H        ARG   5  -0.476  -2.384  -7.815
   44    HA   ARG   5           HA       ARG   5  -0.875  -1.812 -10.508
   45    HB2  ARG   5           HB2      ARG   5   0.026  -0.428  -8.245
   46    HB3  ARG   5           HB3      ARG   5   1.322  -0.275  -9.423
   47    HG2  ARG   5           HG2      ARG   5  -1.556   0.381 -10.002
   48    HG3  ARG   5           HG3      ARG   5  -0.355   1.563  -9.477
   49    HD2  ARG   5           HD2      ARG   5   0.641   1.634 -11.494
   50    HD3  ARG   5           HD3      ARG   5   0.463  -0.101 -11.753
   51    HE   ARG   5           HE       ARG   5  -2.056   0.786 -12.053
   52   HH11  ARG   5          HH11      ARG   5   0.977   1.838 -13.400
   53   HH12  ARG   5          HH12      ARG   5   0.273   2.407 -14.877
   54   HH21  ARG   5          HH21      ARG   5  -2.995   1.532 -13.994
   55   HH22  ARG   5          HH22      ARG   5  -1.987   2.234 -15.213
   56    H    ILE   6           H        ILE   6   1.861  -3.248  -8.879
   57    HA   ILE   6           HA       ILE   6   3.567  -3.055 -11.216
   58    HB   ILE   6           HB       ILE   6   4.080  -4.598  -8.674
   59   HG12  ILE   6          HG12      ILE   6   4.757  -1.735  -9.379
   60   HG13  ILE   6          HG13      ILE   6   3.670  -2.273  -8.103
   61   HG21  ILE   6          HG21      ILE   6   6.332  -4.671  -9.322
   62   HG22  ILE   6          HG22      ILE   6   5.431  -5.052 -10.790
   63   HG23  ILE   6          HG23      ILE   6   6.105  -3.438 -10.563
   64   HD11  ILE   6          HD11      ILE   6   6.639  -2.744  -8.213
   65   HD12  ILE   6          HD12      ILE   6   5.803  -1.571  -7.196
   66   HD13  ILE   6          HD13      ILE   6   5.554  -3.297  -6.937
   67    H    LEU   7           H        LEU   7   1.970  -5.626  -9.351
   68    HA   LEU   7           HA       LEU   7   2.820  -7.795 -10.889
   69    HB2  LEU   7           HB2      LEU   7   0.132  -7.586  -9.558
   70    HB3  LEU   7           HB3      LEU   7   1.071  -9.044  -9.877
   71    HG   LEU   7           HG       LEU   7   1.505  -6.955  -7.765
   72   HD11  LEU   7          HD11      LEU   7   1.865  -9.611  -6.877
   73   HD12  LEU   7          HD12      LEU   7   0.557  -8.494  -6.484
   74   HD13  LEU   7          HD13      LEU   7   0.403  -9.581  -7.864
   75   HD21  LEU   7          HD21      LEU   7   3.625  -8.092  -7.230
   76   HD22  LEU   7          HD22      LEU   7   3.473  -9.036  -8.712
   77   HD23  LEU   7          HD23      LEU   7   3.667  -7.285  -8.797
   78    H    ARG   8           H        ARG   8  -0.025  -5.713 -11.237
   79    HA   ARG   8           HA       ARG   8  -1.342  -7.049 -13.271
   80    HB2  ARG   8           HB2      ARG   8  -2.360  -4.906 -13.839
   81    HB3  ARG   8           HB3      ARG   8  -2.267  -5.102 -12.094
   82    HG2  ARG   8           HG2      ARG   8  -1.222  -3.161 -11.941
   83    HG3  ARG   8           HG3      ARG   8   0.100  -3.799 -12.921
   84    HD2  ARG   8           HD2      ARG   8  -2.308  -2.991 -14.409
   85    HD3  ARG   8           HD3      ARG   8  -1.432  -1.681 -13.619
   86    HE   ARG   8           HE       ARG   8   0.308  -3.399 -15.086
   87   HH11  ARG   8          HH11      ARG   8  -1.947  -0.765 -15.397
   88   HH12  ARG   8          HH12      ARG   8  -1.229  -0.149 -16.848
   89   HH21  ARG   8          HH21      ARG   8   1.263  -2.598 -16.996
   90   HH22  ARG   8          HH22      ARG   8   0.597  -1.193 -17.757
   91    H    VAL   9           H        VAL   9   1.585  -5.192 -13.386
   92    HA   VAL   9           HA       VAL   9   1.689  -4.531 -16.098
   93    HB   VAL   9           HB       VAL   9   4.019  -5.284 -14.329
   94   HG11  VAL   9          HG11      VAL   9   4.992  -5.167 -16.392
   95   HG12  VAL   9          HG12      VAL   9   3.780  -4.051 -17.023
   96   HG13  VAL   9          HG13      VAL   9   5.046  -3.461 -15.945
   97   HG21  VAL   9          HG21      VAL   9   2.611  -3.537 -13.329
   98   HG22  VAL   9          HG22      VAL   9   4.187  -2.912 -13.815
   99   HG23  VAL   9          HG23      VAL   9   2.764  -2.581 -14.803
  100    H    LEU  10           H        LEU  10   2.502  -7.520 -14.424
  101    HA   LEU  10           HA       LEU  10   3.875  -8.881 -16.391
  102    HB2  LEU  10           HB2      LEU  10   1.802 -10.060 -14.549
  103    HB3  LEU  10           HB3      LEU  10   3.112 -10.928 -15.347
  104    HG   LEU  10           HG       LEU  10   3.444  -8.829 -13.203
  105   HD11  LEU  10          HD11      LEU  10   4.324 -11.585 -12.727
  106   HD12  LEU  10          HD12      LEU  10   3.496 -10.452 -11.658
  107   HD13  LEU  10          HD13      LEU  10   2.577 -11.377 -12.846
  108   HD21  LEU  10          HD21      LEU  10   5.745 -10.430 -13.558
  109   HD22  LEU  10          HD22      LEU  10   5.258  -9.849 -15.151
  110   HD23  LEU  10          HD23      LEU  10   5.561  -8.700 -13.848
  111    H    LYS  11           H        LYS  11   0.433  -8.273 -16.116
  112    HA   LYS  11           HA       LYS  11   0.065  -9.520 -18.760
  113    HB2  LYS  11           HB2      LYS  11  -2.343  -9.889 -17.982
  114    HB3  LYS  11           HB3      LYS  11  -1.110 -10.939 -17.297
  115    HG2  LYS  11           HG2      LYS  11  -1.797  -8.457 -15.822
  116    HG3  LYS  11           HG3      LYS  11  -2.956  -9.788 -15.803
  117    HD2  LYS  11           HD2      LYS  11  -0.504 -11.004 -15.338
  118    HD3  LYS  11           HD3      LYS  11  -0.432  -9.507 -14.405
  119    HE2  LYS  11           HE2      LYS  11  -1.436 -10.858 -12.867
  120    HE3  LYS  11           HE3      LYS  11  -2.869 -10.257 -13.700
  121    HZ1  LYS  11           HZ1      LYS  11  -3.290 -12.260 -14.611
  122    HZ2  LYS  11           HZ2      LYS  11  -1.657 -12.662 -14.798
  123    HZ3  LYS  11           HZ3      LYS  11  -2.403 -12.832 -13.288
  124    H    LEU  12           H        LEU  12   0.691  -7.228 -19.342
  125    HA   LEU  12           HA       LEU  12  -1.282  -5.180 -18.887
  126    HB2  LEU  12           HB2      LEU  12   0.172  -3.725 -19.919
  127    HB3  LEU  12           HB3      LEU  12   1.269  -4.927 -19.242
  128    HG   LEU  12           HG       LEU  12   0.426  -4.647 -22.124
  129   HD11  LEU  12          HD11      LEU  12   2.701  -4.094 -22.543
  130   HD12  LEU  12          HD12      LEU  12   2.148  -3.071 -21.218
  131   HD13  LEU  12          HD13      LEU  12   3.164  -4.474 -20.884
  132   HD21  LEU  12          HD21      LEU  12   2.244  -6.717 -20.897
  133   HD22  LEU  12          HD22      LEU  12   0.590  -7.016 -21.430
  134   HD23  LEU  12          HD23      LEU  12   1.824  -6.552 -22.602
  Start of MODEL   19
    1    H1   PHE   1           H        PHE   1   0.228  -0.975   0.321
    2    HA   PHE   1           HA       PHE   1   2.479  -0.120  -0.854
    3    HB2  PHE   1           HB2      PHE   1   3.592  -2.093   0.278
    4    HB3  PHE   1           HB3      PHE   1   2.694  -3.131  -0.823
    5    HD1  PHE   1           HD1      PHE   1   2.974  -2.606  -3.356
    6    HD2  PHE   1           HD2      PHE   1   5.680  -1.331  -0.328
    7    HE1  PHE   1           HE1      PHE   1   4.738  -2.336  -5.050
    8    HE2  PHE   1           HE2      PHE   1   7.448  -1.059  -2.017
    9    HZ   PHE   1           HZ       PHE   1   6.978  -1.560  -4.382
   10    H    ARG   2           H        ARG   2   2.145   0.140  -2.997
   11    HA   ARG   2           HA       ARG   2  -0.325  -0.832  -4.098
   12    HB2  ARG   2           HB2      ARG   2   0.344   0.487  -6.099
   13    HB3  ARG   2           HB3      ARG   2   0.347   1.424  -4.610
   14    HG2  ARG   2           HG2      ARG   2   2.921   0.548  -4.706
   15    HG3  ARG   2           HG3      ARG   2   2.544   0.750  -6.418
   16    HD2  ARG   2           HD2      ARG   2   3.460   2.806  -5.563
   17    HD3  ARG   2           HD3      ARG   2   1.751   3.042  -5.928
   18    HE   ARG   2           HE       ARG   2   1.820   2.363  -3.277
   19   HH11  ARG   2          HH11      ARG   2   3.260   4.848  -5.246
   20   HH12  ARG   2          HH12      ARG   2   3.310   6.015  -3.966
   21   HH21  ARG   2          HH21      ARG   2   1.880   3.891  -1.584
   22   HH22  ARG   2          HH22      ARG   2   2.526   5.469  -1.884
   23    H    ILE   3           H        ILE   3   0.484  -3.133  -3.819
   24    HA   ILE   3           HA       ILE   3   2.477  -4.174  -5.534
   25    HB   ILE   3           HB       ILE   3   0.114  -5.641  -4.356
   26   HG12  ILE   3          HG12      ILE   3   2.361  -6.253  -2.858
   27   HG13  ILE   3          HG13      ILE   3   2.533  -4.527  -3.153
   28   HG21  ILE   3          HG21      ILE   3   1.422  -7.635  -4.641
   29   HG22  ILE   3          HG22      ILE   3   1.322  -6.799  -6.191
   30   HG23  ILE   3          HG23      ILE   3   2.797  -6.700  -5.229
   31   HD11  ILE   3          HD11      ILE   3   0.031  -4.465  -2.390
   32   HD12  ILE   3          HD12      ILE   3   0.454  -5.993  -1.619
   33   HD13  ILE   3          HD13      ILE   3   1.339  -4.524  -1.208
   34    H    MET   4           H        MET   4  -1.078  -4.186  -5.785
   35    HA   MET   4           HA       MET   4  -1.356  -5.509  -8.186
   36    HB2  MET   4           HB2      MET   4  -3.011  -3.126  -7.349
   37    HB3  MET   4           HB3      MET   4  -3.504  -4.443  -8.404
   38    HG2  MET   4           HG2      MET   4  -2.673  -5.593  -5.965
   39    HG3  MET   4           HG3      MET   4  -3.723  -4.232  -5.578
   40    HE1  MET   4           HE1      MET   4  -4.353  -8.119  -7.549
   41    HE2  MET   4           HE2      MET   4  -4.645  -6.989  -8.871
   42    HE3  MET   4           HE3      MET   4  -3.120  -6.936  -7.986
   43    H    ARG   5           H        ARG   5  -0.498  -2.147  -7.608
   44    HA   ARG   5           HA       ARG   5  -0.779  -1.156 -10.202
   45    HB2  ARG   5           HB2      ARG   5   0.844  -0.388  -7.822
   46    HB3  ARG   5           HB3      ARG   5   1.238   0.353  -9.367
   47    HG2  ARG   5           HG2      ARG   5  -1.417   0.723  -9.360
   48    HG3  ARG   5           HG3      ARG   5  -1.105   0.734  -7.623
   49    HD2  ARG   5           HD2      ARG   5   0.864   2.294  -9.039
   50    HD3  ARG   5           HD3      ARG   5  -0.767   2.844  -9.421
   51    HE   ARG   5           HE       ARG   5  -0.331   2.466  -6.612
   52   HH11  ARG   5          HH11      ARG   5   0.046   4.673  -9.278
   53   HH12  ARG   5          HH12      ARG   5   0.054   6.086  -8.276
   54   HH21  ARG   5          HH21      ARG   5  -0.322   4.319  -5.283
   55   HH22  ARG   5          HH22      ARG   5  -0.154   5.884  -6.004
   56    H    ILE   6           H        ILE   6   1.833  -2.967  -8.701
   57    HA   ILE   6           HA       ILE   6   3.649  -2.638 -10.894
   58    HB   ILE   6           HB       ILE   6   3.704  -4.677  -8.666
   59   HG12  ILE   6          HG12      ILE   6   5.017  -1.962  -8.915
   60   HG13  ILE   6          HG13      ILE   6   3.752  -2.412  -7.777
   61   HG21  ILE   6          HG21      ILE   6   5.905  -3.751 -10.508
   62   HG22  ILE   6          HG22      ILE   6   6.055  -4.936  -9.210
   63   HG23  ILE   6          HG23      ILE   6   5.059  -5.295 -10.620
   64   HD11  ILE   6          HD11      ILE   6   5.286  -3.984  -6.706
   65   HD12  ILE   6          HD12      ILE   6   6.553  -3.507  -7.837
   66   HD13  ILE   6          HD13      ILE   6   5.910  -2.334  -6.687
   67    H    LEU   7           H        LEU   7   1.581  -5.289  -9.741
   68    HA   LEU   7           HA       LEU   7   2.246  -7.235 -11.579
   69    HB2  LEU   7           HB2      LEU   7  -0.570  -6.726 -10.659
   70    HB3  LEU   7           HB3      LEU   7   0.164  -8.265 -11.103
   71    HG   LEU   7           HG       LEU   7   0.533  -6.668  -8.587
   72   HD11  LEU   7          HD11      LEU   7  -0.399  -8.467  -7.509
   73   HD12  LEU   7          HD12      LEU   7  -1.276  -8.502  -9.039
   74   HD13  LEU   7          HD13      LEU   7   0.072  -9.607  -8.770
   75   HD21  LEU   7          HD21      LEU   7   2.253  -8.934  -9.589
   76   HD22  LEU   7          HD22      LEU   7   2.762  -7.267  -9.322
   77   HD23  LEU   7          HD23      LEU   7   2.288  -8.274  -7.954
   78    H    ARG   8           H        ARG   8   0.074  -4.488 -11.954
   79    HA   ARG   8           HA       ARG   8  -1.194  -5.138 -14.319
   80    HB2  ARG   8           HB2      ARG   8  -0.195  -2.412 -13.472
   81    HB3  ARG   8           HB3      ARG   8  -1.419  -2.718 -14.697
   82    HG2  ARG   8           HG2      ARG   8  -2.286  -4.063 -12.399
   83    HG3  ARG   8           HG3      ARG   8  -1.705  -2.488 -11.856
   84    HD2  ARG   8           HD2      ARG   8  -3.750  -3.018 -14.008
   85    HD3  ARG   8           HD3      ARG   8  -4.056  -2.351 -12.405
   86    HE   ARG   8           HE       ARG   8  -2.182  -0.755 -13.799
   87   HH11  ARG   8          HH11      ARG   8  -5.573  -1.533 -13.686
   88   HH12  ARG   8          HH12      ARG   8  -6.079  -0.001 -14.318
   89   HH21  ARG   8          HH21      ARG   8  -2.836   1.266 -14.632
   90   HH22  ARG   8          HH22      ARG   8  -4.521   1.589 -14.856
   91    H    VAL   9           H        VAL   9   2.102  -4.163 -13.786
   92    HA   VAL   9           HA       VAL   9   2.826  -3.300 -16.333
   93    HB   VAL   9           HB       VAL   9   4.506  -4.838 -14.348
   94   HG11  VAL   9          HG11      VAL   9   6.247  -3.278 -15.693
   95   HG12  VAL   9          HG12      VAL   9   5.905  -4.956 -16.113
   96   HG13  VAL   9          HG13      VAL   9   5.097  -3.648 -16.977
   97   HG21  VAL   9          HG21      VAL   9   4.703  -2.963 -13.159
   98   HG22  VAL   9          HG22      VAL   9   5.019  -1.999 -14.601
   99   HG23  VAL   9          HG23      VAL   9   3.358  -2.324 -14.105
  100    H    LEU  10           H        LEU  10   2.367  -6.533 -15.071
  101    HA   LEU  10           HA       LEU  10   3.547  -7.843 -17.341
  102    HB2  LEU  10           HB2      LEU  10   1.801  -8.893 -15.120
  103    HB3  LEU  10           HB3      LEU  10   2.593  -9.894 -16.335
  104    HG   LEU  10           HG       LEU  10   3.981  -8.200 -14.257
  105   HD11  LEU  10          HD11      LEU  10   4.742 -10.720 -13.753
  106   HD12  LEU  10          HD12      LEU  10   3.358  -9.951 -12.976
  107   HD13  LEU  10          HD13      LEU  10   3.113 -11.019 -14.357
  108   HD21  LEU  10          HD21      LEU  10   4.900  -9.211 -16.747
  109   HD22  LEU  10          HD22      LEU  10   5.816  -8.381 -15.489
  110   HD23  LEU  10          HD23      LEU  10   5.669 -10.138 -15.459
  111    H    LYS  11           H        LYS  11   0.391  -6.710 -16.437
  112    HA   LYS  11           HA       LYS  11  -1.687  -6.994 -17.394
  113    HB2  LYS  11           HB2      LYS  11  -1.762  -6.112 -19.639
  114    HB3  LYS  11           HB3      LYS  11  -0.547  -5.231 -18.723
  115    HG2  LYS  11           HG2      LYS  11   0.373  -7.570 -20.286
  116    HG3  LYS  11           HG3      LYS  11  -0.116  -6.130 -21.183
  117    HD2  LYS  11           HD2      LYS  11   1.441  -5.125 -19.132
  118    HD3  LYS  11           HD3      LYS  11   2.269  -6.615 -19.592
  119    HE2  LYS  11           HE2      LYS  11   3.228  -5.095 -21.032
  120    HE3  LYS  11           HE3      LYS  11   1.911  -5.728 -22.019
  121    HZ1  LYS  11           HZ1      LYS  11   0.820  -3.624 -20.639
  122    HZ2  LYS  11           HZ2      LYS  11   2.353  -3.071 -21.094
  123    HZ3  LYS  11           HZ3      LYS  11   1.272  -3.632 -22.269
  124    H    LEU  12           H        LEU  12  -0.580  -9.499 -16.951
  125    HA   LEU  12           HA       LEU  12  -0.678 -11.688 -17.580
  126    HB2  LEU  12           HB2      LEU  12  -2.944 -10.776 -19.338
  127    HB3  LEU  12           HB3      LEU  12  -2.698 -12.379 -18.649
  128    HG   LEU  12           HG       LEU  12  -3.066 -10.055 -16.814
  129   HD11  LEU  12          HD11      LEU  12  -4.860 -10.303 -18.780
  130   HD12  LEU  12          HD12      LEU  12  -5.497 -11.507 -17.660
  131   HD13  LEU  12          HD13      LEU  12  -5.294  -9.836 -17.136
  132   HD21  LEU  12          HD21      LEU  12  -4.100 -12.870 -16.612
  133   HD22  LEU  12          HD22      LEU  12  -2.474 -12.417 -16.099
  134   HD23  LEU  12          HD23      LEU  12  -3.879 -11.686 -15.323
  Start of MODEL   20
    1    H1   PHE   1           H        PHE   1   0.929  -1.866   0.942
    2    HA   PHE   1           HA       PHE   1   2.445  -0.134  -0.774
    3    HB2  PHE   1           HB2      PHE   1   3.242  -2.295   0.390
    4    HB3  PHE   1           HB3      PHE   1   2.438  -3.139  -0.930
    5    HD1  PHE   1           HD1      PHE   1   3.138  -2.539  -3.312
    6    HD2  PHE   1           HD2      PHE   1   5.405  -1.494   0.135
    7    HE1  PHE   1           HE1      PHE   1   5.135  -2.244  -4.719
    8    HE2  PHE   1           HE2      PHE   1   7.405  -1.196  -1.267
    9    HZ   PHE   1           HZ       PHE   1   7.272  -1.570  -3.697
   10    H    ARG   2           H        ARG   2   2.407  -0.008  -3.002
   11    HA   ARG   2           HA       ARG   2  -0.131  -0.702  -4.227
   12    HB2  ARG   2           HB2      ARG   2   0.748   0.617  -6.157
   13    HB3  ARG   2           HB3      ARG   2   0.678   1.519  -4.649
   14    HG2  ARG   2           HG2      ARG   2   2.953   1.637  -4.450
   15    HG3  ARG   2           HG3      ARG   2   3.219   0.156  -5.371
   16    HD2  ARG   2           HD2      ARG   2   1.992   2.429  -6.815
   17    HD3  ARG   2           HD3      ARG   2   3.687   2.599  -6.360
   18    HE   ARG   2           HE       ARG   2   3.090   0.102  -7.648
   19   HH11  ARG   2          HH11      ARG   2   3.907   3.450  -8.145
   20   HH12  ARG   2          HH12      ARG   2   4.595   3.184  -9.712
   21   HH21  ARG   2          HH21      ARG   2   3.994  -0.260  -9.711
   22   HH22  ARG   2          HH22      ARG   2   4.643   1.074 -10.603
   23    H    ILE   3           H        ILE   3   0.637  -3.055  -3.900
   24    HA   ILE   3           HA       ILE   3   2.610  -4.121  -5.631
   25    HB   ILE   3           HB       ILE   3   0.250  -5.552  -4.404
   26   HG12  ILE   3          HG12      ILE   3   2.558  -6.190  -2.984
   27   HG13  ILE   3          HG13      ILE   3   2.686  -4.455  -3.250
   28   HG21  ILE   3          HG21      ILE   3   1.367  -6.747  -6.258
   29   HG22  ILE   3          HG22      ILE   3   2.887  -6.648  -5.369
   30   HG23  ILE   3          HG23      ILE   3   1.537  -7.569  -4.707
   31   HD11  ILE   3          HD11      ILE   3   0.472  -4.152  -2.256
   32   HD12  ILE   3          HD12      ILE   3   0.374  -5.889  -1.967
   33   HD13  ILE   3          HD13      ILE   3   1.601  -4.926  -1.143
   34    H    MET   4           H        MET   4  -0.947  -4.079  -5.831
   35    HA   MET   4           HA       MET   4  -1.299  -5.415  -8.209
   36    HB2  MET   4           HB2      MET   4  -2.867  -2.958  -7.425
   37    HB3  MET   4           HB3      MET   4  -3.417  -4.311  -8.406
   38    HG2  MET   4           HG2      MET   4  -2.603  -5.430  -5.981
   39    HG3  MET   4           HG3      MET   4  -3.488  -3.966  -5.558
   40    HE1  MET   4           HE1      MET   4  -4.647  -7.846  -7.270
   41    HE2  MET   4           HE2      MET   4  -4.796  -6.780  -8.667
   42    HE3  MET   4           HE3      MET   4  -3.272  -6.869  -7.784
   43    H    ARG   5           H        ARG   5  -0.472  -2.012  -7.719
   44    HA   ARG   5           HA       ARG   5  -0.686  -1.132 -10.355
   45    HB2  ARG   5           HB2      ARG   5   0.619  -0.206  -7.899
   46    HB3  ARG   5           HB3      ARG   5   1.436   0.312  -9.368
   47    HG2  ARG   5           HG2      ARG   5  -0.070   1.900  -9.680
   48    HG3  ARG   5           HG3      ARG   5  -1.370   0.706  -9.684
   49    HD2  ARG   5           HD2      ARG   5  -0.162   1.997  -7.240
   50    HD3  ARG   5           HD3      ARG   5  -1.715   2.414  -7.964
   51    HE   ARG   5           HE       ARG   5  -1.126   0.135  -6.301
   52   HH11  ARG   5          HH11      ARG   5  -3.278   1.496  -8.675
   53   HH12  ARG   5          HH12      ARG   5  -4.618   0.493  -8.227
   54   HH21  ARG   5          HH21      ARG   5  -2.882  -1.191  -5.701
   55   HH22  ARG   5          HH22      ARG   5  -4.392  -1.035  -6.534
   56    H    ILE   6           H        ILE   6   1.808  -2.986  -8.769
   57    HA   ILE   6           HA       ILE   6   3.684  -2.687 -10.954
   58    HB   ILE   6           HB       ILE   6   3.852  -4.614  -8.639
   59   HG12  ILE   6          HG12      ILE   6   4.873  -1.774  -8.852
   60   HG13  ILE   6          HG13      ILE   6   3.598  -2.342  -7.780
   61   HG21  ILE   6          HG21      ILE   6   6.079  -4.910  -9.183
   62   HG22  ILE   6          HG22      ILE   6   5.321  -4.796 -10.771
   63   HG23  ILE   6          HG23      ILE   6   6.164  -3.402 -10.095
   64   HD11  ILE   6          HD11      ILE   6   5.721  -2.021  -6.616
   65   HD12  ILE   6          HD12      ILE   6   5.190  -3.702  -6.568
   66   HD13  ILE   6          HD13      ILE   6   6.475  -3.214  -7.673
   67    H    LEU   7           H        LEU   7   1.686  -5.285  -9.582
   68    HA   LEU   7           HA       LEU   7   2.435  -7.307 -11.364
   69    HB2  LEU   7           HB2      LEU   7  -0.301  -6.995 -10.154
   70    HB3  LEU   7           HB3      LEU   7   0.500  -8.487 -10.641
   71    HG   LEU   7           HG       LEU   7   1.004  -6.787  -8.220
   72   HD11  LEU   7          HD11      LEU   7  -0.095  -9.441  -8.816
   73   HD12  LEU   7          HD12      LEU   7   1.039  -9.391  -7.466
   74   HD13  LEU   7          HD13      LEU   7  -0.394  -8.364  -7.452
   75   HD21  LEU   7          HD21      LEU   7   2.821  -8.896  -9.380
   76   HD22  LEU   7          HD22      LEU   7   3.187  -7.183  -9.179
   77   HD23  LEU   7          HD23      LEU   7   2.967  -8.210  -7.762
   78    H    ARG   8           H        ARG   8  -0.198  -4.937 -11.546
   79    HA   ARG   8           HA       ARG   8  -1.476  -5.829 -13.830
   80    HB2  ARG   8           HB2      ARG   8  -2.312  -3.576 -14.099
   81    HB3  ARG   8           HB3      ARG   8  -2.269  -3.976 -12.387
   82    HG2  ARG   8           HG2      ARG   8  -1.138  -2.109 -12.037
   83    HG3  ARG   8           HG3      ARG   8   0.205  -2.798 -12.951
   84    HD2  ARG   8           HD2      ARG   8  -0.268  -0.732 -13.979
   85    HD3  ARG   8           HD3      ARG   8  -0.968  -1.959 -15.035
   86    HE   ARG   8           HE       ARG   8  -2.862  -0.976 -13.146
   87   HH11  ARG   8          HH11      ARG   8  -1.283  -0.251 -16.163
   88   HH12  ARG   8          HH12      ARG   8  -2.570   0.754 -16.744
   89   HH21  ARG   8          HH21      ARG   8  -4.562   0.344 -13.900
   90   HH22  ARG   8          HH22      ARG   8  -4.434   1.092 -15.456
   91    H    VAL   9           H        VAL   9   1.597  -4.255 -13.502
   92    HA   VAL   9           HA       VAL   9   1.942  -3.217 -16.071
   93    HB   VAL   9           HB       VAL   9   4.080  -4.443 -14.324
   94   HG11  VAL   9          HG11      VAL   9   5.266  -2.394 -15.613
   95   HG12  VAL   9          HG12      VAL   9   5.280  -4.059 -16.196
   96   HG13  VAL   9          HG13      VAL   9   4.108  -2.909 -16.840
   97   HG21  VAL   9          HG21      VAL   9   4.414  -2.178 -13.456
   98   HG22  VAL   9          HG22      VAL   9   3.040  -1.612 -14.406
   99   HG23  VAL   9          HG23      VAL   9   2.791  -2.771 -13.101
  100    H    LEU  10           H        LEU  10   2.398  -6.482 -14.829
  101    HA   LEU  10           HA       LEU  10   3.163  -7.391 -17.514
  102    HB2  LEU  10           HB2      LEU  10   3.286  -8.888 -14.901
  103    HB3  LEU  10           HB3      LEU  10   3.929  -9.427 -16.451
  104    HG   LEU  10           HG       LEU  10   4.999  -6.865 -15.469
  105   HD11  LEU  10          HD11      LEU  10   6.222  -7.641 -13.683
  106   HD12  LEU  10          HD12      LEU  10   4.693  -8.487 -13.450
  107   HD13  LEU  10          HD13      LEU  10   6.066  -9.329 -14.168
  108   HD21  LEU  10          HD21      LEU  10   6.994  -7.656 -16.430
  109   HD22  LEU  10          HD22      LEU  10   6.452  -9.334 -16.377
  110   HD23  LEU  10          HD23      LEU  10   5.712  -8.203 -17.511
  111    H    LYS  11           H        LYS  11   0.457  -6.660 -16.924
  112    HA   LYS  11           HA       LYS  11  -1.255  -8.717 -16.250
  113    HB2  LYS  11           HB2      LYS  11  -2.972  -7.519 -17.362
  114    HB3  LYS  11           HB3      LYS  11  -1.844  -6.307 -16.768
  115    HG2  LYS  11           HG2      LYS  11  -1.782  -7.367 -19.580
  116    HG3  LYS  11           HG3      LYS  11  -2.716  -5.950 -19.096
  117    HD2  LYS  11           HD2      LYS  11  -0.559  -4.996 -18.185
  118    HD3  LYS  11           HD3      LYS  11   0.271  -6.321 -19.004
  119    HE2  LYS  11           HE2      LYS  11   0.370  -4.497 -20.490
  120    HE3  LYS  11           HE3      LYS  11  -0.894  -5.552 -21.121
  121    HZ1  LYS  11           HZ1      LYS  11  -1.344  -3.047 -20.974
  122    HZ2  LYS  11           HZ2      LYS  11  -2.551  -4.108 -20.444
  123    HZ3  LYS  11           HZ3      LYS  11  -1.566  -3.316 -19.319
  124    H    LEU  12           H        LEU  12   0.560  -8.237 -19.185
  125    HA   LEU  12           HA       LEU  12   0.758  -9.444 -21.109
  126    HB2  LEU  12           HB2      LEU  12   0.064 -11.703 -19.237
  127    HB3  LEU  12           HB3      LEU  12   0.818 -11.873 -20.821
  128    HG   LEU  12           HG       LEU  12   2.224 -10.176 -18.839
  129   HD11  LEU  12          HD11      LEU  12   2.558 -11.722 -17.286
  130   HD12  LEU  12          HD12      LEU  12   1.321 -12.707 -18.066
  131   HD13  LEU  12          HD13      LEU  12   3.017 -12.916 -18.500
  132   HD21  LEU  12          HD21      LEU  12   2.895 -12.024 -21.087
  133   HD22  LEU  12          HD22      LEU  12   3.388 -10.352 -20.820
  134   HD23  LEU  12          HD23      LEU  12   4.114 -11.648 -19.870