*HEADER    DE NOVO PROTEIN                         13-MAR-03   1UAO              
*TITLE     NMR STRUCTURE OF DESIGNED PROTEIN, CHIGNOLIN, CONSISTING OF           
*TITLE    2 ONLY TEN AMINO ACIDS (ENSEMBLES)                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHIGNOLIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE WAS DESIGNED ON THE BASIS OF             
*SOURCE   4 STATISTICS DERIVED FROM NUMEROUS PROTEIN SEGMENTS.                   
*KEYWDS    DE NOVO PROTEIN, BETA-HAIRPIN, MINI-PROTEIN, G-PEPTIDE,               
*KEYWDS   2 AUTONOMOUS ELEMENT                                                   
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    S.HONDA, K.YAMASAKI                                                   
*REVDAT   1   13-APR-04 1UAO    0                                                

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Distance constraints
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
assign (resid   7 and name  N   )(resid    3 and name  O   ) 3.3 0.8 0.2  ! HBOND G07/NH
assign (resid   7 and name  HN  )(resid    3 and name  O   ) 2.3 0.8 0.2  ! HBOND G07/NH
assign (resid   1 and name HA#  )(resid    2 and name HN   ) 2.5 1.0 1.0  !  119
assign (resid   1 and name HA#  )(resid    9 and name HE3  ) 3.5 1.5 1.0  !  147
assign (resid   1 and name HA#  )(resid    9 and name HZ3  ) 3.5 1.5 1.0  !  167
assign (resid   2 and name HA   )(resid    2 and name HB1  ) 2.5 1.0 1.0  !  226
assign (resid   2 and name HA   )(resid    2 and name HB2  ) 2.5 1.0 1.0  !  239
assign (resid   2 and name HA   )(resid    2 and name HD#  ) 2.5 1.0 1.0  !  174
assign (resid   2 and name HA   )(resid    2 and name HE#  ) 5.0 2.5 1.0  !  344
assign (resid   2 and name HA   )(resid    2 and name HN   ) 3.5 1.5 1.0  !   53
assign (resid   2 and name HB1  )(resid    2 and name HD#  ) 2.5 1.0 1.0  !   92
assign (resid   2 and name HB1  )(resid    2 and name HN   ) 2.5 1.0 1.0  !   91
assign (resid   2 and name HB2  )(resid    2 and name HD#  ) 2.5 1.0 1.0  !  105
assign (resid   2 and name HB2  )(resid    2 and name HE#  ) 5.0 2.5 1.0  !  353
assign (resid   2 and name HB2  )(resid    2 and name HN   ) 2.5 1.0 1.0  !  102
assign (resid   2 and name HD#  )(resid    2 and name HN   ) 3.5 1.5 1.0  !  246
assign (resid   2 and name HA   )(resid    3 and name HN   ) 2.0 0.5 0.8  !  138
assign (resid   2 and name HB1  )(resid    3 and name HN   ) 5.0 2.5 1.0  !  133
assign (resid   2 and name HB2  )(resid    3 and name HN   ) 3.5 1.5 1.0  !   86
assign (resid   2 and name HD#  )(resid    3 and name HN   ) 3.5 1.5 1.0  !   34
assign (resid   2 and name HE#  )(resid    3 and name HA   ) 5.0 2.5 1.0  !  360
assign (resid   2 and name HE#  )(resid    3 and name HN   ) 5.0 2.5 1.0  !  252
assign (resid   2 and name HN   )(resid    3 and name HN   ) 5.0 2.5 1.0  !   14
assign (resid   2 and name HB1  )(resid    4 and name HD1  ) 3.5 1.5 1.0  !  276
assign (resid   2 and name HB2  )(resid    4 and name HD1  ) 5.0 2.5 1.0  !  318
assign (resid   2 and name HD#  )(resid    4 and name HA   ) 3.5 1.5 1.0  !  173
assign (resid   2 and name HD#  )(resid    4 and name HB1  ) 5.0 2.5 1.0  !  331
assign (resid   2 and name HD#  )(resid    4 and name HD1  ) 3.5 1.5 1.0  !  175
assign (resid   2 and name HD#  )(resid    4 and name HD2  ) 5.0 2.5 1.0  !  335
assign (resid   2 and name HD#  )(resid    4 and name HG#  ) 3.5 1.5 1.0  !  178
assign (resid   2 and name HE#  )(resid    4 and name HA   ) 2.5 1.0 1.0  !   59
assign (resid   2 and name HE#  )(resid    4 and name HB1  ) 3.5 1.5 1.0  !   90
assign (resid   2 and name HE#  )(resid    4 and name HB2  ) 3.5 1.5 1.0  !  100
assign (resid   2 and name HD#  )(resid    7 and name HN   ) 5.0 2.5 1.0  !  250
assign (resid   2 and name HE#  )(resid    7 and name HA1  ) 3.5 1.5 1.0  !  170
assign (resid   2 and name HE#  )(resid    7 and name HA2  ) 3.5 1.5 1.0  !   72
assign (resid   2 and name HE#  )(resid    7 and name HN   ) 5.0 2.5 1.0  !  254
assign (resid   2 and name HD#  )(resid    8 and name HA   ) 5.0 2.5 1.0  !  291
assign (resid   2 and name HE#  )(resid    8 and name HA   ) 3.5 1.5 1.0  !  274
assign (resid   2 and name HE#  )(resid    8 and name HN   ) 5.0 2.5 1.0  !  294
assign (resid   2 and name HA   )(resid    9 and name HA   ) 3.5 1.5 1.0  !  180
assign (resid   2 and name HA   )(resid    9 and name HE3  ) 3.5 1.5 1.0  !   56
assign (resid   2 and name HB1  )(resid    9 and name HZ3  ) 5.0 2.5 1.0  !  264
assign (resid   2 and name HB2  )(resid    9 and name HA   ) 5.0 2.5 1.0  !  225
assign (resid   2 and name HB2  )(resid    9 and name HE1  ) 5.0 2.5 1.0  !  350
assign (resid   2 and name HB2  )(resid    9 and name HE3  ) 5.0 2.5 1.0  !  109
assign (resid   2 and name HB2  )(resid    9 and name HH2  ) 3.5 1.5 1.0  !  263
assign (resid   2 and name HB2  )(resid    9 and name HZ2  ) 5.0 2.5 1.0  !  286
assign (resid   2 and name HB2  )(resid    9 and name HZ3  ) 3.5 1.5 1.0  !  104
assign (resid   2 and name HD#  )(resid    9 and name HA   ) 3.5 1.5 1.0  !  176
assign (resid   2 and name HD#  )(resid    9 and name HB1  ) 5.0 2.5 1.0  !  334
assign (resid   2 and name HD#  )(resid    9 and name HB2  ) 5.0 2.5 1.0  !  332
assign (resid   2 and name HD#  )(resid    9 and name HD1  ) 3.5 1.5 1.0  !   24
assign (resid   2 and name HD#  )(resid    9 and name HE1  ) 3.5 1.5 1.0  !    3
assign (resid   2 and name HD#  )(resid    9 and name HE3  ) 5.0 2.5 1.0  !  363
assign (resid   2 and name HD#  )(resid    9 and name HH2  ) 5.0 2.5 1.0  !  314
assign (resid   2 and name HD#  )(resid    9 and name HN   ) 5.0 2.5 1.0  !  247
assign (resid   2 and name HD#  )(resid    9 and name HZ2  ) 5.0 2.5 1.0  !  312
assign (resid   2 and name HD#  )(resid    9 and name HZ3  ) 5.0 2.5 1.0  !  355
assign (resid   2 and name HE#  )(resid    9 and name HB2  ) 5.0 2.5 1.0  !  358
assign (resid   2 and name HE#  )(resid    9 and name HD1  ) 5.0 2.5 1.0  !  356
assign (resid   2 and name HE#  )(resid    9 and name HE1  ) 5.0 2.5 1.0  !    2
assign (resid   2 and name HE#  )(resid    9 and name HN   ) 5.0 2.5 1.0  !  253
assign (resid   2 and name HN   )(resid    9 and name HE3  ) 5.0 2.5 1.0  !   11
assign (resid   2 and name HN   )(resid    9 and name HZ3  ) 5.0 2.5 1.0  !   27
assign (resid   3 and name HA   )(resid    3 and name HB1  ) 3.5 1.5 1.0  !  298
assign (resid   3 and name HA   )(resid    3 and name HB2  ) 3.5 1.5 1.0  !  217
assign (resid   3 and name HA   )(resid    3 and name HN   ) 3.5 1.5 1.0  !  141
assign (resid   3 and name HB1  )(resid    3 and name HN   ) 2.5 1.0 1.0  !  143
assign (resid   3 and name HB2  )(resid    3 and name HN   ) 2.5 1.0 1.0  !  145
assign (resid   3 and name HA   )(resid    4 and name HD1  ) 3.5 1.5 1.0  !  198
assign (resid   3 and name HA   )(resid    4 and name HD2  ) 3.5 1.5 1.0  !  214
assign (resid   3 and name HB1  )(resid    4 and name HD2  ) 5.0 2.5 1.0  !  282
assign (resid   3 and name HB2  )(resid    4 and name HD1  ) 5.0 2.5 1.0  !  295
assign (resid   3 and name HN   )(resid    4 and name HD1  ) 5.0 2.5 1.0  !  266
assign (resid   3 and name HA   )(resid    5 and name HN   ) 3.5 1.5 1.0  !  309
assign (resid   3 and name HB1  )(resid    5 and name HN   ) 5.0 2.5 1.0  !   70
assign (resid   3 and name HB1  )(resid    6 and name HG2# ) 3.5 1.5 1.0  !  221
assign (resid   3 and name HB1  )(resid    6 and name HN   ) 3.5 1.5 1.0  !   84
assign (resid   3 and name HB2  )(resid    6 and name HN   ) 5.0 2.5 1.0  !  111
assign (resid   3 and name HN   )(resid    6 and name HG2# ) 5.0 2.5 1.0  !   89
assign (resid   3 and name HB1  )(resid    7 and name HN   ) 3.5 1.5 1.0  !   95
assign (resid   3 and name HB2  )(resid    7 and name HN   ) 5.0 2.5 1.0  !  144
assign (resid   3 and name HB1  )(resid    8 and name HB   ) 5.0 2.5 1.0  !  281
assign (resid   3 and name HB1  )(resid    8 and name HN   ) 3.5 1.5 1.0  !  156
assign (resid   3 and name HB2  )(resid    8 and name HN   ) 5.0 2.5 1.0  !  338
assign (resid   3 and name HN   )(resid    8 and name HN   ) 3.5 1.5 1.0  !   15
assign (resid   4 and name HA   )(resid    4 and name HB1  ) 2.5 1.0 1.0  !  196
assign (resid   4 and name HA   )(resid    4 and name HB2  ) 2.5 1.0 1.0  !  197
assign (resid   4 and name HB1  )(resid    4 and name HD1  ) 3.5 1.5 1.0  !  275
assign (resid   4 and name HB1  )(resid    4 and name HD2  ) 3.5 1.5 1.0  !  277
assign (resid   4 and name HB1  )(resid    4 and name HG#  ) 2.0 0.5 0.8  !  222
assign (resid   4 and name HD1  )(resid    4 and name HG#  ) 2.5 1.0 1.0  !  236
assign (resid   4 and name HD2  )(resid    4 and name HG#  ) 2.5 1.0 1.0  !  190
assign (resid   4 and name HA   )(resid    5 and name HN   ) 3.5 1.5 1.0  !   58
assign (resid   4 and name HB1  )(resid    5 and name HN   ) 5.0 2.5 1.0  !  337
assign (resid   4 and name HB2  )(resid    5 and name HA   ) 5.0 2.5 1.0  !  316
assign (resid   4 and name HB2  )(resid    5 and name HN   ) 3.5 1.5 1.0  !  136
assign (resid   4 and name HD1  )(resid    5 and name HN   ) 5.0 2.5 1.0  !  131
assign (resid   4 and name HD2  )(resid    5 and name HN   ) 3.5 1.5 1.0  !   65
assign (resid   4 and name HG#  )(resid    5 and name HA   ) 5.0 2.5 1.0  !  378
assign (resid   4 and name HG#  )(resid    5 and name HN   ) 3.5 1.5 1.0  !  315
assign (resid   4 and name HA   )(resid    6 and name HN   ) 5.0 2.5 1.0  !  289
assign (resid   4 and name HA   )(resid    7 and name HN   ) 3.5 1.5 1.0  !  265
assign (resid   5 and name HA   )(resid    5 and name HB#  ) 2.5 1.0 1.0  !  189
assign (resid   5 and name HA   )(resid    5 and name HG#  ) 3.5 1.5 1.0  !  279
assign (resid   5 and name HA   )(resid    5 and name HN   ) 2.5 1.0 1.0  !  128
assign (resid   5 and name HB#  )(resid    5 and name HG#  ) 2.0 0.5 0.8  !  219
assign (resid   5 and name HB#  )(resid    5 and name HN   ) 2.5 1.0 1.0  !   55
assign (resid   5 and name HG#  )(resid    5 and name HN   ) 3.5 1.5 1.0  !   64
assign (resid   5 and name HA   )(resid    6 and name HN   ) 3.5 1.5 1.0  !  163
assign (resid   5 and name HB#  )(resid    6 and name HG2# ) 5.0 2.5 1.0  !  323
assign (resid   5 and name HB#  )(resid    6 and name HN   ) 2.5 1.0 1.0  !   96
assign (resid   5 and name HG#  )(resid    6 and name HN   ) 5.0 2.5 1.0  !  354
assign (resid   5 and name HN   )(resid    6 and name HG2# ) 5.0 2.5 1.0  !   99
assign (resid   5 and name HN   )(resid    6 and name HN   ) 2.5 1.0 1.0  !   12
assign (resid   5 and name HA   )(resid    7 and name HN   ) 5.0 2.5 1.0  !  336
assign (resid   5 and name HB#  )(resid    7 and name HN   ) 5.0 2.5 1.0  !   93
assign (resid   6 and name HA   )(resid    6 and name HG2# ) 2.5 1.0 1.0  !  242
assign (resid   6 and name HA   )(resid    6 and name HN   ) 3.5 1.5 1.0  !   46
assign (resid   6 and name HB   )(resid    6 and name HG2# ) 2.5 1.0 1.0  !  243
assign (resid   6 and name HB   )(resid    6 and name HN   ) 3.5 1.5 1.0  !   48
assign (resid   6 and name HG2# )(resid    6 and name HN   ) 3.5 1.5 1.0  !  110
assign (resid   6 and name HA   )(resid    7 and name HN   ) 3.5 1.5 1.0  !   45
assign (resid   6 and name HB   )(resid    7 and name HN   ) 3.5 1.5 1.0  !  123
assign (resid   6 and name HG2# )(resid    7 and name HA1  ) 5.0 2.5 1.0  !  329
assign (resid   6 and name HG2# )(resid    7 and name HA2  ) 5.0 2.5 1.0  !  330
assign (resid   6 and name HG2# )(resid    7 and name HN   ) 5.0 2.5 1.0  !  127
assign (resid   6 and name HN   )(resid    7 and name HA2  ) 5.0 2.5 1.0  !  371
assign (resid   6 and name HN   )(resid    7 and name HN   ) 2.5 1.0 1.0  !   25
assign (resid   6 and name HB   )(resid    8 and name HN   ) 5.0 2.5 1.0  !  162
assign (resid   7 and name HA1  )(resid    7 and name HN   ) 2.5 1.0 1.0  !   60
assign (resid   7 and name HA2  )(resid    7 and name HN   ) 2.5 1.0 1.0  !   74
assign (resid   7 and name HA1  )(resid    8 and name HN   ) 3.5 1.5 1.0  !   62
assign (resid   7 and name HA2  )(resid    8 and name HN   ) 3.5 1.5 1.0  !   71
assign (resid   7 and name HN   )(resid    8 and name HN   ) 2.5 1.0 1.0  !    8
assign (resid   8 and name HA   )(resid    8 and name HB   ) 3.5 1.5 1.0  !  182
assign (resid   8 and name HA   )(resid    8 and name HG2# ) 3.5 1.5 1.0  !  183
assign (resid   8 and name HA   )(resid    8 and name HN   ) 2.5 1.0 1.0  !  152
assign (resid   8 and name HB   )(resid    8 and name HG2# ) 2.5 1.0 1.0  !  187
assign (resid   8 and name HB   )(resid    8 and name HN   ) 3.5 1.5 1.0  !   50
assign (resid   8 and name HG2# )(resid    8 and name HN   ) 3.5 1.5 1.0  !  108
assign (resid   8 and name HA   )(resid    9 and name HB2  ) 5.0 2.5 1.0  !  327
assign (resid   8 and name HA   )(resid    9 and name HD1  ) 5.0 2.5 1.0  !   44
assign (resid   8 and name HA   )(resid    9 and name HE3  ) 5.0 2.5 1.0  !  367
assign (resid   8 and name HA   )(resid    9 and name HN   ) 2.5 1.0 1.0  !  113
assign (resid   8 and name HB   )(resid    9 and name HB2  ) 5.0 2.5 1.0  !  280
assign (resid   8 and name HB   )(resid    9 and name HN   ) 2.5 1.0 1.0  !   49
assign (resid   8 and name HG2# )(resid    9 and name HB2  ) 5.0 2.5 1.0  !  320
assign (resid   8 and name HG2# )(resid    9 and name HD1  ) 5.0 2.5 1.0  !  379
assign (resid   8 and name HG2# )(resid    9 and name HN   ) 3.5 1.5 1.0  !  106
assign (resid   8 and name HN   )(resid    9 and name HN   ) 3.5 1.5 1.0  !    9
assign (resid   8 and name HB   )(resid   10 and name HN   ) 5.0 2.5 1.0  !  345
assign (resid   9 and name HA   )(resid    9 and name HB1  ) 3.5 1.5 1.0  !  210
assign (resid   9 and name HA   )(resid    9 and name HB2  ) 3.5 1.5 1.0  !  213
assign (resid   9 and name HA   )(resid    9 and name HD1  ) 5.0 2.5 1.0  !  271
assign (resid   9 and name HA   )(resid    9 and name HE3  ) 3.5 1.5 1.0  !   41
assign (resid   9 and name HA   )(resid    9 and name HN   ) 3.5 1.5 1.0  !   39
assign (resid   9 and name HB1  )(resid    9 and name HD1  ) 3.5 1.5 1.0  !   80
assign (resid   9 and name HB1  )(resid    9 and name HE3  ) 2.5 1.0 1.0  !   78
assign (resid   9 and name HB1  )(resid    9 and name HN   ) 3.5 1.5 1.0  !   79
assign (resid   9 and name HB1  )(resid    9 and name HZ3  ) 5.0 2.5 1.0  !  375
assign (resid   9 and name HB2  )(resid    9 and name HD1  ) 3.5 1.5 1.0  !  159
assign (resid   9 and name HB2  )(resid    9 and name HE1  ) 5.0 2.5 1.0  !  248
assign (resid   9 and name HB2  )(resid    9 and name HE3  ) 3.5 1.5 1.0  !   82
assign (resid   9 and name HB2  )(resid    9 and name HN   ) 2.5 1.0 1.0  !   81
assign (resid   9 and name HD1  )(resid    9 and name HN   ) 3.5 1.5 1.0  !    6
assign (resid   9 and name HE3  )(resid    9 and name HN   ) 3.5 1.5 1.0  !    5
assign (resid   9 and name HA   )(resid   10 and name HN   ) 2.5 1.0 1.0  !  137
assign (resid   9 and name HB1  )(resid   10 and name HN   ) 3.5 1.5 1.0  !  142
assign (resid   9 and name HB2  )(resid   10 and name HN   ) 5.0 2.5 1.0  !   75
assign (resid   9 and name HE3  )(resid   10 and name HN   ) 5.0 2.5 1.0  !  262
assign (resid   9 and name HN   )(resid   10 and name HN   ) 3.5 1.5 1.0  !    4
assign (resid  10 and name HA#  )(resid   10 and name HN   ) 2.5 1.0 1.0  !   76

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Dihedral Angle constraints
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
!! Chi1
!! Y02
assign (resid   2 and name n ) (resid   2 and name ca)
       (resid   2 and name cb) (resid   2 and name cg)  1.0  180.0 60.0 2
!! D03
assign (resid   3 and name n ) (resid   3 and name ca)
       (resid   3 and name cb) (resid   3 and name cg)  1.0  180.0 60.0 2
!! T06
assign (resid   6 and name n ) (resid   6 and name ca)
       (resid   6 and name cb)
       (resid   6 and name cg or resid   6 and name og)  1.0   60.0 60.0 2
!! T08
assign (resid   8 and name n ) (resid   8 and name ca)
       (resid   8 and name cb)
       (resid   8 and name cg or resid   8 and name og)  1.0   60.0 60.0 2
!! W09
assign (resid   9 and name n ) (resid   9 and name ca)
       (resid   9 and name cb) (resid   9 and name cg)  1.0  -60.0 60.0 2

!! Phi
 !!    2
assign (resid   1 and name c ) (resid   2 and name n )
       (resid   2 and name ca) (resid   2 and name c )  1.0 -120.0 70.0 2
 !!    3
assign (resid   2 and name c ) (resid   3 and name n )
       (resid   3 and name ca) (resid   3 and name c )  1.0 -120.0  50.0 2
 !!    5
assign (resid   4 and name c ) (resid   5 and name n )
       (resid   5 and name ca) (resid   5 and name c )  1.0  -120.0  70.0 2
 !!    6
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )  1.0 -120.0  40.0 2
 !!    7
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )  1.0   90.0  80.0 2
 !!    8
assign (resid   7 and name c ) (resid   8 and name n )
       (resid   8 and name ca) (resid   8 and name c )  1.0 -120.0  40.0 2
 !!    9
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )  1.0 -120.0  50.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -5.778  -1.527   4.462
    2   2H    GLY   1          2H        GLY   1  -7.214  -2.365   4.112
    3   3H    GLY   1          3H        GLY   1  -7.273  -0.879   4.933
    4   1HA   GLY   1          2HA       GLY   1  -7.677  -1.140   2.309
    5   2HA   GLY   1          1HA       GLY   1  -7.085   0.336   3.073
    6    H    TYR   2           H        TYR   2  -6.203   0.317   0.660
    7    HA   TYR   2           HA       TYR   2  -3.763  -1.288   0.328
    8   1HB   TYR   2          2HB       TYR   2  -5.189  -0.788  -1.616
    9   2HB   TYR   2          1HB       TYR   2  -4.918   0.937  -1.380
   10    HD1  TYR   2           HD1      TYR   2  -3.352  -2.273  -2.332
   11    HD2  TYR   2           HD2      TYR   2  -2.811   1.973  -1.975
   12    HE1  TYR   2           HE1      TYR   2  -1.265  -2.429  -3.660
   13    HE2  TYR   2           HE2      TYR   2  -0.722   1.818  -3.303
   14    HH   TYR   2           HH       TYR   2   0.765   0.437  -4.234
   15    H    ASP   3           H        ASP   3  -2.259  -0.588   1.846
   16    HA   ASP   3           HA       ASP   3  -1.795   2.207   2.427
   17   1HB   ASP   3          2HB       ASP   3  -1.224   0.346   3.997
   18   2HB   ASP   3          1HB       ASP   3   0.055  -0.151   2.889
   19    HA   PRO   4           HA       PRO   4   0.567   2.732  -1.353
   20   1HB   PRO   4          2HB       PRO   4   0.750   5.467  -1.123
   21   2HB   PRO   4          1HB       PRO   4  -0.670   4.630  -1.773
   22   1HG   PRO   4          2HG       PRO   4  -0.308   5.921   0.895
   23   2HG   PRO   4          1HG       PRO   4  -1.792   5.679  -0.042
   24   1HD   PRO   4          2HD       PRO   4  -0.977   4.125   2.167
   25   2HD   PRO   4          1HD       PRO   4  -2.232   3.677   0.991
   26    H    GLU   5           H        GLU   5   1.397   3.406   1.904
   27    HA   GLU   5           HA       GLU   5   3.944   4.648   1.600
   28   1HB   GLU   5          2HB       GLU   5   2.537   4.084   3.756
   29   2HB   GLU   5          1HB       GLU   5   3.457   2.580   3.727
   30   1HG   GLU   5          2HG       GLU   5   5.147   4.918   3.267
   31   2HG   GLU   5          1HG       GLU   5   4.318   4.985   4.823
   32    H    THR   6           H        THR   6   2.944   1.248   1.514
   33    HA   THR   6           HA       THR   6   5.729   0.510   0.729
   34    HB   THR   6           HB       THR   6   5.248  -1.709   1.456
   35    HG1  THR   6           HG1      THR   6   3.211  -2.440   1.757
   36   1HG2  THR   6          1HG2      THR   6   5.309   0.265   3.208
   37   2HG2  THR   6          2HG2      THR   6   4.906  -1.371   3.728
   38   3HG2  THR   6          3HG2      THR   6   3.625  -0.188   3.464
   39    H    GLY   7           H        GLY   7   2.450   0.749  -0.363
   40   1HA   GLY   7          2HA       GLY   7   1.808   0.760  -2.670
   41   2HA   GLY   7          1HA       GLY   7   3.323  -0.049  -3.071
   42    H    THR   8           H        THR   8   1.108  -1.125  -0.531
   43    HA   THR   8           HA       THR   8  -0.073  -3.195  -2.224
   44    HB   THR   8           HB       THR   8   1.018  -4.825  -0.273
   45    HG1  THR   8           HG1      THR   8   3.275  -4.296  -0.450
   46   1HG2  THR   8          1HG2      THR   8   0.813  -5.501  -2.562
   47   2HG2  THR   8          2HG2      THR   8   2.533  -5.563  -2.176
   48   3HG2  THR   8          3HG2      THR   8   1.885  -4.210  -3.104
   49    H    TRP   9           H        TRP   9  -1.532  -4.627  -0.892
   50    HA   TRP   9           HA       TRP   9  -3.075  -3.047   0.957
   51   1HB   TRP   9          2HB       TRP   9  -3.295  -6.041   0.800
   52   2HB   TRP   9          1HB       TRP   9  -4.575  -4.843   0.980
   53    HD1  TRP   9           HD1      TRP   9  -2.478  -6.628  -1.618
   54    HE1  TRP   9           HE1      TRP   9  -3.364  -6.042  -3.968
   55    HE3  TRP   9           HE3      TRP   9  -5.766  -2.927  -0.422
   56    HZ2  TRP   9           HZ2      TRP   9  -5.228  -4.248  -5.180
   57    HZ3  TRP   9           HZ3      TRP   9  -7.093  -1.796  -2.187
   58    HH2  TRP   9           HH2      TRP   9  -6.827  -2.451  -4.564
   59    H    GLY  10           HN       GLY  10  -2.159  -2.553   2.918
   60   1HA   GLY  10          2HA       GLY  10  -0.169  -3.939   4.305
   61   2HA   GLY  10          1HA       GLY  10  -1.387  -2.946   5.106
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -6.981  -2.584   3.026
    2   2H    GLY   1          2H        GLY   1  -8.526  -1.930   3.292
    3   3H    GLY   1          3H        GLY   1  -7.282  -1.664   4.419
    4   1HA   GLY   1          2HA       GLY   1  -7.891  -0.262   1.984
    5   2HA   GLY   1          1HA       GLY   1  -6.954   0.268   3.382
    6    H    TYR   2           H        TYR   2  -6.118   0.776   0.728
    7    HA   TYR   2           HA       TYR   2  -3.973  -1.199   0.187
    8   1HB   TYR   2          2HB       TYR   2  -5.278  -0.364  -1.727
    9   2HB   TYR   2          1HB       TYR   2  -4.819   1.290  -1.330
   10    HD1  TYR   2           HD1      TYR   2  -3.481  -2.033  -2.358
   11    HD2  TYR   2           HD2      TYR   2  -2.719   2.182  -1.996
   12    HE1  TYR   2           HE1      TYR   2  -1.398  -2.295  -3.673
   13    HE2  TYR   2           HE2      TYR   2  -0.631   1.918  -3.307
   14    HH   TYR   2           HH       TYR   2   0.171   0.120  -5.136
   15    H    ASP   3           H        ASP   3  -2.174  -0.885   1.423
   16    HA   ASP   3           HA       ASP   3  -1.462   1.742   2.464
   17   1HB   ASP   3          2HB       ASP   3  -1.007  -0.440   3.648
   18   2HB   ASP   3          1HB       ASP   3   0.225  -0.773   2.430
   19    HA   PRO   4           HA       PRO   4   0.761   2.614  -1.342
   20   1HB   PRO   4          2HB       PRO   4   1.085   5.287  -0.802
   21   2HB   PRO   4          1HB       PRO   4  -0.403   4.599  -1.472
   22   1HG   PRO   4          2HG       PRO   4   0.132   5.569   1.295
   23   2HG   PRO   4          1HG       PRO   4  -1.404   5.463   0.420
   24   1HD   PRO   4          2HD       PRO   4  -0.487   3.652   2.400
   25   2HD   PRO   4          1HD       PRO   4  -1.862   3.401   1.305
   26    H    GLU   5           H        GLU   5   1.721   3.377   1.959
   27    HA   GLU   5           HA       GLU   5   4.337   4.321   1.595
   28   1HB   GLU   5          2HB       GLU   5   2.889   2.865   3.721
   29   2HB   GLU   5          1HB       GLU   5   4.642   2.669   3.756
   30   1HG   GLU   5          2HG       GLU   5   4.603   4.635   4.904
   31   2HG   GLU   5          1HG       GLU   5   4.432   5.354   3.303
   32    H    THR   6           H        THR   6   3.185   0.948   1.619
   33    HA   THR   6           HA       THR   6   5.899   0.063   0.784
   34    HB   THR   6           HB       THR   6   5.140  -2.186   1.295
   35    HG1  THR   6           HG1      THR   6   2.874  -2.192   2.226
   36   1HG2  THR   6          1HG2      THR   6   4.589  -1.923   3.677
   37   2HG2  THR   6          2HG2      THR   6   4.169  -0.233   3.399
   38   3HG2  THR   6          3HG2      THR   6   5.836  -0.772   3.197
   39    H    GLY   7           H        GLY   7   2.735   0.658  -0.456
   40   1HA   GLY   7          2HA       GLY   7   2.222   0.769  -2.796
   41   2HA   GLY   7          1HA       GLY   7   3.647  -0.217  -3.129
   42    H    THR   8           H        THR   8   1.461  -1.196  -0.604
   43    HA   THR   8           HA       THR   8  -0.117  -2.957  -2.320
   44    HB   THR   8           HB       THR   8   0.970  -4.836  -0.569
   45    HG1  THR   8           HG1      THR   8   3.157  -4.591  -0.757
   46   1HG2  THR   8          1HG2      THR   8   1.800  -4.296  -3.432
   47   2HG2  THR   8          2HG2      THR   8   0.295  -5.091  -2.970
   48   3HG2  THR   8          3HG2      THR   8   1.844  -5.848  -2.593
   49    H    TRP   9           H        TRP   9  -1.475  -4.464  -0.840
   50    HA   TRP   9           HA       TRP   9  -2.778  -2.837   1.142
   51   1HB   TRP   9          2HB       TRP   9  -3.082  -5.825   1.018
   52   2HB   TRP   9          1HB       TRP   9  -4.309  -4.601   1.337
   53    HD1  TRP   9           HD1      TRP   9  -2.525  -6.403  -1.480
   54    HE1  TRP   9           HE1      TRP   9  -3.668  -5.814  -3.714
   55    HE3  TRP   9           HE3      TRP   9  -5.625  -2.688   0.085
   56    HZ2  TRP   9           HZ2      TRP   9  -5.651  -4.001  -4.704
   57    HZ3  TRP   9           HZ3      TRP   9  -7.141  -1.543  -1.512
   58    HH2  TRP   9           HH2      TRP   9  -7.154  -2.195  -3.904
   59    H    GLY  10           HN       GLY  10  -1.678  -2.369   3.015
   60   1HA   GLY  10          2HA       GLY  10   0.046  -4.434   4.247
   61   2HA   GLY  10          1HA       GLY  10  -0.073  -2.750   4.760
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -9.035  -0.887   2.684
    2   2H    GLY   1          2H        GLY   1  -7.967  -2.025   2.011
    3   3H    GLY   1          3H        GLY   1  -8.230  -0.538   1.233
    4   1HA   GLY   1          2HA       GLY   1  -7.184   0.652   3.031
    5   2HA   GLY   1          1HA       GLY   1  -6.967  -0.868   3.900
    6    H    TYR   2           H        TYR   2  -6.209   0.607   0.730
    7    HA   TYR   2           HA       TYR   2  -3.957  -1.238   0.348
    8   1HB   TYR   2          2HB       TYR   2  -5.247  -0.485  -1.600
    9   2HB   TYR   2          1HB       TYR   2  -4.851   1.192  -1.232
   10    HD1  TYR   2           HD1      TYR   2  -3.428  -2.082  -2.290
   11    HD2  TYR   2           HD2      TYR   2  -2.723   2.132  -1.790
   12    HE1  TYR   2           HE1      TYR   2  -1.324  -2.274  -3.587
   13    HE2  TYR   2           HE2      TYR   2  -0.615   1.930  -3.080
   14    HH   TYR   2           HH       TYR   2   0.522   0.558  -4.537
   15    H    ASP   3           H        ASP   3  -2.177  -0.863   1.604
   16    HA   ASP   3           HA       ASP   3  -1.509   1.780   2.598
   17   1HB   ASP   3          2HB       ASP   3  -0.942  -0.575   3.597
   18   2HB   ASP   3          1HB       ASP   3   0.447  -0.502   2.512
   19    HA   PRO   4           HA       PRO   4   0.561   2.768  -1.263
   20   1HB   PRO   4          2HB       PRO   4   0.900   5.429  -0.655
   21   2HB   PRO   4          1HB       PRO   4  -0.608   4.753  -1.297
   22   1HG   PRO   4          2HG       PRO   4   0.027   5.621   1.488
   23   2HG   PRO   4          1HG       PRO   4  -1.537   5.574   0.655
   24   1HD   PRO   4          2HD       PRO   4  -0.625   3.682   2.540
   25   2HD   PRO   4          1HD       PRO   4  -1.993   3.460   1.427
   26    H    GLU   5           H        GLU   5   1.654   3.499   2.014
   27    HA   GLU   5           HA       GLU   5   4.321   4.309   1.381
   28   1HB   GLU   5          2HB       GLU   5   3.095   2.997   3.816
   29   2HB   GLU   5          1HB       GLU   5   4.806   3.421   3.744
   30   1HG   GLU   5          2HG       GLU   5   2.963   5.567   2.890
   31   2HG   GLU   5          1HG       GLU   5   2.848   5.127   4.594
   32    H    THR   6           H        THR   6   2.819   1.134   1.784
   33    HA   THR   6           HA       THR   6   5.430  -0.194   1.311
   34    HB   THR   6           HB       THR   6   2.701  -1.425   1.811
   35    HG1  THR   6           HG1      THR   6   3.853  -0.041   3.482
   36   1HG2  THR   6          1HG2      THR   6   5.225  -2.830   2.472
   37   2HG2  THR   6          2HG2      THR   6   4.890  -2.630   0.752
   38   3HG2  THR   6          3HG2      THR   6   3.729  -3.463   1.785
   39    H    GLY   7           H        GLY   7   2.635   0.843  -0.381
   40   1HA   GLY   7          2HA       GLY   7   2.214   0.759  -2.702
   41   2HA   GLY   7          1HA       GLY   7   3.695  -0.181  -2.895
   42    H    THR   8           H        THR   8   1.477  -1.316  -0.518
   43    HA   THR   8           HA       THR   8  -0.022  -3.054  -2.324
   44    HB   THR   8           HB       THR   8   1.084  -5.012  -0.729
   45    HG1  THR   8           HG1      THR   8   3.316  -3.690  -1.718
   46   1HG2  THR   8          1HG2      THR   8   2.245  -4.233  -3.403
   47   2HG2  THR   8          2HG2      THR   8   0.611  -4.881  -3.257
   48   3HG2  THR   8          3HG2      THR   8   1.994  -5.852  -2.749
   49    H    TRP   9           H        TRP   9  -1.331  -4.674  -0.934
   50    HA   TRP   9           HA       TRP   9  -2.701  -3.202   1.119
   51   1HB   TRP   9          2HB       TRP   9  -2.872  -6.191   0.770
   52   2HB   TRP   9          1HB       TRP   9  -4.145  -5.061   1.234
   53    HD1  TRP   9           HD1      TRP   9  -2.394  -6.522  -1.785
   54    HE1  TRP   9           HE1      TRP   9  -3.599  -5.737  -3.925
   55    HE3  TRP   9           HE3      TRP   9  -5.495  -3.034   0.212
   56    HZ2  TRP   9           HZ2      TRP   9  -5.629  -3.859  -4.683
   57    HZ3  TRP   9           HZ3      TRP   9  -7.065  -1.754  -1.223
   58    HH2  TRP   9           HH2      TRP   9  -7.131  -2.161  -3.670
   59    H    GLY  10           HN       GLY  10  -1.765  -2.837   3.082
   60   1HA   GLY  10          2HA       GLY  10  -0.383  -5.142   4.395
   61   2HA   GLY  10          1HA       GLY  10   0.269  -3.506   4.495
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -6.679   0.990   2.893
    2   2H    GLY   1          2H        GLY   1  -6.185   0.397   4.406
    3   3H    GLY   1          3H        GLY   1  -7.830   0.389   3.983
    4   1HA   GLY   1          2HA       GLY   1  -6.666  -1.817   3.836
    5   2HA   GLY   1          1HA       GLY   1  -7.538  -1.300   2.392
    6    H    TYR   2           H        TYR   2  -6.077   0.180   0.914
    7    HA   TYR   2           HA       TYR   2  -3.637  -1.392   0.384
    8   1HB   TYR   2          2HB       TYR   2  -5.122  -0.802  -1.497
    9   2HB   TYR   2          1HB       TYR   2  -4.871   0.911  -1.155
   10    HD1  TYR   2           HD1      TYR   2  -3.194  -2.226  -2.224
   11    HD2  TYR   2           HD2      TYR   2  -2.867   2.038  -1.819
   12    HE1  TYR   2           HE1      TYR   2  -1.113  -2.257  -3.571
   13    HE2  TYR   2           HE2      TYR   2  -0.786   2.009  -3.166
   14    HH   TYR   2           HH       TYR   2   0.545   0.760  -4.461
   15    H    ASP   3           H        ASP   3  -1.986  -0.761   1.745
   16    HA   ASP   3           HA       ASP   3  -1.604   1.999   2.553
   17   1HB   ASP   3          2HB       ASP   3  -0.810  -0.219   3.714
   18   2HB   ASP   3          1HB       ASP   3   0.582  -0.060   2.643
   19    HA   PRO   4           HA       PRO   4   0.393   2.955  -1.346
   20   1HB   PRO   4          2HB       PRO   4   0.608   5.650  -0.843
   21   2HB   PRO   4          1HB       PRO   4  -0.871   4.876  -1.438
   22   1HG   PRO   4          2HG       PRO   4  -0.239   5.858   1.315
   23   2HG   PRO   4          1HG       PRO   4  -1.808   5.737   0.499
   24   1HD   PRO   4          2HD       PRO   4  -0.848   3.933   2.428
   25   2HD   PRO   4          1HD       PRO   4  -2.178   3.611   1.293
   26    H    GLU   5           H        GLU   5   1.514   3.776   1.891
   27    HA   GLU   5           HA       GLU   5   4.153   4.658   1.126
   28   1HB   GLU   5          2HB       GLU   5   3.261   5.155   3.356
   29   2HB   GLU   5          1HB       GLU   5   3.153   3.431   3.718
   30   1HG   GLU   5          2HG       GLU   5   5.266   3.519   4.490
   31   2HG   GLU   5          1HG       GLU   5   5.801   3.867   2.846
   32    H    THR   6           H        THR   6   2.619   1.566   1.461
   33    HA   THR   6           HA       THR   6   5.250   0.182   1.224
   34    HB   THR   6           HB       THR   6   2.756  -1.398   1.546
   35    HG1  THR   6           HG1      THR   6   2.385   0.381   2.917
   36   1HG2  THR   6          1HG2      THR   6   5.236  -2.158   1.584
   37   2HG2  THR   6          2HG2      THR   6   4.155  -2.793   2.826
   38   3HG2  THR   6          3HG2      THR   6   5.265  -1.477   3.210
   39    H    GLY   7           H        GLY   7   2.399   1.051  -0.492
   40   1HA   GLY   7          2HA       GLY   7   1.880   0.773  -2.769
   41   2HA   GLY   7          1HA       GLY   7   3.447  -0.012  -2.973
   42    H    THR   8           H        THR   8   1.248  -1.205  -0.541
   43    HA   THR   8           HA       THR   8   0.069  -3.228  -2.292
   44    HB   THR   8           HB       THR   8   1.298  -4.860  -0.379
   45    HG1  THR   8           HG1      THR   8   3.269  -3.266  -1.609
   46   1HG2  THR   8          1HG2      THR   8   2.152  -5.963  -2.248
   47   2HG2  THR   8          2HG2      THR   8   2.464  -4.459  -3.116
   48   3HG2  THR   8          3HG2      THR   8   0.813  -5.057  -2.953
   49    H    TRP   9           H        TRP   9  -1.327  -4.736  -1.008
   50    HA   TRP   9           HA       TRP   9  -2.847  -3.292   0.962
   51   1HB   TRP   9          2HB       TRP   9  -2.990  -6.278   0.607
   52   2HB   TRP   9          1HB       TRP   9  -4.297  -5.142   0.939
   53    HD1  TRP   9           HD1      TRP   9  -2.273  -6.647  -1.883
   54    HE1  TRP   9           HE1      TRP   9  -3.276  -5.900  -4.137
   55    HE3  TRP   9           HE3      TRP   9  -5.586  -3.150  -0.248
   56    HZ2  TRP   9           HZ2      TRP   9  -5.238  -4.063  -5.118
   57    HZ3  TRP   9           HZ3      TRP   9  -7.021  -1.913  -1.852
   58    HH2  TRP   9           HH2      TRP   9  -6.847  -2.365  -4.286
   59    H    GLY  10           HN       GLY  10  -3.406  -5.105   2.970
   60   1HA   GLY  10          2HA       GLY  10  -1.515  -6.571   4.276
   61   2HA   GLY  10          1HA       GLY  10  -0.957  -4.925   4.582
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -8.669  -1.182   2.922
    2   2H    GLY   1          2H        GLY   1  -8.127  -1.137   1.312
    3   3H    GLY   1          3H        GLY   1  -9.352  -0.080   1.830
    4   1HA   GLY   1          2HA       GLY   1  -7.746   1.416   2.116
    5   2HA   GLY   1          1HA       GLY   1  -7.349   0.479   3.557
    6    H    TYR   2           H        TYR   2  -6.485   1.082   0.209
    7    HA   TYR   2           HA       TYR   2  -4.347  -0.878   0.119
    8   1HB   TYR   2          2HB       TYR   2  -5.363  -0.063  -1.951
    9   2HB   TYR   2          1HB       TYR   2  -4.878   1.586  -1.567
   10    HD1  TYR   2           HD1      TYR   2  -3.440  -1.852  -2.077
   11    HD2  TYR   2           HD2      TYR   2  -2.822   2.401  -2.305
   12    HE1  TYR   2           HE1      TYR   2  -1.245  -2.223  -3.167
   13    HE2  TYR   2           HE2      TYR   2  -0.626   2.024  -3.392
   14    HH   TYR   2           HH       TYR   2   0.426   0.148  -4.792
   15    H    ASP   3           H        ASP   3  -2.233  -0.625   0.743
   16    HA   ASP   3           HA       ASP   3  -1.558   1.885   2.170
   17   1HB   ASP   3          2HB       ASP   3  -1.128  -0.749   2.808
   18   2HB   ASP   3          1HB       ASP   3   0.430  -0.288   2.121
   19    HA   PRO   4           HA       PRO   4   0.731   2.839  -1.593
   20   1HB   PRO   4          2HB       PRO   4   1.021   5.505  -0.989
   21   2HB   PRO   4          1HB       PRO   4  -0.434   4.823  -1.735
   22   1HG   PRO   4          2HG       PRO   4  -0.016   5.729   1.077
   23   2HG   PRO   4          1HG       PRO   4  -1.512   5.655   0.133
   24   1HD   PRO   4          2HD       PRO   4  -0.715   3.795   2.106
   25   2HD   PRO   4          1HD       PRO   4  -2.012   3.561   0.917
   26    H    GLU   5           H        GLU   5   1.561   3.559   1.757
   27    HA   GLU   5           HA       GLU   5   4.199   4.492   1.492
   28   1HB   GLU   5          2HB       GLU   5   2.751   2.877   3.554
   29   2HB   GLU   5          1HB       GLU   5   4.509   2.976   3.668
   30   1HG   GLU   5          2HG       GLU   5   4.091   5.554   3.306
   31   2HG   GLU   5          1HG       GLU   5   2.471   5.168   3.890
   32    H    THR   6           H        THR   6   3.134   1.086   1.779
   33    HA   THR   6           HA       THR   6   5.784   0.245   0.721
   34    HB   THR   6           HB       THR   6   5.099  -0.905   2.750
   35    HG1  THR   6           HG1      THR   6   5.844  -2.635   1.869
   36   1HG2  THR   6          1HG2      THR   6   2.506  -0.917   1.361
   37   2HG2  THR   6          2HG2      THR   6   2.858  -0.958   3.089
   38   3HG2  THR   6          3HG2      THR   6   2.904  -2.446   2.144
   39    H    GLY   7           H        GLY   7   2.679   0.918  -0.367
   40   1HA   GLY   7          2HA       GLY   7   1.722   0.612  -2.491
   41   2HA   GLY   7          1HA       GLY   7   3.231  -0.149  -2.997
   42    H    THR   8           H        THR   8   1.303  -1.243  -0.245
   43    HA   THR   8           HA       THR   8   0.049  -3.394  -1.775
   44    HB   THR   8           HB       THR   8   1.687  -4.602   0.328
   45    HG1  THR   8           HG1      THR   8   3.595  -4.057  -0.380
   46   1HG2  THR   8          1HG2      THR   8   2.273  -6.056  -1.720
   47   2HG2  THR   8          2HG2      THR   8   1.093  -5.078  -2.590
   48   3HG2  THR   8          3HG2      THR   8   0.588  -6.037  -1.198
   49    H    TRP   9           H        TRP   9  -1.401  -4.658  -0.463
   50    HA   TRP   9           HA       TRP   9  -2.671  -3.157   1.628
   51   1HB   TRP   9          2HB       TRP   9  -3.063  -6.105   1.140
   52   2HB   TRP   9          1HB       TRP   9  -4.253  -4.912   1.661
   53    HD1  TRP   9           HD1      TRP   9  -2.605  -6.342  -1.429
   54    HE1  TRP   9           HE1      TRP   9  -3.734  -5.360  -3.526
   55    HE3  TRP   9           HE3      TRP   9  -5.423  -2.733   0.743
   56    HZ2  TRP   9           HZ2      TRP   9  -5.607  -3.292  -4.185
   57    HZ3  TRP   9           HZ3      TRP   9  -6.884  -1.259  -0.622
   58    HH2  TRP   9           HH2      TRP   9  -6.974  -1.534  -3.086
   59    H    GLY  10           HN       GLY  10  -0.426  -5.890   1.599
   60   1HA   GLY  10          2HA       GLY  10  -0.578  -6.106   4.548
   61   2HA   GLY  10          1HA       GLY  10   0.322  -7.185   3.481
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -7.638  -2.551   3.119
    2   2H    GLY   1          2H        GLY   1  -8.385  -1.495   4.220
    3   3H    GLY   1          3H        GLY   1  -6.720  -1.807   4.335
    4   1HA   GLY   1          2HA       GLY   1  -8.002  -0.490   2.005
    5   2HA   GLY   1          1HA       GLY   1  -7.244   0.382   3.338
    6    H    TYR   2           H        TYR   2  -6.385   0.386   0.551
    7    HA   TYR   2           HA       TYR   2  -4.064  -1.320   0.266
    8   1HB   TYR   2          2HB       TYR   2  -5.205  -0.358  -1.692
    9   2HB   TYR   2          1HB       TYR   2  -4.784   1.265  -1.149
   10    HD1  TYR   2           HD1      TYR   2  -3.355  -1.991  -2.275
   11    HD2  TYR   2           HD2      TYR   2  -2.639   2.191  -1.572
   12    HE1  TYR   2           HE1      TYR   2  -1.164  -2.168  -3.422
   13    HE2  TYR   2           HE2      TYR   2  -0.445   2.008  -2.713
   14    HH   TYR   2           HH       TYR   2   0.433   0.054  -4.695
   15    H    ASP   3           H        ASP   3  -1.821  -0.345   0.035
   16    HA   ASP   3           HA       ASP   3  -1.413   1.846   2.026
   17   1HB   ASP   3          2HB       ASP   3  -0.676  -0.807   2.376
   18   2HB   ASP   3          1HB       ASP   3   0.809  -0.047   1.800
   19    HA   PRO   4           HA       PRO   4   0.659   3.329  -1.678
   20   1HB   PRO   4          2HB       PRO   4   0.808   5.934  -0.818
   21   2HB   PRO   4          1HB       PRO   4  -0.637   5.228  -1.562
   22   1HG   PRO   4          2HG       PRO   4  -0.135   5.889   1.302
   23   2HG   PRO   4          1HG       PRO   4  -1.671   5.785   0.425
   24   1HD   PRO   4          2HD       PRO   4  -0.616   3.813   2.167
   25   2HD   PRO   4          1HD       PRO   4  -1.976   3.598   1.043
   26    H    GLU   5           H        GLU   5   1.636   4.097   1.670
   27    HA   GLU   5           HA       GLU   5   4.293   4.958   1.065
   28   1HB   GLU   5          2HB       GLU   5   3.214   5.258   3.288
   29   2HB   GLU   5          1HB       GLU   5   3.314   3.516   3.549
   30   1HG   GLU   5          2HG       GLU   5   5.408   3.772   4.327
   31   2HG   GLU   5          1HG       GLU   5   5.899   4.379   2.745
   32    H    THR   6           H        THR   6   3.014   1.742   1.932
   33    HA   THR   6           HA       THR   6   5.608   0.467   1.448
   34    HB   THR   6           HB       THR   6   2.871  -0.792   1.819
   35    HG1  THR   6           HG1      THR   6   3.819   0.630   3.530
   36   1HG2  THR   6          1HG2      THR   6   5.619  -1.955   2.315
   37   2HG2  THR   6          2HG2      THR   6   4.727  -2.191   0.812
   38   3HG2  THR   6          3HG2      THR   6   4.074  -2.805   2.332
   39    H    GLY   7           H        GLY   7   2.380   0.007  -0.017
   40   1HA   GLY   7          2HA       GLY   7   2.322   0.430  -2.539
   41   2HA   GLY   7          1HA       GLY   7   3.759  -0.589  -2.601
   42    H    THR   8           H        THR   8   1.249  -1.408  -0.327
   43    HA   THR   8           HA       THR   8  -0.128  -3.238  -2.141
   44    HB   THR   8           HB       THR   8   1.722  -4.678  -1.830
   45    HG1  THR   8           HG1      THR   8   0.385  -5.649   0.361
   46   1HG2  THR   8          1HG2      THR   8   3.092  -4.724   0.007
   47   2HG2  THR   8          2HG2      THR   8   1.752  -4.522   1.137
   48   3HG2  THR   8          3HG2      THR   8   2.396  -3.125   0.276
   49    H    TRP   9           H        TRP   9  -1.660  -4.676  -0.795
   50    HA   TRP   9           HA       TRP   9  -3.212  -2.984   0.931
   51   1HB   TRP   9          2HB       TRP   9  -3.429  -5.990   0.746
   52   2HB   TRP   9          1HB       TRP   9  -4.712  -4.828   1.073
   53    HD1  TRP   9           HD1      TRP   9  -2.867  -6.514  -1.732
   54    HE1  TRP   9           HE1      TRP   9  -3.857  -5.760  -3.990
   55    HE3  TRP   9           HE3      TRP   9  -5.802  -2.694  -0.142
   56    HZ2  TRP   9           HZ2      TRP   9  -5.677  -3.782  -4.985
   57    HZ3  TRP   9           HZ3      TRP   9  -7.167  -1.382  -1.750
   58    HH2  TRP   9           HH2      TRP   9  -7.104  -1.922  -4.170
   59    H    GLY  10           HN       GLY  10  -1.076  -5.761   1.523
   60   1HA   GLY  10          2HA       GLY  10   0.346  -5.706   3.554
   61   2HA   GLY  10          1HA       GLY  10  -1.005  -4.946   4.399
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -7.969  -2.103   1.942
    2   2H    GLY   1          2H        GLY   1  -7.941  -0.505   1.364
    3   3H    GLY   1          3H        GLY   1  -8.865  -0.901   2.735
    4   1HA   GLY   1          2HA       GLY   1  -6.876   0.217   3.439
    5   2HA   GLY   1          1HA       GLY   1  -6.820  -1.475   3.937
    6    H    TYR   2           H        TYR   2  -5.751   0.727   1.346
    7    HA   TYR   2           HA       TYR   2  -3.487  -1.167   0.852
    8   1HB   TYR   2          2HB       TYR   2  -4.993  -0.829  -1.102
    9   2HB   TYR   2          1HB       TYR   2  -4.649   0.900  -1.041
   10    HD1  TYR   2           HD1      TYR   2  -3.568  -2.281  -2.285
   11    HD2  TYR   2           HD2      TYR   2  -2.167   1.621  -1.161
   12    HE1  TYR   2           HE1      TYR   2  -1.498  -2.644  -3.603
   13    HE2  TYR   2           HE2      TYR   2  -0.098   1.258  -2.478
   14    HH   TYR   2           HH       TYR   2   0.231  -1.184  -4.745
   15    H    ASP   3           H        ASP   3  -1.810  -0.372   2.056
   16    HA   ASP   3           HA       ASP   3  -1.448   2.484   2.500
   17   1HB   ASP   3          2HB       ASP   3  -0.685   0.330   3.911
   18   2HB   ASP   3          1HB       ASP   3   0.792   0.579   2.978
   19    HA   PRO   4           HA       PRO   4   0.729   2.806  -1.417
   20   1HB   PRO   4          2HB       PRO   4   0.790   5.555  -1.408
   21   2HB   PRO   4          1HB       PRO   4  -0.613   4.607  -1.931
   22   1HG   PRO   4          2HG       PRO   4  -0.216   6.131   0.604
   23   2HG   PRO   4          1HG       PRO   4  -1.721   5.730  -0.241
   24   1HD   PRO   4          2HD       PRO   4  -0.716   4.414   2.049
   25   2HD   PRO   4          1HD       PRO   4  -2.010   3.816   0.988
   26    H    GLU   5           H        GLU   5   1.599   4.126   1.702
   27    HA   GLU   5           HA       GLU   5   4.103   5.300   1.147
   28   1HB   GLU   5          2HB       GLU   5   2.956   5.261   3.389
   29   2HB   GLU   5          1HB       GLU   5   3.457   3.578   3.558
   30   1HG   GLU   5          2HG       GLU   5   5.747   5.088   2.772
   31   2HG   GLU   5          1HG       GLU   5   4.979   5.934   4.114
   32    H    THR   6           H        THR   6   3.131   1.956   1.125
   33    HA   THR   6           HA       THR   6   5.968   1.194   0.548
   34    HB   THR   6           HB       THR   6   5.476  -1.014   1.478
   35    HG1  THR   6           HG1      THR   6   3.305  -0.980   2.653
   36   1HG2  THR   6          1HG2      THR   6   4.319   0.738   3.583
   37   2HG2  THR   6          2HG2      THR   6   5.885   1.218   2.928
   38   3HG2  THR   6          3HG2      THR   6   5.688  -0.371   3.668
   39    H    GLY   7           H        GLY   7   2.580   0.179  -0.040
   40   1HA   GLY   7          2HA       GLY   7   1.765   0.062  -2.372
   41   2HA   GLY   7          1HA       GLY   7   3.392  -0.424  -2.853
   42    H    THR   8           H        THR   8   0.879  -1.527  -0.538
   43    HA   THR   8           HA       THR   8   1.028  -4.225  -1.725
   44    HB   THR   8           HB       THR   8   1.232  -4.265   1.223
   45    HG1  THR   8           HG1      THR   8   2.742  -2.641   0.654
   46   1HG2  THR   8          1HG2      THR   8   2.986  -5.758  -0.690
   47   2HG2  THR   8          2HG2      THR   8   1.271  -6.165  -0.617
   48   3HG2  THR   8          3HG2      THR   8   2.271  -6.300   0.829
   49    H    TRP   9           H        TRP   9  -0.783  -5.463  -1.313
   50    HA   TRP   9           HA       TRP   9  -3.142  -3.956  -0.616
   51   1HB   TRP   9          2HB       TRP   9  -2.523  -6.358  -2.028
   52   2HB   TRP   9          1HB       TRP   9  -3.701  -6.750  -0.773
   53    HD1  TRP   9           HD1      TRP   9  -4.155  -6.360  -4.063
   54    HE1  TRP   9           HE1      TRP   9  -6.129  -4.843  -4.755
   55    HE3  TRP   9           HE3      TRP   9  -4.782  -3.756   0.258
   56    HZ2  TRP   9           HZ2      TRP   9  -7.762  -2.781  -3.603
   57    HZ3  TRP   9           HZ3      TRP   9  -6.550  -2.018   0.449
   58    HH2  TRP   9           HH2      TRP   9  -8.035  -1.527  -1.477
   59    H    GLY  10           HN       GLY  10  -0.933  -5.969   1.096
   60   1HA   GLY  10          2HA       GLY  10  -2.580  -7.093   3.099
   61   2HA   GLY  10          1HA       GLY  10  -0.894  -6.637   3.346
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -6.931   1.558   2.483
    2   2H    GLY   1          2H        GLY   1  -6.265   1.342   4.030
    3   3H    GLY   1          3H        GLY   1  -7.930   1.112   3.779
    4   1HA   GLY   1          2HA       GLY   1  -6.645  -0.987   3.978
    5   2HA   GLY   1          1HA       GLY   1  -7.567  -0.829   2.482
    6    H    TYR   2           H        TYR   2  -6.249   0.353   0.675
    7    HA   TYR   2           HA       TYR   2  -3.865  -1.213   0.204
    8   1HB   TYR   2          2HB       TYR   2  -5.275  -0.471  -1.658
    9   2HB   TYR   2          1HB       TYR   2  -4.948   1.216  -1.255
   10    HD1  TYR   2           HD1      TYR   2  -3.504  -1.913  -2.589
   11    HD2  TYR   2           HD2      TYR   2  -2.799   2.240  -1.740
   12    HE1  TYR   2           HE1      TYR   2  -1.429  -1.985  -3.945
   13    HE2  TYR   2           HE2      TYR   2  -0.726   2.166  -3.098
   14    HH   TYR   2           HH       TYR   2   0.080  -0.594  -5.069
   15    H    ASP   3           H        ASP   3  -1.929  -0.792   1.143
   16    HA   ASP   3           HA       ASP   3  -1.364   1.834   2.301
   17   1HB   ASP   3          2HB       ASP   3  -0.633  -0.486   3.205
   18   2HB   ASP   3          1HB       ASP   3   0.643  -0.392   1.990
   19    HA   PRO   4           HA       PRO   4   0.436   3.074  -1.627
   20   1HB   PRO   4          2HB       PRO   4   0.642   5.729  -0.942
   21   2HB   PRO   4          1HB       PRO   4  -0.856   4.981  -1.525
   22   1HG   PRO   4          2HG       PRO   4  -0.125   5.809   1.246
   23   2HG   PRO   4          1HG       PRO   4  -1.726   5.668   0.503
   24   1HD   PRO   4          2HD       PRO   4  -0.551   3.796   2.269
   25   2HD   PRO   4          1HD       PRO   4  -1.987   3.519   1.258
   26    H    GLU   5           H        GLU   5   1.655   3.927   1.599
   27    HA   GLU   5           HA       GLU   5   4.265   4.773   0.718
   28   1HB   GLU   5          2HB       GLU   5   3.224   3.770   3.379
   29   2HB   GLU   5          1HB       GLU   5   4.888   4.307   3.143
   30   1HG   GLU   5          2HG       GLU   5   3.519   6.378   2.012
   31   2HG   GLU   5          1HG       GLU   5   2.397   5.895   3.284
   32    H    THR   6           H        THR   6   3.174   1.712   2.236
   33    HA   THR   6           HA       THR   6   5.701   0.402   1.546
   34    HB   THR   6           HB       THR   6   3.118  -0.817   2.568
   35    HG1  THR   6           HG1      THR   6   4.471  -0.730   4.567
   36   1HG2  THR   6          1HG2      THR   6   4.207  -2.784   2.533
   37   2HG2  THR   6          2HG2      THR   6   5.594  -2.084   3.369
   38   3HG2  THR   6          3HG2      THR   6   5.485  -1.992   1.610
   39    H    GLY   7           H        GLY   7   2.595   0.855   0.092
   40   1HA   GLY   7          2HA       GLY   7   1.758   0.171  -1.988
   41   2HA   GLY   7          1HA       GLY   7   3.421  -0.228  -2.419
   42    H    THR   8           H        THR   8   0.964  -1.530  -0.150
   43    HA   THR   8           HA       THR   8   1.269  -4.173  -1.451
   44    HB   THR   8           HB       THR   8   1.334  -4.187   1.527
   45    HG1  THR   8           HG1      THR   8   3.759  -3.990   0.158
   46   1HG2  THR   8          1HG2      THR   8   1.575  -6.036  -0.564
   47   2HG2  THR   8          2HG2      THR   8   1.884  -6.336   1.147
   48   3HG2  THR   8          3HG2      THR   8   3.208  -5.868   0.081
   49    H    TRP   9           H        TRP   9  -0.514  -5.543  -1.118
   50    HA   TRP   9           HA       TRP   9  -2.936  -4.098  -0.395
   51   1HB   TRP   9          2HB       TRP   9  -2.255  -6.270  -2.137
   52   2HB   TRP   9          1HB       TRP   9  -3.516  -6.806  -1.023
   53    HD1  TRP   9           HD1      TRP   9  -3.762  -5.943  -4.239
   54    HE1  TRP   9           HE1      TRP   9  -5.652  -4.282  -4.827
   55    HE3  TRP   9           HE3      TRP   9  -4.611  -3.941   0.364
   56    HZ2  TRP   9           HZ2      TRP   9  -7.306  -2.353  -3.502
   57    HZ3  TRP   9           HZ3      TRP   9  -6.349  -2.193   0.683
   58    HH2  TRP   9           HH2      TRP   9  -7.692  -1.397  -1.244
   59    H    GLY  10           HN       GLY  10  -1.180  -4.668   1.804
   60   1HA   GLY  10          2HA       GLY  10  -1.831  -5.203   4.069
   61   2HA   GLY  10          1HA       GLY  10  -3.023  -6.335   3.429
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -7.680   0.219   4.655
    2   2H    GLY   1          2H        GLY   1  -6.084   0.747   4.406
    3   3H    GLY   1          3H        GLY   1  -6.420  -0.912   4.553
    4   1HA   GLY   1          2HA       GLY   1  -7.674  -0.885   2.500
    5   2HA   GLY   1          1HA       GLY   1  -7.362   0.845   2.352
    6    H    TYR   2           H        TYR   2  -6.072   0.791   0.502
    7    HA   TYR   2           HA       TYR   2  -3.779  -1.060   0.385
    8   1HB   TYR   2          2HB       TYR   2  -5.047  -0.599  -1.672
    9   2HB   TYR   2          1HB       TYR   2  -4.687   1.121  -1.519
   10    HD1  TYR   2           HD1      TYR   2  -3.520  -2.063  -2.726
   11    HD2  TYR   2           HD2      TYR   2  -2.229   1.848  -1.508
   12    HE1  TYR   2           HE1      TYR   2  -1.366  -2.405  -3.908
   13    HE2  TYR   2           HE2      TYR   2  -0.077   1.506  -2.690
   14    HH   TYR   2           HH       TYR   2   0.489  -1.358  -4.682
   15    H    ASP   3           H        ASP   3  -2.049  -0.469   1.622
   16    HA   ASP   3           HA       ASP   3  -1.491   2.288   2.320
   17   1HB   ASP   3          2HB       ASP   3  -0.873   0.213   3.676
   18   2HB   ASP   3          1HB       ASP   3   0.431  -0.038   2.516
   19    HA   PRO   4           HA       PRO   4   0.637   2.926  -1.588
   20   1HB   PRO   4          2HB       PRO   4   0.804   5.655  -1.302
   21   2HB   PRO   4          1HB       PRO   4  -0.641   4.818  -1.893
   22   1HG   PRO   4          2HG       PRO   4  -0.153   6.065   0.772
   23   2HG   PRO   4          1HG       PRO   4  -1.683   5.798  -0.078
   24   1HD   PRO   4          2HD       PRO   4  -0.680   4.229   2.051
   25   2HD   PRO   4          1HD       PRO   4  -2.022   3.789   0.972
   26    H    GLU   5           H        GLU   5   1.605   4.028   1.614
   27    HA   GLU   5           HA       GLU   5   4.156   5.088   1.072
   28   1HB   GLU   5          2HB       GLU   5   2.745   4.460   3.356
   29   2HB   GLU   5          1HB       GLU   5   4.088   3.319   3.420
   30   1HG   GLU   5          2HG       GLU   5   5.683   4.986   3.583
   31   2HG   GLU   5          1HG       GLU   5   4.693   6.162   2.716
   32    H    THR   6           H        THR   6   3.412   1.676   1.912
   33    HA   THR   6           HA       THR   6   6.060   0.886   0.847
   34    HB   THR   6           HB       THR   6   5.736  -1.180   1.923
   35    HG1  THR   6           HG1      THR   6   3.415  -1.540   2.703
   36   1HG2  THR   6          1HG2      THR   6   5.647   0.950   3.431
   37   2HG2  THR   6          2HG2      THR   6   5.251  -0.615   4.141
   38   3HG2  THR   6          3HG2      THR   6   3.961   0.494   3.677
   39    H    GLY   7           H        GLY   7   2.610   0.440   0.164
   40   1HA   GLY   7          2HA       GLY   7   1.713   0.158  -2.048
   41   2HA   GLY   7          1HA       GLY   7   3.321  -0.297  -2.615
   42    H    THR   8           H        THR   8   0.811  -1.480  -0.349
   43    HA   THR   8           HA       THR   8   1.049  -4.164  -1.554
   44    HB   THR   8           HB       THR   8   1.211  -4.090   1.427
   45    HG1  THR   8           HG1      THR   8   3.336  -3.552  -0.360
   46   1HG2  THR   8          1HG2      THR   8   2.277  -5.871  -0.777
   47   2HG2  THR   8          2HG2      THR   8   0.963  -6.230   0.343
   48   3HG2  THR   8          3HG2      THR   8   2.620  -6.122   0.934
   49    H    TRP   9           H        TRP   9  -0.738  -5.505  -1.076
   50    HA   TRP   9           HA       TRP   9  -3.133  -3.990  -0.469
   51   1HB   TRP   9          2HB       TRP   9  -2.481  -6.362  -1.923
   52   2HB   TRP   9          1HB       TRP   9  -3.708  -6.766  -0.720
   53    HD1  TRP   9           HD1      TRP   9  -4.049  -6.321  -4.010
   54    HE1  TRP   9           HE1      TRP   9  -5.972  -4.763  -4.750
   55    HE3  TRP   9           HE3      TRP   9  -4.793  -3.757   0.324
   56    HZ2  TRP   9           HZ2      TRP   9  -7.610  -2.690  -3.633
   57    HZ3  TRP   9           HZ3      TRP   9  -6.537  -1.994   0.470
   58    HH2  TRP   9           HH2      TRP   9  -7.943  -1.458  -1.503
   59    H    GLY  10           HN       GLY  10  -1.701  -6.991   0.825
   60   1HA   GLY  10          2HA       GLY  10  -2.855  -6.252   3.480
   61   2HA   GLY  10          1HA       GLY  10  -2.997  -7.900   2.866
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -7.266   0.007   4.711
    2   2H    GLY   1          2H        GLY   1  -6.627   1.415   4.007
    3   3H    GLY   1          3H        GLY   1  -5.604   0.113   4.388
    4   1HA   GLY   1          2HA       GLY   1  -7.224  -1.176   2.791
    5   2HA   GLY   1          1HA       GLY   1  -7.440   0.449   2.138
    6    H    TYR   2           H        TYR   2  -6.228   0.384   0.274
    7    HA   TYR   2           HA       TYR   2  -3.756  -1.041  -0.008
    8   1HB   TYR   2          2HB       TYR   2  -5.085  -0.395  -1.961
    9   2HB   TYR   2          1HB       TYR   2  -4.848   1.311  -1.582
   10    HD1  TYR   2           HD1      TYR   2  -3.137  -1.810  -2.632
   11    HD2  TYR   2           HD2      TYR   2  -2.802   2.441  -2.114
   12    HE1  TYR   2           HE1      TYR   2  -0.998  -1.826  -3.888
   13    HE2  TYR   2           HE2      TYR   2  -0.663   2.426  -3.370
   14    HH   TYR   2           HH       TYR   2   0.653   1.178  -4.740
   15    H    ASP   3           H        ASP   3  -1.848  -0.529   0.933
   16    HA   ASP   3           HA       ASP   3  -1.443   2.135   2.094
   17   1HB   ASP   3          2HB       ASP   3  -0.477  -0.468   2.617
   18   2HB   ASP   3          1HB       ASP   3   0.924   0.483   2.122
   19    HA   PRO   4           HA       PRO   4   0.539   3.339  -1.754
   20   1HB   PRO   4          2HB       PRO   4   0.614   6.017  -1.127
   21   2HB   PRO   4          1HB       PRO   4  -0.817   5.203  -1.785
   22   1HG   PRO   4          2HG       PRO   4  -0.295   6.123   1.003
   23   2HG   PRO   4          1HG       PRO   4  -1.840   5.905   0.165
   24   1HD   PRO   4          2HD       PRO   4  -0.715   4.122   2.052
   25   2HD   PRO   4          1HD       PRO   4  -2.072   3.769   0.961
   26    H    GLU   5           H        GLU   5   1.615   3.588   1.495
   27    HA   GLU   5           HA       GLU   5   4.196   4.833   0.843
   28   1HB   GLU   5          2HB       GLU   5   2.688   4.267   3.229
   29   2HB   GLU   5          1HB       GLU   5   4.301   3.569   3.384
   30   1HG   GLU   5          2HG       GLU   5   5.027   5.923   2.369
   31   2HG   GLU   5          1HG       GLU   5   3.496   6.432   3.083
   32    H    THR   6           H        THR   6   3.133   1.616   2.016
   33    HA   THR   6           HA       THR   6   5.769   0.479   1.390
   34    HB   THR   6           HB       THR   6   4.812  -1.620   2.232
   35    HG1  THR   6           HG1      THR   6   2.410  -0.409   2.882
   36   1HG2  THR   6          1HG2      THR   6   3.646  -0.125   4.344
   37   2HG2  THR   6          2HG2      THR   6   4.953   0.854   3.679
   38   3HG2  THR   6          3HG2      THR   6   5.282  -0.777   4.259
   39    H    GLY   7           H        GLY   7   2.427   0.142   0.169
   40   1HA   GLY   7          2HA       GLY   7   1.845  -0.164  -2.135
   41   2HA   GLY   7          1HA       GLY   7   3.534  -0.536  -2.486
   42    H    THR   8           H        THR   8   0.900  -1.903  -0.467
   43    HA   THR   8           HA       THR   8   1.166  -4.481  -1.826
   44    HB   THR   8           HB       THR   8   1.632  -4.538   1.141
   45    HG1  THR   8           HG1      THR   8   3.763  -4.309   0.845
   46   1HG2  THR   8          1HG2      THR   8   1.968  -6.381  -1.204
   47   2HG2  THR   8          2HG2      THR   8   1.174  -6.680   0.343
   48   3HG2  THR   8          3HG2      THR   8   2.935  -6.633   0.250
   49    H    TRP   9           H        TRP   9  -0.545  -5.929  -1.267
   50    HA   TRP   9           HA       TRP   9  -2.859  -4.495  -0.195
   51   1HB   TRP   9          2HB       TRP   9  -2.434  -6.544  -2.180
   52   2HB   TRP   9          1HB       TRP   9  -3.622  -7.090  -0.996
   53    HD1  TRP   9           HD1      TRP   9  -4.076  -5.964  -4.114
   54    HE1  TRP   9           HE1      TRP   9  -5.909  -4.172  -4.411
   55    HE3  TRP   9           HE3      TRP   9  -4.454  -4.310   0.687
   56    HZ2  TRP   9           HZ2      TRP   9  -7.348  -2.283  -2.809
   57    HZ3  TRP   9           HZ3      TRP   9  -6.063  -2.515   1.285
   58    HH2  TRP   9           HH2      TRP   9  -7.508  -1.500  -0.458
   59    H    GLY  10           HN       GLY  10  -2.374  -4.588   2.073
   60   1HA   GLY  10          2HA       GLY  10  -2.412  -5.561   4.207
   61   2HA   GLY  10          1HA       GLY  10  -3.385  -6.839   3.479
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -7.268   0.179   4.942
    2   2H    GLY   1          2H        GLY   1  -5.595   0.286   4.668
    3   3H    GLY   1          3H        GLY   1  -6.350  -1.233   4.747
    4   1HA   GLY   1          2HA       GLY   1  -7.324  -1.035   2.686
    5   2HA   GLY   1          1HA       GLY   1  -7.198   0.724   2.718
    6    H    TYR   2           H        TYR   2  -6.184   0.366   0.542
    7    HA   TYR   2           HA       TYR   2  -3.604  -0.937   0.362
    8   1HB   TYR   2          2HB       TYR   2  -5.133  -0.553  -1.586
    9   2HB   TYR   2          1HB       TYR   2  -4.774   1.170  -1.476
   10    HD1  TYR   2           HD1      TYR   2  -3.771  -1.922  -2.909
   11    HD2  TYR   2           HD2      TYR   2  -2.223   1.810  -1.450
   12    HE1  TYR   2           HE1      TYR   2  -1.698  -2.267  -4.227
   13    HE2  TYR   2           HE2      TYR   2  -0.150   1.466  -2.769
   14    HH   TYR   2           HH       TYR   2   0.692  -1.496  -4.126
   15    H    ASP   3           H        ASP   3  -2.032  -0.114   1.691
   16    HA   ASP   3           HA       ASP   3  -1.752   2.782   2.077
   17   1HB   ASP   3          2HB       ASP   3  -1.301   1.156   3.917
   18   2HB   ASP   3          1HB       ASP   3   0.062   0.529   2.987
   19    HA   PRO   4           HA       PRO   4   0.942   2.890  -1.505
   20   1HB   PRO   4          2HB       PRO   4   1.138   5.633  -1.561
   21   2HB   PRO   4          1HB       PRO   4  -0.232   4.733  -2.234
   22   1HG   PRO   4          2HG       PRO   4  -0.088   6.325   0.285
   23   2HG   PRO   4          1HG       PRO   4  -1.491   5.953  -0.730
   24   1HD   PRO   4          2HD       PRO   4  -0.830   4.680   1.708
   25   2HD   PRO   4          1HD       PRO   4  -2.021   4.107   0.521
   26    H    GLU   5           H        GLU   5   1.493   4.043   1.704
   27    HA   GLU   5           HA       GLU   5   4.186   5.036   1.318
   28   1HB   GLU   5          2HB       GLU   5   2.512   5.342   3.339
   29   2HB   GLU   5          1HB       GLU   5   3.259   3.854   3.919
   30   1HG   GLU   5          2HG       GLU   5   4.705   5.397   4.853
   31   2HG   GLU   5          1HG       GLU   5   5.498   5.155   3.296
   32    H    THR   6           H        THR   6   2.785   1.916   1.414
   33    HA   THR   6           HA       THR   6   5.485   0.692   1.823
   34    HB   THR   6           HB       THR   6   2.788  -0.639   2.206
   35    HG1  THR   6           HG1      THR   6   4.466   0.804   3.918
   36   1HG2  THR   6          1HG2      THR   6   4.308  -2.366   1.878
   37   2HG2  THR   6          2HG2      THR   6   4.428  -2.138   3.623
   38   3HG2  THR   6          3HG2      THR   6   5.652  -1.448   2.555
   39    H    GLY   7           H        GLY   7   2.378   0.128   0.124
   40   1HA   GLY   7          2HA       GLY   7   2.259  -0.151  -2.289
   41   2HA   GLY   7          1HA       GLY   7   3.951  -0.646  -2.281
   42    H    THR   8           H        THR   8   1.053  -1.752  -0.480
   43    HA   THR   8           HA       THR   8   1.154  -4.366  -1.785
   44    HB   THR   8           HB       THR   8   1.421  -4.624   1.156
   45    HG1  THR   8           HG1      THR   8   3.729  -4.244  -0.416
   46   1HG2  THR   8          1HG2      THR   8   2.964  -6.502   0.275
   47   2HG2  THR   8          2HG2      THR   8   2.334  -6.085  -1.318
   48   3HG2  THR   8          3HG2      THR   8   1.237  -6.642  -0.055
   49    H    TRP   9           H        TRP   9  -0.661  -5.657  -1.282
   50    HA   TRP   9           HA       TRP   9  -2.944  -4.078  -0.422
   51   1HB   TRP   9          2HB       TRP   9  -2.493  -6.321  -2.125
   52   2HB   TRP   9          1HB       TRP   9  -3.652  -6.800  -0.882
   53    HD1  TRP   9           HD1      TRP   9  -4.189  -6.017  -4.081
   54    HE1  TRP   9           HE1      TRP   9  -6.098  -4.332  -4.527
   55    HE3  TRP   9           HE3      TRP   9  -4.538  -3.891   0.524
   56    HZ2  TRP   9           HZ2      TRP   9  -7.577  -2.332  -3.090
   57    HZ3  TRP   9           HZ3      TRP   9  -6.198  -2.097   0.975
   58    HH2  TRP   9           HH2      TRP   9  -7.712  -1.315  -0.827
   59    H    GLY  10           HN       GLY  10  -2.118  -7.444   0.376
   60   1HA   GLY  10          2HA       GLY  10  -2.979  -6.870   3.179
   61   2HA   GLY  10          1HA       GLY  10  -3.056  -8.461   2.418
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  -7.837   0.592   4.165
    2   2H    GLY   1          2H        GLY   1  -6.902   1.224   2.895
    3   3H    GLY   1          3H        GLY   1  -6.152   0.704   4.328
    4   1HA   GLY   1          2HA       GLY   1  -6.807  -1.574   3.887
    5   2HA   GLY   1          1HA       GLY   1  -7.593  -1.036   2.402
    6    H    TYR   2           H        TYR   2  -6.063   0.292   0.916
    7    HA   TYR   2           HA       TYR   2  -3.614  -1.311   0.572
    8   1HB   TYR   2          2HB       TYR   2  -4.954  -0.827  -1.412
    9   2HB   TYR   2          1HB       TYR   2  -4.825   0.906  -1.107
   10    HD1  TYR   2           HD1      TYR   2  -3.039  -2.113  -2.224
   11    HD2  TYR   2           HD2      TYR   2  -2.724   2.104  -1.468
   12    HE1  TYR   2           HE1      TYR   2  -0.892  -2.050  -3.466
   13    HE2  TYR   2           HE2      TYR   2  -0.580   2.167  -2.710
   14    HH   TYR   2           HH       TYR   2   0.755   1.007  -4.129
   15    H    ASP   3           H        ASP   3  -1.642  -0.636   1.254
   16    HA   ASP   3           HA       ASP   3  -1.388   2.063   2.415
   17   1HB   ASP   3          2HB       ASP   3  -0.495  -0.074   3.501
   18   2HB   ASP   3          1HB       ASP   3   0.751  -0.068   2.254
   19    HA   PRO   4           HA       PRO   4   0.413   3.286  -1.519
   20   1HB   PRO   4          2HB       PRO   4   0.345   5.976  -0.962
   21   2HB   PRO   4          1HB       PRO   4  -1.053   5.063  -1.554
   22   1HG   PRO   4          2HG       PRO   4  -0.506   6.086   1.194
   23   2HG   PRO   4          1HG       PRO   4  -2.059   5.756   0.408
   24   1HD   PRO   4          2HD       PRO   4  -0.776   4.090   2.302
   25   2HD   PRO   4          1HD       PRO   4  -2.142   3.630   1.263
   26    H    GLU   5           H        GLU   5   1.588   3.584   1.670
   27    HA   GLU   5           HA       GLU   5   4.027   5.056   0.986
   28   1HB   GLU   5          2HB       GLU   5   2.689   4.556   3.349
   29   2HB   GLU   5          1HB       GLU   5   4.066   3.459   3.453
   30   1HG   GLU   5          2HG       GLU   5   4.716   5.600   4.402
   31   2HG   GLU   5          1HG       GLU   5   5.568   5.381   2.874
   32    H    THR   6           H        THR   6   3.379   1.710   2.106
   33    HA   THR   6           HA       THR   6   6.027   0.867   1.140
   34    HB   THR   6           HB       THR   6   3.745  -0.598   2.487
   35    HG1  THR   6           HG1      THR   6   5.001  -0.441   4.221
   36   1HG2  THR   6          1HG2      THR   6   4.587  -2.469   1.538
   37   2HG2  THR   6          2HG2      THR   6   5.971  -2.237   2.606
   38   3HG2  THR   6          3HG2      THR   6   6.021  -1.624   0.953
   39    H    GLY   7           H        GLY   7   2.609   0.202   0.349
   40   1HA   GLY   7          2HA       GLY   7   1.833  -0.074  -1.926
   41   2HA   GLY   7          1HA       GLY   7   3.482  -0.480  -2.407
   42    H    THR   8           H        THR   8   0.821  -1.720  -0.368
   43    HA   THR   8           HA       THR   8   1.242  -4.403  -1.493
   44    HB   THR   8           HB       THR   8   1.262  -4.223   1.499
   45    HG1  THR   8           HG1      THR   8   3.520  -4.047  -0.210
   46   1HG2  THR   8          1HG2      THR   8   2.542  -6.353   1.192
   47   2HG2  THR   8          2HG2      THR   8   2.331  -6.180  -0.550
   48   3HG2  THR   8          3HG2      THR   8   0.925  -6.403   0.490
   49    H    TRP   9           H        TRP   9  -0.538  -5.798  -1.101
   50    HA   TRP   9           HA       TRP   9  -2.974  -4.310  -0.466
   51   1HB   TRP   9          2HB       TRP   9  -2.277  -6.466  -2.234
   52   2HB   TRP   9          1HB       TRP   9  -3.597  -6.977  -1.178
   53    HD1  TRP   9           HD1      TRP   9  -3.672  -6.028  -4.391
   54    HE1  TRP   9           HE1      TRP   9  -5.488  -4.300  -5.012
   55    HE3  TRP   9           HE3      TRP   9  -4.672  -4.139   0.227
   56    HZ2  TRP   9           HZ2      TRP   9  -7.151  -2.365  -3.702
   57    HZ3  TRP   9           HZ3      TRP   9  -6.375  -2.355   0.525
   58    HH2  TRP   9           HH2      TRP   9  -7.611  -1.466  -1.434
   59    H    GLY  10           HN       GLY  10  -1.780  -4.536   1.868
   60   1HA   GLY  10          2HA       GLY  10  -1.775  -6.835   3.402
   61   2HA   GLY  10          1HA       GLY  10  -2.271  -5.274   4.058
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -5.360  -0.514   4.614
    2   2H    GLY   1          2H        GLY   1  -6.734  -1.350   5.161
    3   3H    GLY   1          3H        GLY   1  -6.826   0.312   4.825
    4   1HA   GLY   1          2HA       GLY   1  -7.296  -1.839   3.096
    5   2HA   GLY   1          1HA       GLY   1  -7.407  -0.114   2.748
    6    H    TYR   2           H        TYR   2  -5.964   0.684   1.293
    7    HA   TYR   2           HA       TYR   2  -3.634  -1.047   0.593
    8   1HB   TYR   2          2HB       TYR   2  -5.280  -0.494  -1.220
    9   2HB   TYR   2          1HB       TYR   2  -4.864   1.208  -1.018
   10    HD1  TYR   2           HD1      TYR   2  -3.885  -1.962  -2.474
   11    HD2  TYR   2           HD2      TYR   2  -2.463   1.940  -1.368
   12    HE1  TYR   2           HE1      TYR   2  -1.915  -2.261  -3.949
   13    HE2  TYR   2           HE2      TYR   2  -0.493   1.639  -2.844
   14    HH   TYR   2           HH       TYR   2  -0.186  -0.107  -5.165
   15    H    ASP   3           H        ASP   3  -1.823  -0.364   1.637
   16    HA   ASP   3           HA       ASP   3  -1.492   2.514   2.247
   17   1HB   ASP   3          2HB       ASP   3  -0.905   0.282   3.708
   18   2HB   ASP   3          1HB       ASP   3   0.663   0.627   2.975
   19    HA   PRO   4           HA       PRO   4   1.076   2.674  -1.424
   20   1HB   PRO   4          2HB       PRO   4   1.363   5.408  -1.386
   21   2HB   PRO   4          1HB       PRO   4  -0.066   4.583  -2.032
   22   1HG   PRO   4          2HG       PRO   4   0.243   6.069   0.535
   23   2HG   PRO   4          1HG       PRO   4  -1.217   5.786  -0.429
   24   1HD   PRO   4          2HD       PRO   4  -0.490   4.394   1.929
   25   2HD   PRO   4          1HD       PRO   4  -1.757   3.913   0.781
   26    H    GLU   5           H        GLU   5   1.779   3.920   1.769
   27    HA   GLU   5           HA       GLU   5   4.401   4.895   1.452
   28   1HB   GLU   5          2HB       GLU   5   3.029   3.440   3.709
   29   2HB   GLU   5          1HB       GLU   5   4.722   3.918   3.839
   30   1HG   GLU   5          2HG       GLU   5   2.553   5.873   3.054
   31   2HG   GLU   5          1HG       GLU   5   3.007   5.596   4.735
   32    H    THR   6           H        THR   6   3.207   1.665   1.140
   33    HA   THR   6           HA       THR   6   6.023   0.716   0.804
   34    HB   THR   6           HB       THR   6   5.604  -1.254   1.983
   35    HG1  THR   6           HG1      THR   6   3.380  -1.874   2.430
   36   1HG2  THR   6          1HG2      THR   6   5.021  -0.527   4.081
   37   2HG2  THR   6          2HG2      THR   6   3.562   0.282   3.509
   38   3HG2  THR   6          3HG2      THR   6   5.137   1.046   3.291
   39    H    GLY   7           H        GLY   7   2.598   0.059   0.026
   40   1HA   GLY   7          2HA       GLY   7   1.830  -0.175  -2.266
   41   2HA   GLY   7          1HA       GLY   7   3.467  -0.640  -2.731
   42    H    THR   8           H        THR   8   0.882  -1.797  -0.527
   43    HA   THR   8           HA       THR   8   1.150  -4.480  -1.726
   44    HB   THR   8           HB       THR   8   1.196  -4.389   1.258
   45    HG1  THR   8           HG1      THR   8   3.614  -4.573   0.818
   46   1HG2  THR   8          1HG2      THR   8   1.930  -6.242  -0.967
   47   2HG2  THR   8          2HG2      THR   8   1.037  -6.572   0.517
   48   3HG2  THR   8          3HG2      THR   8   2.793  -6.400   0.563
   49    H    TRP   9           H        TRP   9  -0.670  -5.803  -1.360
   50    HA   TRP   9           HA       TRP   9  -3.054  -4.258  -0.684
   51   1HB   TRP   9          2HB       TRP   9  -2.431  -6.443  -2.442
   52   2HB   TRP   9          1HB       TRP   9  -3.746  -6.919  -1.365
   53    HD1  TRP   9           HD1      TRP   9  -3.842  -5.983  -4.581
   54    HE1  TRP   9           HE1      TRP   9  -5.635  -4.225  -5.184
   55    HE3  TRP   9           HE3      TRP   9  -4.744  -4.065   0.041
   56    HZ2  TRP   9           HZ2      TRP   9  -7.243  -2.254  -3.858
   57    HZ3  TRP   9           HZ3      TRP   9  -6.409  -2.247   0.359
   58    HH2  TRP   9           HH2      TRP   9  -7.655  -1.339  -1.585
   59    H    GLY  10           HN       GLY  10  -1.452  -4.814   1.562
   60   1HA   GLY  10          2HA       GLY  10  -3.374  -6.163   3.262
   61   2HA   GLY  10          1HA       GLY  10  -1.921  -7.135   3.026
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -6.237   0.479   3.348
    2   2H    GLY   1          2H        GLY   1  -7.552  -0.203   4.180
    3   3H    GLY   1          3H        GLY   1  -7.503  -0.243   2.482
    4   1HA   GLY   1          2HA       GLY   1  -5.930  -1.812   4.421
    5   2HA   GLY   1          1HA       GLY   1  -6.876  -2.383   3.045
    6    H    TYR   2           H        TYR   2  -5.708  -0.027   1.462
    7    HA   TYR   2           HA       TYR   2  -3.213  -1.459   0.700
    8   1HB   TYR   2          2HB       TYR   2  -4.916  -1.014  -1.065
    9   2HB   TYR   2          1HB       TYR   2  -4.722   0.715  -0.782
   10    HD1  TYR   2           HD1      TYR   2  -3.374  -2.221  -2.420
   11    HD2  TYR   2           HD2      TYR   2  -2.443   1.769  -1.125
   12    HE1  TYR   2           HE1      TYR   2  -1.413  -2.184  -3.937
   13    HE2  TYR   2           HE2      TYR   2  -0.482   1.806  -2.644
   14    HH   TYR   2           HH       TYR   2   0.882  -0.850  -3.944
   15    H    ASP   3           H        ASP   3  -1.341  -0.627   1.474
   16    HA   ASP   3           HA       ASP   3  -1.293   2.169   2.429
   17   1HB   ASP   3          2HB       ASP   3  -0.183  -0.136   3.425
   18   2HB   ASP   3          1HB       ASP   3   1.189   0.591   2.588
   19    HA   PRO   4           HA       PRO   4   0.613   3.192  -1.500
   20   1HB   PRO   4          2HB       PRO   4   0.568   5.908  -1.072
   21   2HB   PRO   4          1HB       PRO   4  -0.834   4.982  -1.637
   22   1HG   PRO   4          2HG       PRO   4  -0.301   6.118   1.070
   23   2HG   PRO   4          1HG       PRO   4  -1.850   5.787   0.278
   24   1HD   PRO   4          2HD       PRO   4  -0.644   4.181   2.262
   25   2HD   PRO   4          1HD       PRO   4  -1.982   3.691   1.200
   26    H    GLU   5           H        GLU   5   1.658   4.043   1.718
   27    HA   GLU   5           HA       GLU   5   4.140   5.323   1.028
   28   1HB   GLU   5          2HB       GLU   5   2.813   4.356   3.436
   29   2HB   GLU   5          1HB       GLU   5   4.544   4.012   3.470
   30   1HG   GLU   5          2HG       GLU   5   3.657   6.724   2.567
   31   2HG   GLU   5          1HG       GLU   5   3.608   6.359   4.293
   32    H    THR   6           H        THR   6   3.280   1.943   1.763
   33    HA   THR   6           HA       THR   6   6.017   1.124   0.912
   34    HB   THR   6           HB       THR   6   3.822  -0.321   2.419
   35    HG1  THR   6           HG1      THR   6   6.507   0.116   3.158
   36   1HG2  THR   6          1HG2      THR   6   6.268  -1.797   2.351
   37   2HG2  THR   6          2HG2      THR   6   5.802  -1.430   0.690
   38   3HG2  THR   6          3HG2      THR   6   4.682  -2.284   1.752
   39    H    GLY   7           H        GLY   7   2.638  -0.004   0.488
   40   1HA   GLY   7          2HA       GLY   7   1.778  -0.145  -1.858
   41   2HA   GLY   7          1HA       GLY   7   3.381  -0.717  -2.322
   42    H    THR   8           H        THR   8   0.509  -1.587  -0.411
   43    HA   THR   8           HA       THR   8   0.900  -4.398  -1.178
   44    HB   THR   8           HB       THR   8   0.512  -3.960   1.748
   45    HG1  THR   8           HG1      THR   8   2.647  -3.672   2.085
   46   1HG2  THR   8          1HG2      THR   8   0.645  -6.164   0.182
   47   2HG2  THR   8          2HG2      THR   8   1.121  -6.157   1.880
   48   3HG2  THR   8          3HG2      THR   8   2.345  -5.999   0.620
   49    H    TRP   9           H        TRP   9  -0.980  -5.624  -0.982
   50    HA   TRP   9           HA       TRP   9  -3.410  -4.012  -0.852
   51   1HB   TRP   9          2HB       TRP   9  -2.556  -6.355  -2.236
   52   2HB   TRP   9          1HB       TRP   9  -3.968  -6.783  -1.266
   53    HD1  TRP   9           HD1      TRP   9  -3.743  -6.215  -4.550
   54    HE1  TRP   9           HE1      TRP   9  -5.518  -4.619  -5.541
   55    HE3  TRP   9           HE3      TRP   9  -5.191  -3.829  -0.310
   56    HZ2  TRP   9           HZ2      TRP   9  -7.323  -2.582  -4.627
   57    HZ3  TRP   9           HZ3      TRP   9  -6.942  -2.062  -0.376
   58    HH2  TRP   9           HH2      TRP   9  -8.004  -1.435  -2.531
   59    H    GLY  10           HN       GLY  10  -1.619  -5.286   1.490
   60   1HA   GLY  10          2HA       GLY  10  -3.594  -5.286   3.491
   61   2HA   GLY  10          1HA       GLY  10  -3.442  -6.961   2.956
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -5.162  -0.523   4.478
    2   2H    GLY   1          2H        GLY   1  -5.705  -2.124   4.653
    3   3H    GLY   1          3H        GLY   1  -6.789  -0.830   4.849
    4   1HA   GLY   1          2HA       GLY   1  -6.852  -2.116   2.657
    5   2HA   GLY   1          1HA       GLY   1  -6.861  -0.352   2.596
    6    H    TYR   2           H        TYR   2  -5.644   0.179   0.830
    7    HA   TYR   2           HA       TYR   2  -3.168  -1.350   0.264
    8   1HB   TYR   2          2HB       TYR   2  -4.661  -0.841  -1.627
    9   2HB   TYR   2          1HB       TYR   2  -4.528   0.883  -1.276
   10    HD1  TYR   2           HD1      TYR   2  -2.790  -2.081  -2.613
   11    HD2  TYR   2           HD2      TYR   2  -2.455   2.105  -1.689
   12    HE1  TYR   2           HE1      TYR   2  -0.717  -1.943  -3.968
   13    HE2  TYR   2           HE2      TYR   2  -0.384   2.240  -3.044
   14    HH   TYR   2           HH       TYR   2   1.381  -0.365  -3.962
   15    H    ASP   3           H        ASP   3  -1.425  -0.655   1.424
   16    HA   ASP   3           HA       ASP   3  -1.203   2.055   2.429
   17   1HB   ASP   3          2HB       ASP   3  -0.057  -0.315   3.129
   18   2HB   ASP   3          1HB       ASP   3   1.260   0.425   2.219
   19    HA   PRO   4           HA       PRO   4   0.405   3.475  -1.514
   20   1HB   PRO   4          2HB       PRO   4   0.313   6.141  -0.847
   21   2HB   PRO   4          1HB       PRO   4  -1.092   5.222  -1.414
   22   1HG   PRO   4          2HG       PRO   4  -0.436   6.129   1.355
   23   2HG   PRO   4          1HG       PRO   4  -2.019   5.831   0.616
   24   1HD   PRO   4          2HD       PRO   4  -0.682   4.083   2.379
   25   2HD   PRO   4          1HD       PRO   4  -2.052   3.648   1.333
   26    H    GLU   5           H        GLU   5   1.713   3.669   1.630
   27    HA   GLU   5           HA       GLU   5   4.115   5.184   0.901
   28   1HB   GLU   5          2HB       GLU   5   3.032   3.880   3.344
   29   2HB   GLU   5          1HB       GLU   5   4.791   3.959   3.222
   30   1HG   GLU   5          2HG       GLU   5   4.388   6.454   2.562
   31   2HG   GLU   5          1HG       GLU   5   2.803   6.218   3.299
   32    H    THR   6           H        THR   6   3.207   1.796   1.416
   33    HA   THR   6           HA       THR   6   5.859   0.992   0.291
   34    HB   THR   6           HB       THR   6   3.931  -0.444   2.133
   35    HG1  THR   6           HG1      THR   6   5.562  -0.279   3.541
   36   1HG2  THR   6          1HG2      THR   6   5.485  -2.375   1.971
   37   2HG2  THR   6          2HG2      THR   6   6.355  -1.542   0.683
   38   3HG2  THR   6          3HG2      THR   6   4.681  -2.040   0.438
   39    H    GLY   7           H        GLY   7   2.417   0.021   0.344
   40   1HA   GLY   7          2HA       GLY   7   1.163  -0.247  -1.742
   41   2HA   GLY   7          1HA       GLY   7   2.677  -0.658  -2.548
   42    H    THR   8           H        THR   8   0.228  -1.858  -0.290
   43    HA   THR   8           HA       THR   8   0.698  -4.577  -1.238
   44    HB   THR   8           HB       THR   8   0.829  -4.740   1.635
   45    HG1  THR   8           HG1      THR   8   1.831  -2.739   1.551
   46   1HG2  THR   8          1HG2      THR   8   1.916  -6.004  -0.662
   47   2HG2  THR   8          2HG2      THR   8   2.041  -6.527   1.016
   48   3HG2  THR   8          3HG2      THR   8   3.280  -5.481   0.326
   49    H    TRP   9           H        TRP   9  -1.145  -5.730  -1.114
   50    HA   TRP   9           HA       TRP   9  -3.513  -4.427  -0.087
   51   1HB   TRP   9          2HB       TRP   9  -2.894  -6.875  -1.667
   52   2HB   TRP   9          1HB       TRP   9  -4.419  -6.855  -0.782
   53    HD1  TRP   9           HD1      TRP   9  -3.557  -6.328  -4.086
   54    HE1  TRP   9           HE1      TRP   9  -4.877  -4.432  -5.231
   55    HE3  TRP   9           HE3      TRP   9  -5.271  -3.873   0.021
   56    HZ2  TRP   9           HZ2      TRP   9  -6.462  -2.163  -4.487
   57    HZ3  TRP   9           HZ3      TRP   9  -6.690  -1.848  -0.207
   58    HH2  TRP   9           HH2      TRP   9  -7.284  -0.989  -2.458
   59    H    GLY  10           HN       GLY  10  -3.129  -4.351   2.196
   60   1HA   GLY  10          2HA       GLY  10  -4.027  -6.695   3.633
   61   2HA   GLY  10          1HA       GLY  10  -2.302  -6.421   3.878
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -5.924  -0.680   4.176
    2   2H    GLY   1          2H        GLY   1  -7.416  -1.492   4.132
    3   3H    GLY   1          3H        GLY   1  -7.363   0.177   4.441
    4   1HA   GLY   1          2HA       GLY   1  -7.689  -1.058   1.994
    5   2HA   GLY   1          1HA       GLY   1  -7.431   0.662   2.294
    6    H    TYR   2           H        TYR   2  -6.211   0.676   0.252
    7    HA   TYR   2           HA       TYR   2  -3.732  -0.860   0.074
    8   1HB   TYR   2          2HB       TYR   2  -4.970  -0.208  -1.959
    9   2HB   TYR   2          1HB       TYR   2  -4.722   1.493  -1.567
   10    HD1  TYR   2           HD1      TYR   2  -3.103  -1.618  -2.708
   11    HD2  TYR   2           HD2      TYR   2  -2.530   2.538  -1.777
   12    HE1  TYR   2           HE1      TYR   2  -0.893  -1.670  -3.832
   13    HE2  TYR   2           HE2      TYR   2  -0.319   2.484  -2.900
   14    HH   TYR   2           HH       TYR   2   1.025   1.279  -4.251
   15    H    ASP   3           H        ASP   3  -1.677  -0.144   0.585
   16    HA   ASP   3           HA       ASP   3  -1.529   2.480   1.985
   17   1HB   ASP   3          2HB       ASP   3  -0.755   0.111   2.939
   18   2HB   ASP   3          1HB       ASP   3   0.720   0.517   2.059
   19    HA   PRO   4           HA       PRO   4   0.689   3.735  -1.702
   20   1HB   PRO   4          2HB       PRO   4   0.834   6.388  -0.989
   21   2HB   PRO   4          1HB       PRO   4  -0.596   5.645  -1.727
   22   1HG   PRO   4          2HG       PRO   4  -0.150   6.448   1.114
   23   2HG   PRO   4          1HG       PRO   4  -1.666   6.336   0.205
   24   1HD   PRO   4          2HD       PRO   4  -0.729   4.435   2.067
   25   2HD   PRO   4          1HD       PRO   4  -2.024   4.172   0.879
   26    H    GLU   5           H        GLU   5   1.674   3.723   1.558
   27    HA   GLU   5           HA       GLU   5   4.301   4.959   1.089
   28   1HB   GLU   5          2HB       GLU   5   2.856   3.783   3.427
   29   2HB   GLU   5          1HB       GLU   5   4.619   3.821   3.484
   30   1HG   GLU   5          2HG       GLU   5   3.023   6.269   2.734
   31   2HG   GLU   5          1HG       GLU   5   3.360   5.875   4.419
   32    H    THR   6           H        THR   6   3.067   1.691   1.854
   33    HA   THR   6           HA       THR   6   5.690   0.574   1.001
   34    HB   THR   6           HB       THR   6   3.333  -0.649   2.463
   35    HG1  THR   6           HG1      THR   6   4.587  -0.451   4.179
   36   1HG2  THR   6          1HG2      THR   6   4.807  -2.659   2.658
   37   2HG2  THR   6          2HG2      THR   6   5.925  -1.905   1.523
   38   3HG2  THR   6          3HG2      THR   6   4.298  -2.338   1.001
   39    H    GLY   7           H        GLY   7   2.189   0.118   0.437
   40   1HA   GLY   7          2HA       GLY   7   1.195  -0.213  -1.721
   41   2HA   GLY   7          1HA       GLY   7   2.795  -0.552  -2.380
   42    H    THR   8           H        THR   8   0.660  -1.950   0.145
   43    HA   THR   8           HA       THR   8   1.052  -4.597  -1.158
   44    HB   THR   8           HB       THR   8   1.031  -4.521   1.821
   45    HG1  THR   8           HG1      THR   8   3.476  -4.273   0.488
   46   1HG2  THR   8          1HG2      THR   8   2.704  -6.148  -0.099
   47   2HG2  THR   8          2HG2      THR   8   1.054  -6.596   0.333
   48   3HG2  THR   8          3HG2      THR   8   2.303  -6.525   1.577
   49    H    TRP   9           H        TRP   9  -0.677  -6.050  -0.835
   50    HA   TRP   9           HA       TRP   9  -3.144  -4.702   0.009
   51   1HB   TRP   9          2HB       TRP   9  -2.455  -6.670  -2.031
   52   2HB   TRP   9          1HB       TRP   9  -3.864  -7.153  -1.084
   53    HD1  TRP   9           HD1      TRP   9  -3.637  -5.860  -4.191
   54    HE1  TRP   9           HE1      TRP   9  -5.278  -3.942  -4.722
   55    HE3  TRP   9           HE3      TRP   9  -4.854  -4.424   0.543
   56    HZ2  TRP   9           HZ2      TRP   9  -6.898  -2.045  -3.313
   57    HZ3  TRP   9           HZ3      TRP   9  -6.449  -2.561   0.929
   58    HH2  TRP   9           HH2      TRP   9  -7.469  -1.370  -0.993
   59    H    GLY  10           HN       GLY  10  -0.933  -6.324   1.597
   60   1HA   GLY  10          2HA       GLY  10  -2.937  -7.874   3.187
   61   2HA   GLY  10          1HA       GLY  10  -1.321  -8.512   2.877
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -7.397  -2.769   2.348
    2   2H    GLY   1          2H        GLY   1  -7.643  -2.171   3.920
    3   3H    GLY   1          3H        GLY   1  -6.101  -2.699   3.440
    4   1HA   GLY   1          2HA       GLY   1  -7.423  -0.510   1.979
    5   2HA   GLY   1          1HA       GLY   1  -6.591  -0.182   3.501
    6    H    TYR   2           H        TYR   2  -5.976   0.353   0.507
    7    HA   TYR   2           HA       TYR   2  -3.455  -1.102   0.124
    8   1HB   TYR   2          2HB       TYR   2  -4.814  -0.516  -1.833
    9   2HB   TYR   2          1HB       TYR   2  -4.697   1.195  -1.422
   10    HD1  TYR   2           HD1      TYR   2  -2.920  -1.721  -2.777
   11    HD2  TYR   2           HD2      TYR   2  -2.567   2.408  -1.636
   12    HE1  TYR   2           HE1      TYR   2  -0.768  -1.565  -4.001
   13    HE2  TYR   2           HE2      TYR   2  -0.417   2.562  -2.860
   14    HH   TYR   2           HH       TYR   2   0.551   0.598  -5.130
   15    H    ASP   3           H        ASP   3  -1.450  -0.344   0.673
   16    HA   ASP   3           HA       ASP   3  -1.340   2.283   2.054
   17   1HB   ASP   3          2HB       ASP   3  -0.300  -0.180   2.728
   18   2HB   ASP   3          1HB       ASP   3   1.096   0.642   2.031
   19    HA   PRO   4           HA       PRO   4   0.624   3.699  -1.725
   20   1HB   PRO   4          2HB       PRO   4   0.590   6.356  -1.009
   21   2HB   PRO   4          1HB       PRO   4  -0.804   5.508  -1.699
   22   1HG   PRO   4          2HG       PRO   4  -0.326   6.345   1.125
   23   2HG   PRO   4          1HG       PRO   4  -1.859   6.109   0.267
   24   1HD   PRO   4          2HD       PRO   4  -0.698   4.293   2.095
   25   2HD   PRO   4          1HD       PRO   4  -2.020   3.929   0.965
   26    H    GLU   5           H        GLU   5   1.739   3.599   1.446
   27    HA   GLU   5           HA       GLU   5   4.230   5.101   0.965
   28   1HB   GLU   5          2HB       GLU   5   3.183   5.145   3.206
   29   2HB   GLU   5          1HB       GLU   5   3.369   3.394   3.323
   30   1HG   GLU   5          2HG       GLU   5   5.207   4.475   4.508
   31   2HG   GLU   5          1HG       GLU   5   5.836   3.678   3.064
   32    H    THR   6           H        THR   6   3.280   1.720   1.625
   33    HA   THR   6           HA       THR   6   5.929   0.867   0.541
   34    HB   THR   6           HB       THR   6   5.778  -1.068   1.859
   35    HG1  THR   6           HG1      THR   6   3.072  -0.636   2.456
   36   1HG2  THR   6          1HG2      THR   6   5.741   1.209   3.146
   37   2HG2  THR   6          2HG2      THR   6   5.484  -0.288   4.043
   38   3HG2  THR   6          3HG2      THR   6   4.108   0.722   3.601
   39    H    GLY   7           H        GLY   7   2.430   0.252   0.353
   40   1HA   GLY   7          2HA       GLY   7   1.289  -0.198  -1.725
   41   2HA   GLY   7          1HA       GLY   7   2.829  -0.688  -2.433
   42    H    THR   8           H        THR   8   0.325  -1.707  -0.121
   43    HA   THR   8           HA       THR   8   0.777  -4.496  -0.954
   44    HB   THR   8           HB       THR   8   0.618  -4.232   1.979
   45    HG1  THR   8           HG1      THR   8   2.267  -2.971   2.149
   46   1HG2  THR   8          1HG2      THR   8   1.065  -6.267   0.312
   47   2HG2  THR   8          2HG2      THR   8   1.793  -6.215   1.918
   48   3HG2  THR   8          3HG2      THR   8   2.735  -5.735   0.506
   49    H    TRP   9           H        TRP   9  -1.013  -5.839  -0.528
   50    HA   TRP   9           HA       TRP   9  -3.458  -4.321   0.036
   51   1HB   TRP   9          2HB       TRP   9  -2.753  -6.573  -1.679
   52   2HB   TRP   9          1HB       TRP   9  -4.218  -6.876  -0.744
   53    HD1  TRP   9           HD1      TRP   9  -3.788  -6.008  -3.986
   54    HE1  TRP   9           HE1      TRP   9  -5.347  -4.139  -4.844
   55    HE3  TRP   9           HE3      TRP   9  -5.194  -3.954   0.453
   56    HZ2  TRP   9           HZ2      TRP   9  -6.981  -2.043  -3.774
   57    HZ3  TRP   9           HZ3      TRP   9  -6.756  -2.023   0.516
   58    HH2  TRP   9           HH2      TRP   9  -7.645  -1.064  -1.590
   59    H    GLY  10           HN       GLY  10  -1.470  -6.876   1.317
   60   1HA   GLY  10          2HA       GLY  10  -3.431  -7.180   3.557
   61   2HA   GLY  10          1HA       GLY  10  -2.542  -8.562   2.915
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  -6.028  -1.352   4.992
    2   2H    GLY   1          2H        GLY   1  -7.489  -0.496   4.858
    3   3H    GLY   1          3H        GLY   1  -6.025   0.240   4.407
    4   1HA   GLY   1          2HA       GLY   1  -7.120  -2.171   3.072
    5   2HA   GLY   1          1HA       GLY   1  -7.413  -0.527   2.503
    6    H    TYR   2           H        TYR   2  -6.008   0.137   0.966
    7    HA   TYR   2           HA       TYR   2  -3.474  -1.324   0.598
    8   1HB   TYR   2          2HB       TYR   2  -4.872  -0.749  -1.368
    9   2HB   TYR   2          1HB       TYR   2  -4.674   0.964  -0.996
   10    HD1  TYR   2           HD1      TYR   2  -3.015  -2.080  -2.235
   11    HD2  TYR   2           HD2      TYR   2  -2.512   2.083  -1.292
   12    HE1  TYR   2           HE1      TYR   2  -0.860  -2.060  -3.463
   13    HE2  TYR   2           HE2      TYR   2  -0.359   2.101  -2.522
   14    HH   TYR   2           HH       TYR   2   1.258   0.757  -3.411
   15    H    ASP   3           H        ASP   3  -1.408  -0.232   0.572
   16    HA   ASP   3           HA       ASP   3  -1.410   2.344   2.090
   17   1HB   ASP   3          2HB       ASP   3  -0.619   0.382   3.431
   18   2HB   ASP   3          1HB       ASP   3   0.674   0.150   2.252
   19    HA   PRO   4           HA       PRO   4   0.793   3.499  -1.642
   20   1HB   PRO   4          2HB       PRO   4   0.745   6.196  -1.108
   21   2HB   PRO   4          1HB       PRO   4  -0.621   5.313  -1.812
   22   1HG   PRO   4          2HG       PRO   4  -0.279   6.340   0.970
   23   2HG   PRO   4          1HG       PRO   4  -1.768   6.051   0.054
   24   1HD   PRO   4          2HD       PRO   4  -0.709   4.360   2.057
   25   2HD   PRO   4          1HD       PRO   4  -1.987   3.930   0.899
   26    H    GLU   5           H        GLU   5   1.683   3.770   1.631
   27    HA   GLU   5           HA       GLU   5   4.175   5.232   1.256
   28   1HB   GLU   5          2HB       GLU   5   2.663   4.601   3.446
   29   2HB   GLU   5          1HB       GLU   5   3.955   3.406   3.572
   30   1HG   GLU   5          2HG       GLU   5   4.931   5.188   4.693
   31   2HG   GLU   5          1HG       GLU   5   5.498   5.495   3.050
   32    H    THR   6           H        THR   6   3.214   1.824   1.446
   33    HA   THR   6           HA       THR   6   5.993   1.096   0.602
   34    HB   THR   6           HB       THR   6   3.966  -0.419   2.266
   35    HG1  THR   6           HG1      THR   6   6.428   0.813   2.642
   36   1HG2  THR   6          1HG2      THR   6   5.536  -2.319   2.191
   37   2HG2  THR   6          2HG2      THR   6   6.549  -1.436   1.050
   38   3HG2  THR   6          3HG2      THR   6   4.925  -1.940   0.582
   39    H    GLY   7           H        GLY   7   2.608  -0.058   0.388
   40   1HA   GLY   7          2HA       GLY   7   1.559  -0.280  -1.837
   41   2HA   GLY   7          1HA       GLY   7   3.147  -0.706  -2.478
   42    H    THR   8           H        THR   8   0.469  -1.867  -0.481
   43    HA   THR   8           HA       THR   8   1.067  -4.615  -1.304
   44    HB   THR   8           HB       THR   8   0.836  -4.232   1.651
   45    HG1  THR   8           HG1      THR   8   3.330  -4.241   0.339
   46   1HG2  THR   8          1HG2      THR   8   2.470  -6.197   0.040
   47   2HG2  THR   8          2HG2      THR   8   0.763  -6.457   0.403
   48   3HG2  THR   8          3HG2      THR   8   1.935  -6.344   1.715
   49    H    TRP   9           H        TRP   9  -0.696  -6.017  -0.979
   50    HA   TRP   9           HA       TRP   9  -3.200  -4.572  -0.451
   51   1HB   TRP   9          2HB       TRP   9  -2.372  -6.604  -2.333
   52   2HB   TRP   9          1HB       TRP   9  -3.792  -7.137  -1.429
   53    HD1  TRP   9           HD1      TRP   9  -3.517  -5.947  -4.556
   54    HE1  TRP   9           HE1      TRP   9  -5.237  -4.137  -5.217
   55    HE3  TRP   9           HE3      TRP   9  -4.951  -4.409   0.070
   56    HZ2  TRP   9           HZ2      TRP   9  -6.997  -2.270  -3.925
   57    HZ3  TRP   9           HZ3      TRP   9  -6.649  -2.614   0.345
   58    HH2  TRP   9           HH2      TRP   9  -7.670  -1.544  -1.647
   59    H    GLY  10           HN       GLY  10  -2.839  -4.748   1.918
   60   1HA   GLY  10          2HA       GLY  10  -3.950  -7.293   2.934
   61   2HA   GLY  10          1HA       GLY  10  -2.378  -6.811   3.574