*HEADER    PLANT PROTEIN                           17-NOV-99   1DF6              
*TITLE     1H NMR SOLUTION STRUCTURE OF CYCLOVIOLACIN O1                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLOVIOLACIN O1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: CYCLIC CYSTINE KNOT POLYPEPTIDE                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIOLA ODORATA;                                  
*SOURCE   3 ORGANISM_COMMON: PLANT;                                              
*SOURCE   4 OTHER_DETAILS: LEAVES, STEMS AND FLOWERS                             
*KEYWDS    CYCLIC CYSTINE KNOT, BACKBONE CYCLIC, 3-10 HELIX, DOUBLE-             
*KEYWDS   2 STRANDED ANTI- PARALLEL BETA-SHEET, HAIRPIN BENDS, LOOPS             
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    D.J.CRAIK, N.L.DALY, T.BOND, C.WAINE                                  
*REVDAT   1   01-MAR-00 1DF6    0                                                
! vo1559 NOE table 
!
! residue 1 (ser)
assign (resid 1 and name HN ) (resid 1 and name HA ) 0 0 3.5 !
assign (resid 1 and name HN ) (resid 1 and name HB* ) 0 0 3.7 !60
assign (resid 1 and name HN ) (resid 1 and name HB* ) 0 0 3.7 !61
assign (resid 1 and name HA ) (resid 1 and name HB* ) 0 0 3.7 !a49
assign (resid 1 and name HA ) (resid 1 and name HB* ) 0 0 3.7 !a48
assign (resid 1 and name HB1 ) (resid 1 and name HB2 ) 0 0 2.7 !a156
assign (resid 1 and name HB* ) (resid 2 and name HN ) 0 0 3.7 !159
assign (resid 1 and name HB* ) (resid 2 and name HN ) 0 0 3.7 !160
assign (resid 1 and name HA ) (resid 2 and name HN ) 0 0 3.5 !
assign (resid 1 and name HA ) (resid 2 and name HA ) 0 0 5.0 !a1
assign (resid 1 and name HB* ) (resid 3 and name HN ) 0 0 7.0 !207
assign (resid 1 and name HB* ) (resid 3 and name HN ) 0 0 7.0 !208
assign (resid 1 and name HB* ) (resid 3 and name HG2* ) 0 0 6.0 !a157
assign (resid 1 and name HA ) (resid 21 and name HA ) 0 0 2.7 !a46
assign (resid 1 and name HB* ) (resid 21 and name HA ) 0 0 4.5 !a110
assign (resid 1 and name HB* ) (resid 21 and name HA ) 0 0 4.5 !a111
assign (resid 1 and name HA ) (resid 22 and name HB* ) 0 0 6.0 !a54
assign (resid 1 and name HA ) (resid 22 and name HB* ) 0 0 6.0 !a55
assign (resid 1 and name HN ) (resid 30 and name HN ) 0 0 6.0 !58
assign (resid 1 and name HN ) (resid 30 and name HA ) 0 0 3.5 !59
assign (resid 1 and name HN ) (resid 30 and name HG* ) 0 0 4.5 !62
assign (resid 1 and name HN ) (resid 30 and name HG* ) 0 0 4.5 !63
assign (resid 1 and name HN ) (resid 30 and name HB* ) 0 0 4.5 !64
assign (resid 1 and name HN ) (resid 30 and name HB* ) 0 0 4.5 !65

! residue 2 (cys)
assign (resid 2 and name HN ) (resid 2 and name HA ) 0 0 3.5 !146
assign (resid 2 and name HN ) (resid 2 and name HB* ) 0 0 4.5 !162
assign (resid 2 and name HN ) (resid 2 and name HB* ) 0 0 4.5 !163
assign (resid 2 and name HA ) (resid 2 and name HB* ) 0 0 3.7 !a5
assign (resid 2 and name HA ) (resid 2 and name HB* ) 0 0 3.7 !a6
assign (resid 2 and name HB1 ) (resid 2 and name HB2 ) 0 0 2.7 !a219
assign (resid 2 and name HN ) (resid 3 and name HG2* ) 0 0 6.5 !153
assign (resid 2 and name HB* ) (resid 3 and name HN ) 0 0 6.0 !207
assign (resid 2 and name HB* ) (resid 3 and name HN ) 0 0 6.0 !208
assign (resid 2 and name HA ) (resid 3 and name HN ) 0 0 2.7 !206
assign (resid 2 and name HA ) (resid 3 and name HA ) 0 0 5.0 !a4
assign (resid 2 and name HA ) (resid 4 and name HN ) 0 0 6.0 !
assign (resid 2 and name HA ) (resid 5 and name HN ) 0 0 5.0 !266
assign (resid 2 and name HA ) (resid 5 and name HB ) 0 0 6.0 !a8
assign (resid 2 and name HA ) (resid 6 and name HA ) 0 0 5.0 !a2
assign (resid 2 and name HB* ) (resid 6 and name HA ) 0 0 4.5 !a105
assign (resid 2 and name HB* ) (resid 6 and name HA ) 0 0 4.5 !a106
assign (resid 2 and name HB* ) (resid 6 and name HB* ) 0 0 8.0 !a221
assign (resid 2 and name HB* ) (resid 7 and name HN ) 0 0 6.0 !123
assign (resid 2 and name HB* ) (resid 7 and name HN ) 0 0 6.0 !124
assign (resid 2 and name HB* ) (resid 7 and name HA ) 0 0 6.0 !a158
assign (resid 2 and name HB* ) (resid 7 and name HA ) 0 0 6.0 !a159
assign (resid 2 and name HB* ) (resid 17 and name HA ) 0 0 7.0 !a87
assign (resid 2 and name HB* ) (resid 17 and name HA ) 0 0 7.0 !a87-1
assign (resid 2 and name HB* ) (resid 17 and name HB* ) 0 0 5.5 !a220
assign (resid 2 and name HA ) (resid 20 and name HG* ) 0 0 6.0 !a9
assign (resid 2 and name HN ) (resid 21 and name HA ) 0 0 3.5 !158

! residue 3 (val)
assign (resid 3 and name HN ) (resid 3 and name HA ) 0 0 2.7 !209
assign (resid 3 and name HN ) (resid 3 and name HB ) 0 0 3.5 !212
assign (resid 3 and name HN ) (resid 3 and name HG2* ) 0 0 4.2 !215
assign (resid 3 and name HN ) (resid 3 and name HG1* ) 0 0 5.0 !216
assign (resid 3 and name HA ) (resid 3 and name HB ) 0 0 3.5 !a215
assign (resid 3 and name HA ) (resid 3 and name HG2* ) 0 0 4.2 !a217
assign (resid 3 and name HA ) (resid 3 and name HG1* ) 0 0 4.2 !a218
assign (resid 3 and name HB ) (resid 3 and name HG2* ) 0 0 4.2 !a306
assign (resid 3 and name HB ) (resid 3 and name HG1* ) 0 0 4.2 !a310
assign (resid 3 and name HG1* ) (resid 3 and name HG2* ) 0 0 5.7 !a317
assign (resid 3 and name HN ) (resid 4 and name HN ) 0 0 3.5 !143
assign (resid 3 and name HA ) (resid 4 and name HN ) 0 0 3.5 !161
assign (resid 3 and name HB ) (resid 4 and name HN ) 0 0 2.7 !150
assign (resid 3 and name HG2* ) (resid 4 and name HN ) 0 0 4.2 !153 
assign (resid 3 and name HG1* ) (resid 4 and name HN ) 0 0 4.2 !154 
assign (resid 3 and name HG1* ) (resid 4 and name HD* ) 0 0 6.2 !310   
assign (resid 3 and name HG2* ) (resid 4 and name HD* ) 0 0 7.0 !309-1 
assign (resid 3 and name HG1* ) (resid 4 and name HE* ) 0 0 6.2 !338
assign (resid 3 and name HB ) (resid 4 and name HD* ) 0 0 5.5 !308
assign (resid 3 and name HB ) (resid 4 and name HE* ) 0 0 8.0 !335
assign (resid 3 and name HG1* ) (resid 4 and name HB2 ) 0 0 6.5 !a224
assign (resid 3 and name HG1* ) (resid 4 and name HB1 ) 0 0 6.5 !a264
assign (resid 3 and name HG1* ) (resid 4 and name HA ) 0 0 5.0 !a70
assign (resid 3 and name HA ) (resid 5 and name HN ) 0 0 6.0 !267
assign (resid 3 and name HB ) (resid 5 and name HN ) 0 0 5.0 !273
assign (resid 3 and name HG1* ) (resid 5 and name HN ) 0 0 7.5 !277
assign (resid 3 and name HN ) (resid 5 and name HG1* ) 0 0 7.5 !213
assign (resid 3 and name HN ) (resid 5 and name HG2* ) 0 0 7.5 !214
assign (resid 3 and name HN ) (resid 20 and name HB* ) 0 0 6.0 !221
assign (resid 3 and name HA ) (resid 20 and name HD* ) 0 0 4.5 !a212
assign (resid 3 and name HA ) (resid 20 and name HB* ) 0 0 6.0 !a213
assign (resid 3 and name HA ) (resid 20 and name HB* ) 0 0 6.0 !a214
assign (resid 3 and name HA ) (resid 20 and name HG* ) 0 0 4.5 !a216
assign (resid 3 and name HG2* ) (resid 20 and name HA ) 0 0 6.5 !a211
assign (resid 3 and name HG1* ) (resid 20 and name HD* ) 0 0 6.0 !a235
assign (resid 3 and name HG1* ) (resid 20 and name HD* ) 0 0 6.0 !a245
assign (resid 3 and name HG2* ) (resid 20 and name HD* ) 0 0 6.0 !a234
assign (resid 3 and name HG2* ) (resid 20 and name HD* ) 0 0 6.0 !a244
assign (resid 3 and name HG1* ) (resid 20 and name HB* ) 0 0 7.5 !a277
assign (resid 3 and name HG1* ) (resid 20 and name HB* ) 0 0 7.5 !a298
assign (resid 3 and name HG2* ) (resid 20 and name HB* ) 0 0 7.5 !a276
assign (resid 3 and name HG2* ) (resid 20 and name HB* ) 0 0 7.5 !a296-1

! residue 4 (tyr)
assign (resid 4 and name HN ) (resid 4 and name HA ) 0 0 5.0 !147
assign (resid 4 and name HN ) (resid 4 and name HB1 ) 0 0 3.5 !148
assign (resid 4 and name HN ) (resid 4 and name HB2 ) 0 0 3.5 !149
assign (resid 4 and name HA ) (resid 4 and name HB2 ) 0 0 3.5 !a73
assign (resid 4 and name HA ) (resid 4 and name HB1 ) 0 0 2.7 !a72
assign (resid 4 and name HE* ) (resid 4 and name HB1 ) 0 0 8.0 !
assign (resid 4 and name HE* ) (resid 4 and name HB2 ) 0 0 8.0 !
assign (resid 4 and name HD* ) (resid 4 and name HB1 ) 0 0 4.7 !304
assign (resid 4 and name HD* ) (resid 4 and name HB2 ) 0 0 4.7 !306
assign (resid 4 and name HB1 ) (resid 4 and name HB2 ) 0 0 2.7 !a222
assign (resid 4 and name HB1 ) (resid 5 and name HN ) 0 0 3.5 !268
assign (resid 4 and name HB2 ) (resid 5 and name HN ) 0 0 3.5 !270
assign (resid 4 and name HN ) (resid 5 and name HN ) 0 0 2.7 !144
assign (resid 4 and name HN ) (resid 5 and name HG1* ) 0 0 6.0 !151
assign (resid 4 and name HN ) (resid 5 and name HG2* ) 0 0 6.5 !152
assign (resid 4 and name HN ) (resid 5 and name HB ) 0 0 5.0 !164
assign (resid 4 and name HD* ) (resid 5 and name HG1* ) 0 0 9.5 !309
assign (resid 4 and name HB1 ) (resid 5 and name HG2* ) 0 0 5.0 !a223
assign (resid 4 and name HB2 ) (resid 5 and name HG2* ) 0 0 5.0 !a263
assign (resid 4 and name HB1 ) (resid 20 and name HG* ) 0 0 7.0 !a222-1
assign (resid 4 and name HB2 ) (resid 20 and name HG* ) 0 0 7.0 !a261

! residue 5 (ile)
assign (resid 5 and name HN ) (resid 5 and name HA ) 0 0 2.7 !
assign (resid 5 and name HN ) (resid 5 and name HB ) 0 0 3.5 !272
assign (resid 5 and name HN ) (resid 5 and name HG1* ) 0 0 3.7 !274
assign (resid 5 and name HN ) (resid 5 and name HG2* ) 0 0 4.2 !275
assign (resid 5 and name HN ) (resid 5 and name HD1* ) 0 0 6.5 !276
assign (resid 5 and name HA ) (resid 5 and name HB ) 0 0 2.7 !a58
assign (resid 5 and name HA ) (resid 5 and name HG2* ) 0 0 4.2 !a63
assign (resid 5 and name HA ) (resid 6 and name HD* ) 0 0 3.7 !a50
assign (resid 5 and name HA ) (resid 6 and name HD* ) 0 0 3.7 !a51
assign (resid 5 and name HA ) (resid 6 and name HB* ) 0 0 7.0 !a56
assign (resid 5 and name HA ) (resid 6 and name HG* ) 0 0 6.0 !a59
assign (resid 5 and name HG* ) (resid 6 and name HD1 ) 0 0 5.0 !a183
assign (resid 5 and name HG* ) (resid 6 and name HD2 ) 0 0 5.0 !a204

! residue 6 (pro)
assign (resid 6 and name HA ) (resid 6 and name HB* ) 0 0 3.7 !a108
assign (resid 6 and name HA ) (resid 6 and name HG* ) 0 0 4.5 !a109
assign (resid 6 and name HA ) (resid 6 and name HG* ) 0 0 4.5 !a109-1
assign (resid 6 and name HA ) (resid 6 and name HD* ) 0 0 6.0 !a103
assign (resid 6 and name HA ) (resid 6 and name HD* ) 0 0 6.0 !a104
assign (resid 6 and name HD* ) (resid 6 and name HD2 ) 0 0 2.7 !a178
assign (resid 6 and name HD* ) (resid 6 and name HB* ) 0 0 5.5 !a179
assign (resid 6 and name HD* ) (resid 6 and name HG* ) 0 0 5.5 !a180
assign (resid 6 and name HD* ) (resid 6 and name HG* ) 0 0 5.5 !a181
assign (resid 6 and name HD* ) (resid 6 and name HB* ) 0 0 5.5 !a199
assign (resid 6 and name HD* ) (resid 6 and name HG* ) 0 0 5.5 !a200
assign (resid 6 and name HD* ) (resid 6 and name HG* ) 0 0 5.5 !a201
assign (resid 6 and name HB* ) (resid 7 and name HN ) 0 0 3.7 !128
assign (resid 6 and name HB* ) (resid 7 and name HN ) 0 0 3.7 !129
assign (resid 6 and name HG* ) (resid 7 and name HN ) 0 0 4.5 !130
assign (resid 6 and name HA ) (resid 7 and name HN ) 0 0 3.5 !121
assign (resid 6 and name HA ) (resid 7 and name HA ) 0 0 5.0 !a92
assign (resid 6 and name HG* ) (resid 8 and name HN ) 0 0 7.0 !85
assign (resid 6 and name HG* ) (resid 8 and name HN ) 0 0 7.0 !86
assign (resid 6 and name HD* ) (resid 20 and name HG* ) 0 0 8.0 !a182
assign (resid 6 and name HD* ) (resid 20 and name HG* ) 0 0 8.0 !a202

! residue 7 (cys)
assign (resid 7 and name HN ) (resid 7 and name HA ) 0 0 3.5 !122
assign (resid 7 and name HN ) (resid 7 and name HB2 ) 0 0 3.5 !126
assign (resid 7 and name HN ) (resid 7 and name HB1 ) 0 0 3.5 !127
assign (resid 7 and name HA ) (resid 7 and name HB2 ) 0 0 2.7 !a160
assign (resid 7 and name HA ) (resid 7 and name HB1 ) 0 0 3.5 !a162
assign (resid 7 and name HB1 ) (resid 7 and name HB2 ) 0 0 2.7 !a255
assign (resid 7 and name HB1 ) (resid 8 and name HN ) 0 0 6.0 !84
assign (resid 7 and name HB2 ) (resid 8 and name HN ) 0 0 5.0 !83
assign (resid 7 and name HN ) (resid 8 and name HG2* ) 0 0 7.5 !131
assign (resid 7 and name HN ) (resid 8 and name HN ) 0 0 5.0 !81
assign (resid 7 and name HA ) (resid 8 and name HG2* ) 0 0 7.5 !a165
assign (resid 7 and name HB* ) (resid 10 and name HN ) 0 0 7.0 !115
assign (resid 7 and name HA ) (resid 11 and name HB* ) 0 0 7.5 !a164
assign (resid 7 and name HB2 ) (resid 11 and name HB* ) 0 0 6.5 !a257
assign (resid 7 and name HB1 ) (resid 11 and name HB* ) 0 0 6.5 !a268
assign (resid 7 and name HA ) (resid 30 and name HG* ) 0 0 6.0 !a163
assign (resid 7 and name HA ) (resid 30 and name HG* ) 0 0 6.0 !a161

! residue 8 (thr)
assign (resid 8 and name HN ) (resid 8 and name HA ) 0 0 3.5 !82
assign (resid 8 and name HN ) (resid 8 and name HG2* ) 0 0 4.2 !88
assign (resid 8 and name HA ) (resid 8 and name HG2* ) 0 0 4.2 !a141
assign (resid 8 and name HB ) (resid 8 and name HG2* ) 0 0 4.2 !a152
assign (resid 8 and name HA ) (resid 8 and name HB ) 0 0 2.7 !a133-1
assign (resid 8 and name HN ) (resid 9 and name HG2* ) 0 0 6.5 !89 
assign (resid 8 and name HA ) (resid 9 and name HN ) 0 0 2.7 !68
assign (resid 8 and name HG2* ) (resid 9 and name HN ) 0 0 5.0 !71
assign (resid 8 and name HN ) (resid 9 and name HN ) 0 0 5.0 !66
assign (resid 8 and name HB ) (resid 9 and name HG2* ) 0 0 5.0 !a154
assign (resid 8 and name HG2* ) (resid 9 and name HA ) 0 0 6.5 !a167
assign (resid 8 and name HA ) (resid 10 and name HN ) 0 0 5.0 !113
assign (resid 8 and name HN ) (resid 10 and name HN ) 0 0 5.0 !80
assign (resid 8 and name HG2* ) (resid 10 and name HN ) 0 0 7.5 !117-1
assign (resid 8 and name HA ) (resid 11 and name HN ) 0 0 6.0 !201
assign (resid 8 and name HN ) (resid 11 and name HB* ) 0 0 7.5 !87
assign (resid 8 and name HA ) (resid 11 and name HB* ) 0 0 6.5 !a139-1
assign (resid 8 and name HB ) (resid 11 and name HB* ) 0 0 7.5 !a151

! residue 9 (val)
assign (resid 9 and name HN ) (resid 9 and name HA ) 0 0 3.5 !69
assign (resid 9 and name HN ) (resid 9 and name HB ) 0 0 3.5 !70 a
assign (resid 9 and name HN ) (resid 9 and name HG2* ) 0 0 4.2 !72
assign (resid 9 and name HN ) (resid 9 and name HG1* ) 0 0 6.5 !73
assign (resid 9 and name HA ) (resid 9 and name HB ) 0 0 3.5 !a166
assign (resid 9 and name HA ) (resid 9 and name HG2* ) 0 0 4.2 !a169
assign (resid 9 and name HA ) (resid 9 and name HG1* ) 0 0 4.2 !a170
assign (resid 9 and name HB ) (resid 9 and name HG2* ) 0 0 4.2 !a286
assign (resid 9 and name HB ) (resid 9 and name HG1* ) 0 0 4.2 !a287
assign (resid 9 and name HB ) (resid 10 and name HG2* ) 0 0 5.0 !a285
assign (resid 9 and name HA ) (resid 10 and name HG2* ) 0 0 6.5 !a168
assign (resid 9 and name HA ) (resid 10 and name HN ) 0 0 3.5 !114
assign (resid 9 and name HB ) (resid 10 and name HN ) 0 0 2.7 !116
assign (resid 9 and name HG2* ) (resid 10 and name HN ) 0 0 5.0 !119 
assign (resid 9 and name HG1* ) (resid 10 and name HN ) 0 0 4.2 !120 
assign (resid 9 and name HN ) (resid 10 and name HN ) 0 0 2.7 !67
assign (resid 9 and name HN ) (resid 10 and name HG2* ) 0 0 7.5 !71-1
assign (resid 9 and name HB ) (resid 10 and name HB ) 0 0 6.0 !a128-1

! residue 10 (thr)
assign (resid 10 and name HN ) (resid 10 and name HA ) 0 0 3.5 !112 a
assign (resid 10 and name HN ) (resid 10 and name HG2* ) 0 0 5.0 !118
assign (resid 10 and name HA ) (resid 10 and name HB ) 0 0 2.7 !a27
assign (resid 10 and name HA ) (resid 10 and name HG2* ) 0 0 4.2 !a37
assign (resid 10 and name HB ) (resid 10 and name HG2* ) 0 0 4.2 !a131
assign (resid 10 and name HN ) (resid 11 and name HN ) 0 0 3.5 !111
assign (resid 10 and name HN ) (resid 11 and name HB* ) 0 0 6.5 !117
assign (resid 10 and name HG2* ) (resid 11 and name HN ) 0 0 7.5 !204
assign (resid 10 and name HA ) (resid 11 and name HN ) 0 0 5.0 !200
assign (resid 10 and name HA ) (resid 12 and name HN ) 0 0 6.0 !219
assign (resid 10 and name HA ) (resid 13 and name HN ) 0 0 5.0 !279
assign (resid 10 and name HA ) (resid 13 and name HB* ) 0 0 6.0 !34
assign (resid 10 and name HA ) (resid 13 and name HB* ) 0 0 6.0 !35
assign (resid 10 and name HB ) (resid 13 and name HB* ) 0 0 6.0 !a129
assign (resid 10 and name HB ) (resid 13 and name HB* ) 0 0 6.0 !a128
assign (resid 10 and name HB ) (resid 13 and name HD* ) 0 0 6.5 !a133
assign (resid 10 and name HB ) (resid 13 and name HD* ) 0 0 6.5 !a132
assign (resid 10 and name HB ) (resid 13 and name HG ) 0 0 5.0 !a130
assign (resid 10 and name HA ) (resid 13 and name HG ) 0 0 5.0 !a36
assign (resid 10 and name HA ) (resid 13 and name HD* ) 0 0 6.5 !a38
assign (resid 10 and name HA ) (resid 15 and name HB* ) 0 0 4.5 !a33
assign (resid 10 and name HA ) (resid 15 and name HB* ) 0 0 4.5 !a28
assign (resid 10 and name HB ) (resid 15 and name HB* ) 0 0 6.0 !a124
assign (resid 10 and name HB ) (resid 15 and name HB* ) 0 0 7.0 !a127
assign (resid 10 and name HG2* ) (resid 15 and name HB* ) 0 0 7.5 !a203
assign (resid 10 and name HG2* ) (resid 22 and name HB* ) 0 0 7.5 !a250
assign (resid 10 and name HG2* ) (resid 22 and name HB* ) 0 0 7.5 !a269
assign (resid 10 and name HA ) (resid 28 and name HB* ) 0 0 4.5 !a29
assign (resid 10 and name HA ) (resid 28 and name HB* ) 0 0 4.5 !a30
assign (resid 10 and name HB ) (resid 28 and name HB* ) 0 0 7.0 !a125
assign (resid 10 and name HB ) (resid 28 and name HB* ) 0 0 7.0 !a126
assign (resid 10 and name HG2* ) (resid 28 and name HA ) 0 0 6.5 !a62
assign (resid 10 and name HG2* ) (resid 28 and name HB* ) 0 0 5.2 !a228
assign (resid 10 and name HG2* ) (resid 28 and name HB* ) 0 0 5.2 !a243
assign (resid 10 and name HG2* ) (resid 29 and name HN ) 0 0 7.5 !109
assign (resid 10 and name HG2* ) (resid 30 and name HN ) 0 0 7.5 !235
assign (resid 10 and name HG2* ) (resid 30 and name HA ) 0 0 6.5 !a120
assign (resid 10 and name HG2* ) (resid 30 and name HG* ) 0 0 7.5 !a262
assign (resid 10 and name HG2* ) (resid 30 and name HG* ) 0 0 7.5 !a272

! residue 11 (ala)
assign (resid 11 and name HN ) (resid 11 and name HA ) 0 0 2.7 !199
assign (resid 11 and name HN ) (resid 11 and name HB* ) 0 0 4.2 !203
assign (resid 11 and name HA ) (resid 11 and name HB* ) 0 0 4.2 !a100
assign (resid 11 and name HA ) (resid 12 and name HN ) 0 0 3.5 !218
assign (resid 11 and name HB* ) (resid 12 and name HN ) 0 0 4.2 !223
assign (resid 11 and name HB* ) (resid 13 and name HN ) 0 0 7.5 !284
assign (resid 11 and name HB* ) (resid 14 and name HN ) 0 0 7.5 !173
assign (resid 11 and name HB* ) (resid 15 and name HN ) 0 0 7.5 !262
assign (resid 11 and name HA ) (resid 15 and name HB* ) 0 0 7.0 !a96-1
assign (resid 11 and name HA ) (resid 15 and name HN ) 0 0 5.0 !255*

! resdiue 12 (leu)
assign (resid 12 and name HN ) (resid 12 and name HA ) 0 0 2.7 !220
assign (resid 12 and name HN ) (resid 12 and name HB* ) 0 0 3.7 !222
assign (resid 12 and name HN ) (resid 12 and name HG ) 0 0 3.5 !222-1
assign (resid 12 and name HN ) (resid 12 and name HD* ) 0 0 6.0 !215-1 [3.5+2.5]
assign (resid 12 and name HB* ) (resid 12 and name HD* ) 0 0 9.0 !a303
assign (resid 12 and name HB* ) (resid 12 and name HD* ) 0 0 9.0 !a304
assign (resid 12 and name HA ) (resid 13 and name HN ) 0 0 3.5 !280
assign (resid 12 and name HN ) (resid 13 and name HN ) 0 0 3.5 !217
assign (resid 12 and name HA ) (resid 14 and name HN ) 0 0 5.0 !168

! residue 13 (leu)
assign (resid 13 and name HN ) (resid 13 and name HA ) 0 0 2.7 !278
assign (resid 13 and name HN ) (resid 13 and name HB* ) 0 0 3.7 !281
assign (resid 13 and name HN ) (resid 13 and name HB* ) 0 0 3.7 !282
assign (resid 13 and name HN ) (resid 13 and name HG ) 0 0 3.5 !283
assign (resid 13 and name HN ) (resid 13 and name HD* ) 0 0 6.5 !285
assign (resid 13 and name HN ) (resid 13 and name HD* ) 0 0 6.5 !286
assign (resid 13 and name HA ) (resid 13 and name HB* ) 0 0 3.7 !a97
assign (resid 13 and name HA ) (resid 13 and name HB* ) 0 0 3.7 !a98
assign (resid 13 and name HA ) (resid 13 and name HG ) 0 0 3.5 !a99
assign (resid 13 and name HA ) (resid 13 and name HD* ) 0 0 6.5 !a102
assign (resid 13 and name HA ) (resid 13 and name HD* ) 0 0 6.5 !a101
assign (resid 13 and name HB1 ) (resid 13 and name HB2 ) 0 0 2.7 !a288
assign (resid 13 and name HB* ) (resid 13 and name HD* ) 0 0 6.7 !a292
assign (resid 13 and name HB* ) (resid 13 and name HD* ) 0 0 6.7 !a291
assign (resid 13 and name HB* ) (resid 13 and name HG ) 0 0 3.7 !a299
assign (resid 13 and name HB* ) (resid 13 and name HD* ) 0 0 6.7 !a300
assign (resid 13 and name HB* ) (resid 13 and name HD* ) 0 0 6.7 !a301
assign (resid 13 and name HG ) (resid 13 and name HD* ) 0 0 6.5 !a309
assign (resid 13 and name HG ) (resid 13 and name HD* ) 0 0 6.5 !a308
assign (resid 13 and name HN ) (resid 14 and name HN ) 0 0 3.5 !166
assign (resid 13 and name HA ) (resid 14 and name HN ) 0 0 3.5 !167
assign (resid 13 and name HB* ) (resid 14 and name HN ) 0 0 7.0 !171
assign (resid 13 and name HB* ) (resid 14 and name HN ) 0 0 7.0 !164-1
assign (resid 13 and name HA ) (resid 15 and name HN ) 0 0 5.0 !255
assign (resid 13 and name HN ) (resid 15 and name HN ) 0 0 5.0 !253
assign (resid 13 and name HB* ) (resid 15 and name HN ) 0 0 7.0 !260 
assign (resid 13 and name HB* ) (resid 15 and name HN ) 0 0 7.0 !261 
assign (resid 13 and name HB* ) (resid 24 and name HD22 ) 0 0 6.0 !
assign (resid 13 and name HB* ) (resid 24 and name HD21 ) 0 0 6.0 !343
assign (resid 13 and name HD* ) (resid 24 and name HD21 ) 0 0 9.0 !345 
assign (resid 13 and name HD* ) (resid 24 and name HD21 ) 0 0 9.0 !344
assign (resid 13 and name HD* ) (resid 26 and name HN ) 0 0 8.0 !252 

! residue 14 (gly)
assign (resid 14 and name HN ) (resid 14 and name HA1 ) 0 0 3.5 !169 a
assign (resid 14 and name HN ) (resid 14 and name HA2 ) 0 0 3.5 !170 a
assign (resid 14 and name HA* ) (resid 15 and name HN ) 0 0 6.0 !256
assign (resid 14 and name HA* ) (resid 15 and name HN ) 0 0 6.0 !257
assign (resid 14 and name HN ) (resid 15 and name HN ) 0 0 3.5 !165

! residue 15 (cys)
assign (resid 15 and name HN ) (resid 15 and name HA ) 0 0 3.5 !
assign (resid 15 and name HN ) (resid 15 and name HB1 ) 0 0 3.5 !258
assign (resid 15 and name HN ) (resid 15 and name HB2 ) 0 0 3.5 !259
assign (resid 15 and name HA ) (resid 15 and name HB* ) 0 0 3.7 !a41
assign (resid 15 and name HA ) (resid 15 and name HB* ) 0 0 3.7 !a45
assign (resid 15 and name HB* ) (resid 15 and name HB* ) 0 0 4.7 !a198
assign (resid 15 and name HA ) (resid 16 and name HN ) 0 0 3.5 !
assign (resid 15 and name HB* ) (resid 16 and name HN ) 0 0 4.5 !36
assign (resid 15 and name HB* ) (resid 16 and name HN ) 0 0 4.5 !40
assign (resid 15 and name HB* ) (resid 22 and name HA ) 0 0 6.0 !a66
assign (resid 15 and name HB* ) (resid 22 and name HA ) 0 0 6.0 !a69
assign (resid 15 and name HB* ) (resid 22 and name HB* ) 0 0 5.5 !a194
assign (resid 15 and name HB* ) (resid 22 and name HB* ) 0 0 5.5 !a197
assign (resid 15 and name HB* ) (resid 22 and name HB* ) 0 0 5.5 !a265
assign (resid 15 and name HB* ) (resid 22 and name HB* ) 0 0 5.5 !a247
assign (resid 15 and name HB1 ) (resid 23 and name HN ) 0 0 5.0 !6
assign (resid 15 and name HB2 ) (resid 23 and name HN ) 0 0 5.0 !11
assign (resid 15 and name HB* ) (resid 23 and name HA ) 0 0 7.0 !a20
assign (resid 15 and name HB* ) (resid 23 and name HB* ) 0 0 7.0 !a195
assign (resid 15 and name HA ) (resid 24 and name HB1 ) 0 0 5.0 !a43
assign (resid 15 and name HA ) (resid 24 and name HB2 ) 0 0 3.5 !a44
assign (resid 15 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a193
assign (resid 15 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a194-1
assign (resid 15 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a226
assign (resid 15 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a238

! residue 16 (ser)
assign (resid 16 and name HA ) (resid 16 and name HB* ) 0 0 3.7 !a71
assign (resid 16 and name HN ) (resid 16 and name HA ) 0 0 3.5 !34
assign (resid 16 and name HN ) (resid 16 and name HB* ) 0 0 3.7 !35
assign (resid 16 and name HB* ) (resid 17 and name HN ) 0 0 3.7 !77
assign (resid 16 and name HN ) (resid 17 and name HN ) 0 0 6.0 !33
assign (resid 16 and name HN ) (resid 22 and name HB* ) 0 0 6.0 !39
assign (resid 16 and name HN ) (resid 23 and name HN ) 0 0 3.5 !2
assign (resid 16 and name HB* ) (resid 23 and name HD* ) 0 0 9.0 !315
assign (resid 16 and name HB* ) (resid 23 and name HE* ) 0 0 9.0 !331
assign (resid 16 and name HN ) (resid 23 and name HB* ) 0 0 6.0 !37
assign (resid 16 and name HN ) (resid 23 and name HB* ) 0 0 6.0 !38

! residue 17 (cys)
assign (resid 17 and name HN ) (resid 17 and name HA ) 0 0 3.5 !76
assign (resid 17 and name HN ) (resid 17 and name HB* ) 0 0 3.7 !78
assign (resid 17 and name HA ) (resid 17 and name HB* ) 0 0 3.7 !a88
assign (resid 17 and name HB* ) (resid 18 and name HN ) 0 0 6.0 !18
assign (resid 17 and name HA ) (resid 18 and name HN ) 0 0 5.0 !16-1
assign (resid 17 and name HN ) (resid 18 and name HN ) 0 0 6.0 !12
assign (resid 17 and name HA ) (resid 22 and name HA ) 0 0 2.7 !a65
assign (resid 17 and name HA ) (resid 22 and name HB* ) 0 0 6.0 !a89

! residue 18 (ser)
assign (resid 18 and name HN ) (resid 18 and name HA ) 0 0 3.5 !16
assign (resid 18 and name HN ) (resid 18 and name HB* ) 0 0 3.7 !17
assign (resid 18 and name HA ) (resid 18 and name HB* ) 0 0 3.7 !a76
assign (resid 18 and name HA ) (resid 19 and name HN ) 0 0 2.7 !25
assign (resid 18 and name HB* ) (resid 19 and name HN ) 0 0 4.5 !28
assign (resid 18 and name HA ) (resid 19 and name HB1 ) 0 0 6.0 !a79
assign (resid 18 and name HA ) (resid 20 and name HN ) 0 0 6.0 !133
assign (resid 18 and name HN ) (resid 20 and name HN ) 0 0 6.0 !13
assign (resid 18 and name HN ) (resid 21 and name HB ) 0 0 5.0 !20
assign (resid 18 and name HN ) (resid 21 and name HG2* ) 0 0 6.5 !21
assign (resid 18 and name HN ) (resid 21 and name HG1* ) 0 0 7.5 !22
assign (resid 18 and name HB* ) (resid 21 and name HN ) 0 0 7.0 !188
assign (resid 18 and name HN ) (resid 21 and name HN ) 0 0 3.5 !14
assign (resid 18 and name HN ) (resid 23 and name HD* ) 0 0 7.0 !15
assign (resid 18 and name HN ) (resid 23 and name HN ) 0 0 6.0 !1
assign (resid 18 and name HB* ) (resid 23 and name HE* ) 0 0 8.0 !332
assign (resid 18 and name HB* ) (resid 23 and name HD* ) 0 0 5.7 !316
assign (resid 18 and name HA ) (resid 23 and name HB* ) 0 0 6.0 !a77
assign (resid 18 and name HA ) (resid 23 and name HB* ) 0 0 6.0 !a78

! residue 19 (asn)
assign (resid 19 and name HN ) (resid 19 and name HA ) 0 0 2.7 !27
assign (resid 19 and name HN ) (resid 19 and name HB2 ) 0 0 5.0 !30
assign (resid 19 and name HN ) (resid 19 and name HB1 ) 0 0 3.5 !31
assign (resid 19 and name HA ) (resid 19 and name HB1 ) 0 0 2.7 !a136
assign (resid 19 and name HA ) (resid 19 and name HB2 ) 0 0 2.7 !a135
assign (resid 19 and name HB1 ) (resid 19 and name HD21 ) 0 0 2.7 !271
assign (resid 19 and name HB2 ) (resid 19 and name HD21 ) 0 0 3.5 !269
assign (resid 19 and name HB1 ) (resid 19 and name HD22 ) 0 0 5.0 !326
assign (resid 19 and name HB2 ) (resid 19 and name HD22 ) 0 0 6.0 !325
assign (resid 19 and name HB1 ) (resid 19 and name HB2 ) 0 0 2.7 !a253
assign (resid 19 and name HN ) (resid 20 and name HN ) 0 0 2.7 !23
assign (resid 19 and name HA ) (resid 20 and name HN ) 0 0 2.7 !134
assign (resid 19 and name HB2 ) (resid 20 and name HN ) 0 0 5.0 !137
assign (resid 19 and name HB1 ) (resid 20 and name HN ) 0 0 5.0 !138
assign (resid 19 and name HN ) (resid 20 and name HA ) 0 0 5.0 !29
assign (resid 19 and name HN ) (resid 20 and name HG* ) 0 0 7.0 !32
assign (resid 19 and name HN ) (resid 21 and name HN ) 0 0 6.0 !24
assign (resid 19 and name HA ) (resid 21 and name HN ) 0 0 6.0 !187
assign (resid 19 and name HB2 ) (resid 21 and name HN ) 0 0 5.0 !190
assign (resid 19 and name HB1 ) (resid 21 and name HN ) 0 0 6.0 !191
assign (resid 19 and name HB2 ) (resid 21 and name HG1* ) 0 0 7.5 !a254-1
assign (resid 19 and name HB1 ) (resid 21 and name HG2* ) 0 0 6.5 !a254-2

! residue 20 (arg)
assign (resid 20 and name HN ) (resid 20 and name HA ) 0 0 2.7 !135
assign (resid 20 and name HN ) (resid 20 and name HB* ) 0 0 6.0 !139
assign (resid 20 and name HN ) (resid 20 and name HB* ) 0 0 6.0 !140
assign (resid 20 and name HN ) (resid 20 and name HG* ) 0 0 4.5 !141
assign (resid 20 and name HN ) (resid 20 and name HD* ) 0 0 6.0 !136
assign (resid 20 and name HA ) (resid 20 and name HD* ) 0 0 4.5 !a206
assign (resid 20 and name HA ) (resid 20 and name HB* ) 0 0 4.5 !a207 a
assign (resid 20 and name HA ) (resid 20 and name HB* ) 0 0 4.5 !a208 a
assign (resid 20 and name HA ) (resid 20 and name HG* ) 0 0 3.7 !a210
assign (resid 20 and name HD* ) (resid 20 and name HB* ) 0 0 5.5 !a231
assign (resid 20 and name HD* ) (resid 20 and name HB* ) 0 0 5.5 !a232
assign (resid 20 and name HD* ) (resid 20 and name HG* ) 0 0 4.7 !a233
assign (resid 20 and name HD* ) (resid 20 and name HB* ) 0 0 5.5 !a239
assign (resid 20 and name HD* ) (resid 20 and name HB* ) 0 0 5.5 !a240
assign (resid 20 and name HD* ) (resid 20 and name HG* ) 0 0 4.7 !a242
assign (resid 20 and name HB* ) (resid 20 and name HB* ) 0 0 4.7 !a274
assign (resid 20 and name HB* ) (resid 20 and name HG* ) 0 0 4.7 !a275
assign (resid 20 and name HB* ) (resid 20 and name HG* ) 0 0 4.7 !a294
assign (resid 20 and name HN ) (resid 21 and name HN ) 0 0 3.5 !132
assign (resid 20 and name HB* ) (resid 21 and name HN ) 0 0 6.0 !192
assign (resid 20 and name HB* ) (resid 21 and name HN ) 0 0 6.0 !194
assign (resid 20 and name HG* ) (resid 21 and name HN ) 0 0 6.0 !195
assign (resid 20 and name HA ) (resid 21 and name HN ) 0 0 2.7 !189

! residue 21 (val)
assign (resid 21 and name HN ) (resid 21 and name HA ) 0 0 3.5 !186
assign (resid 21 and name HN ) (resid 21 and name HB ) 0 0 2.7 !193
assign (resid 21 and name HN ) (resid 21 and name HG2* ) 0 0 4.2 !196
assign (resid 21 and name HN ) (resid 21 and name HG1* ) 0 0 6.5 !197
assign (resid 21 and name HA ) (resid 21 and name HB ) 0 0 3.5 !a116 a
assign (resid 21 and name HA ) (resid 21 and name HG2* ) 0 0 4.2 !a121
assign (resid 21 and name HA ) (resid 21 and name HG1* ) 0 0 4.2 !a122
assign (resid 21 and name HG2* ) (resid 22 and name HN ) 0 0 6.5 !184 
assign (resid 21 and name HG1* ) (resid 22 and name HN ) 0 0 4.2 !185
assign (resid 21 and name HB ) (resid 22 and name HN ) 0 0 5.0 !181
assign (resid 21 and name HA ) (resid 22 and name HN ) 0 0 3.5 !176
assign (resid 21 and name HG2* ) (resid 22 and name HB* ) 0 0 8.5 !a251
assign (resid 21 and name HG2* ) (resid 23 and name HE* ) 0 0 8.5 !336 
assign (resid 21 and name HG1* ) (resid 23 and name HE* ) 0 0 7.0 !337
assign (resid 21 and name HB ) (resid 23 and name HE* ) 0 0 5.5 !333
assign (resid 21 and name HG1* ) (resid 23 and name HD* ) 0 0 7.0 !323
assign (resid 21 and name HG2* ) (resid 23 and name HD* ) 0 0 8.5 !322
assign (resid 21 and name HB ) (resid 23 and name HD* ) 0 0 7.0 !320
assign (resid 21 and name HG1* ) (resid 23 and name HA ) 0 0 6.5 !a24
assign (resid 21 and name HG1* ) (resid 28 and name HN ) 0 0 6.5 !57 
assign (resid 21 and name HG2* ) (resid 28 and name HN ) 0 0 7.5 !56 
assign (resid 21 and name HG1* ) (resid 30 and name HN ) 0 0 7.5 !236
assign (resid 21 and name HG2* ) (resid 30 and name HN ) 0 0 7.5 !235-1

! residue 22 (cys)
assign (resid 22 and name HN ) (resid 22 and name HA ) 0 0 3.5 !
assign (resid 22 and name HN ) (resid 22 and name HB* ) 0 0 4.5 !179
assign (resid 22 and name HN ) (resid 22 and name HB* ) 0 0 4.5 !180
assign (resid 22 and name HA ) (resid 22 and name HB* ) 0 0 3.7 !a74
assign (resid 22 and name HA ) (resid 22 and name HB* ) 0 0 3.7 !a67
assign (resid 22 and name HB1 ) (resid 22 and name HB2 ) 0 0 2.7 !a246
assign (resid 22 and name HB* ) (resid 23 and name HN ) 0 0 4.5 !11
assign (resid 22 and name HA ) (resid 23 and name HN ) 0 0 2.7 !
assign (resid 22 and name HB* ) (resid 23 and name HA ) 0 0 6.0 !a19
assign (resid 22 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a225
assign (resid 22 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a225-1
assign (resid 22 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a237
assign (resid 22 and name HB* ) (resid 28 and name HB* ) 0 0 5.5 !a237-1
assign (resid 22 and name HB* ) (resid 30 and name HN ) 0 0 7.0 !228
assign (resid 22 and name HB* ) (resid 30 and name HN ) 0 0 7.0 !230
assign (resid 22 and name HB* ) (resid 30 and name HB* ) 0 0 5.5 !a248
assign (resid 22 and name HB* ) (resid 30 and name HB* ) 0 0 5.5 !a249
assign (resid 22 and name HB* ) (resid 30 and name HB* ) 0 0 5.5 !a266
assign (resid 22 and name HB* ) (resid 30 and name HB* ) 0 0 5.5 !a267

! residue 23 (tyr)
assign (resid 23 and name HN ) (resid 23 and name HA ) 0 0 5.0 !4
assign (resid 23 and name HN ) (resid 23 and name HB* ) 0 0 3.7 !8
assign (resid 23 and name HN ) (resid 23 and name HB* ) 0 0 3.7 !9
assign (resid 23 and name HN ) (resid 23 and name HD* ) 0 0 7.0 !3
assign (resid 23 and name HA ) (resid 23 and name HD* ) 0 0 7.0 !302
assign (resid 23 and name HB* ) (resid 23 and name HD* ) 0 0 5.7 !317
assign (resid 23 and name HB* ) (resid 23 and name HD* ) 0 0 5.7 !318
assign (resid 23 and name HB* ) (resid 24 and name HN ) 0 0 4.5 !95
assign (resid 23 and name HD* ) (resid 24 and name HN ) 0 0 7.0 !92
assign (resid 23 and name HA ) (resid 24 and name HN ) 0 0 3.5 !93
assign (resid 23 and name HA ) (resid 25 and name HA ) 0 0 5.0 !a14
assign (resid 23 and name HD* ) (resid 26 and name HB ) 0 0 7.0 !321
assign (resid 23 and name HE* ) (resid 26 and name HB ) 0 0 7.0 !334
assign (resid 23 and name HD* ) (resid 27 and name HA ) 0 0 5.5 !314
assign (resid 23 and name HD* ) (resid 27 and name HB* ) 0 0 8.0 !319
assign (resid 23 and name HA ) (resid 27 and name HA ) 0 0 2.7 !a13 
assign (resid 23 and name HA ) (resid 27 and name HB* ) 0 0 4.5 !a21
assign (resid 23 and name HA ) (resid 27 and name HG1 ) 0 0 6.0 !a23
assign (resid 23 and name HA ) (resid 27 and name HG2 ) 0 0 6.0 !a22
assign (resid 23 and name HA ) (resid 28 and name HN ) 0 0 5.0 !45
assign (resid 23 and name HA ) (resid 28 and name HB* ) 0 0 7.0 !a15
assign (resid 23 and name HA ) (resid 28 and name HB* ) 0 0 7.0 !a16

! residue 24 (asn)
assign (resid 24 and name HN ) (resid 24 and name HA ) 0 0 3.5 !
assign (resid 24 and name HN ) (resid 24 and name HB1 ) 0 0 3.5 !96
assign (resid 24 and name HN ) (resid 24 and name HB2 ) 0 0 3.5 !97
assign (resid 24 and name HA ) (resid 24 and name HB1 ) 0 0 3.5 !a39
assign (resid 24 and name HA ) (resid 24 and name HB2 ) 0 0 3.5 !a40
assign (resid 24 and name HB2 ) (resid 24 and name HD21 ) 0 0 2.7 !307
assign (resid 24 and name HB1 ) (resid 24 and name HD21 ) 0 0 2.7 !305
assign (resid 24 and name HB1 ) (resid 24 and name HD22 ) 0 0 3.5 !341
assign (resid 24 and name HB2 ) (resid 24 and name HD22 ) 0 0 3.5 !342
assign (resid 24 and name HB1 ) (resid 24 and name HB2 ) 0 0 2.7 !a252
assign (resid 24 and name HN ) (resid 25 and name HN ) 0 0 5.0 !90
assign (resid 24 and name HA ) (resid 25 and name HN ) 0 0 2.7 !
assign (resid 24 and name HN ) (resid 26 and name HN ) 0 0 3.5 !91
assign (resid 24 and name HN ) (resid 26 and name HG2* ) 0 0 6.5 !99
assign (resid 24 and name HN ) (resid 28 and name HN ) 0 0 6.0 !41

! residue 25 (gly)
assign (resid 25 and name HN ) (resid 25 and name HA1 ) 0 0 2.7 !
assign (resid 25 and name HN ) (resid 25 and name HA2 ) 0 0 2.7 !
assign (resid 25 and name HA1 ) (resid 25 and name HA2 ) 0 0 2.7 !a90
assign (resid 25 and name HA* ) (resid 26 and name HN ) 0 0 4.5 !245
assign (resid 25 and name HA* ) (resid 26 and name HN ) 0 0 4.5 !248
assign (resid 25 and name HN ) (resid 26 and name HN ) 0 0 5.0 !237

! residue 26 (ile)
assign (resid 26 and name HN ) (resid 26 and name HA ) 0 0 3.5 !244
assign (resid 26 and name HN ) (resid 26 and name HB ) 0 0 3.5 !249
assign (resid 26 and name HN ) (resid 26 and name HG2* ) 0 0 4.2 !251
assign (resid 26 and name HA ) (resid 26 and name HB ) 0 0 2.7 !a81
assign (resid 26 and name HA ) (resid 26 and name HG2* ) 0 0 4.2 !a84
assign (resid 26 and name HA ) (resid 27 and name HG* ) 0 0 6.5 !a82
assign (resid 26 and name HA ) (resid 27 and name HB2 ) 0 0 6.0 !a80
assign (resid 26 and name HA ) (resid 27 and name HB1 ) 0 0 5.0 !a80-1
assign (resid 26 and name HA ) (resid 27 and name HD1 ) 0 0 3.5 !a85-2
assign (resid 26 and name HA ) (resid 27 and name HD2 ) 0 0 3.5 !a85-3
assign (resid 26 and name HG2* ) (resid 27 and name HD1 ) 0 0 5.0 !a176
assign (resid 26 and name HG2* ) (resid 27 and name HD2 ) 0 0 5.0 !a189

! residue 27 (pro)
assign (resid 27 and name HA ) (resid 27 and name HD2 ) 0 0 5.0 !a141-1
assign (resid 27 and name HA ) (resid 27 and name HD1 ) 0 0 3.5 !a141-3
assign (resid 27 and name HA ) (resid 27 and name HB1 ) 0 0 2.7 !a144
assign (resid 27 and name HA ) (resid 27 and name HB2 ) 0 0 2.7 !a145
assign (resid 27 and name HA ) (resid 27 and name HG2 ) 0 0 5.0 !a146
assign (resid 27 and name HA ) (resid 27 and name HG1 ) 0 0 5.0 !a147
assign (resid 27 and name HD1 ) (resid 27 and name HD2 ) 0 0 2.7 !a171
assign (resid 27 and name HD1 ) (resid 27 and name HB2 ) 0 0 5.0 !a172
assign (resid 27 and name HD1 ) (resid 27 and name HB1 ) 0 0 3.5 !a172-1
assign (resid 27 and name HD1 ) (resid 27 and name HG1 ) 0 0 2.7 !a173
assign (resid 27 and name HD1 ) (resid 27 and name HG2 ) 0 0 3.5 !a174
assign (resid 27 and name HD2 ) (resid 27 and name HB1 ) 0 0 5.0 !a185
assign (resid 27 and name HD2 ) (resid 27 and name HB2 ) 0 0 5.0 !a185-1
assign (resid 27 and name HD2 ) (resid 27 and name HG1 ) 0 0 2.7 !a186
assign (resid 27 and name HD2 ) (resid 27 and name HG2 ) 0 0 3.5 !a187
assign (resid 27 and name HB1 ) (resid 27 and name HB2 ) 0 0 2.7 !a277-1
assign (resid 27 and name HB1 ) (resid 27 and name HG1 ) 0 0 3.5 !a278
assign (resid 27 and name HB1 ) (resid 27 and name HG2 ) 0 0 2.7 !a279
assign (resid 27 and name HB2 ) (resid 27 and name HG1 ) 0 0 2.7 !a281
assign (resid 27 and name HB2 ) (resid 27 and name HG2 ) 0 0 3.5 !a282
assign (resid 27 and name HA ) (resid 28 and name HN ) 0 0 3.5 !47
assign (resid 27 and name HB1 ) (resid 28 and name HN ) 0 0 3.5 !52
assign (resid 27 and name HG* ) (resid 28 and name HN ) 0 0 4.5 !54
assign (resid 27 and name HA ) (resid 28 and name HA ) 0 0 5.0 !a47
assign (resid 27 and name HB1 ) (resid 29 and name HN ) 0 0 5.0 !105
assign (resid 27 and name HG2 ) (resid 29 and name HN ) 0 0 5.0 !106

! residue 28 (cys)
assign (resid 28 and name HN ) (resid 28 and name HA ) 0 0 5.0 !46
assign (resid 28 and name HN ) (resid 28 and name HB* ) 0 0 3.7 !48
assign (resid 28 and name HN ) (resid 28 and name HB* ) 0 0 3.7 !49
assign (resid 28 and name HA ) (resid 28 and name HB* ) 0 0 3.7 !a53
assign (resid 28 and name HA ) (resid 28 and name HB* ) 0 0 3.7 !a52
assign (resid 28 and name HB1 ) (resid 28 and name HB2 ) 0 0 2.7 !a224-1
assign (resid 28 and name HB* ) (resid 29 and name HN ) 0 0 4.5 !103
assign (resid 28 and name HB* ) (resid 29 and name HN ) 0 0 4.5 !104
assign (resid 28 and name HA ) (resid 29 and name HN ) 0 0 5.0 !101
assign (resid 28 and name HA ) (resid 29 and name HB* ) 0 0 6.5 !a61
assign (resid 28 and name HN ) (resid 29 and name HN ) 0 0 5.0 !42
assign (resid 28 and name HB* ) (resid 29 and name HB* ) 0 0 8.5 !a227-1
assign (resid 28 and name HN ) (resid 30 and name HN ) 0 0 6.0 !43
assign (resid 28 and name HB* ) (resid 30 and name HB* ) 0 0 7.0 !a227
assign (resid 28 and name HB* ) (resid 30 and name HB* ) 0 0 7.0 !a227-1
assign (resid 28 and name HB* ) (resid 30 and name HB* ) 0 0 7.0 !a241
assign (resid 28 and name HB* ) (resid 30 and name HB* ) 0 0 7.0 !a241-1

! residue 29 (ala)
assign (resid 29 and name HN ) (resid 29 and name HA ) 0 0 2.7 !102
assign (resid 29 and name HN ) (resid 29 and name HB* ) 0 0 4.2 !108
assign (resid 29 and name HA ) (resid 29 and name HB* ) 0 0 4.2 !a140
assign (resid 29 and name HB* ) (resid 30 and name HN ) 0 0 4.2 !234
assign (resid 29 and name HA ) (resid 30 and name HN ) 0 0 2.7 !225
assign (resid 29 and name HN ) (resid 30 and name HN ) 0 0 5.0 !100
assign (resid 29 and name HB* ) (resid 30 and name HA ) 0 0 6.5 !a119

! residue 30 (glu)
assign (resid 30 and name HN ) (resid 30 and name HA ) 0 0 2.7 !224
assign (resid 30 and name HN ) (resid 30 and name HB* ) 0 0 3.7 !232
assign (resid 30 and name HN ) (resid 30 and name HB* ) 0 0 3.7 !233
assign (resid 30 and name HN ) (resid 30 and name HG* ) 0 0 6.0 !229
assign (resid 30 and name HN ) (resid 30 and name HG* ) 0 0 6.0 !231
assign (resid 30 and name HA ) (resid 30 and name HB* ) 0 0 3.7 !a118
assign (resid 30 and name HA ) (resid 30 and name HB* ) 0 0 3.7 !a117
assign (resid 30 and name HA ) (resid 30 and name HG* ) 0 0 3.7 !a115
assign (resid 30 and name HA ) (resid 30 and name HG* ) 0 0 3.7 !a114
assign (resid 30 and name HG* ) (resid 30 and name HG* ) 0 0 4.7 !a258
assign (resid 30 and name HG* ) (resid 30 and name HB* ) 0 0 4.7 !a259
assign (resid 30 and name HG* ) (resid 30 and name HB* ) 0 0 4.7 !a260
assign (resid 30 and name HG* ) (resid 30 and name HB* ) 0 0 4.7 !a270
assign (resid 30 and name HG* ) (resid 30 and name HB* ) 0 0 4.7 !a271












  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER   1           H        SER   1  -2.697  -1.969  -6.729
    2    HA   SER   1           HA       SER   1  -3.325   0.210  -4.774
    3   1HB   SER   1          2HB       SER   1  -5.025  -1.009  -6.983
    4   2HB   SER   1          1HB       SER   1  -5.692   0.035  -5.712
    5    HG   SER   1           HG       SER   1  -3.428   0.673  -7.288
    6    H    CYS   2           H        CYS   2  -4.577  -0.156  -3.102
    7    HA   CYS   2           HA       CYS   2  -4.941  -2.958  -2.217
    8   1HB   CYS   2          2HB       CYS   2  -5.170  -0.594  -0.373
    9   2HB   CYS   2          1HB       CYS   2  -4.541  -2.166  -0.034
   10    H    VAL   3           H        VAL   3  -6.698  -1.769  -3.974
   11    HA   VAL   3           HA       VAL   3  -8.994  -0.528  -3.540
   12    HB   VAL   3           HB       VAL   3  -9.054  -3.392  -4.554
   13   1HG1  VAL   3          1HG1      VAL   3 -10.783  -0.945  -5.181
   14   2HG1  VAL   3          2HG1      VAL   3 -11.308  -2.341  -4.262
   15   3HG1  VAL   3          3HG1      VAL   3 -10.926  -2.514  -5.963
   16   1HG2  VAL   3          1HG2      VAL   3  -8.698  -2.103  -6.768
   17   2HG2  VAL   3          2HG2      VAL   3  -7.304  -2.317  -5.711
   18   3HG2  VAL   3          3HG2      VAL   3  -8.150  -0.773  -5.747
   19    H    TYR   4           H        TYR   4  -8.746  -3.849  -2.425
   20    HA   TYR   4           HA       TYR   4 -10.754  -3.261  -0.291
   21   1HB   TYR   4          2HB       TYR   4 -10.584  -5.490  -2.334
   22   2HB   TYR   4          1HB       TYR   4 -11.110  -5.895  -0.714
   23    HD1  TYR   4           HD1      TYR   4 -12.051  -4.351  -3.843
   24    HD2  TYR   4           HD2      TYR   4 -13.114  -4.620   0.273
   25    HE1  TYR   4           HE1      TYR   4 -14.270  -3.454  -4.356
   26    HE2  TYR   4           HE2      TYR   4 -15.333  -3.726  -0.245
   27    HH   TYR   4           HH       TYR   4 -16.315  -2.216  -2.119
   28    H    ILE   5           H        ILE   5  -8.375  -5.493  -1.527
   29    HA   ILE   5           HA       ILE   5  -7.452  -6.431   0.968
   30    HB   ILE   5           HB       ILE   5  -5.510  -7.270  -0.530
   31   1HG1  ILE   5          2HG1      ILE   5  -7.250  -6.569  -2.894
   32   2HG1  ILE   5          1HG1      ILE   5  -6.149  -5.355  -2.282
   33   1HG2  ILE   5          1HG2      ILE   5  -8.375  -8.009  -1.263
   34   2HG2  ILE   5          2HG2      ILE   5  -7.457  -8.681   0.076
   35   3HG2  ILE   5          3HG2      ILE   5  -6.963  -9.009  -1.576
   36   1HD1  ILE   5          1HD1      ILE   5  -4.244  -6.926  -2.521
   37   2HD1  ILE   5          2HD1      ILE   5  -5.063  -6.676  -4.052
   38   3HD1  ILE   5          3HD1      ILE   5  -5.335  -8.154  -3.146
   39    HA   PRO   6           HA       PRO   6  -4.127  -3.326   1.709
   40   1HB   PRO   6          2HB       PRO   6  -2.131  -5.280   2.343
   41   2HB   PRO   6          1HB       PRO   6  -3.061  -4.280   3.444
   42   1HG   PRO   6          2HG       PRO   6  -3.401  -7.106   2.788
   43   2HG   PRO   6          1HG       PRO   6  -4.061  -6.194   4.142
   44   1HD   PRO   6          2HD       PRO   6  -5.552  -7.098   1.886
   45   2HD   PRO   6          1HD       PRO   6  -6.107  -5.854   3.017
   46    H    CYS   7           H        CYS   7  -1.606  -3.398   1.098
   47    HA   CYS   7           HA       CYS   7  -1.559  -3.461  -1.823
   48   1HB   CYS   7          2HB       CYS   7  -0.406  -1.689  -0.525
   49   2HB   CYS   7          1HB       CYS   7   0.671  -2.885   0.146
   50    H    THR   8           H        THR   8   0.309  -5.039   0.696
   51    HA   THR   8           HA       THR   8   1.721  -6.865   0.727
   52    HB   THR   8           HB       THR   8   0.589  -8.988  -0.070
   53    HG1  THR   8           HG1      THR   8  -0.126  -8.181  -2.040
   54   1HG2  THR   8          1HG2      THR   8  -1.493  -6.948   0.797
   55   2HG2  THR   8          2HG2      THR   8  -0.334  -7.648   1.925
   56   3HG2  THR   8          3HG2      THR   8  -1.510  -8.687   1.112
   57    H    VAL   9           H        VAL   9   2.313  -5.089  -1.289
   58    HA   VAL   9           HA       VAL   9   3.863  -6.916  -3.011
   59    HB   VAL   9           HB       VAL   9   2.038  -4.671  -3.976
   60   1HG1  VAL   9          1HG1      VAL   9   4.299  -6.025  -5.500
   61   2HG1  VAL   9          2HG1      VAL   9   3.999  -4.304  -5.324
   62   3HG1  VAL   9          3HG1      VAL   9   2.944  -5.275  -6.325
   63   1HG2  VAL   9          1HG2      VAL   9   2.260  -7.642  -4.680
   64   2HG2  VAL   9          2HG2      VAL   9   1.140  -6.531  -5.451
   65   3HG2  VAL   9          3HG2      VAL   9   0.970  -6.907  -3.754
   66    H    THR  10           H        THR  10   3.351  -3.634  -1.902
   67    HA   THR  10           HA       THR  10   6.298  -3.047  -2.098
   68    HB   THR  10           HB       THR  10   5.685  -0.688  -2.518
   69    HG1  THR  10           HG1      THR  10   3.420  -0.413  -2.984
   70   1HG2  THR  10          1HG2      THR  10   5.592  -1.176  -4.781
   71   2HG2  THR  10          2HG2      THR  10   3.958  -1.796  -4.624
   72   3HG2  THR  10          3HG2      THR  10   5.336  -2.859  -4.403
   73    H    ALA  11           H        ALA  11   3.485  -3.160  -0.157
   74    HA   ALA  11           HA       ALA  11   3.934  -1.331   1.862
   75   1HB   ALA  11          1HB       ALA  11   1.921  -2.488   2.072
   76   2HB   ALA  11          2HB       ALA  11   2.849  -3.283   3.329
   77   3HB   ALA  11          3HB       ALA  11   2.658  -4.051   1.761
   78    H    LEU  12           H        LEU  12   5.688  -4.163   1.155
   79    HA   LEU  12           HA       LEU  12   6.883  -4.935   3.515
   80   1HB   LEU  12          2HB       LEU  12   8.060  -4.853   0.712
   81   2HB   LEU  12          1HB       LEU  12   8.792  -5.711   2.045
   82    HG   LEU  12           HG       LEU  12   6.227  -6.743   2.172
   83   1HD1  LEU  12          1HD1      LEU  12   6.825  -6.256  -0.786
   84   2HD1  LEU  12          2HD1      LEU  12   5.480  -5.560   0.100
   85   3HD1  LEU  12          3HD1      LEU  12   5.545  -7.287  -0.171
   86   1HD2  LEU  12          1HD2      LEU  12   8.500  -7.762   0.410
   87   2HD2  LEU  12          2HD2      LEU  12   7.174  -8.734   1.025
   88   3HD2  LEU  12          3HD2      LEU  12   8.347  -8.049   2.136
   89    H    LEU  13           H        LEU  13   7.923  -2.357   1.347
   90    HA   LEU  13           HA       LEU  13  10.147  -1.683   3.042
   91   1HB   LEU  13          2HB       LEU  13  10.841  -0.194   1.286
   92   2HB   LEU  13          1HB       LEU  13  10.345  -1.705   0.573
   93    HG   LEU  13           HG       LEU  13   8.008  -0.030   0.736
   94   1HD1  LEU  13          1HD1      LEU  13   9.907   1.793   0.796
   95   2HD1  LEU  13          2HD1      LEU  13   8.624   1.993  -0.382
   96   3HD1  LEU  13          3HD1      LEU  13  10.183   1.360  -0.878
   97   1HD2  LEU  13          1HD2      LEU  13   8.583  -1.874  -0.951
   98   2HD2  LEU  13          2HD2      LEU  13   9.633  -0.719  -1.752
   99   3HD2  LEU  13          3HD2      LEU  13   7.908  -0.422  -1.664
  100    H    GLY  14           H        GLY  14   6.947  -0.874   3.013
  101   1HA   GLY  14          2HA       GLY  14   6.205   0.572   4.909
  102   2HA   GLY  14          1HA       GLY  14   7.420   1.736   4.416
  103    H    CYS  15           H        CYS  15   5.615   0.133   1.935
  104    HA   CYS  15           HA       CYS  15   4.443   2.669   1.073
  105   1HB   CYS  15          2HB       CYS  15   4.371  -0.148  -0.022
  106   2HB   CYS  15          1HB       CYS  15   3.721   1.227  -0.852
  107    H    SER  16           H        SER  16   3.279   2.909   2.991
  108    HA   SER  16           HA       SER  16   1.113   1.402   3.952
  109   1HB   SER  16          2HB       SER  16   1.487   4.433   3.993
  110   2HB   SER  16          1HB       SER  16   0.411   3.514   5.058
  111    HG   SER  16           HG       SER  16   2.212   2.344   5.772
  112    H    CYS  17           H        CYS  17  -0.757   0.955   3.162
  113    HA   CYS  17           HA       CYS  17  -1.721   1.806   0.627
  114   1HB   CYS  17          2HB       CYS  17  -2.941   0.330   2.946
  115   2HB   CYS  17          1HB       CYS  17  -3.883   0.687   1.523
  116    H    SER  18           H        SER  18  -1.717   4.033   0.665
  117    HA   SER  18           HA       SER  18  -3.723   5.489   2.303
  118   1HB   SER  18          2HB       SER  18  -1.735   6.572   0.229
  119   2HB   SER  18          1HB       SER  18  -2.626   7.523   1.426
  120    HG   SER  18           HG       SER  18  -0.795   5.426   1.955
  121    H    ASN  19           H        ASN  19  -5.685   5.819   1.454
  122    HA   ASN  19           HA       ASN  19  -7.498   5.691   0.007
  123   1HB   ASN  19          2HB       ASN  19  -7.241   7.119  -2.043
  124   2HB   ASN  19          1HB       ASN  19  -6.652   7.928  -0.605
  125   1HD2  ASN  19          1HD2      ASN  19  -4.376   8.381  -0.469
  126   2HD2  ASN  19          2HD2      ASN  19  -3.340   8.196  -1.801
  127    H    ARG  20           H        ARG  20  -6.115   3.458   0.111
  128    HA   ARG  20           HA       ARG  20  -5.769   1.383  -0.846
  129   1HB   ARG  20          2HB       ARG  20  -7.916   2.606  -2.621
  130   2HB   ARG  20          1HB       ARG  20  -7.278   1.035  -3.030
  131   1HG   ARG  20          2HG       ARG  20  -8.488   0.006  -1.436
  132   2HG   ARG  20          1HG       ARG  20  -7.906   1.024  -0.167
  133   1HD   ARG  20          2HD       ARG  20 -10.058   1.764  -2.211
  134   2HD   ARG  20          1HD       ARG  20 -10.425   1.094  -0.629
  135    HE   ARG  20           HE       ARG  20  -9.633   3.839  -1.194
  136   1HH1  ARG  20          2HH1      ARG  20  -9.528   1.314   1.181
  137   2HH1  ARG  20          1HH1      ARG  20  -9.370   2.418   2.505
  138   1HH2  ARG  20          1HH2      ARG  20  -9.434   5.246   0.468
  139   2HH2  ARG  20          2HH2      ARG  20  -9.315   4.672   2.099
  140    H    VAL  21           H        VAL  21  -3.963   3.344  -1.446
  141    HA   VAL  21           HA       VAL  21  -2.732   2.290  -3.951
  142    HB   VAL  21           HB       VAL  21  -2.945   5.238  -3.109
  143   1HG1  VAL  21          1HG1      VAL  21  -1.512   5.739  -5.087
  144   2HG1  VAL  21          2HG1      VAL  21  -1.285   4.019  -5.368
  145   3HG1  VAL  21          3HG1      VAL  21  -0.631   4.771  -3.922
  146   1HG2  VAL  21          1HG2      VAL  21  -4.006   5.509  -5.332
  147   2HG2  VAL  21          2HG2      VAL  21  -4.883   4.304  -4.411
  148   3HG2  VAL  21          3HG2      VAL  21  -3.773   3.801  -5.673
  149    H    CYS  22           H        CYS  22  -0.802   1.424  -3.369
  150    HA   CYS  22           HA       CYS  22   0.275   1.541  -0.739
  151   1HB   CYS  22          2HB       CYS  22   2.048   1.093  -3.134
  152   2HB   CYS  22          1HB       CYS  22   2.029   0.301  -1.580
  153    H    TYR  23           H        TYR  23   1.226   3.164   0.246
  154    HA   TYR  23           HA       TYR  23   2.785   5.196  -1.265
  155   1HB   TYR  23          2HB       TYR  23   0.233   5.585  -0.012
  156   2HB   TYR  23          1HB       TYR  23   1.397   6.532   0.880
  157    HD1  TYR  23           HD1      TYR  23  -0.472   6.245  -2.180
  158    HD2  TYR  23           HD2      TYR  23   2.866   8.185  -0.381
  159    HE1  TYR  23           HE1      TYR  23  -0.518   7.944  -3.933
  160    HE2  TYR  23           HE2      TYR  23   2.818   9.887  -2.131
  161    HH   TYR  23           HH       TYR  23   0.214  10.276  -4.262
  162    H    ASN  24           H        ASN  24   4.701   5.573  -0.526
  163    HA   ASN  24           HA       ASN  24   5.285   5.370   2.408
  164   1HB   ASN  24          2HB       ASN  24   6.254   3.416   0.880
  165   2HB   ASN  24          1HB       ASN  24   7.348   4.611   0.250
  166   1HD2  ASN  24          1HD2      ASN  24   8.263   2.434   1.572
  167   2HD2  ASN  24          2HD2      ASN  24   9.001   2.954   3.006
  168    H    GLY  25           H        GLY  25   4.478   7.637   1.664
  169   1HA   GLY  25          2HA       GLY  25   5.143   9.868   1.879
  170   2HA   GLY  25          1HA       GLY  25   6.787   9.356   1.495
  171    H    ILE  26           H        ILE  26   6.241   7.844  -0.716
  172    HA   ILE  26           HA       ILE  26   4.956   9.501  -2.792
  173    HB   ILE  26           HB       ILE  26   7.628   9.747  -2.423
  174   1HG1  ILE  26          2HG1      ILE  26   6.952   9.297  -5.320
  175   2HG1  ILE  26          1HG1      ILE  26   6.005  10.491  -4.453
  176   1HG2  ILE  26          1HG2      ILE  26   8.052   7.271  -2.537
  177   2HG2  ILE  26          2HG2      ILE  26   8.979   8.178  -3.719
  178   3HG2  ILE  26          3HG2      ILE  26   7.550   7.291  -4.223
  179   1HD1  ILE  26          1HD1      ILE  26   8.022  11.467  -5.557
  180   2HD1  ILE  26          2HD1      ILE  26   9.045  10.474  -4.532
  181   3HD1  ILE  26          3HD1      ILE  26   8.020  11.713  -3.817
  182    HA   PRO  27           HA       PRO  27   3.136   5.661  -3.355
  183   1HB   PRO  27          2HB       PRO  27   2.710   5.455  -6.069
  184   2HB   PRO  27          1HB       PRO  27   1.718   6.383  -4.976
  185   1HG   PRO  27          2HG       PRO  27   3.671   7.276  -6.832
  186   2HG   PRO  27          1HG       PRO  27   2.287   8.140  -6.193
  187   1HD   PRO  27          2HD       PRO  27   4.890   8.662  -5.427
  188   2HD   PRO  27          1HD       PRO  27   3.484   9.046  -4.420
  189    H    CYS  28           H        CYS  28   3.187   3.582  -4.567
  190    HA   CYS  28           HA       CYS  28   5.854   2.764  -5.609
  191   1HB   CYS  28          2HB       CYS  28   4.485   1.051  -3.533
  192   2HB   CYS  28          1HB       CYS  28   6.158   1.044  -3.999
  193    H    ALA  29           H        ALA  29   3.055   3.185  -6.524
  194    HA   ALA  29           HA       ALA  29   1.577   2.248  -8.048
  195   1HB   ALA  29          1HB       ALA  29   3.935   1.433  -8.977
  196   2HB   ALA  29          2HB       ALA  29   2.473   0.693  -9.605
  197   3HB   ALA  29          3HB       ALA  29   3.426  -0.146  -8.393
  198    H    GLU  30           H        GLU  30   0.594  -0.127  -8.521
  199    HA   GLU  30           HA       GLU  30  -0.748  -1.846  -7.764
  200   1HB   GLU  30          2HB       GLU  30   1.380  -2.729  -6.728
  201   2HB   GLU  30          1HB       GLU  30   1.048  -1.836  -5.265
  202   1HG   GLU  30          2HG       GLU  30   0.310  -4.150  -4.968
  203   2HG   GLU  30          1HG       GLU  30  -1.093  -3.111  -4.962
  Start of MODEL    2
    1    H    SER   1           H        SER   1  -2.846  -1.778  -6.915
    2    HA   SER   1           HA       SER   1  -3.325   0.353  -4.871
    3   1HB   SER   1          2HB       SER   1  -5.029  -0.569  -7.203
    4   2HB   SER   1          1HB       SER   1  -5.795   0.159  -5.781
    5    HG   SER   1           HG       SER   1  -4.387   1.902  -5.970
    6    H    CYS   2           H        CYS   2  -4.596  -0.037  -3.217
    7    HA   CYS   2           HA       CYS   2  -4.997  -2.858  -2.417
    8   1HB   CYS   2          2HB       CYS   2  -5.191  -0.610  -0.458
    9   2HB   CYS   2          1HB       CYS   2  -4.459  -2.168  -0.275
   10    H    VAL   3           H        VAL   3  -6.786  -1.690  -4.118
   11    HA   VAL   3           HA       VAL   3  -9.056  -0.404  -3.639
   12    HB   VAL   3           HB       VAL   3  -9.156  -3.264  -4.671
   13   1HG1  VAL   3          1HG1      VAL   3 -11.397  -2.198  -4.339
   14   2HG1  VAL   3          2HG1      VAL   3 -11.042  -2.376  -6.045
   15   3HG1  VAL   3          3HG1      VAL   3 -10.877  -0.805  -5.271
   16   1HG2  VAL   3          1HG2      VAL   3  -7.401  -2.177  -5.830
   17   2HG2  VAL   3          2HG2      VAL   3  -8.268  -0.646  -5.887
   18   3HG2  VAL   3          3HG2      VAL   3  -8.799  -2.002  -6.886
   19    H    TYR   4           H        TYR   4  -8.800  -3.727  -2.536
   20    HA   TYR   4           HA       TYR   4 -10.808  -3.153  -0.391
   21   1HB   TYR   4          2HB       TYR   4 -10.594  -5.398  -2.416
   22   2HB   TYR   4          1HB       TYR   4 -11.108  -5.798  -0.790
   23    HD1  TYR   4           HD1      TYR   4 -12.130  -4.407  -3.947
   24    HD2  TYR   4           HD2      TYR   4 -13.097  -4.467   0.201
   25    HE1  TYR   4           HE1      TYR   4 -14.377  -3.580  -4.456
   26    HE2  TYR   4           HE2      TYR   4 -15.342  -3.640  -0.313
   27    HH   TYR   4           HH       TYR   4 -16.891  -3.816  -2.593
   28    H    ILE   5           H        ILE   5  -8.456  -5.419  -1.602
   29    HA   ILE   5           HA       ILE   5  -7.487  -6.300   0.887
   30    HB   ILE   5           HB       ILE   5  -5.552  -7.137  -0.628
   31   1HG1  ILE   5          2HG1      ILE   5  -7.351  -6.483  -2.962
   32   2HG1  ILE   5          1HG1      ILE   5  -6.231  -5.264  -2.398
   33   1HG2  ILE   5          1HG2      ILE   5  -8.434  -7.898  -1.259
   34   2HG2  ILE   5          2HG2      ILE   5  -7.453  -8.571   0.034
   35   3HG2  ILE   5          3HG2      ILE   5  -7.035  -8.893  -1.641
   36   1HD1  ILE   5          1HD1      ILE   5  -4.343  -6.874  -2.639
   37   2HD1  ILE   5          2HD1      ILE   5  -5.171  -6.591  -4.162
   38   3HD1  ILE   5          3HD1      ILE   5  -5.464  -8.074  -3.267
   39    HA   PRO   6           HA       PRO   6  -4.176  -3.156   1.499
   40   1HB   PRO   6          2HB       PRO   6  -2.213  -4.993   2.385
   41   2HB   PRO   6          1HB       PRO   6  -3.265  -3.996   3.374
   42   1HG   PRO   6          2HG       PRO   6  -3.458  -6.864   2.753
   43   2HG   PRO   6          1HG       PRO   6  -4.156  -5.967   4.099
   44   1HD   PRO   6          2HD       PRO   6  -5.611  -6.926   1.855
   45   2HD   PRO   6          1HD       PRO   6  -6.194  -5.648   2.932
   46    H    CYS   7           H        CYS   7  -1.666  -3.261   0.939
   47    HA   CYS   7           HA       CYS   7  -1.553  -3.718  -1.951
   48   1HB   CYS   7          2HB       CYS   7  -0.455  -1.768  -0.677
   49   2HB   CYS   7          1HB       CYS   7   0.751  -2.906  -0.151
   50    H    THR   8           H        THR   8  -0.006  -4.978   0.911
   51    HA   THR   8           HA       THR   8   1.446  -6.753   1.293
   52    HB   THR   8           HB       THR   8   0.231  -8.983   0.361
   53    HG1  THR   8           HG1      THR   8  -0.887  -7.643  -1.223
   54   1HG2  THR   8          1HG2      THR   8  -1.056  -6.859   2.104
   55   2HG2  THR   8          2HG2      THR   8   0.039  -8.125   2.646
   56   3HG2  THR   8          3HG2      THR   8  -1.564  -8.553   2.044
   57    H    VAL   9           H        VAL   9   2.419  -5.353  -0.711
   58    HA   VAL   9           HA       VAL   9   4.045  -7.375  -2.090
   59    HB   VAL   9           HB       VAL   9   2.400  -5.243  -3.576
   60   1HG1  VAL   9          1HG1      VAL   9   3.680  -6.039  -5.658
   61   2HG1  VAL   9          2HG1      VAL   9   4.820  -6.813  -4.568
   62   3HG1  VAL   9          3HG1      VAL   9   4.626  -5.068  -4.550
   63   1HG2  VAL   9          1HG2      VAL   9   1.806  -7.271  -5.018
   64   2HG2  VAL   9          2HG2      VAL   9   1.204  -7.366  -3.380
   65   3HG2  VAL   9          3HG2      VAL   9   2.635  -8.274  -3.842
   66    H    THR  10           H        THR  10   3.413  -3.923  -2.307
   67    HA   THR  10           HA       THR  10   6.236  -3.177  -2.229
   68    HB   THR  10           HB       THR  10   5.351  -0.842  -2.390
   69    HG1  THR  10           HG1      THR  10   3.178  -2.247  -1.385
   70   1HG2  THR  10          1HG2      THR  10   3.698  -2.865  -4.030
   71   2HG2  THR  10          2HG2      THR  10   5.137  -2.019  -4.577
   72   3HG2  THR  10          3HG2      THR  10   3.647  -1.136  -4.288
   73    H    ALA  11           H        ALA  11   4.069  -4.088   0.110
   74    HA   ALA  11           HA       ALA  11   4.391  -2.337   2.235
   75   1HB   ALA  11          1HB       ALA  11   3.797  -4.275   3.664
   76   2HB   ALA  11          2HB       ALA  11   4.194  -5.374   2.350
   77   3HB   ALA  11          3HB       ALA  11   2.831  -4.274   2.197
   78    H    LEU  12           H        LEU  12   6.685  -4.409   0.818
   79    HA   LEU  12           HA       LEU  12   8.457  -5.054   2.841
   80   1HB   LEU  12          2HB       LEU  12   9.008  -4.293  -0.047
   81   2HB   LEU  12          1HB       LEU  12  10.204  -5.048   0.985
   82    HG   LEU  12           HG       LEU  12   7.469  -6.337   0.555
   83   1HD1  LEU  12          1HD1      LEU  12   8.461  -7.670  -1.264
   84   2HD1  LEU  12          2HD1      LEU  12   9.978  -6.798  -1.114
   85   3HD1  LEU  12          3HD1      LEU  12   8.536  -5.968  -1.678
   86   1HD2  LEU  12          1HD2      LEU  12  10.211  -7.384   1.400
   87   2HD2  LEU  12          2HD2      LEU  12   8.818  -8.410   1.100
   88   3HD2  LEU  12          3HD2      LEU  12   8.784  -7.253   2.415
   89    H    LEU  13           H        LEU  13   8.267  -2.084   0.968
   90    HA   LEU  13           HA       LEU  13  10.440  -0.878   2.416
   91   1HB   LEU  13          2HB       LEU  13  10.269   0.941   0.823
   92   2HB   LEU  13          1HB       LEU  13  10.176  -0.573  -0.039
   93    HG   LEU  13           HG       LEU  13   7.489   0.053   0.680
   94   1HD1  LEU  13          1HD1      LEU  13   7.072   2.281   0.176
   95   2HD1  LEU  13          2HD1      LEU  13   8.496   2.451  -0.836
   96   3HD1  LEU  13          3HD1      LEU  13   8.655   2.454   0.908
   97   1HD2  LEU  13          1HD2      LEU  13   8.912   0.372  -1.999
   98   2HD2  LEU  13          2HD2      LEU  13   7.176   0.243  -1.782
   99   3HD2  LEU  13          3HD2      LEU  13   8.212  -1.118  -1.392
  100    H    GLY  14           H        GLY  14   7.186  -1.223   2.814
  101   1HA   GLY  14          2HA       GLY  14   5.961  -0.477   4.726
  102   2HA   GLY  14          1HA       GLY  14   7.050   0.898   4.887
  103    H    CYS  15           H        CYS  15   5.481  -0.166   1.925
  104    HA   CYS  15           HA       CYS  15   4.417   2.506   1.456
  105   1HB   CYS  15          2HB       CYS  15   5.197   0.562  -0.217
  106   2HB   CYS  15          1HB       CYS  15   3.496   0.201  -0.184
  107    H    SER  16           H        SER  16   3.130   2.924   3.072
  108    HA   SER  16           HA       SER  16   0.901   1.478   4.069
  109   1HB   SER  16          2HB       SER  16   1.325   4.491   4.024
  110   2HB   SER  16          1HB       SER  16   0.238   3.604   5.106
  111    HG   SER  16           HG       SER  16   3.046   3.232   4.851
  112    H    CYS  17           H        CYS  17  -0.879   1.006   3.131
  113    HA   CYS  17           HA       CYS  17  -1.746   1.949   0.586
  114   1HB   CYS  17          2HB       CYS  17  -3.014   0.317   2.763
  115   2HB   CYS  17          1HB       CYS  17  -3.918   0.737   1.332
  116    H    SER  18           H        SER  18  -1.811   4.183   0.740
  117    HA   SER  18           HA       SER  18  -3.916   5.487   2.372
  118   1HB   SER  18          2HB       SER  18  -1.979   6.753   0.347
  119   2HB   SER  18          1HB       SER  18  -2.896   7.592   1.607
  120    HG   SER  18           HG       SER  18  -0.836   5.682   1.898
  121    H    ASN  19           H        ASN  19  -5.883   5.791   1.515
  122    HA   ASN  19           HA       ASN  19  -7.683   5.633   0.061
  123   1HB   ASN  19          2HB       ASN  19  -7.454   7.107  -1.977
  124   2HB   ASN  19          1HB       ASN  19  -6.954   7.920  -0.509
  125   1HD2  ASN  19          1HD2      ASN  19  -4.707   8.494  -0.304
  126   2HD2  ASN  19          2HD2      ASN  19  -3.623   8.376  -1.605
  127    H    ARG  20           H        ARG  20  -6.268   3.453   0.108
  128    HA   ARG  20           HA       ARG  20  -5.869   1.412  -0.906
  129   1HB   ARG  20          2HB       ARG  20  -7.935   2.627  -2.783
  130   2HB   ARG  20          1HB       ARG  20  -7.319   1.018  -3.046
  131   1HG   ARG  20          2HG       ARG  20  -8.623   0.129  -1.434
  132   2HG   ARG  20          1HG       ARG  20  -8.078   1.238  -0.223
  133   1HD   ARG  20          2HD       ARG  20 -10.131   1.825  -2.405
  134   2HD   ARG  20          1HD       ARG  20 -10.547   1.366  -0.753
  135    HE   ARG  20           HE       ARG  20  -8.815   3.582  -0.545
  136   1HH1  ARG  20          2HH1      ARG  20 -11.916   2.843  -1.896
  137   2HH1  ARG  20          1HH1      ARG  20 -12.515   4.456  -1.702
  138   1HH2  ARG  20          1HH2      ARG  20  -9.549   5.635  -0.289
  139   2HH2  ARG  20          2HH2      ARG  20 -11.155   6.060  -0.778
  140    H    VAL  21           H        VAL  21  -4.070   3.410  -1.417
  141    HA   VAL  21           HA       VAL  21  -2.800   2.429  -3.936
  142    HB   VAL  21           HB       VAL  21  -3.052   5.354  -3.030
  143   1HG1  VAL  21          1HG1      VAL  21  -1.289   4.176  -5.234
  144   2HG1  VAL  21          2HG1      VAL  21  -0.706   4.945  -3.769
  145   3HG1  VAL  21          3HG1      VAL  21  -1.554   5.892  -4.974
  146   1HG2  VAL  21          1HG2      VAL  21  -3.984   5.648  -5.329
  147   2HG2  VAL  21          2HG2      VAL  21  -4.932   4.477  -4.428
  148   3HG2  VAL  21          3HG2      VAL  21  -3.778   3.933  -5.635
  149    H    CYS  22           H        CYS  22  -0.906   1.557  -3.367
  150    HA   CYS  22           HA       CYS  22   0.168   1.580  -0.737
  151   1HB   CYS  22          2HB       CYS  22   1.924   1.175  -3.165
  152   2HB   CYS  22          1HB       CYS  22   1.896   0.311  -1.648
  153    H    TYR  23           H        TYR  23   1.029   3.239   0.291
  154    HA   TYR  23           HA       TYR  23   2.649   5.271  -1.150
  155   1HB   TYR  23          2HB       TYR  23   0.039   5.662  -0.025
  156   2HB   TYR  23          1HB       TYR  23   1.160   6.630   0.906
  157    HD1  TYR  23           HD1      TYR  23   2.865   8.066  -0.447
  158    HD2  TYR  23           HD2      TYR  23  -0.709   6.445  -2.097
  159    HE1  TYR  23           HE1      TYR  23   2.945   9.717  -2.238
  160    HE2  TYR  23           HE2      TYR  23  -0.634   8.092  -3.892
  161    HH   TYR  23           HH       TYR  23   1.681   9.563  -4.945
  162    H    ASN  24           H        ASN  24   4.368   6.117  -0.243
  163    HA   ASN  24           HA       ASN  24   4.867   6.028   2.664
  164   1HB   ASN  24          2HB       ASN  24   5.777   3.811   1.554
  165   2HB   ASN  24          1HB       ASN  24   6.986   4.799   0.789
  166   1HD2  ASN  24          1HD2      ASN  24   7.709   2.819   2.484
  167   2HD2  ASN  24          2HD2      ASN  24   8.402   3.519   3.860
  168    H    GLY  25           H        GLY  25   4.310   8.219   1.626
  169   1HA   GLY  25          2HA       GLY  25   5.166  10.401   1.570
  170   2HA   GLY  25          1HA       GLY  25   6.764   9.702   1.271
  171    H    ILE  26           H        ILE  26   6.442   8.075  -0.711
  172    HA   ILE  26           HA       ILE  26   5.261   9.454  -3.044
  173    HB   ILE  26           HB       ILE  26   7.247   8.192  -4.204
  174   1HG1  ILE  26          2HG1      ILE  26   8.762   8.593  -1.622
  175   2HG1  ILE  26          1HG1      ILE  26   7.833   7.122  -1.809
  176   1HG2  ILE  26          1HG2      ILE  26   7.092  10.657  -4.119
  177   2HG2  ILE  26          2HG2      ILE  26   8.759  10.175  -3.857
  178   3HG2  ILE  26          3HG2      ILE  26   7.763  10.667  -2.496
  179   1HD1  ILE  26          1HD1      ILE  26  10.127   6.757  -2.587
  180   2HD1  ILE  26          2HD1      ILE  26   9.982   8.082  -3.731
  181   3HD1  ILE  26          3HD1      ILE  26   9.015   6.628  -3.940
  182    HA   PRO  27           HA       PRO  27   3.137   5.612  -3.258
  183   1HB   PRO  27          2HB       PRO  27   2.650   5.368  -5.953
  184   2HB   PRO  27          1HB       PRO  27   1.743   6.413  -4.888
  185   1HG   PRO  27          2HG       PRO  27   3.771   7.100  -6.771
  186   2HG   PRO  27          1HG       PRO  27   2.419   8.065  -6.228
  187   1HD   PRO  27          2HD       PRO  27   5.008   8.521  -5.384
  188   2HD   PRO  27          1HD       PRO  27   3.571   8.962  -4.442
  189    H    CYS  28           H        CYS  28   3.165   3.473  -4.616
  190    HA   CYS  28           HA       CYS  28   5.871   2.714  -5.579
  191   1HB   CYS  28          2HB       CYS  28   4.527   0.918  -3.569
  192   2HB   CYS  28          1HB       CYS  28   6.215   1.004  -3.989
  193    H    ALA  29           H        ALA  29   3.142   3.077  -6.621
  194    HA   ALA  29           HA       ALA  29   1.785   2.146  -8.251
  195   1HB   ALA  29          1HB       ALA  29   3.558  -0.315  -8.418
  196   2HB   ALA  29          2HB       ALA  29   4.170   1.230  -8.982
  197   3HB   ALA  29          3HB       ALA  29   2.730   0.538  -9.706
  198    H    GLU  30           H        GLU  30   0.514   0.126  -8.762
  199    HA   GLU  30           HA       GLU  30  -0.991  -1.526  -8.165
  200   1HB   GLU  30          2HB       GLU  30   1.203  -2.527  -7.143
  201   2HB   GLU  30          1HB       GLU  30   0.592  -1.980  -5.599
  202   1HG   GLU  30          2HG       GLU  30  -1.574  -3.374  -6.927
  203   2HG   GLU  30          1HG       GLU  30  -0.133  -4.356  -7.078
  Start of MODEL    3
    1    H    SER   1           H        SER   1  -2.620  -1.590  -7.313
    2    HA   SER   1           HA       SER   1  -3.342   0.301  -5.168
    3   1HB   SER   1          2HB       SER   1  -5.672   0.048  -6.133
    4   2HB   SER   1          1HB       SER   1  -4.494   0.480  -7.380
    5    HG   SER   1           HG       SER   1  -4.232  -1.805  -7.728
    6    H    CYS   2           H        CYS   2  -4.517  -0.170  -3.430
    7    HA   CYS   2           HA       CYS   2  -4.694  -3.004  -2.585
    8   1HB   CYS   2          2HB       CYS   2  -4.919  -1.603  -0.302
    9   2HB   CYS   2          1HB       CYS   2  -3.436  -2.113  -1.065
   10    H    VAL   3           H        VAL   3  -6.549  -1.889  -4.269
   11    HA   VAL   3           HA       VAL   3  -8.892  -0.818  -3.839
   12    HB   VAL   3           HB       VAL   3  -8.393  -3.553  -5.007
   13   1HG1  VAL   3          1HG1      VAL   3 -10.689  -2.972  -6.240
   14   2HG1  VAL   3          2HG1      VAL   3 -11.043  -2.073  -4.776
   15   3HG1  VAL   3          3HG1      VAL   3 -10.731  -3.802  -4.700
   16   1HG2  VAL   3          1HG2      VAL   3  -8.632  -2.202  -7.038
   17   2HG2  VAL   3          2HG2      VAL   3  -7.398  -1.548  -5.952
   18   3HG2  VAL   3          3HG2      VAL   3  -8.987  -0.788  -6.031
   19    H    TYR   4           H        TYR   4  -8.588  -4.113  -2.843
   20    HA   TYR   4           HA       TYR   4 -10.671  -3.648  -0.698
   21   1HB   TYR   4          2HB       TYR   4 -10.436  -5.745  -2.800
   22   2HB   TYR   4          1HB       TYR   4 -10.713  -6.337  -1.171
   23    HD1  TYR   4           HD1      TYR   4 -11.991  -3.280  -2.979
   24    HD2  TYR   4           HD2      TYR   4 -12.970  -6.879  -0.920
   25    HE1  TYR   4           HE1      TYR   4 -14.362  -2.730  -3.146
   26    HE2  TYR   4           HE2      TYR   4 -15.346  -6.321  -1.090
   27    HH   TYR   4           HH       TYR   4 -16.665  -3.945  -1.346
   28    H    ILE   5           H        ILE   5  -7.673  -4.909  -1.668
   29    HA   ILE   5           HA       ILE   5  -7.077  -6.303   0.738
   30    HB   ILE   5           HB       ILE   5  -5.140  -7.015  -0.480
   31   1HG1  ILE   5          2HG1      ILE   5  -5.379  -4.946  -2.645
   32   2HG1  ILE   5          1HG1      ILE   5  -4.590  -4.465  -1.151
   33   1HG2  ILE   5          1HG2      ILE   5  -7.071  -6.493  -2.727
   34   2HG2  ILE   5          2HG2      ILE   5  -7.343  -7.700  -1.481
   35   3HG2  ILE   5          3HG2      ILE   5  -5.947  -7.826  -2.533
   36   1HD1  ILE   5          1HD1      ILE   5  -2.887  -5.253  -2.649
   37   2HD1  ILE   5          2HD1      ILE   5  -3.746  -6.757  -2.939
   38   3HD1  ILE   5          3HD1      ILE   5  -3.054  -6.425  -1.356
   39    HA   PRO   6           HA       PRO   6  -4.690  -2.867   2.512
   40   1HB   PRO   6          2HB       PRO   6  -2.424  -4.127   3.557
   41   2HB   PRO   6          1HB       PRO   6  -4.024  -4.246   4.281
   42   1HG   PRO   6          2HG       PRO   6  -2.522  -6.312   2.820
   43   2HG   PRO   6          1HG       PRO   6  -3.966  -6.498   3.805
   44   1HD   PRO   6          2HD       PRO   6  -3.784  -6.280   0.851
   45   2HD   PRO   6          1HD       PRO   6  -5.209  -6.717   1.830
   46    H    CYS   7           H        CYS   7  -2.383  -4.929   0.835
   47    HA   CYS   7           HA       CYS   7  -1.630  -3.105  -1.177
   48   1HB   CYS   7          2HB       CYS   7  -0.628  -1.809   0.664
   49   2HB   CYS   7          1HB       CYS   7   0.299  -3.199   1.168
   50    H    THR   8           H        THR   8  -0.284  -5.422   1.021
   51    HA   THR   8           HA       THR   8   1.189  -7.135   0.819
   52    HB   THR   8           HB       THR   8  -1.339  -7.808   0.381
   53    HG1  THR   8           HG1      THR   8   0.403  -9.199   1.070
   54   1HG2  THR   8          1HG2      THR   8  -0.341  -8.911  -2.222
   55   2HG2  THR   8          2HG2      THR   8  -1.079  -7.317  -2.165
   56   3HG2  THR   8          3HG2      THR   8  -1.983  -8.716  -1.630
   57    H    VAL   9           H        VAL   9   1.996  -5.225  -1.101
   58    HA   VAL   9           HA       VAL   9   3.700  -7.073  -2.696
   59    HB   VAL   9           HB       VAL   9   2.134  -4.795  -4.003
   60   1HG1  VAL   9          1HG1      VAL   9   2.913  -5.917  -6.127
   61   2HG1  VAL   9          2HG1      VAL   9   3.895  -7.005  -5.159
   62   3HG1  VAL   9          3HG1      VAL   9   4.243  -5.283  -5.175
   63   1HG2  VAL   9          1HG2      VAL   9   0.539  -6.595  -3.394
   64   2HG2  VAL   9          2HG2      VAL   9   1.604  -7.820  -4.010
   65   3HG2  VAL   9          3HG2      VAL   9   0.806  -6.706  -5.104
   66    H    THR  10           H        THR  10   3.040  -3.640  -2.279
   67    HA   THR  10           HA       THR  10   5.964  -2.998  -2.428
   68    HB   THR  10           HB       THR  10   5.162  -0.645  -2.495
   69    HG1  THR  10           HG1      THR  10   3.281  -1.019  -1.320
   70   1HG2  THR  10          1HG2      THR  10   5.299  -1.695  -4.737
   71   2HG2  THR  10          2HG2      THR  10   3.714  -0.946  -4.655
   72   3HG2  THR  10          3HG2      THR  10   3.874  -2.676  -4.432
   73    H    ALA  11           H        ALA  11   3.781  -3.878  -0.100
   74    HA   ALA  11           HA       ALA  11   4.220  -2.062   1.987
   75   1HB   ALA  11          1HB       ALA  11   3.386  -3.902   3.444
   76   2HB   ALA  11          2HB       ALA  11   3.622  -5.044   2.127
   77   3HB   ALA  11          3HB       ALA  11   2.423  -3.769   1.981
   78    H    LEU  12           H        LEU  12   6.278  -4.293   0.540
   79    HA   LEU  12           HA       LEU  12   7.942  -5.233   2.541
   80   1HB   LEU  12          2HB       LEU  12   8.238  -4.648  -0.389
   81   2HB   LEU  12          1HB       LEU  12   9.709  -5.001   0.489
   82    HG   LEU  12           HG       LEU  12   7.297  -6.831   0.779
   83   1HD1  LEU  12          1HD1      LEU  12   8.249  -8.220  -1.068
   84   2HD1  LEU  12          2HD1      LEU  12   9.429  -6.961  -1.400
   85   3HD1  LEU  12          3HD1      LEU  12   7.718  -6.653  -1.652
   86   1HD2  LEU  12          1HD2      LEU  12  10.311  -7.302   0.966
   87   2HD2  LEU  12          2HD2      LEU  12   9.065  -8.492   1.309
   88   3HD2  LEU  12          3HD2      LEU  12   9.245  -7.088   2.345
   89    H    LEU  13           H        LEU  13   8.137  -2.180   0.801
   90    HA   LEU  13           HA       LEU  13  10.444  -1.350   2.308
   91   1HB   LEU  13          2HB       LEU  13  10.408   0.649   0.851
   92   2HB   LEU  13          1HB       LEU  13  10.382  -0.834  -0.068
   93    HG   LEU  13           HG       LEU  13   7.662   0.049   0.590
   94   1HD1  LEU  13          1HD1      LEU  13   7.534   2.134  -0.516
   95   2HD1  LEU  13          2HD1      LEU  13   9.030   1.884  -1.397
   96   3HD1  LEU  13          3HD1      LEU  13   9.076   2.291   0.304
   97   1HD2  LEU  13          1HD2      LEU  13   9.083  -0.403  -2.080
   98   2HD2  LEU  13          2HD2      LEU  13   7.346  -0.295  -1.859
   99   3HD2  LEU  13          3HD2      LEU  13   8.237  -1.641  -1.167
  100    H    GLY  14           H        GLY  14   7.254  -1.415   2.855
  101   1HA   GLY  14          2HA       GLY  14   6.134  -0.602   4.788
  102   2HA   GLY  14          1HA       GLY  14   7.351   0.659   4.963
  103    H    CYS  15           H        CYS  15   5.577  -0.168   2.045
  104    HA   CYS  15           HA       CYS  15   4.713   2.617   1.766
  105   1HB   CYS  15          2HB       CYS  15   5.585   0.933  -0.039
  106   2HB   CYS  15          1HB       CYS  15   3.945   0.369  -0.094
  107    H    SER  16           H        SER  16   3.364   2.936   3.338
  108    HA   SER  16           HA       SER  16   1.080   1.493   4.171
  109   1HB   SER  16          2HB       SER  16   1.725   4.442   4.366
  110   2HB   SER  16          1HB       SER  16   0.418   3.638   5.255
  111    HG   SER  16           HG       SER  16   2.017   2.181   6.068
  112    H    CYS  17           H        CYS  17  -0.714   1.146   3.189
  113    HA   CYS  17           HA       CYS  17  -1.531   2.423   0.754
  114   1HB   CYS  17          2HB       CYS  17  -2.134   0.179   1.310
  115   2HB   CYS  17          1HB       CYS  17  -3.102   0.694   2.672
  116    H    SER  18           H        SER  18  -2.689   4.021   0.319
  117    HA   SER  18           HA       SER  18  -4.469   5.385   2.269
  118   1HB   SER  18          2HB       SER  18  -2.436   6.846   0.466
  119   2HB   SER  18          1HB       SER  18  -3.474   7.583   1.699
  120    HG   SER  18           HG       SER  18  -2.423   6.291   3.246
  121    H    ASN  19           H        ASN  19  -6.356   5.775   1.241
  122    HA   ASN  19           HA       ASN  19  -8.012   5.589  -0.387
  123   1HB   ASN  19          2HB       ASN  19  -7.572   7.035  -2.416
  124   2HB   ASN  19          1HB       ASN  19  -7.246   7.871  -0.912
  125   1HD2  ASN  19          1HD2      ASN  19  -5.035   8.446  -0.451
  126   2HD2  ASN  19          2HD2      ASN  19  -3.816   8.344  -1.628
  127    H    ARG  20           H        ARG  20  -6.537   3.425  -0.154
  128    HA   ARG  20           HA       ARG  20  -5.993   1.381  -1.068
  129   1HB   ARG  20          2HB       ARG  20  -8.106   2.504  -2.889
  130   2HB   ARG  20          1HB       ARG  20  -7.295   1.057  -3.434
  131   1HG   ARG  20          2HG       ARG  20  -8.283  -0.279  -1.888
  132   2HG   ARG  20          1HG       ARG  20  -8.083   0.791  -0.573
  133   1HD   ARG  20          2HD       ARG  20 -10.489   0.502  -1.171
  134   2HD   ARG  20          1HD       ARG  20 -10.030   2.170  -1.526
  135    HE   ARG  20           HE       ARG  20  -9.573   1.108  -3.915
  136   1HH1  ARG  20          2HH1      ARG  20 -12.223   0.497  -1.749
  137   2HH1  ARG  20          1HH1      ARG  20 -13.314   0.120  -3.035
  138   1HH2  ARG  20          1HH2      ARG  20 -10.941   0.639  -5.533
  139   2HH2  ARG  20          2HH2      ARG  20 -12.585   0.204  -5.205
  140    H    VAL  21           H        VAL  21  -4.203   3.392  -1.503
  141    HA   VAL  21           HA       VAL  21  -2.737   2.392  -3.901
  142    HB   VAL  21           HB       VAL  21  -3.106   5.324  -3.075
  143   1HG1  VAL  21          1HG1      VAL  21  -0.729   5.003  -3.673
  144   2HG1  VAL  21          2HG1      VAL  21  -1.532   5.828  -4.992
  145   3HG1  VAL  21          3HG1      VAL  21  -1.179   4.113  -5.117
  146   1HG2  VAL  21          1HG2      VAL  21  -4.896   4.390  -4.545
  147   2HG2  VAL  21          2HG2      VAL  21  -3.677   3.830  -5.678
  148   3HG2  VAL  21          3HG2      VAL  21  -3.924   5.551  -5.429
  149    H    CYS  22           H        CYS  22  -1.035   1.362  -2.990
  150    HA   CYS  22           HA       CYS  22  -0.040   1.641  -0.358
  151   1HB   CYS  22          2HB       CYS  22   1.529   0.969  -2.828
  152   2HB   CYS  22          1HB       CYS  22   1.956   0.532  -1.190
  153    H    TYR  23           H        TYR  23   1.162   3.240   0.583
  154    HA   TYR  23           HA       TYR  23   2.634   5.189  -1.123
  155   1HB   TYR  23          2HB       TYR  23   0.179   5.694   0.277
  156   2HB   TYR  23          1HB       TYR  23   1.426   6.618   1.086
  157    HD1  TYR  23           HD1      TYR  23   2.954   8.087  -0.341
  158    HD2  TYR  23           HD2      TYR  23  -0.652   6.372  -1.818
  159    HE1  TYR  23           HE1      TYR  23   2.922   9.717  -2.146
  160    HE2  TYR  23           HE2      TYR  23  -0.692   7.994  -3.628
  161    HH   TYR  23           HH       TYR  23   1.497   9.486  -4.817
  162    H    ASN  24           H        ASN  24   4.482   6.065  -0.364
  163    HA   ASN  24           HA       ASN  24   5.218   5.746   2.491
  164   1HB   ASN  24          2HB       ASN  24   6.038   3.749   0.791
  165   2HB   ASN  24          1HB       ASN  24   7.333   4.859   0.473
  166   1HD2  ASN  24          1HD2      ASN  24   7.796   2.455   1.647
  167   2HD2  ASN  24          2HD2      ASN  24   8.364   2.742   3.216
  168    H    GLY  25           H        GLY  25   4.467   7.989   1.611
  169   1HA   GLY  25          2HA       GLY  25   5.192  10.211   1.726
  170   2HA   GLY  25          1HA       GLY  25   6.827   9.636   1.357
  171    H    ILE  26           H        ILE  26   6.501   8.105  -0.719
  172    HA   ILE  26           HA       ILE  26   5.229   9.561  -2.951
  173    HB   ILE  26           HB       ILE  26   7.253   8.392  -4.194
  174   1HG1  ILE  26          2HG1      ILE  26   8.002   7.265  -1.952
  175   2HG1  ILE  26          1HG1      ILE  26   9.204   7.843  -3.074
  176   1HG2  ILE  26          1HG2      ILE  26   8.685  10.472  -3.800
  177   2HG2  ILE  26          2HG2      ILE  26   7.497  10.959  -2.598
  178   3HG2  ILE  26          3HG2      ILE  26   7.022  10.770  -4.277
  179   1HD1  ILE  26          1HD1      ILE  26   9.476   8.417  -0.536
  180   2HD1  ILE  26          2HD1      ILE  26   8.290   9.671  -0.833
  181   3HD1  ILE  26          3HD1      ILE  26   9.806   9.670  -1.716
  182    HA   PRO  27           HA       PRO  27   3.213   5.684  -3.236
  183   1HB   PRO  27          2HB       PRO  27   2.727   5.464  -5.933
  184   2HB   PRO  27          1HB       PRO  27   1.791   6.458  -4.844
  185   1HG   PRO  27          2HG       PRO  27   3.806   7.229  -6.701
  186   2HG   PRO  27          1HG       PRO  27   2.412   8.152  -6.185
  187   1HD   PRO  27          2HD       PRO  27   4.967   8.704  -5.316
  188   2HD   PRO  27          1HD       PRO  27   3.521   9.054  -4.348
  189    H    CYS  28           H        CYS  28   3.252   3.582  -4.588
  190    HA   CYS  28           HA       CYS  28   5.969   2.791  -5.522
  191   1HB   CYS  28          2HB       CYS  28   5.620   0.658  -4.074
  192   2HB   CYS  28          1HB       CYS  28   6.090   2.095  -3.212
  193    H    ALA  29           H        ALA  29   2.909   3.095  -6.237
  194    HA   ALA  29           HA       ALA  29   1.543   2.245  -7.915
  195   1HB   ALA  29          1HB       ALA  29   2.475   0.856  -9.589
  196   2HB   ALA  29          2HB       ALA  29   3.406  -0.098  -8.451
  197   3HB   ALA  29          3HB       ALA  29   3.946   1.514  -8.899
  198    H    GLU  30           H        GLU  30   0.642  -0.149  -8.502
  199    HA   GLU  30           HA       GLU  30  -0.603  -1.974  -7.803
  200   1HB   GLU  30          2HB       GLU  30   1.694  -2.571  -6.696
  201   2HB   GLU  30          1HB       GLU  30   1.003  -2.024  -5.189
  202   1HG   GLU  30          2HG       GLU  30  -0.410  -4.076  -6.945
  203   2HG   GLU  30          1HG       GLU  30   0.811  -4.557  -5.795
  Start of MODEL    4
    1    H    SER   1           H        SER   1  -2.983  -1.502  -7.127
    2    HA   SER   1           HA       SER   1  -3.381   0.431  -4.902
    3   1HB   SER   1          2HB       SER   1  -5.828   0.370  -5.728
    4   2HB   SER   1          1HB       SER   1  -4.678   0.959  -6.936
    5    HG   SER   1           HG       SER   1  -4.574  -1.106  -7.792
    6    H    CYS   2           H        CYS   2  -4.705  -0.021  -3.200
    7    HA   CYS   2           HA       CYS   2  -4.990  -2.882  -2.484
    8   1HB   CYS   2          2HB       CYS   2  -5.296  -0.682  -0.468
    9   2HB   CYS   2          1HB       CYS   2  -4.574  -2.242  -0.285
   10    H    VAL   3           H        VAL   3  -6.759  -1.634  -4.167
   11    HA   VAL   3           HA       VAL   3  -9.074  -0.462  -3.735
   12    HB   VAL   3           HB       VAL   3  -9.048  -3.295  -4.845
   13   1HG1  VAL   3          1HG1      VAL   3 -11.337  -2.288  -4.561
   14   2HG1  VAL   3          2HG1      VAL   3 -10.919  -2.440  -6.255
   15   3HG1  VAL   3          3HG1      VAL   3 -10.821  -0.874  -5.459
   16   1HG2  VAL   3          1HG2      VAL   3  -7.290  -2.125  -5.907
   17   2HG2  VAL   3          2HG2      VAL   3  -8.185  -0.610  -5.929
   18   3HG2  VAL   3          3HG2      VAL   3  -8.650  -1.926  -7.007
   19    H    TYR   4           H        TYR   4  -8.829  -3.826  -2.755
   20    HA   TYR   4           HA       TYR   4 -10.849  -3.322  -0.610
   21   1HB   TYR   4          2HB       TYR   4 -10.651  -5.484  -2.726
   22   2HB   TYR   4          1HB       TYR   4 -11.179  -5.937  -1.120
   23    HD1  TYR   4           HD1      TYR   4 -13.154  -4.597  -0.085
   24    HD2  TYR   4           HD2      TYR   4 -12.177  -4.443  -4.227
   25    HE1  TYR   4           HE1      TYR   4 -15.387  -3.725  -0.582
   26    HE2  TYR   4           HE2      TYR   4 -14.410  -3.571  -4.719
   27    HH   TYR   4           HH       TYR   4 -16.547  -3.380  -3.847
   28    H    ILE   5           H        ILE   5  -8.497  -5.530  -1.919
   29    HA   ILE   5           HA       ILE   5  -7.551  -6.548   0.528
   30    HB   ILE   5           HB       ILE   5  -5.651  -7.375  -1.017
   31   1HG1  ILE   5          2HG1      ILE   5  -7.384  -6.551  -3.346
   32   2HG1  ILE   5          1HG1      ILE   5  -6.274  -5.365  -2.699
   33   1HG2  ILE   5          1HG2      ILE   5  -8.560  -7.959  -1.709
   34   2HG2  ILE   5          2HG2      ILE   5  -7.607  -8.776  -0.480
   35   3HG2  ILE   5          3HG2      ILE   5  -7.213  -8.983  -2.179
   36   1HD1  ILE   5          1HD1      ILE   5  -4.381  -6.942  -2.989
   37   2HD1  ILE   5          2HD1      ILE   5  -5.199  -6.631  -4.512
   38   3HD1  ILE   5          3HD1      ILE   5  -5.483  -8.138  -3.657
   39    HA   PRO   6           HA       PRO   6  -4.384  -3.383   1.443
   40   1HB   PRO   6          2HB       PRO   6  -2.412  -5.148   2.421
   41   2HB   PRO   6          1HB       PRO   6  -3.629  -4.301   3.361
   42   1HG   PRO   6          2HG       PRO   6  -3.563  -7.127   2.497
   43   2HG   PRO   6          1HG       PRO   6  -4.397  -6.397   3.868
   44   1HD   PRO   6          2HD       PRO   6  -5.660  -7.236   1.488
   45   2HD   PRO   6          1HD       PRO   6  -6.364  -6.052   2.603
   46    H    CYS   7           H        CYS   7  -1.820  -3.357   1.091
   47    HA   CYS   7           HA       CYS   7  -1.452  -3.646  -1.806
   48   1HB   CYS   7          2HB       CYS   7  -0.523  -1.711  -0.441
   49   2HB   CYS   7          1HB       CYS   7   0.611  -2.818   0.279
   50    H    THR   8           H        THR   8   0.173  -4.830   1.067
   51    HA   THR   8           HA       THR   8   1.700  -6.542   1.426
   52    HB   THR   8           HB       THR   8   0.504  -8.842   0.701
   53    HG1  THR   8           HG1      THR   8  -1.497  -6.876   0.256
   54   1HG2  THR   8          1HG2      THR   8  -0.795  -6.642   2.342
   55   2HG2  THR   8          2HG2      THR   8   0.378  -7.812   2.930
   56   3HG2  THR   8          3HG2      THR   8  -1.231  -8.353   2.436
   57    H    VAL   9           H        VAL   9   2.377  -5.185  -0.807
   58    HA   VAL   9           HA       VAL   9   3.967  -7.248  -2.202
   59    HB   VAL   9           HB       VAL   9   2.214  -5.126  -3.582
   60   1HG1  VAL   9          1HG1      VAL   9   4.385  -5.010  -4.726
   61   2HG1  VAL   9          2HG1      VAL   9   3.314  -5.949  -5.745
   62   3HG1  VAL   9          3HG1      VAL   9   4.515  -6.759  -4.756
   63   1HG2  VAL   9          1HG2      VAL   9   1.162  -7.375  -3.123
   64   2HG2  VAL   9          2HG2      VAL   9   2.468  -8.144  -4.003
   65   3HG2  VAL   9          3HG2      VAL   9   1.344  -7.090  -4.839
   66    H    THR  10           H        THR  10   3.346  -3.776  -2.293
   67    HA   THR  10           HA       THR  10   6.256  -3.179  -2.250
   68    HB   THR  10           HB       THR  10   5.609  -0.888  -2.824
   69    HG1  THR  10           HG1      THR  10   3.473  -0.306  -2.651
   70   1HG2  THR  10          1HG2      THR  10   3.954  -1.247  -4.743
   71   2HG2  THR  10          2HG2      THR  10   3.736  -2.898  -4.224
   72   3HG2  THR  10          3HG2      THR  10   5.302  -2.368  -4.819
   73    H    ALA  11           H        ALA  11   3.718  -3.565  -0.064
   74    HA   ALA  11           HA       ALA  11   4.143  -1.592   1.854
   75   1HB   ALA  11          1HB       ALA  11   2.251  -3.195   1.900
   76   2HB   ALA  11          2HB       ALA  11   3.095  -3.203   3.440
   77   3HB   ALA  11          3HB       ALA  11   3.359  -4.502   2.286
   78    H    LEU  12           H        LEU  12   6.105  -4.192   0.936
   79    HA   LEU  12           HA       LEU  12   7.556  -4.916   3.167
   80   1HB   LEU  12          2HB       LEU  12   7.995  -4.880   0.220
   81   2HB   LEU  12          1HB       LEU  12   9.461  -5.018   1.157
   82    HG   LEU  12           HG       LEU  12   7.170  -6.798   1.984
   83   1HD1  LEU  12          1HD1      LEU  12   8.729  -7.135  -0.603
   84   2HD1  LEU  12          2HD1      LEU  12   6.990  -7.198  -0.363
   85   3HD1  LEU  12          3HD1      LEU  12   8.002  -8.498   0.230
   86   1HD2  LEU  12          1HD2      LEU  12   9.022  -8.348   2.478
   87   2HD2  LEU  12          2HD2      LEU  12   9.406  -6.777   3.159
   88   3HD2  LEU  12          3HD2      LEU  12  10.166  -7.294   1.662
   89    H    LEU  13           H        LEU  13   8.056  -2.090   1.132
   90    HA   LEU  13           HA       LEU  13  10.376  -1.288   2.637
   91   1HB   LEU  13          2HB       LEU  13  10.523   0.583   1.022
   92   2HB   LEU  13          1HB       LEU  13  10.422  -0.965   0.228
   93    HG   LEU  13           HG       LEU  13   7.729   0.001   0.653
   94   1HD1  LEU  13          1HD1      LEU  13   7.658   2.145  -0.208
   95   2HD1  LEU  13          2HD1      LEU  13   9.087   1.934  -1.201
   96   3HD1  LEU  13          3HD1      LEU  13   9.252   2.247   0.512
   97   1HD2  LEU  13          1HD2      LEU  13   8.482  -1.610  -1.121
   98   2HD2  LEU  13          2HD2      LEU  13   9.360  -0.317  -1.916
   99   3HD2  LEU  13          3HD2      LEU  13   7.608  -0.258  -1.823
  100    H    GLY  14           H        GLY  14   7.074  -0.873   2.783
  101   1HA   GLY  14          2HA       GLY  14   6.135   0.141   4.832
  102   2HA   GLY  14          1HA       GLY  14   7.283   1.461   4.650
  103    H    CYS  15           H        CYS  15   5.604   0.089   1.914
  104    HA   CYS  15           HA       CYS  15   4.444   2.706   1.300
  105   1HB   CYS  15          2HB       CYS  15   5.415   0.749  -0.260
  106   2HB   CYS  15          1HB       CYS  15   3.741   0.292  -0.320
  107    H    SER  16           H        SER  16   3.174   2.907   3.077
  108    HA   SER  16           HA       SER  16   1.013   1.351   3.966
  109   1HB   SER  16          2HB       SER  16   1.345   4.376   4.063
  110   2HB   SER  16          1HB       SER  16   0.272   3.426   5.105
  111    HG   SER  16           HG       SER  16   3.086   3.158   4.833
  112    H    CYS  17           H        CYS  17  -0.883   0.900   3.184
  113    HA   CYS  17           HA       CYS  17  -1.849   1.837   0.664
  114   1HB   CYS  17          2HB       CYS  17  -3.021   0.191   2.886
  115   2HB   CYS  17          1HB       CYS  17  -3.995   0.623   1.506
  116    H    SER  18           H        SER  18  -1.866   4.094   0.906
  117    HA   SER  18           HA       SER  18  -3.946   5.348   2.603
  118   1HB   SER  18          2HB       SER  18  -1.680   6.467   2.364
  119   2HB   SER  18          1HB       SER  18  -1.960   6.616   0.623
  120    HG   SER  18           HG       SER  18  -3.757   7.548   2.608
  121    H    ASN  19           H        ASN  19  -5.931   5.559   1.767
  122    HA   ASN  19           HA       ASN  19  -7.729   5.397   0.306
  123   1HB   ASN  19          2HB       ASN  19  -7.528   6.983  -1.687
  124   2HB   ASN  19          1HB       ASN  19  -7.205   7.736  -0.140
  125   1HD2  ASN  19          1HD2      ASN  19  -5.037   8.464   0.282
  126   2HD2  ASN  19          2HD2      ASN  19  -3.864   8.554  -0.943
  127    H    ARG  20           H        ARG  20  -6.275   3.294   0.231
  128    HA   ARG  20           HA       ARG  20  -5.776   1.329  -0.881
  129   1HB   ARG  20          2HB       ARG  20  -7.850   2.576  -2.741
  130   2HB   ARG  20          1HB       ARG  20  -7.169   1.005  -3.076
  131   1HG   ARG  20          2HG       ARG  20  -8.559   0.013  -1.615
  132   2HG   ARG  20          1HG       ARG  20  -7.961   0.947  -0.286
  133   1HD   ARG  20          2HD       ARG  20  -9.990   1.991  -2.315
  134   2HD   ARG  20          1HD       ARG  20 -10.460   1.102  -0.868
  135    HE   ARG  20           HE       ARG  20  -8.681   3.294  -0.215
  136   1HH1  ARG  20          2HH1      ARG  20 -11.949   2.487  -1.035
  137   2HH1  ARG  20          1HH1      ARG  20 -12.615   3.857  -0.212
  138   1HH2  ARG  20          1HH2      ARG  20  -9.506   5.041   0.835
  139   2HH2  ARG  20          2HH2      ARG  20 -11.215   5.323   0.858
  140    H    VAL  21           H        VAL  21  -4.006   3.400  -1.241
  141    HA   VAL  21           HA       VAL  21  -2.672   2.562  -3.779
  142    HB   VAL  21           HB       VAL  21  -2.976   5.438  -2.750
  143   1HG1  VAL  21          1HG1      VAL  21  -1.233   4.391  -5.040
  144   2HG1  VAL  21          2HG1      VAL  21  -0.620   5.046  -3.534
  145   3HG1  VAL  21          3HG1      VAL  21  -1.483   6.083  -4.650
  146   1HG2  VAL  21          1HG2      VAL  21  -4.855   4.616  -4.164
  147   2HG2  VAL  21          2HG2      VAL  21  -3.714   4.070  -5.381
  148   3HG2  VAL  21          3HG2      VAL  21  -3.908   5.787  -5.066
  149    H    CYS  22           H        CYS  22  -0.819   1.632  -3.188
  150    HA   CYS  22           HA       CYS  22   0.261   1.659  -0.552
  151   1HB   CYS  22          2HB       CYS  22   1.962   1.214  -3.016
  152   2HB   CYS  22          1HB       CYS  22   2.033   0.415  -1.469
  153    H    TYR  23           H        TYR  23   1.300   3.276   0.454
  154    HA   TYR  23           HA       TYR  23   2.831   5.290  -1.101
  155   1HB   TYR  23          2HB       TYR  23   0.318   5.735   0.226
  156   2HB   TYR  23          1HB       TYR  23   1.531   6.670   1.069
  157    HD1  TYR  23           HD1      TYR  23  -0.509   6.470  -1.847
  158    HD2  TYR  23           HD2      TYR  23   3.110   8.152  -0.355
  159    HE1  TYR  23           HE1      TYR  23  -0.542   8.117  -3.642
  160    HE2  TYR  23           HE2      TYR  23   3.075   9.803  -2.144
  161    HH   TYR  23           HH       TYR  23   1.220  10.880  -3.635
  162    H    ASN  24           H        ASN  24   4.668   5.977  -0.359
  163    HA   ASN  24           HA       ASN  24   5.362   5.820   2.519
  164   1HB   ASN  24          2HB       ASN  24   6.153   3.670   1.090
  165   2HB   ASN  24          1HB       ASN  24   7.396   4.728   0.492
  166   1HD2  ASN  24          1HD2      ASN  24   8.037   2.530   1.932
  167   2HD2  ASN  24          2HD2      ASN  24   8.718   3.034   3.397
  168    H    GLY  25           H        GLY  25   4.718   8.050   1.604
  169   1HA   GLY  25          2HA       GLY  25   5.528  10.234   1.574
  170   2HA   GLY  25          1HA       GLY  25   7.128   9.581   1.234
  171    H    ILE  26           H        ILE  26   6.205   7.868  -0.818
  172    HA   ILE  26           HA       ILE  26   5.062   9.424  -3.009
  173    HB   ILE  26           HB       ILE  26   7.717   9.661  -2.730
  174   1HG1  ILE  26          2HG1      ILE  26   6.898   8.896  -5.540
  175   2HG1  ILE  26          1HG1      ILE  26   6.151  10.288  -4.777
  176   1HG2  ILE  26          1HG2      ILE  26   7.606   7.030  -4.256
  177   2HG2  ILE  26          2HG2      ILE  26   8.105   7.183  -2.575
  178   3HG2  ILE  26          3HG2      ILE  26   9.045   7.946  -3.844
  179   1HD1  ILE  26          1HD1      ILE  26   8.442  11.221  -4.332
  180   2HD1  ILE  26          2HD1      ILE  26   8.113  11.011  -6.043
  181   3HD1  ILE  26          3HD1      ILE  26   9.133   9.859  -5.202
  182    HA   PRO  27           HA       PRO  27   3.244   5.517  -3.257
  183   1HB   PRO  27          2HB       PRO  27   2.558   5.272  -5.915
  184   2HB   PRO  27          1HB       PRO  27   1.676   6.218  -4.748
  185   1HG   PRO  27          2HG       PRO  27   3.428   7.088  -6.807
  186   2HG   PRO  27          1HG       PRO  27   2.133   7.968  -6.032
  187   1HD   PRO  27          2HD       PRO  27   4.823   8.431  -5.555
  188   2HD   PRO  27          1HD       PRO  27   3.529   8.900  -4.444
  189    H    CYS  28           H        CYS  28   3.213   3.395  -4.623
  190    HA   CYS  28           HA       CYS  28   5.873   2.702  -5.774
  191   1HB   CYS  28          2HB       CYS  28   4.616   0.882  -3.727
  192   2HB   CYS  28          1HB       CYS  28   6.279   0.924  -4.244
  193    H    ALA  29           H        ALA  29   2.961   3.011  -6.506
  194    HA   ALA  29           HA       ALA  29   1.524   2.132  -8.094
  195   1HB   ALA  29          1HB       ALA  29   3.863   1.353  -9.102
  196   2HB   ALA  29          2HB       ALA  29   2.382   0.644  -9.721
  197   3HB   ALA  29          3HB       ALA  29   3.362  -0.245  -8.568
  198    H    GLU  30           H        GLU  30   0.305   0.059  -8.602
  199    HA   GLU  30           HA       GLU  30  -1.027  -1.728  -7.964
  200   1HB   GLU  30          2HB       GLU  30   1.276  -2.584  -6.964
  201   2HB   GLU  30          1HB       GLU  30   0.618  -2.099  -5.417
  202   1HG   GLU  30          2HG       GLU  30  -0.385  -4.128  -5.318
  203   2HG   GLU  30          1HG       GLU  30  -1.509  -3.547  -6.528
  Start of MODEL    5
    1    H    SER   1           H        SER   1  -2.926  -1.562  -7.089
    2    HA   SER   1           HA       SER   1  -3.428   0.441  -4.948
    3   1HB   SER   1          2HB       SER   1  -5.836   0.329  -5.851
    4   2HB   SER   1          1HB       SER   1  -4.655   0.889  -7.044
    5    HG   SER   1           HG       SER   1  -5.446  -1.808  -6.665
    6    H    CYS   2           H        CYS   2  -4.667   0.000  -3.228
    7    HA   CYS   2           HA       CYS   2  -5.031  -2.842  -2.484
    8   1HB   CYS   2          2HB       CYS   2  -5.239  -0.608  -0.495
    9   2HB   CYS   2          1HB       CYS   2  -4.559  -2.184  -0.291
   10    H    VAL   3           H        VAL   3  -6.802  -1.574  -4.154
   11    HA   VAL   3           HA       VAL   3  -9.081  -0.323  -3.642
   12    HB   VAL   3           HB       VAL   3  -9.169  -3.132  -4.804
   13   1HG1  VAL   3          1HG1      VAL   3 -10.874  -0.652  -5.361
   14   2HG1  VAL   3          2HG1      VAL   3 -11.410  -2.031  -4.421
   15   3HG1  VAL   3          3HG1      VAL   3 -11.057  -2.225  -6.125
   16   1HG2  VAL   3          1HG2      VAL   3  -8.800  -1.755  -6.954
   17   2HG2  VAL   3          2HG2      VAL   3  -7.409  -1.996  -5.901
   18   3HG2  VAL   3          3HG2      VAL   3  -8.268  -0.459  -5.882
   19    H    TYR   4           H        TYR   4  -8.852  -3.702  -2.703
   20    HA   TYR   4           HA       TYR   4 -10.861  -3.217  -0.541
   21   1HB   TYR   4          2HB       TYR   4 -10.614  -5.396  -2.638
   22   2HB   TYR   4          1HB       TYR   4 -11.220  -5.801  -1.047
   23    HD1  TYR   4           HD1      TYR   4 -12.025  -4.321  -4.228
   24    HD2  TYR   4           HD2      TYR   4 -13.242  -4.454  -0.148
   25    HE1  TYR   4           HE1      TYR   4 -14.217  -3.426  -4.849
   26    HE2  TYR   4           HE2      TYR   4 -15.433  -3.560  -0.775
   27    HH   TYR   4           HH       TYR   4 -16.797  -3.671  -3.354
   28    H    ILE   5           H        ILE   5  -8.505  -5.417  -1.854
   29    HA   ILE   5           HA       ILE   5  -7.561  -6.442   0.590
   30    HB   ILE   5           HB       ILE   5  -5.627  -7.217  -0.958
   31   1HG1  ILE   5          2HG1      ILE   5  -7.405  -6.446  -3.272
   32   2HG1  ILE   5          1HG1      ILE   5  -6.308  -5.241  -2.637
   33   1HG2  ILE   5          1HG2      ILE   5  -7.551  -8.658  -0.379
   34   2HG2  ILE   5          2HG2      ILE   5  -7.110  -8.905  -2.060
   35   3HG2  ILE   5          3HG2      ILE   5  -8.508  -7.920  -1.655
   36   1HD1  ILE   5          1HD1      ILE   5  -5.474  -8.004  -3.591
   37   2HD1  ILE   5          2HD1      ILE   5  -4.390  -6.776  -2.952
   38   3HD1  ILE   5          3HD1      ILE   5  -5.239  -6.500  -4.464
   39    HA   PRO   6           HA       PRO   6  -4.339  -3.297   1.464
   40   1HB   PRO   6          2HB       PRO   6  -2.395  -5.103   2.438
   41   2HB   PRO   6          1HB       PRO   6  -3.565  -4.197   3.383
   42   1HG   PRO   6          2HG       PRO   6  -3.594  -7.037   2.593
   43   2HG   PRO   6          1HG       PRO   6  -4.402  -6.248   3.946
   44   1HD   PRO   6          2HD       PRO   6  -5.694  -7.119   1.580
   45   2HD   PRO   6          1HD       PRO   6  -6.374  -5.910   2.681
   46    H    CYS   7           H        CYS   7  -1.796  -3.321   1.079
   47    HA   CYS   7           HA       CYS   7  -1.450  -3.673  -1.814
   48   1HB   CYS   7          2HB       CYS   7  -0.514  -1.710  -0.532
   49   2HB   CYS   7          1HB       CYS   7   0.600  -2.793   0.257
   50    H    THR   8           H        THR   8   0.134  -4.846   1.080
   51    HA   THR   8           HA       THR   8   1.688  -6.535   1.453
   52    HB   THR   8           HB       THR   8   0.489  -8.850   0.756
   53    HG1  THR   8           HG1      THR   8  -0.736  -7.518  -0.853
   54   1HG2  THR   8          1HG2      THR   8  -1.247  -8.342   2.481
   55   2HG2  THR   8          2HG2      THR   8  -0.803  -6.633   2.380
   56   3HG2  THR   8          3HG2      THR   8   0.362  -7.808   2.977
   57    H    VAL   9           H        VAL   9   2.459  -5.224  -0.710
   58    HA   VAL   9           HA       VAL   9   4.027  -7.302  -2.094
   59    HB   VAL   9           HB       VAL   9   2.275  -5.205  -3.513
   60   1HG1  VAL   9          1HG1      VAL   9   4.504  -5.096  -4.602
   61   2HG1  VAL   9          2HG1      VAL   9   3.385  -5.932  -5.659
   62   3HG1  VAL   9          3HG1      VAL   9   4.556  -6.846  -4.721
   63   1HG2  VAL   9          1HG2      VAL   9   1.512  -7.211  -4.822
   64   2HG2  VAL   9          2HG2      VAL   9   1.185  -7.399  -3.112
   65   3HG2  VAL   9          3HG2      VAL   9   2.549  -8.230  -3.837
   66    H    THR  10           H        THR  10   3.428  -3.845  -2.398
   67    HA   THR  10           HA       THR  10   6.311  -3.210  -2.329
   68    HB   THR  10           HB       THR  10   5.635  -0.940  -2.902
   69    HG1  THR  10           HG1      THR  10   3.752  -0.235  -2.267
   70   1HG2  THR  10          1HG2      THR  10   5.203  -2.298  -4.913
   71   2HG2  THR  10          2HG2      THR  10   3.762  -1.322  -4.671
   72   3HG2  THR  10          3HG2      THR  10   3.757  -3.004  -4.212
   73    H    ALA  11           H        ALA  11   3.832  -3.641  -0.105
   74    HA   ALA  11           HA       ALA  11   4.253  -1.704   1.842
   75   1HB   ALA  11          1HB       ALA  11   3.242  -3.364   3.403
   76   2HB   ALA  11          2HB       ALA  11   3.508  -4.630   2.213
   77   3HB   ALA  11          3HB       ALA  11   2.385  -3.325   1.872
   78    H    LEU  12           H        LEU  12   6.290  -4.228   0.852
   79    HA   LEU  12           HA       LEU  12   7.739  -4.942   3.096
   80   1HB   LEU  12          2HB       LEU  12   8.457  -4.694   0.171
   81   2HB   LEU  12          1HB       LEU  12   9.667  -5.233   1.313
   82    HG   LEU  12           HG       LEU  12   6.931  -6.571   1.152
   83   1HD1  LEU  12          1HD1      LEU  12   7.924  -8.251  -0.334
   84   2HD1  LEU  12          2HD1      LEU  12   9.476  -7.430  -0.293
   85   3HD1  LEU  12          3HD1      LEU  12   8.103  -6.676  -1.085
   86   1HD2  LEU  12          1HD2      LEU  12   8.239  -7.059   3.197
   87   2HD2  LEU  12          2HD2      LEU  12   9.655  -7.444   2.234
   88   3HD2  LEU  12          3HD2      LEU  12   8.237  -8.477   2.170
   89    H    LEU  13           H        LEU  13   8.164  -2.111   1.056
   90    HA   LEU  13           HA       LEU  13  10.464  -1.239   2.550
   91   1HB   LEU  13          2HB       LEU  13  10.605   0.579   0.909
   92   2HB   LEU  13          1HB       LEU  13  10.428  -0.961   0.111
   93    HG   LEU  13           HG       LEU  13   7.773   0.021   0.608
   94   1HD1  LEU  13          1HD1      LEU  13   7.689   2.217  -0.154
   95   2HD1  LEU  13          2HD1      LEU  13   9.157   2.076  -1.105
   96   3HD1  LEU  13          3HD1      LEU  13   9.256   2.272   0.632
   97   1HD2  LEU  13          1HD2      LEU  13   7.593  -0.088  -1.855
   98   2HD2  LEU  13          2HD2      LEU  13   8.521  -1.464  -1.283
   99   3HD2  LEU  13          3HD2      LEU  13   9.343  -0.096  -2.011
  100    H    GLY  14           H        GLY  14   7.204  -1.030   2.861
  101   1HA   GLY  14          2HA       GLY  14   6.211  -0.017   4.841
  102   2HA   GLY  14          1HA       GLY  14   7.338   1.325   4.694
  103    H    CYS  15           H        CYS  15   5.628  -0.053   1.960
  104    HA   CYS  15           HA       CYS  15   4.472   2.570   1.363
  105   1HB   CYS  15          2HB       CYS  15   5.403   0.645  -0.243
  106   2HB   CYS  15          1HB       CYS  15   3.738   0.145  -0.235
  107    H    SER  16           H        SER  16   3.214   2.803   3.139
  108    HA   SER  16           HA       SER  16   1.017   1.250   4.008
  109   1HB   SER  16          2HB       SER  16   1.466   4.257   4.177
  110   2HB   SER  16          1HB       SER  16   0.285   3.352   5.141
  111    HG   SER  16           HG       SER  16   2.026   2.042   5.866
  112    H    CYS  17           H        CYS  17  -0.841   0.856   3.141
  113    HA   CYS  17           HA       CYS  17  -1.730   1.852   0.628
  114   1HB   CYS  17          2HB       CYS  17  -3.033   0.254   2.812
  115   2HB   CYS  17          1HB       CYS  17  -3.930   0.711   1.390
  116    H    SER  18           H        SER  18  -1.744   4.094   0.791
  117    HA   SER  18           HA       SER  18  -3.803   5.418   2.472
  118   1HB   SER  18          2HB       SER  18  -1.852   6.682   0.459
  119   2HB   SER  18          1HB       SER  18  -2.737   7.512   1.748
  120    HG   SER  18           HG       SER  18  -0.742   5.523   1.995
  121    H    ASN  19           H        ASN  19  -5.767   5.753   1.627
  122    HA   ASN  19           HA       ASN  19  -7.575   5.647   0.175
  123   1HB   ASN  19          2HB       ASN  19  -7.321   7.149  -1.845
  124   2HB   ASN  19          1HB       ASN  19  -6.835   7.929  -0.353
  125   1HD2  ASN  19          1HD2      ASN  19  -4.589   8.486  -0.106
  126   2HD2  ASN  19          2HD2      ASN  19  -3.490   8.394  -1.396
  127    H    ARG  20           H        ARG  20  -6.202   3.445   0.182
  128    HA   ARG  20           HA       ARG  20  -5.826   1.418  -0.865
  129   1HB   ARG  20          2HB       ARG  20  -7.918   2.698  -2.670
  130   2HB   ARG  20          1HB       ARG  20  -7.292   1.114  -3.048
  131   1HG   ARG  20          2HG       ARG  20  -8.599   0.122  -1.507
  132   2HG   ARG  20          1HG       ARG  20  -7.998   1.102  -0.215
  133   1HD   ARG  20          2HD       ARG  20 -10.069   2.024  -2.261
  134   2HD   ARG  20          1HD       ARG  20 -10.499   1.269  -0.727
  135    HE   ARG  20           HE       ARG  20  -8.689   3.452  -0.256
  136   1HH1  ARG  20          2HH1      ARG  20 -11.960   2.760  -1.160
  137   2HH1  ARG  20          1HH1      ARG  20 -12.574   4.244  -0.514
  138   1HH2  ARG  20          1HH2      ARG  20  -9.441   5.337   0.569
  139   2HH2  ARG  20          2HH2      ARG  20 -11.126   5.728   0.480
  140    H    VAL  21           H        VAL  21  -3.997   3.391  -1.347
  141    HA   VAL  21           HA       VAL  21  -2.751   2.434  -3.886
  142    HB   VAL  21           HB       VAL  21  -2.980   5.347  -2.941
  143   1HG1  VAL  21          1HG1      VAL  21  -1.471   5.910  -4.862
  144   2HG1  VAL  21          2HG1      VAL  21  -1.217   4.199  -5.162
  145   3HG1  VAL  21          3HG1      VAL  21  -0.630   4.930  -3.678
  146   1HG2  VAL  21          1HG2      VAL  21  -3.896   5.663  -5.257
  147   2HG2  VAL  21          2HG2      VAL  21  -4.863   4.519  -4.345
  148   3HG2  VAL  21          3HG2      VAL  21  -3.724   3.941  -5.548
  149    H    CYS  22           H        CYS  22  -0.860   1.498  -3.317
  150    HA   CYS  22           HA       CYS  22   0.211   1.506  -0.683
  151   1HB   CYS  22          2HB       CYS  22   1.936   1.151  -3.150
  152   2HB   CYS  22          1HB       CYS  22   2.048   0.363  -1.599
  153    H    TYR  23           H        TYR  23   1.179   3.125   0.362
  154    HA   TYR  23           HA       TYR  23   2.681   5.206  -1.134
  155   1HB   TYR  23          2HB       TYR  23   0.137   5.549   0.101
  156   2HB   TYR  23          1HB       TYR  23   1.274   6.462   1.066
  157    HD1  TYR  23           HD1      TYR  23   2.878   8.067  -0.180
  158    HD2  TYR  23           HD2      TYR  23  -0.602   6.381  -1.962
  159    HE1  TYR  23           HE1      TYR  23   2.891   9.826  -1.867
  160    HE2  TYR  23           HE2      TYR  23  -0.591   8.133  -3.654
  161    HH   TYR  23           HH       TYR  23   0.294  10.513  -3.838
  162    H    ASN  24           H        ASN  24   4.454   6.005  -0.344
  163    HA   ASN  24           HA       ASN  24   5.138   5.803   2.528
  164   1HB   ASN  24          2HB       ASN  24   6.030   3.716   1.047
  165   2HB   ASN  24          1HB       ASN  24   7.249   4.836   0.520
  166   1HD2  ASN  24          1HD2      ASN  24   7.922   2.615   1.913
  167   2HD2  ASN  24          2HD2      ASN  24   8.549   3.098   3.410
  168    H    GLY  25           H        GLY  25   4.420   8.028   1.659
  169   1HA   GLY  25          2HA       GLY  25   5.141  10.243   1.662
  170   2HA   GLY  25          1HA       GLY  25   6.771   9.656   1.344
  171    H    ILE  26           H        ILE  26   5.972   7.951  -0.752
  172    HA   ILE  26           HA       ILE  26   4.800   9.475  -2.946
  173    HB   ILE  26           HB       ILE  26   7.457   9.830  -2.612
  174   1HG1  ILE  26          2HG1      ILE  26   6.727   9.086  -5.448
  175   2HG1  ILE  26          1HG1      ILE  26   5.867  10.405  -4.676
  176   1HG2  ILE  26          1HG2      ILE  26   8.863   8.198  -3.741
  177   2HG2  ILE  26          2HG2      ILE  26   7.470   7.230  -4.192
  178   3HG2  ILE  26          3HG2      ILE  26   7.939   7.365  -2.503
  179   1HD1  ILE  26          1HD1      ILE  26   8.887  10.212  -4.993
  180   2HD1  ILE  26          2HD1      ILE  26   8.044  11.516  -4.169
  181   3HD1  ILE  26          3HD1      ILE  26   7.815  11.270  -5.892
  182    HA   PRO  27           HA       PRO  27   3.148   5.505  -3.245
  183   1HB   PRO  27          2HB       PRO  27   2.557   5.234  -5.926
  184   2HB   PRO  27          1HB       PRO  27   1.597   6.134  -4.782
  185   1HG   PRO  27          2HG       PRO  27   3.358   7.095  -6.792
  186   2HG   PRO  27          1HG       PRO  27   2.008   7.908  -6.039
  187   1HD   PRO  27          2HD       PRO  27   4.660   8.497  -5.495
  188   2HD   PRO  27          1HD       PRO  27   3.316   8.893  -4.413
  189    H    CYS  28           H        CYS  28   3.212   3.390  -4.572
  190    HA   CYS  28           HA       CYS  28   5.894   2.738  -5.683
  191   1HB   CYS  28          2HB       CYS  28   4.712   0.868  -3.645
  192   2HB   CYS  28          1HB       CYS  28   6.384   1.056  -4.092
  193    H    ALA  29           H        ALA  29   3.061   3.001  -6.531
  194    HA   ALA  29           HA       ALA  29   1.680   2.059  -8.135
  195   1HB   ALA  29          1HB       ALA  29   3.412  -0.417  -8.381
  196   2HB   ALA  29          2HB       ALA  29   4.068   1.118  -8.929
  197   3HB   ALA  29          3HB       ALA  29   2.591   0.492  -9.637
  198    H    GLU  30           H        GLU  30   0.472  -0.043  -8.586
  199    HA   GLU  30           HA       GLU  30  -0.992  -1.695  -7.936
  200   1HB   GLU  30          2HB       GLU  30   1.021  -2.888  -7.039
  201   2HB   GLU  30          1HB       GLU  30   0.884  -2.037  -5.519
  202   1HG   GLU  30          2HG       GLU  30  -0.080  -4.323  -5.381
  203   2HG   GLU  30          1HG       GLU  30  -1.268  -3.088  -5.026
  Start of MODEL    6
    1    H    SER   1           H        SER   1  -2.769  -1.427  -7.547
    2    HA   SER   1           HA       SER   1  -3.335   0.510  -5.374
    3   1HB   SER   1          2HB       SER   1  -5.692   0.444  -6.327
    4   2HB   SER   1          1HB       SER   1  -4.497   0.866  -7.563
    5    HG   SER   1           HG       SER   1  -5.665  -1.652  -7.029
    6    H    CYS   2           H        CYS   2  -4.212  -0.018  -3.553
    7    HA   CYS   2           HA       CYS   2  -4.808  -2.867  -2.909
    8   1HB   CYS   2          2HB       CYS   2  -4.339  -2.057  -0.575
    9   2HB   CYS   2          1HB       CYS   2  -2.991  -1.867  -1.662
   10    H    VAL   3           H        VAL   3  -6.671  -1.930  -4.274
   11    HA   VAL   3           HA       VAL   3  -8.730  -0.298  -3.598
   12    HB   VAL   3           HB       VAL   3  -9.235  -3.068  -4.706
   13   1HG1  VAL   3          1HG1      VAL   3 -11.017  -1.918  -5.958
   14   2HG1  VAL   3          2HG1      VAL   3 -10.531  -0.363  -5.292
   15   3HG1  VAL   3          3HG1      VAL   3 -11.230  -1.588  -4.250
   16   1HG2  VAL   3          1HG2      VAL   3  -7.901  -0.650  -5.906
   17   2HG2  VAL   3          2HG2      VAL   3  -8.762  -1.810  -6.920
   18   3HG2  VAL   3          3HG2      VAL   3  -7.392  -2.334  -5.948
   19    H    TYR   4           H        TYR   4  -8.648  -3.668  -2.545
   20    HA   TYR   4           HA       TYR   4 -10.652  -2.943  -0.428
   21   1HB   TYR   4          2HB       TYR   4 -10.423  -5.313  -2.313
   22   2HB   TYR   4          1HB       TYR   4 -11.055  -5.551  -0.697
   23    HD1  TYR   4           HD1      TYR   4 -13.191  -4.492  -0.018
   24    HD2  TYR   4           HD2      TYR   4 -11.638  -3.923  -3.943
   25    HE1  TYR   4           HE1      TYR   4 -15.349  -3.592  -0.743
   26    HE2  TYR   4           HE2      TYR   4 -13.798  -3.022  -4.665
   27    HH   TYR   4           HH       TYR   4 -16.516  -3.485  -3.339
   28    H    ILE   5           H        ILE   5  -8.370  -5.298  -1.519
   29    HA   ILE   5           HA       ILE   5  -7.414  -6.043   1.020
   30    HB   ILE   5           HB       ILE   5  -5.637  -7.165  -0.323
   31   1HG1  ILE   5          2HG1      ILE   5  -5.446  -5.540  -2.191
   32   2HG1  ILE   5          1HG1      ILE   5  -5.510  -7.210  -2.676
   33   1HG2  ILE   5          1HG2      ILE   5  -7.279  -8.719  -1.579
   34   2HG2  ILE   5          2HG2      ILE   5  -8.542  -7.646  -0.990
   35   3HG2  ILE   5          3HG2      ILE   5  -7.519  -8.505   0.145
   36   1HD1  ILE   5          1HD1      ILE   5  -7.004  -6.386  -4.210
   37   2HD1  ILE   5          2HD1      ILE   5  -7.471  -5.033  -3.202
   38   3HD1  ILE   5          3HD1      ILE   5  -8.165  -6.622  -2.920
   39    HA   PRO   6           HA       PRO   6  -4.261  -2.779   1.434
   40   1HB   PRO   6          2HB       PRO   6  -2.324  -4.402   2.728
   41   2HB   PRO   6          1HB       PRO   6  -3.508  -3.350   3.483
   42   1HG   PRO   6          2HG       PRO   6  -3.527  -6.273   3.209
   43   2HG   PRO   6          1HG       PRO   6  -4.394  -5.252   4.354
   44   1HD   PRO   6          2HD       PRO   6  -5.559  -6.556   2.116
   45   2HD   PRO   6          1HD       PRO   6  -6.315  -5.204   2.975
   46    H    CYS   7           H        CYS   7  -1.749  -2.797   1.116
   47    HA   CYS   7           HA       CYS   7  -1.308  -3.481  -1.672
   48   1HB   CYS   7          2HB       CYS   7  -0.407  -1.459  -0.533
   49   2HB   CYS   7          1HB       CYS   7   0.665  -2.476   0.386
   50    H    THR   8           H        THR   8   0.316  -4.450   1.286
   51    HA   THR   8           HA       THR   8   1.792  -6.154   1.781
   52    HB   THR   8           HB       THR   8   0.679  -8.448   1.452
   53    HG1  THR   8           HG1      THR   8  -0.771  -8.589  -0.066
   54   1HG2  THR   8          1HG2      THR   8  -1.344  -6.249   1.962
   55   2HG2  THR   8          2HG2      THR   8  -0.117  -6.686   3.151
   56   3HG2  THR   8          3HG2      THR   8  -1.327  -7.875   2.657
   57    H    VAL   9           H        VAL   9   2.493  -4.979  -0.582
   58    HA   VAL   9           HA       VAL   9   4.129  -7.176  -1.670
   59    HB   VAL   9           HB       VAL   9   2.361  -5.302  -3.337
   60   1HG1  VAL   9          1HG1      VAL   9   4.519  -5.297  -4.490
   61   2HG1  VAL   9          2HG1      VAL   9   3.476  -6.395  -5.368
   62   3HG1  VAL   9          3HG1      VAL   9   4.696  -7.032  -4.278
   63   1HG2  VAL   9          1HG2      VAL   9   1.203  -7.347  -2.711
   64   2HG2  VAL   9          2HG2      VAL   9   2.608  -8.332  -3.062
   65   3HG2  VAL   9          3HG2      VAL   9   1.707  -7.590  -4.369
   66    H    THR  10           H        THR  10   3.458  -3.781  -2.325
   67    HA   THR  10           HA       THR  10   6.350  -3.106  -2.358
   68    HB   THR  10           HB       THR  10   5.655  -0.933  -3.190
   69    HG1  THR  10           HG1      THR  10   3.914  -0.122  -2.383
   70   1HG2  THR  10          1HG2      THR  10   3.800  -1.464  -4.898
   71   2HG2  THR  10          2HG2      THR  10   3.677  -3.063  -4.207
   72   3HG2  THR  10          3HG2      THR  10   5.166  -2.559  -4.990
   73    H    ALA  11           H        ALA  11   3.652  -3.182  -0.262
   74    HA   ALA  11           HA       ALA  11   4.221  -1.188   1.602
   75   1HB   ALA  11          1HB       ALA  11   3.001  -2.983   3.184
   76   2HB   ALA  11          2HB       ALA  11   2.706  -3.783   1.648
   77   3HB   ALA  11          3HB       ALA  11   2.116  -2.152   1.923
   78    H    LEU  12           H        LEU  12   5.758  -4.157   0.959
   79    HA   LEU  12           HA       LEU  12   6.916  -4.848   3.393
   80   1HB   LEU  12          2HB       LEU  12   8.013  -5.159   0.569
   81   2HB   LEU  12          1HB       LEU  12   8.649  -6.014   1.959
   82    HG   LEU  12           HG       LEU  12   5.746  -6.233   1.007
   83   1HD1  LEU  12          1HD1      LEU  12   7.504  -7.184  -0.595
   84   2HD1  LEU  12          2HD1      LEU  12   6.348  -8.355   0.014
   85   3HD1  LEU  12          3HD1      LEU  12   7.970  -8.289   0.686
   86   1HD2  LEU  12          1HD2      LEU  12   5.844  -6.800   3.351
   87   2HD2  LEU  12          2HD2      LEU  12   7.356  -7.673   3.158
   88   3HD2  LEU  12          3HD2      LEU  12   5.867  -8.332   2.503
   89    H    LEU  13           H        LEU  13   7.893  -2.441   1.038
   90    HA   LEU  13           HA       LEU  13  10.345  -1.869   2.431
   91   1HB   LEU  13          2HB       LEU  13  10.968  -0.602   0.552
   92   2HB   LEU  13          1HB       LEU  13  10.041  -1.916  -0.113
   93    HG   LEU  13           HG       LEU  13   8.128   0.098   0.435
   94   1HD1  LEU  13          1HD1      LEU  13   9.019   2.109  -0.685
   95   2HD1  LEU  13          2HD1      LEU  13  10.544   1.301  -1.002
   96   3HD1  LEU  13          3HD1      LEU  13  10.091   1.695   0.643
   97   1HD2  LEU  13          1HD2      LEU  13   7.756   0.078  -1.945
   98   2HD2  LEU  13          2HD2      LEU  13   8.352  -1.531  -1.583
   99   3HD2  LEU  13          3HD2      LEU  13   9.426  -0.339  -2.288
  100    H    GLY  14           H        GLY  14   7.190  -1.027   2.741
  101   1HA   GLY  14          2HA       GLY  14   6.661   0.389   4.730
  102   2HA   GLY  14          1HA       GLY  14   7.783   1.575   4.098
  103    H    CYS  15           H        CYS  15   5.872   0.107   1.660
  104    HA   CYS  15           HA       CYS  15   4.480   2.645   1.242
  105   1HB   CYS  15          2HB       CYS  15   5.421   0.747  -0.447
  106   2HB   CYS  15          1HB       CYS  15   3.740   0.294  -0.421
  107    H    SER  16           H        SER  16   3.291   2.785   3.011
  108    HA   SER  16           HA       SER  16   1.260   1.046   3.979
  109   1HB   SER  16          2HB       SER  16   1.523   4.070   4.201
  110   2HB   SER  16          1HB       SER  16   0.454   3.073   5.201
  111    HG   SER  16           HG       SER  16   3.264   2.753   4.907
  112    H    CYS  17           H        CYS  17  -0.641   0.570   3.189
  113    HA   CYS  17           HA       CYS  17  -1.638   1.611   0.725
  114   1HB   CYS  17          2HB       CYS  17  -2.210  -0.622   1.393
  115   2HB   CYS  17          1HB       CYS  17  -2.951  -0.064   2.873
  116    H    SER  18           H        SER  18  -1.884   3.803   0.822
  117    HA   SER  18           HA       SER  18  -4.034   4.911   2.590
  118   1HB   SER  18          2HB       SER  18  -2.897   7.052   2.438
  119   2HB   SER  18          1HB       SER  18  -1.566   5.902   2.596
  120    HG   SER  18           HG       SER  18  -2.535   7.225   0.326
  121    H    ASN  19           H        ASN  19  -5.762   5.842   1.592
  122    HA   ASN  19           HA       ASN  19  -7.408   6.066  -0.026
  123   1HB   ASN  19          2HB       ASN  19  -6.819   7.597  -1.818
  124   2HB   ASN  19          1HB       ASN  19  -5.862   8.067  -0.432
  125   1HD2  ASN  19          1HD2      ASN  19  -3.554   7.898  -0.594
  126   2HD2  ASN  19          2HD2      ASN  19  -2.774   7.527  -2.055
  127    H    ARG  20           H        ARG  20  -6.297   3.602   0.146
  128    HA   ARG  20           HA       ARG  20  -6.196   1.516  -0.828
  129   1HB   ARG  20          2HB       ARG  20  -8.212   3.059  -2.461
  130   2HB   ARG  20          1HB       ARG  20  -7.737   1.495  -3.075
  131   1HG   ARG  20          2HG       ARG  20  -8.549   0.332  -1.179
  132   2HG   ARG  20          1HG       ARG  20  -8.520   1.725  -0.148
  133   1HD   ARG  20          2HD       ARG  20 -10.359   2.758  -1.608
  134   2HD   ARG  20          1HD       ARG  20 -10.405   1.238  -2.497
  135    HE   ARG  20           HE       ARG  20 -10.711   0.986   0.419
  136   1HH1  ARG  20          2HH1      ARG  20 -12.284   1.318  -2.659
  137   2HH1  ARG  20          1HH1      ARG  20 -13.780   0.665  -2.083
  138   1HH2  ARG  20          1HH2      ARG  20 -12.593   0.163   1.157
  139   2HH2  ARG  20          2HH2      ARG  20 -13.960   0.004   0.106
  140    H    VAL  21           H        VAL  21  -4.217   3.322  -1.446
  141    HA   VAL  21           HA       VAL  21  -3.001   2.075  -3.865
  142    HB   VAL  21           HB       VAL  21  -3.049   5.053  -3.162
  143   1HG1  VAL  21          1HG1      VAL  21  -1.277   3.557  -5.147
  144   2HG1  VAL  21          2HG1      VAL  21  -0.755   4.603  -3.837
  145   3HG1  VAL  21          3HG1      VAL  21  -1.551   5.289  -5.237
  146   1HG2  VAL  21          1HG2      VAL  21  -4.976   4.220  -4.504
  147   2HG2  VAL  21          2HG2      VAL  21  -3.867   3.503  -5.662
  148   3HG2  VAL  21          3HG2      VAL  21  -3.952   5.249  -5.488
  149    H    CYS  22           H        CYS  22  -0.862   1.489  -3.537
  150    HA   CYS  22           HA       CYS  22   0.132   1.354  -0.841
  151   1HB   CYS  22          2HB       CYS  22   1.836   1.209  -3.336
  152   2HB   CYS  22          1HB       CYS  22   2.105   0.473  -1.779
  153    H    TYR  23           H        TYR  23   1.119   2.929   0.301
  154    HA   TYR  23           HA       TYR  23   2.495   5.143  -1.131
  155   1HB   TYR  23          2HB       TYR  23   0.008   5.296   0.309
  156   2HB   TYR  23          1HB       TYR  23   1.172   6.321   1.120
  157    HD1  TYR  23           HD1      TYR  23  -0.851   5.880  -1.852
  158    HD2  TYR  23           HD2      TYR  23   2.409   8.065  -0.198
  159    HE1  TYR  23           HE1      TYR  23  -1.085   7.553  -3.610
  160    HE2  TYR  23           HE2      TYR  23   2.180   9.742  -1.952
  161    HH   TYR  23           HH       TYR  23   0.968   9.447  -4.632
  162    H    ASN  24           H        ASN  24   4.465   5.480  -0.498
  163    HA   ASN  24           HA       ASN  24   5.202   5.127   2.393
  164   1HB   ASN  24          2HB       ASN  24   6.197   3.416   0.548
  165   2HB   ASN  24          1HB       ASN  24   7.234   4.745   0.122
  166   1HD2  ASN  24          1HD2      ASN  24   8.261   2.436   1.085
  167   2HD2  ASN  24          2HD2      ASN  24   8.973   2.753   2.589
  168    H    GLY  25           H        GLY  25   4.136   7.369   1.693
  169   1HA   GLY  25          2HA       GLY  25   4.619   9.636   2.076
  170   2HA   GLY  25          1HA       GLY  25   6.295   9.297   1.610
  171    H    ILE  26           H        ILE  26   5.948   7.861  -0.612
  172    HA   ILE  26           HA       ILE  26   4.416   9.375  -2.622
  173    HB   ILE  26           HB       ILE  26   6.614   8.629  -4.026
  174   1HG1  ILE  26          2HG1      ILE  26   8.682   9.297  -2.659
  175   2HG1  ILE  26          1HG1      ILE  26   7.727   9.092  -1.214
  176   1HG2  ILE  26          1HG2      ILE  26   6.409  11.150  -2.346
  177   2HG2  ILE  26          2HG2      ILE  26   5.665  10.894  -3.919
  178   3HG2  ILE  26          3HG2      ILE  26   7.415  10.974  -3.779
  179   1HD1  ILE  26          1HD1      ILE  26   7.625   6.755  -1.485
  180   2HD1  ILE  26          2HD1      ILE  26   9.191   7.096  -2.190
  181   3HD1  ILE  26          3HD1      ILE  26   7.805   6.836  -3.231
  182    HA   PRO  27           HA       PRO  27   2.938   5.397  -3.323
  183   1HB   PRO  27          2HB       PRO  27   2.531   5.291  -6.046
  184   2HB   PRO  27          1HB       PRO  27   1.466   6.087  -4.917
  185   1HG   PRO  27          2HG       PRO  27   3.370   7.229  -6.700
  186   2HG   PRO  27          1HG       PRO  27   1.894   7.935  -6.083
  187   1HD   PRO  27          2HD       PRO  27   4.394   8.692  -5.188
  188   2HD   PRO  27          1HD       PRO  27   2.919   8.838  -4.214
  189    H    CYS  28           H        CYS  28   3.164   3.392  -4.713
  190    HA   CYS  28           HA       CYS  28   5.882   2.870  -5.785
  191   1HB   CYS  28          2HB       CYS  28   4.771   0.952  -3.734
  192   2HB   CYS  28          1HB       CYS  28   6.430   1.160  -4.211
  193    H    ALA  29           H        ALA  29   3.147   3.069  -6.732
  194    HA   ALA  29           HA       ALA  29   1.790   2.096  -8.335
  195   1HB   ALA  29          1HB       ALA  29   3.619  -0.323  -8.525
  196   2HB   ALA  29          2HB       ALA  29   4.190   1.234  -9.106
  197   3HB   ALA  29          3HB       ALA  29   2.751   0.510  -9.801
  198    H    GLU  30           H        GLU  30   0.654  -0.064  -8.824
  199    HA   GLU  30           HA       GLU  30  -0.789  -1.748  -8.183
  200   1HB   GLU  30          2HB       GLU  30   1.323  -2.760  -7.174
  201   2HB   GLU  30          1HB       GLU  30   0.902  -2.014  -5.645
  202   1HG   GLU  30          2HG       GLU  30  -1.391  -3.240  -5.871
  203   2HG   GLU  30          1HG       GLU  30  -0.613  -4.182  -7.130
  Start of MODEL    7
    1    H    SER   1           H        SER   1  -2.903  -1.580  -7.008
    2    HA   SER   1           HA       SER   1  -3.288   0.452  -4.851
    3   1HB   SER   1          2HB       SER   1  -5.037  -0.433  -7.164
    4   2HB   SER   1          1HB       SER   1  -5.789   0.249  -5.712
    5    HG   SER   1           HG       SER   1  -4.451   2.028  -5.888
    6    H    CYS   2           H        CYS   2  -4.582   0.013  -3.179
    7    HA   CYS   2           HA       CYS   2  -4.921  -2.834  -2.434
    8   1HB   CYS   2          2HB       CYS   2  -5.157  -0.603  -0.446
    9   2HB   CYS   2          1HB       CYS   2  -4.441  -2.165  -0.249
   10    H    VAL   3           H        VAL   3  -6.712  -1.634  -4.120
   11    HA   VAL   3           HA       VAL   3  -9.000  -0.392  -3.625
   12    HB   VAL   3           HB       VAL   3  -9.052  -3.221  -4.735
   13   1HG1  VAL   3          1HG1      VAL   3 -11.309  -2.169  -4.371
   14   2HG1  VAL   3          2HG1      VAL   3 -10.956  -2.350  -6.077
   15   3HG1  VAL   3          3HG1      VAL   3 -10.804  -0.777  -5.310
   16   1HG2  VAL   3          1HG2      VAL   3  -8.719  -1.843  -6.909
   17   2HG2  VAL   3          2HG2      VAL   3  -7.320  -2.118  -5.873
   18   3HG2  VAL   3          3HG2      VAL   3  -8.147  -0.565  -5.837
   19    H    TYR   4           H        TYR   4  -8.726  -3.742  -2.612
   20    HA   TYR   4           HA       TYR   4 -10.756  -3.242  -0.464
   21   1HB   TYR   4          2HB       TYR   4 -10.507  -5.424  -2.549
   22   2HB   TYR   4          1HB       TYR   4 -11.023  -5.882  -0.942
   23    HD1  TYR   4           HD1      TYR   4 -13.008  -4.516   0.088
   24    HD2  TYR   4           HD2      TYR   4 -12.084  -4.516  -4.072
   25    HE1  TYR   4           HE1      TYR   4 -15.268  -3.719  -0.418
   26    HE2  TYR   4           HE2      TYR   4 -14.344  -3.720  -4.571
   27    HH   TYR   4           HH       TYR   4 -16.375  -2.409  -2.314
   28    H    ILE   5           H        ILE   5  -8.384  -5.455  -1.716
   29    HA   ILE   5           HA       ILE   5  -7.426  -6.400   0.752
   30    HB   ILE   5           HB       ILE   5  -5.477  -7.188  -0.773
   31   1HG1  ILE   5          2HG1      ILE   5  -7.267  -6.435  -3.092
   32   2HG1  ILE   5          1HG1      ILE   5  -6.118  -5.263  -2.490
   33   1HG2  ILE   5          1HG2      ILE   5  -8.320  -7.954  -1.567
   34   2HG2  ILE   5          2HG2      ILE   5  -7.478  -8.579  -0.157
   35   3HG2  ILE   5          3HG2      ILE   5  -6.887  -8.955  -1.767
   36   1HD1  ILE   5          1HD1      ILE   5  -4.262  -6.873  -2.817
   37   2HD1  ILE   5          2HD1      ILE   5  -5.126  -6.583  -4.318
   38   3HD1  ILE   5          3HD1      ILE   5  -5.403  -8.067  -3.421
   39    HA   PRO   6           HA       PRO   6  -4.177  -3.241   1.542
   40   1HB   PRO   6          2HB       PRO   6  -2.215  -5.106   2.426
   41   2HB   PRO   6          1HB       PRO   6  -3.291  -4.137   3.415
   42   1HG   PRO   6          2HG       PRO   6  -3.464  -6.988   2.732
   43   2HG   PRO   6          1HG       PRO   6  -4.218  -6.116   4.063
   44   1HD   PRO   6          2HD       PRO   6  -5.569  -7.039   1.741
   45   2HD   PRO   6          1HD       PRO   6  -6.210  -5.799   2.831
   46    H    CYS   7           H        CYS   7  -1.608  -3.355   1.063
   47    HA   CYS   7           HA       CYS   7  -1.441  -3.626  -1.843
   48   1HB   CYS   7          2HB       CYS   7  -0.359  -1.765  -0.525
   49   2HB   CYS   7          1HB       CYS   7   0.773  -2.925   0.107
   50    H    THR   8           H        THR   8   0.270  -4.982   0.890
   51    HA   THR   8           HA       THR   8   1.726  -6.764   1.144
   52    HB   THR   8           HB       THR   8   0.571  -8.969   0.596
   53    HG1  THR   8           HG1      THR   8  -0.166  -8.106  -1.466
   54   1HG2  THR   8          1HG2      THR   8  -1.508  -6.880   1.270
   55   2HG2  THR   8          2HG2      THR   8  -0.240  -7.289   2.424
   56   3HG2  THR   8          3HG2      THR   8  -1.378  -8.531   1.893
   57    H    VAL   9           H        VAL   9   2.385  -5.285  -1.062
   58    HA   VAL   9           HA       VAL   9   3.961  -7.322  -2.475
   59    HB   VAL   9           HB       VAL   9   2.082  -5.335  -3.824
   60   1HG1  VAL   9          1HG1      VAL   9   4.134  -5.070  -5.103
   61   2HG1  VAL   9          2HG1      VAL   9   3.107  -6.135  -6.038
   62   3HG1  VAL   9          3HG1      VAL   9   4.436  -6.799  -5.103
   63   1HG2  VAL   9          1HG2      VAL   9   2.429  -8.363  -3.832
   64   2HG2  VAL   9          2HG2      VAL   9   1.569  -7.579  -5.138
   65   3HG2  VAL   9          3HG2      VAL   9   0.975  -7.441  -3.497
   66    H    THR  10           H        THR  10   3.326  -3.966  -1.831
   67    HA   THR  10           HA       THR  10   6.231  -3.288  -2.212
   68    HB   THR  10           HB       THR  10   5.622  -1.133  -3.061
   69    HG1  THR  10           HG1      THR  10   3.388  -1.690  -1.543
   70   1HG2  THR  10          1HG2      THR  10   4.921  -2.756  -4.828
   71   2HG2  THR  10          2HG2      THR  10   3.719  -1.483  -4.726
   72   3HG2  THR  10          3HG2      THR  10   3.394  -3.041  -4.006
   73    H    ALA  11           H        ALA  11   3.599  -3.479  -0.069
   74    HA   ALA  11           HA       ALA  11   4.084  -1.467   1.780
   75   1HB   ALA  11          1HB       ALA  11   3.094  -4.305   2.231
   76   2HB   ALA  11          2HB       ALA  11   2.107  -2.888   1.904
   77   3HB   ALA  11          3HB       ALA  11   2.968  -3.020   3.425
   78    H    LEU  12           H        LEU  12   5.993  -4.204   1.077
   79    HA   LEU  12           HA       LEU  12   7.281  -4.782   3.465
   80   1HB   LEU  12          2HB       LEU  12   9.117  -5.686   2.029
   81   2HB   LEU  12          1HB       LEU  12   7.527  -6.189   1.516
   82    HG   LEU  12           HG       LEU  12   7.857  -3.853   0.010
   83   1HD1  LEU  12          1HD1      LEU  12  10.567  -5.249   0.016
   84   2HD1  LEU  12          2HD1      LEU  12  10.271  -3.730   0.839
   85   3HD1  LEU  12          3HD1      LEU  12  10.107  -3.827  -0.903
   86   1HD2  LEU  12          1HD2      LEU  12   8.193  -5.346  -1.886
   87   2HD2  LEU  12          2HD2      LEU  12   7.079  -6.113  -0.764
   88   3HD2  LEU  12          3HD2      LEU  12   8.752  -6.638  -0.834
   89    H    LEU  13           H        LEU  13   7.950  -2.179   1.205
   90    HA   LEU  13           HA       LEU  13  10.337  -1.388   2.605
   91   1HB   LEU  13          2HB       LEU  13  10.620   0.254   0.824
   92   2HB   LEU  13          1HB       LEU  13  10.238  -1.304   0.138
   93    HG   LEU  13           HG       LEU  13   7.723  -0.061   0.601
   94   1HD1  LEU  13          1HD1      LEU  13   9.351   2.067   0.656
   95   2HD1  LEU  13          2HD1      LEU  13   7.808   2.137  -0.176
   96   3HD1  LEU  13          3HD1      LEU  13   9.288   1.890  -1.085
   97   1HD2  LEU  13          1HD2      LEU  13   9.268  -0.256  -2.030
   98   2HD2  LEU  13          2HD2      LEU  13   7.524  -0.147  -1.858
   99   3HD2  LEU  13          3HD2      LEU  13   8.374  -1.585  -1.314
  100    H    GLY  14           H        GLY  14   7.129  -0.950   2.998
  101   1HA   GLY  14          2HA       GLY  14   6.274   0.282   4.919
  102   2HA   GLY  14          1HA       GLY  14   7.439   1.558   4.592
  103    H    CYS  15           H        CYS  15   5.594   0.020   2.045
  104    HA   CYS  15           HA       CYS  15   4.436   2.620   1.328
  105   1HB   CYS  15          2HB       CYS  15   5.364   0.602  -0.190
  106   2HB   CYS  15          1HB       CYS  15   3.686   0.138  -0.166
  107    H    SER  16           H        SER  16   3.218   2.895   3.146
  108    HA   SER  16           HA       SER  16   1.047   1.352   4.085
  109   1HB   SER  16          2HB       SER  16   1.433   4.375   4.160
  110   2HB   SER  16          1HB       SER  16   0.314   3.461   5.187
  111    HG   SER  16           HG       SER  16   1.986   3.089   6.392
  112    H    CYS  17           H        CYS  17  -0.807   0.908   3.251
  113    HA   CYS  17           HA       CYS  17  -1.726   1.869   0.720
  114   1HB   CYS  17          2HB       CYS  17  -2.901   0.147   2.876
  115   2HB   CYS  17          1HB       CYS  17  -3.868   0.601   1.502
  116    H    SER  18           H        SER  18  -1.853   4.121   0.933
  117    HA   SER  18           HA       SER  18  -4.045   5.251   2.605
  118   1HB   SER  18          2HB       SER  18  -3.049   7.460   1.960
  119   2HB   SER  18          1HB       SER  18  -1.748   6.402   2.524
  120    HG   SER  18           HG       SER  18  -2.542   6.921  -0.142
  121    H    ASN  19           H        ASN  19  -5.938   5.789   1.657
  122    HA   ASN  19           HA       ASN  19  -7.662   5.735   0.100
  123   1HB   ASN  19          2HB       ASN  19  -7.237   7.211  -1.898
  124   2HB   ASN  19          1HB       ASN  19  -6.780   7.976  -0.391
  125   1HD2  ASN  19          1HD2      ASN  19  -4.508   8.371  -0.022
  126   2HD2  ASN  19          2HD2      ASN  19  -3.363   8.242  -1.269
  127    H    ARG  20           H        ARG  20  -6.280   3.481   0.200
  128    HA   ARG  20           HA       ARG  20  -5.887   1.440  -0.821
  129   1HB   ARG  20          2HB       ARG  20  -7.972   2.720  -2.625
  130   2HB   ARG  20          1HB       ARG  20  -7.326   1.155  -3.044
  131   1HG   ARG  20          2HG       ARG  20  -8.556   0.092  -1.491
  132   2HG   ARG  20          1HG       ARG  20  -8.038   1.119  -0.200
  133   1HD   ARG  20          2HD       ARG  20 -10.139   1.857  -2.297
  134   2HD   ARG  20          1HD       ARG  20 -10.543   1.166  -0.733
  135    HE   ARG  20           HE       ARG  20  -9.736   3.919  -1.247
  136   1HH1  ARG  20          2HH1      ARG  20  -9.733   1.358   1.089
  137   2HH1  ARG  20          1HH1      ARG  20  -9.629   2.438   2.439
  138   1HH2  ARG  20          1HH2      ARG  20  -9.604   5.300   0.445
  139   2HH2  ARG  20          2HH2      ARG  20  -9.552   4.700   2.071
  140    H    VAL  21           H        VAL  21  -4.024   3.374  -1.285
  141    HA   VAL  21           HA       VAL  21  -2.761   2.409  -3.811
  142    HB   VAL  21           HB       VAL  21  -2.949   5.314  -2.853
  143   1HG1  VAL  21          1HG1      VAL  21  -1.425   5.838  -4.800
  144   2HG1  VAL  21          2HG1      VAL  21  -1.174   4.117  -5.043
  145   3HG1  VAL  21          3HG1      VAL  21  -0.607   4.891  -3.575
  146   1HG2  VAL  21          1HG2      VAL  21  -3.861   5.667  -5.154
  147   2HG2  VAL  21          2HG2      VAL  21  -4.828   4.488  -4.286
  148   3HG2  VAL  21          3HG2      VAL  21  -3.670   3.955  -5.492
  149    H    CYS  22           H        CYS  22  -0.823   1.533  -3.314
  150    HA   CYS  22           HA       CYS  22   0.233   1.498  -0.655
  151   1HB   CYS  22          2HB       CYS  22   2.001   1.132  -3.089
  152   2HB   CYS  22          1HB       CYS  22   2.018   0.301  -1.558
  153    H    TYR  23           H        TYR  23   1.198   3.141   0.377
  154    HA   TYR  23           HA       TYR  23   2.699   5.200  -1.154
  155   1HB   TYR  23          2HB       TYR  23   0.166   5.545   0.075
  156   2HB   TYR  23          1HB       TYR  23   1.292   6.476   1.034
  157    HD1  TYR  23           HD1      TYR  23  -0.615   6.403  -1.967
  158    HD2  TYR  23           HD2      TYR  23   2.919   8.045  -0.252
  159    HE1  TYR  23           HE1      TYR  23  -0.604   8.147  -3.674
  160    HE2  TYR  23           HE2      TYR  23   2.930   9.795  -1.953
  161    HH   TYR  23           HH       TYR  23   2.081  10.368  -4.020
  162    H    ASN  24           H        ASN  24   4.512   5.926  -0.398
  163    HA   ASN  24           HA       ASN  24   5.185   5.767   2.491
  164   1HB   ASN  24          2HB       ASN  24   6.083   3.672   1.090
  165   2HB   ASN  24          1HB       ASN  24   7.239   4.786   0.418
  166   1HD2  ASN  24          1HD2      ASN  24   8.067   2.663   1.872
  167   2HD2  ASN  24          2HD2      ASN  24   8.773   3.234   3.300
  168    H    GLY  25           H        GLY  25   4.436   7.986   1.595
  169   1HA   GLY  25          2HA       GLY  25   5.151  10.207   1.601
  170   2HA   GLY  25          1HA       GLY  25   6.781   9.626   1.273
  171    H    ILE  26           H        ILE  26   6.007   7.916  -0.806
  172    HA   ILE  26           HA       ILE  26   4.801   9.409  -3.009
  173    HB   ILE  26           HB       ILE  26   7.457   9.807  -2.691
  174   1HG1  ILE  26          2HG1      ILE  26   6.726   9.041  -5.517
  175   2HG1  ILE  26          1HG1      ILE  26   5.822  10.331  -4.746
  176   1HG2  ILE  26          1HG2      ILE  26   8.875   8.191  -3.823
  177   2HG2  ILE  26          2HG2      ILE  26   7.493   7.201  -4.262
  178   3HG2  ILE  26          3HG2      ILE  26   7.973   7.346  -2.577
  179   1HD1  ILE  26          1HD1      ILE  26   7.751  11.242  -5.976
  180   2HD1  ILE  26          2HD1      ILE  26   8.848  10.242  -5.038
  181   3HD1  ILE  26          3HD1      ILE  26   7.943  11.529  -4.255
  182    HA   PRO  27           HA       PRO  27   3.185   5.429  -3.278
  183   1HB   PRO  27          2HB       PRO  27   2.616   5.122  -5.962
  184   2HB   PRO  27          1HB       PRO  27   1.639   6.013  -4.828
  185   1HG   PRO  27          2HG       PRO  27   3.387   6.991  -6.840
  186   2HG   PRO  27          1HG       PRO  27   2.026   7.788  -6.089
  187   1HD   PRO  27          2HD       PRO  27   4.672   8.412  -5.555
  188   2HD   PRO  27          1HD       PRO  27   3.322   8.802  -4.475
  189    H    CYS  28           H        CYS  28   3.255   3.297  -4.584
  190    HA   CYS  28           HA       CYS  28   5.965   2.641  -5.640
  191   1HB   CYS  28          2HB       CYS  28   4.715   0.787  -3.623
  192   2HB   CYS  28          1HB       CYS  28   6.398   0.944  -4.046
  193    H    ALA  29           H        ALA  29   3.222   2.931  -6.628
  194    HA   ALA  29           HA       ALA  29   1.898   2.005  -8.283
  195   1HB   ALA  29          1HB       ALA  29   2.837   0.380  -9.716
  196   2HB   ALA  29          2HB       ALA  29   3.616  -0.495  -8.409
  197   3HB   ALA  29          3HB       ALA  29   4.286   1.029  -8.971
  198    H    GLU  30           H        GLU  30   0.509   0.132  -8.741
  199    HA   GLU  30           HA       GLU  30  -1.056  -1.465  -8.161
  200   1HB   GLU  30          2HB       GLU  30   1.090  -2.640  -7.216
  201   2HB   GLU  30          1HB       GLU  30   0.535  -2.103  -5.644
  202   1HG   GLU  30          2HG       GLU  30  -1.795  -3.223  -6.602
  203   2HG   GLU  30          1HG       GLU  30  -0.613  -4.190  -7.459
  Start of MODEL    8
    1    H    SER   1           H        SER   1  -2.709  -1.380  -7.666
    2    HA   SER   1           HA       SER   1  -3.354   0.487  -5.474
    3   1HB   SER   1          2HB       SER   1  -5.666   0.467  -6.556
    4   2HB   SER   1          1HB       SER   1  -4.396   0.887  -7.714
    5    HG   SER   1           HG       SER   1  -5.667  -1.599  -7.303
    6    H    CYS   2           H        CYS   2  -4.191  -0.076  -3.677
    7    HA   CYS   2           HA       CYS   2  -4.966  -2.896  -3.131
    8   1HB   CYS   2          2HB       CYS   2  -4.441  -2.189  -0.767
    9   2HB   CYS   2          1HB       CYS   2  -3.098  -2.064  -1.865
   10    H    VAL   3           H        VAL   3  -6.793  -1.896  -4.439
   11    HA   VAL   3           HA       VAL   3  -8.742  -0.129  -3.664
   12    HB   VAL   3           HB       VAL   3  -9.327  -2.779  -5.005
   13   1HG1  VAL   3          1HG1      VAL   3 -11.325  -1.385  -4.458
   14   2HG1  VAL   3          2HG1      VAL   3 -11.052  -1.428  -6.189
   15   3HG1  VAL   3          3HG1      VAL   3 -10.589  -0.007  -5.260
   16   1HG2  VAL   3          1HG2      VAL   3  -7.462  -1.937  -6.159
   17   2HG2  VAL   3          2HG2      VAL   3  -7.977  -0.264  -5.973
   18   3HG2  VAL   3          3HG2      VAL   3  -8.827  -1.334  -7.090
   19    H    TYR   4           H        TYR   4  -8.718  -3.540  -2.870
   20    HA   TYR   4           HA       TYR   4 -10.797  -3.019  -0.755
   21   1HB   TYR   4          2HB       TYR   4 -10.328  -5.296  -2.694
   22   2HB   TYR   4          1HB       TYR   4 -10.987  -5.639  -1.106
   23    HD1  TYR   4           HD1      TYR   4 -13.243  -4.880  -0.500
   24    HD2  TYR   4           HD2      TYR   4 -11.559  -3.812  -4.264
   25    HE1  TYR   4           HE1      TYR   4 -15.435  -4.097  -1.262
   26    HE2  TYR   4           HE2      TYR   4 -13.751  -3.032  -5.023
   27    HH   TYR   4           HH       TYR   4 -16.299  -2.435  -2.982
   28    H    ILE   5           H        ILE   5  -8.143  -4.995  -1.780
   29    HA   ILE   5           HA       ILE   5  -7.377  -5.988   0.724
   30    HB   ILE   5           HB       ILE   5  -5.111  -6.311  -0.619
   31   1HG1  ILE   5          2HG1      ILE   5  -6.843  -5.858  -3.052
   32   2HG1  ILE   5          1HG1      ILE   5  -6.037  -4.489  -2.326
   33   1HG2  ILE   5          1HG2      ILE   5  -6.099  -8.258  -1.808
   34   2HG2  ILE   5          2HG2      ILE   5  -7.708  -7.590  -1.575
   35   3HG2  ILE   5          3HG2      ILE   5  -6.763  -8.119  -0.191
   36   1HD1  ILE   5          1HD1      ILE   5  -4.657  -7.026  -3.288
   37   2HD1  ILE   5          2HD1      ILE   5  -3.841  -5.659  -2.545
   38   3HD1  ILE   5          3HD1      ILE   5  -4.632  -5.469  -4.099
   39    HA   PRO   6           HA       PRO   6  -4.341  -2.648   1.826
   40   1HB   PRO   6          2HB       PRO   6  -2.428  -4.296   3.015
   41   2HB   PRO   6          1HB       PRO   6  -3.781  -3.556   3.858
   42   1HG   PRO   6          2HG       PRO   6  -3.450  -6.356   2.920
   43   2HG   PRO   6          1HG       PRO   6  -4.363  -5.744   4.298
   44   1HD   PRO   6          2HD       PRO   6  -5.515  -6.552   1.841
   45   2HD   PRO   6          1HD       PRO   6  -6.314  -5.476   3.003
   46    H    CYS   7           H        CYS   7  -1.807  -2.636   1.480
   47    HA   CYS   7           HA       CYS   7  -1.400  -3.112  -1.357
   48   1HB   CYS   7          2HB       CYS   7  -0.391  -1.194  -0.235
   49   2HB   CYS   7          1HB       CYS   7   0.505  -2.240   0.836
   50    H    THR   8           H        THR   8   0.448  -4.245   1.425
   51    HA   THR   8           HA       THR   8   1.851  -6.060   1.712
   52    HB   THR   8           HB       THR   8   0.456  -8.313   1.204
   53    HG1  THR   8           HG1      THR   8  -1.476  -6.252   0.922
   54   1HG2  THR   8          1HG2      THR   8  -0.580  -6.018   2.909
   55   2HG2  THR   8          2HG2      THR   8   0.662  -7.166   3.396
   56   3HG2  THR   8          3HG2      THR   8  -0.992  -7.724   3.131
   57    H    VAL   9           H        VAL   9   2.521  -4.870  -0.520
   58    HA   VAL   9           HA       VAL   9   3.774  -7.082  -2.017
   59    HB   VAL   9           HB       VAL   9   2.214  -4.779  -3.338
   60   1HG1  VAL   9          1HG1      VAL   9   4.049  -6.842  -4.633
   61   2HG1  VAL   9          2HG1      VAL   9   4.298  -5.105  -4.600
   62   3HG1  VAL   9          3HG1      VAL   9   2.972  -5.779  -5.524
   63   1HG2  VAL   9          1HG2      VAL   9   1.907  -7.807  -3.645
   64   2HG2  VAL   9          2HG2      VAL   9   0.914  -6.590  -4.429
   65   3HG2  VAL   9          3HG2      VAL   9   0.834  -6.804  -2.696
   66    H    THR  10           H        THR  10   3.441  -3.592  -2.355
   67    HA   THR  10           HA       THR  10   6.384  -3.208  -2.350
   68    HB   THR  10           HB       THR  10   5.773  -0.814  -2.847
   69    HG1  THR  10           HG1      THR  10   3.707  -1.221  -1.663
   70   1HG2  THR  10          1HG2      THR  10   3.968  -1.960  -4.832
   71   2HG2  THR  10          2HG2      THR  10   5.245  -3.131  -4.558
   72   3HG2  THR  10          3HG2      THR  10   5.649  -1.507  -5.060
   73    H    ALA  11           H        ALA  11   3.877  -3.382  -0.137
   74    HA   ALA  11           HA       ALA  11   4.402  -1.369   1.713
   75   1HB   ALA  11          1HB       ALA  11   3.257  -2.881   3.338
   76   2HB   ALA  11          2HB       ALA  11   3.443  -4.212   2.205
   77   3HB   ALA  11          3HB       ALA  11   2.418  -2.846   1.796
   78    H    LEU  12           H        LEU  12   6.205  -4.106   0.867
   79    HA   LEU  12           HA       LEU  12   7.605  -4.818   3.140
   80   1HB   LEU  12          2HB       LEU  12   8.325  -4.793   0.202
   81   2HB   LEU  12          1HB       LEU  12   9.478  -5.392   1.374
   82    HG   LEU  12           HG       LEU  12   6.618  -6.453   1.254
   83   1HD1  LEU  12          1HD1      LEU  12   7.476  -8.324  -0.100
   84   2HD1  LEU  12          2HD1      LEU  12   9.086  -7.621  -0.109
   85   3HD1  LEU  12          3HD1      LEU  12   7.771  -6.819  -0.950
   86   1HD2  LEU  12          1HD2      LEU  12   7.774  -8.450   2.360
   87   2HD2  LEU  12          2HD2      LEU  12   7.761  -7.002   3.345
   88   3HD2  LEU  12          3HD2      LEU  12   9.223  -7.467   2.491
   89    H    LEU  13           H        LEU  13   8.275  -2.142   0.946
   90    HA   LEU  13           HA       LEU  13  10.644  -1.424   2.421
   91   1HB   LEU  13          2HB       LEU  13  10.927   0.352   0.728
   92   2HB   LEU  13          1HB       LEU  13  10.736  -1.220   0.003
   93    HG   LEU  13           HG       LEU  13   8.133   0.046   0.364
   94   1HD1  LEU  13          1HD1      LEU  13   9.814   2.086  -0.003
   95   2HD1  LEU  13          2HD1      LEU  13   8.321   2.023  -0.921
   96   3HD1  LEU  13          3HD1      LEU  13   9.832   1.533  -1.663
   97   1HD2  LEU  13          1HD2      LEU  13   8.671  -1.852  -1.216
   98   2HD2  LEU  13          2HD2      LEU  13   9.654  -0.754  -2.170
   99   3HD2  LEU  13          3HD2      LEU  13   7.922  -0.499  -2.050
  100    H    GLY  14           H        GLY  14   7.378  -0.829   2.594
  101   1HA   GLY  14          2HA       GLY  14   6.702   0.380   4.704
  102   2HA   GLY  14          1HA       GLY  14   7.720   1.700   4.160
  103    H    CYS  15           H        CYS  15   5.942   0.114   1.665
  104    HA   CYS  15           HA       CYS  15   4.393   2.561   1.255
  105   1HB   CYS  15          2HB       CYS  15   5.405   0.644  -0.426
  106   2HB   CYS  15          1HB       CYS  15   3.715   0.223  -0.430
  107    H    SER  16           H        SER  16   3.145   2.741   2.902
  108    HA   SER  16           HA       SER  16   1.202   0.850   3.888
  109   1HB   SER  16          2HB       SER  16   1.422   3.871   4.236
  110   2HB   SER  16          1HB       SER  16   0.358   2.820   5.187
  111    HG   SER  16           HG       SER  16   3.184   2.666   4.937
  112    H    CYS  17           H        CYS  17  -0.731   0.407   3.087
  113    HA   CYS  17           HA       CYS  17  -1.684   1.502   0.639
  114   1HB   CYS  17          2HB       CYS  17  -2.302  -0.723   1.335
  115   2HB   CYS  17          1HB       CYS  17  -3.109  -0.122   2.761
  116    H    SER  18           H        SER  18  -1.804   3.710   0.803
  117    HA   SER  18           HA       SER  18  -3.887   4.922   2.576
  118   1HB   SER  18          2HB       SER  18  -1.781   6.392   0.894
  119   2HB   SER  18          1HB       SER  18  -2.736   7.044   2.231
  120    HG   SER  18           HG       SER  18  -0.709   5.087   2.293
  121    H    ASN  19           H        ASN  19  -5.643   5.809   1.627
  122    HA   ASN  19           HA       ASN  19  -7.338   6.031   0.057
  123   1HB   ASN  19          2HB       ASN  19  -6.772   7.532  -1.808
  124   2HB   ASN  19          1HB       ASN  19  -5.892   8.059  -0.393
  125   1HD2  ASN  19          1HD2      ASN  19  -3.574   7.941  -0.439
  126   2HD2  ASN  19          2HD2      ASN  19  -2.717   7.582  -1.861
  127    H    ARG  20           H        ARG  20  -6.265   3.572   0.202
  128    HA   ARG  20           HA       ARG  20  -6.186   1.487  -0.768
  129   1HB   ARG  20          2HB       ARG  20  -8.207   3.052  -2.359
  130   2HB   ARG  20          1HB       ARG  20  -7.741   1.506  -3.018
  131   1HG   ARG  20          2HG       ARG  20  -8.601   0.292  -1.171
  132   2HG   ARG  20          1HG       ARG  20  -8.477   1.623  -0.071
  133   1HD   ARG  20          2HD       ARG  20 -10.311   2.805  -1.382
  134   2HD   ARG  20          1HD       ARG  20 -10.425   1.371  -2.403
  135    HE   ARG  20           HE       ARG  20 -10.671   0.793   0.452
  136   1HH1  ARG  20          2HH1      ARG  20 -12.334   1.729  -2.443
  137   2HH1  ARG  20          1HH1      ARG  20 -13.863   1.143  -1.884
  138   1HH2  ARG  20          1HH2      ARG  20 -12.596   0.047   1.174
  139   2HH2  ARG  20          2HH2      ARG  20 -14.016   0.178   0.192
  140    H    VAL  21           H        VAL  21  -4.182   3.259  -1.415
  141    HA   VAL  21           HA       VAL  21  -3.017   1.976  -3.842
  142    HB   VAL  21           HB       VAL  21  -3.042   4.961  -3.172
  143   1HG1  VAL  21          1HG1      VAL  21  -1.241   3.435  -5.105
  144   2HG1  VAL  21          2HG1      VAL  21  -0.751   4.535  -3.825
  145   3HG1  VAL  21          3HG1      VAL  21  -1.539   5.160  -5.259
  146   1HG2  VAL  21          1HG2      VAL  21  -3.853   3.377  -5.652
  147   2HG2  VAL  21          2HG2      VAL  21  -3.925   5.128  -5.510
  148   3HG2  VAL  21          3HG2      VAL  21  -4.961   4.123  -4.510
  149    H    CYS  22           H        CYS  22  -0.867   1.365  -3.537
  150    HA   CYS  22           HA       CYS  22   0.156   1.210  -0.860
  151   1HB   CYS  22          2HB       CYS  22   1.678   1.095  -3.477
  152   2HB   CYS  22          1HB       CYS  22   2.270   0.566  -1.928
  153    H    TYR  23           H        TYR  23   1.078   2.788   0.308
  154    HA   TYR  23           HA       TYR  23   2.416   5.049  -1.077
  155   1HB   TYR  23          2HB       TYR  23  -0.112   5.149   0.262
  156   2HB   TYR  23          1HB       TYR  23   1.002   6.135   1.188
  157    HD1  TYR  23           HD1      TYR  23   2.377   7.891  -0.047
  158    HD2  TYR  23           HD2      TYR  23  -0.931   5.889  -1.833
  159    HE1  TYR  23           HE1      TYR  23   2.227   9.646  -1.730
  160    HE2  TYR  23           HE2      TYR  23  -1.085   7.640  -3.520
  161    HH   TYR  23           HH       TYR  23   1.370  10.000  -3.959
  162    H    ASN  24           H        ASN  24   4.403   5.217  -0.483
  163    HA   ASN  24           HA       ASN  24   5.137   4.957   2.419
  164   1HB   ASN  24          2HB       ASN  24   6.177   3.255   0.628
  165   2HB   ASN  24          1HB       ASN  24   7.131   4.614   0.107
  166   1HD2  ASN  24          1HD2      ASN  24   8.330   2.414   1.109
  167   2HD2  ASN  24          2HD2      ASN  24   9.071   2.829   2.574
  168    H    GLY  25           H        GLY  25   4.044   7.213   1.774
  169   1HA   GLY  25          2HA       GLY  25   4.493   9.479   2.137
  170   2HA   GLY  25          1HA       GLY  25   6.184   9.150   1.754
  171    H    ILE  26           H        ILE  26   5.734   7.688  -0.543
  172    HA   ILE  26           HA       ILE  26   4.320   9.302  -2.547
  173    HB   ILE  26           HB       ILE  26   6.917   9.919  -2.159
  174   1HG1  ILE  26          2HG1      ILE  26   6.297   9.371  -5.064
  175   2HG1  ILE  26          1HG1      ILE  26   5.274  10.494  -4.185
  176   1HG2  ILE  26          1HG2      ILE  26   7.232   7.493  -3.968
  177   2HG2  ILE  26          2HG2      ILE  26   7.682   7.530  -2.269
  178   3HG2  ILE  26          3HG2      ILE  26   8.504   8.570  -3.418
  179   1HD1  ILE  26          1HD1      ILE  26   7.246  11.845  -3.564
  180   2HD1  ILE  26          2HD1      ILE  26   7.143  11.665  -5.307
  181   3HD1  ILE  26          3HD1      ILE  26   8.302  10.712  -4.395
  182    HA   PRO  27           HA       PRO  27   2.979   5.320  -3.203
  183   1HB   PRO  27          2HB       PRO  27   2.433   5.178  -5.905
  184   2HB   PRO  27          1HB       PRO  27   1.410   5.940  -4.718
  185   1HG   PRO  27          2HG       PRO  27   3.125   7.138  -6.636
  186   2HG   PRO  27          1HG       PRO  27   1.716   7.812  -5.853
  187   1HD   PRO  27          2HD       PRO  27   4.313   8.544  -5.234
  188   2HD   PRO  27          1HD       PRO  27   2.941   8.768  -4.137
  189    H    CYS  28           H        CYS  28   3.125   3.300  -4.588
  190    HA   CYS  28           HA       CYS  28   5.798   2.764  -5.770
  191   1HB   CYS  28          2HB       CYS  28   4.719   0.857  -3.695
  192   2HB   CYS  28          1HB       CYS  28   6.367   1.026  -4.227
  193    H    ALA  29           H        ALA  29   3.073   3.013  -6.692
  194    HA   ALA  29           HA       ALA  29   1.643   2.029  -8.230
  195   1HB   ALA  29          1HB       ALA  29   3.514  -0.357  -8.472
  196   2HB   ALA  29          2HB       ALA  29   4.009   1.207  -9.096
  197   3HB   ALA  29          3HB       ALA  29   2.568   0.428  -9.721
  198    H    GLU  30           H        GLU  30   0.661  -0.300  -8.715
  199    HA   GLU  30           HA       GLU  30  -0.720  -2.015  -8.016
  200   1HB   GLU  30          2HB       GLU  30   1.378  -2.904  -6.934
  201   2HB   GLU  30          1HB       GLU  30   0.977  -2.056  -5.460
  202   1HG   GLU  30          2HG       GLU  30  -1.211  -3.794  -6.561
  203   2HG   GLU  30          1HG       GLU  30   0.209  -4.639  -5.983
  Start of MODEL    9
    1    H    SER   1           H        SER   1  -2.998  -1.596  -7.089
    2    HA   SER   1           HA       SER   1  -3.493   0.472  -4.997
    3   1HB   SER   1          2HB       SER   1  -5.915   0.326  -5.828
    4   2HB   SER   1          1HB       SER   1  -4.783   0.872  -7.072
    5    HG   SER   1           HG       SER   1  -5.549  -1.820  -6.614
    6    H    CYS   2           H        CYS   2  -4.683   0.017  -3.250
    7    HA   CYS   2           HA       CYS   2  -4.953  -2.829  -2.466
    8   1HB   CYS   2          2HB       CYS   2  -5.172  -0.588  -0.487
    9   2HB   CYS   2          1HB       CYS   2  -4.424  -2.138  -0.304
   10    H    VAL   3           H        VAL   3  -6.793  -1.651  -4.114
   11    HA   VAL   3           HA       VAL   3  -9.086  -0.442  -3.590
   12    HB   VAL   3           HB       VAL   3  -9.137  -3.285  -4.661
   13   1HG1  VAL   3          1HG1      VAL   3 -11.391  -2.212  -4.274
   14   2HG1  VAL   3          2HG1      VAL   3 -11.064  -2.455  -5.977
   15   3HG1  VAL   3          3HG1      VAL   3 -10.895  -0.855  -5.267
   16   1HG2  VAL   3          1HG2      VAL   3  -7.420  -2.169  -5.830
   17   2HG2  VAL   3          2HG2      VAL   3  -8.285  -0.637  -5.831
   18   3HG2  VAL   3          3HG2      VAL   3  -8.833  -1.959  -6.860
   19    H    TYR   4           H        TYR   4  -8.779  -3.787  -2.556
   20    HA   TYR   4           HA       TYR   4 -10.753  -3.266  -0.369
   21   1HB   TYR   4          2HB       TYR   4 -10.516  -5.500  -2.407
   22   2HB   TYR   4          1HB       TYR   4 -11.076  -5.874  -0.794
   23    HD1  TYR   4           HD1      TYR   4 -13.092  -4.525   0.123
   24    HD2  TYR   4           HD2      TYR   4 -11.990  -4.504  -3.991
   25    HE1  TYR   4           HE1      TYR   4 -15.314  -3.687  -0.471
   26    HE2  TYR   4           HE2      TYR   4 -14.213  -3.666  -4.580
   27    HH   TYR   4           HH       TYR   4 -16.299  -2.317  -2.438
   28    H    ILE   5           H        ILE   5  -8.379  -5.456  -1.663
   29    HA   ILE   5           HA       ILE   5  -7.378  -6.392   0.795
   30    HB   ILE   5           HB       ILE   5  -5.470  -7.201  -0.757
   31   1HG1  ILE   5          2HG1      ILE   5  -7.278  -6.489  -3.068
   32   2HG1  ILE   5          1HG1      ILE   5  -6.162  -5.275  -2.482
   33   1HG2  ILE   5          1HG2      ILE   5  -6.950  -8.931  -1.788
   34   2HG2  ILE   5          2HG2      ILE   5  -8.353  -7.936  -1.422
   35   3HG2  ILE   5          3HG2      ILE   5  -7.398  -8.625  -0.118
   36   1HD1  ILE   5          1HD1      ILE   5  -5.377  -8.065  -3.400
   37   2HD1  ILE   5          2HD1      ILE   5  -4.264  -6.855  -2.774
   38   3HD1  ILE   5          3HD1      ILE   5  -5.115  -6.571  -4.283
   39    HA   PRO   6           HA       PRO   6  -4.149  -3.203   1.487
   40   1HB   PRO   6          2HB       PRO   6  -2.180  -4.998   2.451
   41   2HB   PRO   6          1HB       PRO   6  -3.298  -4.041   3.405
   42   1HG   PRO   6          2HG       PRO   6  -3.390  -6.909   2.754
   43   2HG   PRO   6          1HG       PRO   6  -4.165  -6.042   4.076
   44   1HD   PRO   6          2HD       PRO   6  -5.496  -7.017   1.767
   45   2HD   PRO   6          1HD       PRO   6  -6.159  -5.774   2.840
   46    H    CYS   7           H        CYS   7  -1.589  -3.297   1.021
   47    HA   CYS   7           HA       CYS   7  -1.386  -3.709  -1.872
   48   1HB   CYS   7          2HB       CYS   7  -0.358  -1.769  -0.563
   49   2HB   CYS   7          1HB       CYS   7   0.839  -2.888   0.021
   50    H    THR   8           H        THR   8   0.362  -4.879   0.944
   51    HA   THR   8           HA       THR   8   1.858  -6.630   1.262
   52    HB   THR   8           HB       THR   8   0.688  -8.907   0.649
   53    HG1  THR   8           HG1      THR   8  -1.434  -8.550  -0.110
   54   1HG2  THR   8          1HG2      THR   8   0.336  -7.620   2.763
   55   2HG2  THR   8          2HG2      THR   8  -1.133  -8.438   2.220
   56   3HG2  THR   8          3HG2      THR   8  -0.930  -6.700   1.958
   57    H    VAL   9           H        VAL   9   2.468  -5.236  -0.985
   58    HA   VAL   9           HA       VAL   9   4.047  -7.276  -2.399
   59    HB   VAL   9           HB       VAL   9   2.124  -5.299  -3.739
   60   1HG1  VAL   9          1HG1      VAL   9   4.210  -4.990  -4.988
   61   2HG1  VAL   9          2HG1      VAL   9   3.171  -6.015  -5.955
   62   3HG1  VAL   9          3HG1      VAL   9   4.493  -6.722  -5.042
   63   1HG2  VAL   9          1HG2      VAL   9   1.083  -7.438  -3.416
   64   2HG2  VAL   9          2HG2      VAL   9   2.552  -8.314  -3.808
   65   3HG2  VAL   9          3HG2      VAL   9   1.643  -7.518  -5.073
   66    H    THR  10           H        THR  10   3.329  -3.905  -1.841
   67    HA   THR  10           HA       THR  10   6.227  -3.156  -2.142
   68    HB   THR  10           HB       THR  10   5.551  -0.976  -2.880
   69    HG1  THR  10           HG1      THR  10   3.713  -0.180  -2.238
   70   1HG2  THR  10          1HG2      THR  10   3.463  -2.948  -4.006
   71   2HG2  THR  10          2HG2      THR  10   5.028  -2.605  -4.729
   72   3HG2  THR  10          3HG2      THR  10   3.788  -1.364  -4.665
   73    H    ALA  11           H        ALA  11   3.899  -3.856   0.076
   74    HA   ALA  11           HA       ALA  11   4.070  -1.773   1.942
   75   1HB   ALA  11          1HB       ALA  11   3.514  -4.722   2.401
   76   2HB   ALA  11          2HB       ALA  11   2.318  -3.511   1.971
   77   3HB   ALA  11          3HB       ALA  11   3.124  -3.431   3.528
   78    H    LEU  12           H        LEU  12   6.241  -4.391   1.267
   79    HA   LEU  12           HA       LEU  12   7.597  -4.658   3.672
   80   1HB   LEU  12          2HB       LEU  12   9.368  -5.700   2.420
   81   2HB   LEU  12          1HB       LEU  12   7.850  -6.150   1.693
   82    HG   LEU  12           HG       LEU  12   9.350  -3.770   0.525
   83   1HD1  LEU  12          1HD1      LEU  12  11.067  -5.528   0.752
   84   2HD1  LEU  12          2HD1      LEU  12  10.623  -5.309  -0.930
   85   3HD1  LEU  12          3HD1      LEU  12  10.003  -6.687  -0.031
   86   1HD2  LEU  12          1HD2      LEU  12   7.596  -5.979  -0.638
   87   2HD2  LEU  12          2HD2      LEU  12   8.324  -4.678  -1.569
   88   3HD2  LEU  12          3HD2      LEU  12   7.110  -4.315  -0.361
   89    H    LEU  13           H        LEU  13   8.035  -2.117   1.281
   90    HA   LEU  13           HA       LEU  13  10.416  -1.156   2.596
   91   1HB   LEU  13          2HB       LEU  13  10.315   0.679   0.833
   92   2HB   LEU  13          1HB       LEU  13  10.529  -0.943   0.228
   93    HG   LEU  13           HG       LEU  13   7.703  -0.184   0.518
   94   1HD1  LEU  13          1HD1      LEU  13   7.826   1.896  -0.389
   95   2HD1  LEU  13          2HD1      LEU  13   8.220   1.125  -1.906
   96   3HD1  LEU  13          3HD1      LEU  13   9.503   1.709  -0.869
   97   1HD2  LEU  13          1HD2      LEU  13   7.676  -1.107  -1.875
   98   2HD2  LEU  13          2HD2      LEU  13   8.373  -2.214  -0.710
   99   3HD2  LEU  13          3HD2      LEU  13   9.417  -1.284  -1.771
  100    H    GLY  14           H        GLY  14   7.146  -0.837   2.941
  101   1HA   GLY  14          2HA       GLY  14   6.245   0.359   4.869
  102   2HA   GLY  14          1HA       GLY  14   7.389   1.656   4.570
  103    H    CYS  15           H        CYS  15   5.643   0.186   1.918
  104    HA   CYS  15           HA       CYS  15   4.448   2.785   1.306
  105   1HB   CYS  15          2HB       CYS  15   5.349   0.791  -0.274
  106   2HB   CYS  15          1HB       CYS  15   3.663   0.358  -0.264
  107    H    SER  16           H        SER  16   3.172   3.115   3.005
  108    HA   SER  16           HA       SER  16   1.041   1.485   3.968
  109   1HB   SER  16          2HB       SER  16   1.326   4.518   4.099
  110   2HB   SER  16          1HB       SER  16   0.312   3.516   5.152
  111    HG   SER  16           HG       SER  16   3.126   3.328   4.807
  112    H    CYS  17           H        CYS  17  -0.783   1.015   3.089
  113    HA   CYS  17           HA       CYS  17  -1.707   1.974   0.574
  114   1HB   CYS  17          2HB       CYS  17  -2.908   0.292   2.749
  115   2HB   CYS  17          1HB       CYS  17  -3.858   0.733   1.355
  116    H    SER  18           H        SER  18  -1.797   4.211   0.768
  117    HA   SER  18           HA       SER  18  -3.921   5.444   2.431
  118   1HB   SER  18          2HB       SER  18  -1.694   6.618   2.263
  119   2HB   SER  18          1HB       SER  18  -1.889   6.718   0.505
  120    HG   SER  18           HG       SER  18  -3.793   7.663   2.379
  121    H    ASN  19           H        ASN  19  -5.869   5.817   1.560
  122    HA   ASN  19           HA       ASN  19  -7.660   5.702   0.088
  123   1HB   ASN  19          2HB       ASN  19  -7.380   7.180  -1.941
  124   2HB   ASN  19          1HB       ASN  19  -6.896   7.971  -0.454
  125   1HD2  ASN  19          1HD2      ASN  19  -4.648   8.515  -0.199
  126   2HD2  ASN  19          2HD2      ASN  19  -3.542   8.406  -1.484
  127    H    ARG  20           H        ARG  20  -6.265   3.493   0.137
  128    HA   ARG  20           HA       ARG  20  -5.871   1.453  -0.892
  129   1HB   ARG  20          2HB       ARG  20  -8.009   2.711  -2.651
  130   2HB   ARG  20          1HB       ARG  20  -7.357   1.150  -3.082
  131   1HG   ARG  20          2HG       ARG  20  -8.561   0.084  -1.509
  132   2HG   ARG  20          1HG       ARG  20  -7.999   1.095  -0.226
  133   1HD   ARG  20          2HD       ARG  20 -10.152   1.888  -2.247
  134   2HD   ARG  20          1HD       ARG  20 -10.525   1.138  -0.704
  135    HE   ARG  20           HE       ARG  20  -9.728   3.908  -1.124
  136   1HH1  ARG  20          2HH1      ARG  20  -9.675   1.260   1.115
  137   2HH1  ARG  20          1HH1      ARG  20  -9.546   2.290   2.500
  138   1HH2  ARG  20          1HH2      ARG  20  -9.562   5.224   0.616
  139   2HH2  ARG  20          2HH2      ARG  20  -9.478   4.565   2.215
  140    H    VAL  21           H        VAL  21  -4.057   3.432  -1.392
  141    HA   VAL  21           HA       VAL  21  -2.811   2.470  -3.928
  142    HB   VAL  21           HB       VAL  21  -3.022   5.383  -2.983
  143   1HG1  VAL  21          1HG1      VAL  21  -1.529   5.928  -4.926
  144   2HG1  VAL  21          2HG1      VAL  21  -1.309   4.214  -5.235
  145   3HG1  VAL  21          3HG1      VAL  21  -0.683   4.929  -3.761
  146   1HG2  VAL  21          1HG2      VAL  21  -4.924   4.546  -4.369
  147   2HG2  VAL  21          2HG2      VAL  21  -3.789   4.005  -5.596
  148   3HG2  VAL  21          3HG2      VAL  21  -3.973   5.720  -5.265
  149    H    CYS  22           H        CYS  22  -0.928   1.548  -3.358
  150    HA   CYS  22           HA       CYS  22   0.146   1.564  -0.725
  151   1HB   CYS  22          2HB       CYS  22   1.896   1.175  -3.160
  152   2HB   CYS  22          1HB       CYS  22   1.925   0.359  -1.618
  153    H    TYR  23           H        TYR  23   1.156   3.166   0.318
  154    HA   TYR  23           HA       TYR  23   2.684   5.210  -1.210
  155   1HB   TYR  23          2HB       TYR  23   0.153   5.617   0.089
  156   2HB   TYR  23          1HB       TYR  23   1.341   6.547   0.974
  157    HD1  TYR  23           HD1      TYR  23   2.862   8.127  -0.325
  158    HD2  TYR  23           HD2      TYR  23  -0.580   6.316  -2.054
  159    HE1  TYR  23           HE1      TYR  23   2.862   9.815  -2.091
  160    HE2  TYR  23           HE2      TYR  23  -0.579   8.000  -3.825
  161    HH   TYR  23           HH       TYR  23   1.624   9.611  -4.829
  162    H    ASN  24           H        ASN  24   4.683   5.158  -0.588
  163    HA   ASN  24           HA       ASN  24   5.363   4.956   2.330
  164   1HB   ASN  24          2HB       ASN  24   6.365   3.184   0.616
  165   2HB   ASN  24          1HB       ASN  24   7.283   4.520  -0.026
  166   1HD2  ASN  24          1HD2      ASN  24   9.018   2.999   0.644
  167   2HD2  ASN  24          2HD2      ASN  24   9.576   3.094   2.237
  168    H    GLY  25           H        GLY  25   4.381   7.272   1.632
  169   1HA   GLY  25          2HA       GLY  25   4.936   9.515   2.007
  170   2HA   GLY  25          1HA       GLY  25   6.616   9.101   1.661
  171    H    ILE  26           H        ILE  26   6.183   7.660  -0.624
  172    HA   ILE  26           HA       ILE  26   4.936   9.354  -2.691
  173    HB   ILE  26           HB       ILE  26   7.583   9.656  -2.250
  174   1HG1  ILE  26          2HG1      ILE  26   6.993   9.134  -5.162
  175   2HG1  ILE  26          1HG1      ILE  26   6.052  10.363  -4.341
  176   1HG2  ILE  26          1HG2      ILE  26   9.019   8.099  -3.450
  177   2HG2  ILE  26          2HG2      ILE  26   7.637   7.172  -4.009
  178   3HG2  ILE  26          3HG2      ILE  26   8.054   7.189  -2.301
  179   1HD1  ILE  26          1HD1      ILE  26   8.050  11.355  -5.384
  180   2HD1  ILE  26          2HD1      ILE  26   9.091  10.279  -4.467
  181   3HD1  ILE  26          3HD1      ILE  26   8.143  11.505  -3.638
  182    HA   PRO  27           HA       PRO  27   3.160   5.518  -3.324
  183   1HB   PRO  27          2HB       PRO  27   2.700   5.373  -6.039
  184   2HB   PRO  27          1HB       PRO  27   1.729   6.279  -4.910
  185   1HG   PRO  27          2HG       PRO  27   3.647   7.218  -6.783
  186   2HG   PRO  27          1HG       PRO  27   2.291   8.070  -6.084
  187   1HD   PRO  27          2HD       PRO  27   4.924   8.528  -5.366
  188   2HD   PRO  27          1HD       PRO  27   3.542   8.929  -4.334
  189    H    CYS  28           H        CYS  28   3.172   3.448  -4.702
  190    HA   CYS  28           HA       CYS  28   5.845   2.683  -5.756
  191   1HB   CYS  28          2HB       CYS  28   4.571   0.891  -3.678
  192   2HB   CYS  28          1HB       CYS  28   6.239   0.947  -4.169
  193    H    ALA  29           H        ALA  29   3.084   3.061  -6.681
  194    HA   ALA  29           HA       ALA  29   1.664   2.161  -8.272
  195   1HB   ALA  29          1HB       ALA  29   2.538   0.551  -9.771
  196   2HB   ALA  29          2HB       ALA  29   3.406  -0.317  -8.518
  197   3HB   ALA  29          3HB       ALA  29   4.010   1.227  -9.100
  198    H    GLU  30           H        GLU  30   0.388   0.123  -8.766
  199    HA   GLU  30           HA       GLU  30  -1.113  -1.514  -8.143
  200   1HB   GLU  30          2HB       GLU  30   1.044  -2.582  -7.163
  201   2HB   GLU  30          1HB       GLU  30   0.516  -1.977  -5.604
  202   1HG   GLU  30          2HG       GLU  30  -1.734  -3.186  -6.057
  203   2HG   GLU  30          1HG       GLU  30  -0.915  -3.974  -7.394
  Start of MODEL   10
    1    H    SER   1           H        SER   1  -2.591  -1.564  -7.327
    2    HA   SER   1           HA       SER   1  -3.241   0.409  -5.227
    3   1HB   SER   1          2HB       SER   1  -4.569   0.673  -7.176
    4   2HB   SER   1          1HB       SER   1  -4.910  -1.069  -7.293
    5    HG   SER   1           HG       SER   1  -6.544   0.390  -6.283
    6    H    CYS   2           H        CYS   2  -4.344   0.003  -3.521
    7    HA   CYS   2           HA       CYS   2  -4.430  -2.779  -2.449
    8   1HB   CYS   2          2HB       CYS   2  -4.553  -1.319  -0.232
    9   2HB   CYS   2          1HB       CYS   2  -3.076  -1.692  -1.080
   10    H    VAL   3           H        VAL   3  -6.378  -1.946  -4.136
   11    HA   VAL   3           HA       VAL   3  -8.748  -0.830  -3.608
   12    HB   VAL   3           HB       VAL   3  -8.608  -3.727  -4.523
   13   1HG1  VAL   3          1HG1      VAL   3 -10.911  -2.783  -4.096
   14   2HG1  VAL   3          2HG1      VAL   3 -10.640  -3.150  -5.787
   15   3HG1  VAL   3          3HG1      VAL   3 -10.563  -1.486  -5.222
   16   1HG2  VAL   3          1HG2      VAL   3  -8.111  -1.137  -6.009
   17   2HG2  VAL   3          2HG2      VAL   3  -8.426  -2.673  -6.811
   18   3HG2  VAL   3          3HG2      VAL   3  -6.997  -2.486  -5.810
   19    H    TYR   4           H        TYR   4  -8.012  -4.045  -2.428
   20    HA   TYR   4           HA       TYR   4  -9.974  -3.693  -0.207
   21   1HB   TYR   4          2HB       TYR   4  -9.424  -6.004  -2.096
   22   2HB   TYR   4          1HB       TYR   4  -9.962  -6.306  -0.459
   23    HD1  TYR   4           HD1      TYR   4 -12.175  -5.292   0.318
   24    HD2  TYR   4           HD2      TYR   4 -10.958  -5.208  -3.764
   25    HE1  TYR   4           HE1      TYR   4 -14.475  -4.801  -0.361
   26    HE2  TYR   4           HE2      TYR   4 -13.258  -4.716  -4.438
   27    HH   TYR   4           HH       TYR   4 -15.323  -3.581  -3.239
   28    H    ILE   5           H        ILE   5  -7.289  -5.561  -1.442
   29    HA   ILE   5           HA       ILE   5  -6.161  -6.370   0.966
   30    HB   ILE   5           HB       ILE   5  -4.008  -6.494  -0.580
   31   1HG1  ILE   5          2HG1      ILE   5  -5.910  -6.504  -2.894
   32   2HG1  ILE   5          1HG1      ILE   5  -5.501  -4.920  -2.278
   33   1HG2  ILE   5          1HG2      ILE   5  -6.557  -8.090  -1.022
   34   2HG2  ILE   5          2HG2      ILE   5  -5.254  -8.463   0.096
   35   3HG2  ILE   5          3HG2      ILE   5  -4.984  -8.584  -1.635
   36   1HD1  ILE   5          1HD1      ILE   5  -3.066  -5.494  -2.471
   37   2HD1  ILE   5          2HD1      ILE   5  -3.912  -5.487  -4.009
   38   3HD1  ILE   5          3HD1      ILE   5  -3.526  -7.014  -3.231
   39    HA   PRO   6           HA       PRO   6  -4.328  -2.548   2.589
   40   1HB   PRO   6          2HB       PRO   6  -2.098  -4.417   3.342
   41   2HB   PRO   6          1HB       PRO   6  -2.960  -3.255   4.346
   42   1HG   PRO   6          2HG       PRO   6  -3.449  -5.992   4.342
   43   2HG   PRO   6          1HG       PRO   6  -4.606  -4.786   4.884
   44   1HD   PRO   6          2HD       PRO   6  -4.731  -6.457   2.472
   45   2HD   PRO   6          1HD       PRO   6  -5.995  -5.385   3.097
   46    H    CYS   7           H        CYS   7  -2.237  -4.803   0.873
   47    HA   CYS   7           HA       CYS   7  -1.533  -3.072  -1.239
   48   1HB   CYS   7          2HB       CYS   7  -0.299  -1.821   0.548
   49   2HB   CYS   7          1HB       CYS   7   0.621  -3.260   0.888
   50    H    THR   8           H        THR   8  -0.289  -5.481   0.902
   51    HA   THR   8           HA       THR   8   1.033  -7.308   0.653
   52    HB   THR   8           HB       THR   8  -1.534  -7.794   0.211
   53    HG1  THR   8           HG1      THR   8   0.092  -9.341   0.810
   54   1HG2  THR   8          1HG2      THR   8  -0.595  -8.758  -2.482
   55   2HG2  THR   8          2HG2      THR   8  -1.360  -7.188  -2.279
   56   3HG2  THR   8          3HG2      THR   8  -2.227  -8.642  -1.840
   57    H    VAL   9           H        VAL   9   1.904  -5.377  -1.224
   58    HA   VAL   9           HA       VAL   9   3.556  -7.222  -2.864
   59    HB   VAL   9           HB       VAL   9   2.041  -4.898  -4.138
   60   1HG1  VAL   9          1HG1      VAL   9   4.126  -5.445  -5.323
   61   2HG1  VAL   9          2HG1      VAL   9   2.762  -5.989  -6.281
   62   3HG1  VAL   9          3HG1      VAL   9   3.701  -7.148  -5.355
   63   1HG2  VAL   9          1HG2      VAL   9   1.405  -7.902  -4.209
   64   2HG2  VAL   9          2HG2      VAL   9   0.632  -6.722  -5.251
   65   3HG2  VAL   9          3HG2      VAL   9   0.392  -6.661  -3.535
   66    H    THR  10           H        THR  10   2.947  -3.784  -2.365
   67    HA   THR  10           HA       THR  10   5.898  -3.250  -2.445
   68    HB   THR  10           HB       THR  10   5.378  -0.979  -2.991
   69    HG1  THR  10           HG1      THR  10   3.657  -0.120  -2.171
   70   1HG2  THR  10          1HG2      THR  10   3.262  -2.806  -4.288
   71   2HG2  THR  10          2HG2      THR  10   4.805  -2.333  -4.981
   72   3HG2  THR  10          3HG2      THR  10   3.526  -1.150  -4.768
   73    H    ALA  11           H        ALA  11   3.484  -3.803  -0.207
   74    HA   ALA  11           HA       ALA  11   3.999  -1.907   1.789
   75   1HB   ALA  11          1HB       ALA  11   3.264  -4.196   3.199
   76   2HB   ALA  11          2HB       ALA  11   2.642  -4.529   1.593
   77   3HB   ALA  11          3HB       ALA  11   2.145  -3.079   2.449
   78    H    LEU  12           H        LEU  12   5.911  -4.395   0.598
   79    HA   LEU  12           HA       LEU  12   7.370  -5.350   2.749
   80   1HB   LEU  12          2HB       LEU  12   7.525  -5.392  -0.135
   81   2HB   LEU  12          1HB       LEU  12   9.133  -5.056   0.458
   82    HG   LEU  12           HG       LEU  12   7.452  -7.343   1.573
   83   1HD1  LEU  12          1HD1      LEU  12   9.463  -7.398  -0.720
   84   2HD1  LEU  12          2HD1      LEU  12   7.739  -7.711  -0.851
   85   3HD1  LEU  12          3HD1      LEU  12   8.766  -8.821   0.040
   86   1HD2  LEU  12          1HD2      LEU  12   9.683  -8.188   2.293
   87   2HD2  LEU  12          2HD2      LEU  12   9.402  -6.589   2.953
   88   3HD2  LEU  12          3HD2      LEU  12  10.462  -6.791   1.568
   89    H    LEU  13           H        LEU  13   7.910  -2.443   0.845
   90    HA   LEU  13           HA       LEU  13  10.228  -1.711   2.390
   91   1HB   LEU  13          2HB       LEU  13  10.453   0.145   0.805
   92   2HB   LEU  13          1HB       LEU  13  10.212  -1.357  -0.047
   93    HG   LEU  13           HG       LEU  13   7.608  -0.218   0.520
   94   1HD1  LEU  13          1HD1      LEU  13   9.237   1.684  -1.187
   95   2HD1  LEU  13          2HD1      LEU  13   9.139   1.926   0.545
   96   3HD1  LEU  13          3HD1      LEU  13   7.677   1.948  -0.424
   97   1HD2  LEU  13          1HD2      LEU  13   9.102  -0.511  -2.128
   98   2HD2  LEU  13          2HD2      LEU  13   7.365  -0.342  -1.938
   99   3HD2  LEU  13          3HD2      LEU  13   8.175  -1.785  -1.355
  100    H    GLY  14           H        GLY  14   7.121  -1.614   2.997
  101   1HA   GLY  14          2HA       GLY  14   6.050  -0.592   4.849
  102   2HA   GLY  14          1HA       GLY  14   7.274   0.670   4.859
  103    H    CYS  15           H        CYS  15   5.425  -0.361   2.028
  104    HA   CYS  15           HA       CYS  15   4.565   2.406   1.611
  105   1HB   CYS  15          2HB       CYS  15   5.289   0.612  -0.155
  106   2HB   CYS  15          1HB       CYS  15   3.638   0.073  -0.074
  107    H    SER  16           H        SER  16   3.304   2.817   3.260
  108    HA   SER  16           HA       SER  16   0.978   1.431   4.169
  109   1HB   SER  16          2HB       SER  16   1.749   4.356   4.415
  110   2HB   SER  16          1HB       SER  16   0.485   3.552   5.362
  111    HG   SER  16           HG       SER  16   3.224   2.797   5.198
  112    H    CYS  17           H        CYS  17  -0.865   1.237   3.202
  113    HA   CYS  17           HA       CYS  17  -1.611   2.475   0.769
  114   1HB   CYS  17          2HB       CYS  17  -2.508   0.369   1.728
  115   2HB   CYS  17          1HB       CYS  17  -3.501   1.304   2.804
  116    H    SER  18           H        SER  18  -2.979   3.956   0.187
  117    HA   SER  18           HA       SER  18  -4.379   5.762   2.043
  118   1HB   SER  18          2HB       SER  18  -2.260   6.778   0.036
  119   2HB   SER  18          1HB       SER  18  -3.254   7.796   1.090
  120    HG   SER  18           HG       SER  18  -1.359   5.834   1.853
  121    H    ASN  19           H        ASN  19  -6.322   6.003   1.080
  122    HA   ASN  19           HA       ASN  19  -8.042   5.734  -0.460
  123   1HB   ASN  19          2HB       ASN  19  -7.647   7.062  -2.615
  124   2HB   ASN  19          1HB       ASN  19  -7.401   7.983  -1.146
  125   1HD2  ASN  19          1HD2      ASN  19  -5.230   8.664  -0.645
  126   2HD2  ASN  19          2HD2      ASN  19  -3.976   8.573  -1.785
  127    H    ARG  20           H        ARG  20  -6.617   3.588  -0.204
  128    HA   ARG  20           HA       ARG  20  -6.108   1.498  -1.063
  129   1HB   ARG  20          2HB       ARG  20  -8.230   2.575  -2.919
  130   2HB   ARG  20          1HB       ARG  20  -7.479   1.052  -3.325
  131   1HG   ARG  20          2HG       ARG  20  -8.406  -0.097  -1.578
  132   2HG   ARG  20          1HG       ARG  20  -8.240   1.176  -0.435
  133   1HD   ARG  20          2HD       ARG  20 -10.393   0.845  -2.573
  134   2HD   ARG  20          1HD       ARG  20 -10.630   0.849  -0.831
  135    HE   ARG  20           HE       ARG  20 -10.525   3.167  -2.537
  136   1HH1  ARG  20          2HH1      ARG  20  -9.626   2.024   0.612
  137   2HH1  ARG  20          1HH1      ARG  20  -9.676   3.603   1.317
  138   1HH2  ARG  20          1HH2      ARG  20 -10.595   5.164  -1.664
  139   2HH2  ARG  20          2HH2      ARG  20 -10.233   5.406   0.013
  140    H    VAL  21           H        VAL  21  -4.279   3.445  -1.597
  141    HA   VAL  21           HA       VAL  21  -2.886   2.341  -3.999
  142    HB   VAL  21           HB       VAL  21  -3.215   5.308  -3.256
  143   1HG1  VAL  21          1HG1      VAL  21  -0.839   5.024  -3.744
  144   2HG1  VAL  21          2HG1      VAL  21  -1.587   5.741  -5.155
  145   3HG1  VAL  21          3HG1      VAL  21  -1.194   4.030  -5.147
  146   1HG2  VAL  21          1HG2      VAL  21  -3.698   3.728  -5.825
  147   2HG2  VAL  21          2HG2      VAL  21  -3.942   5.458  -5.654
  148   3HG2  VAL  21          3HG2      VAL  21  -4.954   4.337  -4.760
  149    H    CYS  22           H        CYS  22  -1.062   1.377  -3.148
  150    HA   CYS  22           HA       CYS  22  -0.145   1.628  -0.483
  151   1HB   CYS  22          2HB       CYS  22   1.673   1.064  -2.838
  152   2HB   CYS  22          1HB       CYS  22   1.862   0.544  -1.189
  153    H    TYR  23           H        TYR  23   1.051   3.179   0.552
  154    HA   TYR  23           HA       TYR  23   2.503   5.212  -1.062
  155   1HB   TYR  23          2HB       TYR  23   0.042   5.639   0.355
  156   2HB   TYR  23          1HB       TYR  23   1.280   6.554   1.189
  157    HD1  TYR  23           HD1      TYR  23   2.747   8.129  -0.155
  158    HD2  TYR  23           HD2      TYR  23  -0.755   6.317  -1.766
  159    HE1  TYR  23           HE1      TYR  23   2.692   9.805  -1.916
  160    HE2  TYR  23           HE2      TYR  23  -0.817   7.987  -3.530
  161    HH   TYR  23           HH       TYR  23   0.002  10.288  -3.927
  162    H    ASN  24           H        ASN  24   4.308   6.091  -0.299
  163    HA   ASN  24           HA       ASN  24   5.109   5.758   2.523
  164   1HB   ASN  24          2HB       ASN  24   5.860   3.726   0.837
  165   2HB   ASN  24          1HB       ASN  24   7.163   4.814   0.467
  166   1HD2  ASN  24          1HD2      ASN  24   7.651   2.422   1.633
  167   2HD2  ASN  24          2HD2      ASN  24   8.259   2.707   3.188
  168    H    GLY  25           H        GLY  25   4.401   8.011   1.711
  169   1HA   GLY  25          2HA       GLY  25   5.182  10.215   1.789
  170   2HA   GLY  25          1HA       GLY  25   6.776   9.608   1.313
  171    H    ILE  26           H        ILE  26   6.332   8.134  -0.746
  172    HA   ILE  26           HA       ILE  26   4.914   9.582  -2.895
  173    HB   ILE  26           HB       ILE  26   6.909   8.506  -4.259
  174   1HG1  ILE  26          2HG1      ILE  26   8.538   8.941  -1.742
  175   2HG1  ILE  26          1HG1      ILE  26   7.760   7.393  -1.991
  176   1HG2  ILE  26          1HG2      ILE  26   8.264  10.587  -3.987
  177   2HG2  ILE  26          2HG2      ILE  26   7.388  10.956  -2.508
  178   3HG2  ILE  26          3HG2      ILE  26   6.549  10.952  -4.052
  179   1HD1  ILE  26          1HD1      ILE  26   9.738   8.700  -3.888
  180   2HD1  ILE  26          2HD1      ILE  26   8.870   7.210  -4.232
  181   3HD1  ILE  26          3HD1      ILE  26  10.009   7.275  -2.900
  182    HA   PRO  27           HA       PRO  27   3.034   5.631  -3.156
  183   1HB   PRO  27          2HB       PRO  27   2.526   5.352  -5.842
  184   2HB   PRO  27          1HB       PRO  27   1.575   6.342  -4.761
  185   1HG   PRO  27          2HG       PRO  27   3.535   7.151  -6.665
  186   2HG   PRO  27          1HG       PRO  27   2.114   8.021  -6.126
  187   1HD   PRO  27          2HD       PRO  27   4.655   8.692  -5.291
  188   2HD   PRO  27          1HD       PRO  27   3.200   8.994  -4.318
  189    H    CYS  28           H        CYS  28   3.178   3.506  -4.436
  190    HA   CYS  28           HA       CYS  28   5.927   2.882  -5.412
  191   1HB   CYS  28          2HB       CYS  28   4.638   0.980  -3.474
  192   2HB   CYS  28          1HB       CYS  28   6.332   1.204  -3.796
  193    H    ALA  29           H        ALA  29   3.095   3.109  -6.382
  194    HA   ALA  29           HA       ALA  29   1.805   2.148  -8.054
  195   1HB   ALA  29          1HB       ALA  29   4.251   1.345  -8.809
  196   2HB   ALA  29          2HB       ALA  29   2.833   0.628  -9.551
  197   3HB   ALA  29          3HB       ALA  29   3.683  -0.232  -8.282
  198    H    GLU  30           H        GLU  30   0.802  -0.126  -8.579
  199    HA   GLU  30           HA       GLU  30  -0.590  -1.845  -7.934
  200   1HB   GLU  30          2HB       GLU  30   1.530  -2.814  -6.913
  201   2HB   GLU  30          1HB       GLU  30   1.141  -2.020  -5.403
  202   1HG   GLU  30          2HG       GLU  30   0.332  -4.267  -5.186
  203   2HG   GLU  30          1HG       GLU  30  -1.086  -3.269  -5.387
  Start of MODEL   11
    1    H    SER   1           H        SER   1  -2.805  -1.510  -6.865
    2    HA   SER   1           HA       SER   1  -3.342   0.271  -4.585
    3   1HB   SER   1          2HB       SER   1  -4.973  -0.670  -6.969
    4   2HB   SER   1          1HB       SER   1  -5.743   0.183  -5.615
    5    HG   SER   1           HG       SER   1  -4.330   1.857  -5.878
    6    H    CYS   2           H        CYS   2  -4.718  -0.145  -2.963
    7    HA   CYS   2           HA       CYS   2  -5.188  -2.981  -2.267
    8   1HB   CYS   2          2HB       CYS   2  -5.467  -0.831  -0.211
    9   2HB   CYS   2          1HB       CYS   2  -4.645  -2.357  -0.096
   10    H    VAL   3           H        VAL   3  -6.815  -1.587  -4.008
   11    HA   VAL   3           HA       VAL   3  -9.121  -0.327  -3.537
   12    HB   VAL   3           HB       VAL   3  -9.053  -3.025  -4.942
   13   1HG1  VAL   3          1HG1      VAL   3 -10.952  -2.128  -6.252
   14   2HG1  VAL   3          2HG1      VAL   3 -10.908  -0.620  -5.351
   15   3HG1  VAL   3          3HG1      VAL   3 -11.390  -2.107  -4.557
   16   1HG2  VAL   3          1HG2      VAL   3  -7.343  -1.637  -5.812
   17   2HG2  VAL   3          2HG2      VAL   3  -8.344  -0.193  -5.703
   18   3HG2  VAL   3          3HG2      VAL   3  -8.700  -1.424  -6.917
   19    H    TYR   4           H        TYR   4  -8.845  -3.738  -2.834
   20    HA   TYR   4           HA       TYR   4 -10.961  -3.477  -0.736
   21   1HB   TYR   4          2HB       TYR   4 -10.608  -5.445  -3.010
   22   2HB   TYR   4          1HB       TYR   4 -11.197  -6.037  -1.470
   23    HD1  TYR   4           HD1      TYR   4 -12.131  -4.395  -4.507
   24    HD2  TYR   4           HD2      TYR   4 -13.184  -4.708  -0.390
   25    HE1  TYR   4           HE1      TYR   4 -14.354  -3.493  -5.005
   26    HE2  TYR   4           HE2      TYR   4 -15.404  -3.806  -0.890
   27    HH   TYR   4           HH       TYR   4 -16.424  -2.328  -2.681
   28    H    ILE   5           H        ILE   5  -8.432  -5.495  -2.065
   29    HA   ILE   5           HA       ILE   5  -7.651  -6.697   0.356
   30    HB   ILE   5           HB       ILE   5  -5.469  -7.108  -1.094
   31   1HG1  ILE   5          2HG1      ILE   5  -7.297  -6.411  -3.400
   32   2HG1  ILE   5          1HG1      ILE   5  -6.229  -5.204  -2.714
   33   1HG2  ILE   5          1HG2      ILE   5  -6.617  -8.973  -2.266
   34   2HG2  ILE   5          2HG2      ILE   5  -8.174  -8.217  -1.955
   35   3HG2  ILE   5          3HG2      ILE   5  -7.204  -8.822  -0.620
   36   1HD1  ILE   5          1HD1      ILE   5  -5.122  -6.316  -4.604
   37   2HD1  ILE   5          2HD1      ILE   5  -5.342  -7.886  -3.848
   38   3HD1  ILE   5          3HD1      ILE   5  -4.272  -6.700  -3.117
   39    HA   PRO   6           HA       PRO   6  -4.323  -3.684   1.577
   40   1HB   PRO   6          2HB       PRO   6  -2.351  -5.669   2.051
   41   2HB   PRO   6          1HB       PRO   6  -3.366  -4.873   3.246
   42   1HG   PRO   6          2HG       PRO   6  -3.607  -7.566   2.075
   43   2HG   PRO   6          1HG       PRO   6  -4.236  -6.960   3.604
   44   1HD   PRO   6          2HD       PRO   6  -5.816  -7.440   1.301
   45   2HD   PRO   6          1HD       PRO   6  -6.307  -6.361   2.619
   46    H    CYS   7           H        CYS   7  -1.876  -3.663   0.950
   47    HA   CYS   7           HA       CYS   7  -1.781  -3.743  -2.011
   48   1HB   CYS   7          2HB       CYS   7  -0.994  -1.704  -1.213
   49   2HB   CYS   7          1HB       CYS   7  -0.241  -2.413   0.189
   50    H    THR   8           H        THR   8   0.180  -4.794   0.715
   51    HA   THR   8           HA       THR   8   1.971  -6.303   0.842
   52    HB   THR   8           HB       THR   8   0.869  -8.703   0.152
   53    HG1  THR   8           HG1      THR   8  -1.358  -8.444   0.137
   54   1HG2  THR   8          1HG2      THR   8  -0.111  -6.787   2.311
   55   2HG2  THR   8          2HG2      THR   8   1.245  -7.898   2.458
   56   3HG2  THR   8          3HG2      THR   8  -0.393  -8.530   2.315
   57    H    VAL   9           H        VAL   9   2.684  -4.999  -1.153
   58    HA   VAL   9           HA       VAL   9   4.042  -6.950  -2.900
   59    HB   VAL   9           HB       VAL   9   2.203  -4.735  -3.905
   60   1HG1  VAL   9          1HG1      VAL   9   3.104  -5.368  -6.259
   61   2HG1  VAL   9          2HG1      VAL   9   4.484  -6.055  -5.416
   62   3HG1  VAL   9          3HG1      VAL   9   4.118  -4.342  -5.271
   63   1HG2  VAL   9          1HG2      VAL   9   1.407  -6.680  -5.431
   64   2HG2  VAL   9          2HG2      VAL   9   1.077  -6.912  -3.733
   65   3HG2  VAL   9          3HG2      VAL   9   2.433  -7.733  -4.473
   66    H    THR  10           H        THR  10   3.486  -3.639  -1.960
   67    HA   THR  10           HA       THR  10   6.418  -2.991  -2.138
   68    HB   THR  10           HB       THR  10   5.679  -0.649  -2.643
   69    HG1  THR  10           HG1      THR  10   3.203  -2.012  -2.949
   70   1HG2  THR  10          1HG2      THR  10   5.741  -1.218  -4.915
   71   2HG2  THR  10          2HG2      THR  10   4.188  -2.024  -4.806
   72   3HG2  THR  10          3HG2      THR  10   5.662  -2.903  -4.457
   73    H    ALA  11           H        ALA  11   3.538  -3.101  -0.288
   74    HA   ALA  11           HA       ALA  11   3.905  -1.224   1.702
   75   1HB   ALA  11          1HB       ALA  11   1.895  -2.517   1.678
   76   2HB   ALA  11          2HB       ALA  11   2.692  -2.946   3.183
   77   3HB   ALA  11          3HB       ALA  11   2.777  -4.031   1.803
   78    H    LEU  12           H        LEU  12   5.674  -4.133   1.209
   79    HA   LEU  12           HA       LEU  12   6.756  -4.649   3.700
   80   1HB   LEU  12          2HB       LEU  12   8.604  -5.769   2.445
   81   2HB   LEU  12          1HB       LEU  12   7.012  -6.174   1.855
   82    HG   LEU  12           HG       LEU  12   7.650  -3.936   0.275
   83   1HD1  LEU  12          1HD1      LEU  12  10.172  -5.630   0.488
   84   2HD1  LEU  12          2HD1      LEU  12  10.012  -4.043   1.218
   85   3HD1  LEU  12          3HD1      LEU  12   9.926  -4.216  -0.525
   86   1HD2  LEU  12          1HD2      LEU  12   6.622  -6.011  -0.546
   87   2HD2  LEU  12          2HD2      LEU  12   8.135  -6.879  -0.326
   88   3HD2  LEU  12          3HD2      LEU  12   8.019  -5.604  -1.531
   89    H    LEU  13           H        LEU  13   7.866  -2.260   1.358
   90    HA   LEU  13           HA       LEU  13  10.164  -1.610   2.961
   91   1HB   LEU  13          2HB       LEU  13  10.850  -0.193   1.137
   92   2HB   LEU  13          1HB       LEU  13  10.315  -1.723   0.505
   93    HG   LEU  13           HG       LEU  13   8.017  -0.005   0.625
   94   1HD1  LEU  13          1HD1      LEU  13  10.012   1.762   0.536
   95   2HD1  LEU  13          2HD1      LEU  13   8.638   1.971  -0.531
   96   3HD1  LEU  13          3HD1      LEU  13  10.127   1.275  -1.142
   97   1HD2  LEU  13          1HD2      LEU  13   9.642  -0.904  -1.803
   98   2HD2  LEU  13          2HD2      LEU  13   7.944  -0.461  -1.803
   99   3HD2  LEU  13          3HD2      LEU  13   8.473  -1.921  -0.983
  100    H    GLY  14           H        GLY  14   7.003  -0.719   3.041
  101   1HA   GLY  14          2HA       GLY  14   6.408   0.836   4.918
  102   2HA   GLY  14          1HA       GLY  14   7.582   1.961   4.257
  103    H    CYS  15           H        CYS  15   5.761   0.268   1.915
  104    HA   CYS  15           HA       CYS  15   4.428   2.725   1.068
  105   1HB   CYS  15          2HB       CYS  15   4.483  -0.107  -0.002
  106   2HB   CYS  15          1HB       CYS  15   3.763   1.221  -0.836
  107    H    SER  16           H        SER  16   3.181   3.121   2.712
  108    HA   SER  16           HA       SER  16   1.173   1.506   3.944
  109   1HB   SER  16          2HB       SER  16   1.396   4.543   3.803
  110   2HB   SER  16          1HB       SER  16   0.435   3.633   4.982
  111    HG   SER  16           HG       SER  16   3.237   3.528   4.562
  112    H    CYS  17           H        CYS  17  -0.755   0.956   3.268
  113    HA   CYS  17           HA       CYS  17  -1.807   1.723   0.710
  114   1HB   CYS  17          2HB       CYS  17  -2.805   0.114   3.042
  115   2HB   CYS  17          1HB       CYS  17  -3.932   0.548   1.782
  116    H    SER  18           H        SER  18  -1.800   3.960   0.854
  117    HA   SER  18           HA       SER  18  -3.817   5.347   2.530
  118   1HB   SER  18          2HB       SER  18  -1.874   6.563   0.479
  119   2HB   SER  18          1HB       SER  18  -2.690   7.393   1.814
  120    HG   SER  18           HG       SER  18  -1.579   5.952   3.232
  121    H    ASN  19           H        ASN  19  -5.780   5.623   1.685
  122    HA   ASN  19           HA       ASN  19  -7.583   5.496   0.221
  123   1HB   ASN  19          2HB       ASN  19  -7.368   6.976  -1.770
  124   2HB   ASN  19          1HB       ASN  19  -6.802   7.775  -0.316
  125   1HD2  ASN  19          1HD2      ASN  19  -4.531   8.309  -0.200
  126   2HD2  ASN  19          2HD2      ASN  19  -3.511   8.198  -1.555
  127    H    ARG  20           H        ARG  20  -6.088   3.311   0.258
  128    HA   ARG  20           HA       ARG  20  -5.673   1.285  -0.752
  129   1HB   ARG  20          2HB       ARG  20  -7.790   2.454  -2.626
  130   2HB   ARG  20          1HB       ARG  20  -7.113   0.878  -2.930
  131   1HG   ARG  20          2HG       ARG  20  -8.675   0.019  -1.524
  132   2HG   ARG  20          1HG       ARG  20  -7.777   0.667  -0.201
  133   1HD   ARG  20          2HD       ARG  20  -9.802   2.268  -1.845
  134   2HD   ARG  20          1HD       ARG  20 -10.303   1.267  -0.492
  135    HE   ARG  20           HE       ARG  20  -8.970   3.850  -0.314
  136   1HH1  ARG  20          2HH1      ARG  20  -9.329   0.765   1.230
  137   2HH1  ARG  20          1HH1      ARG  20  -8.919   1.376   2.797
  138   1HH2  ARG  20          1HH2      ARG  20  -8.443   4.640   1.675
  139   2HH2  ARG  20          2HH2      ARG  20  -8.411   3.587   3.050
  140    H    VAL  21           H        VAL  21  -3.913   3.315  -1.261
  141    HA   VAL  21           HA       VAL  21  -2.640   2.344  -3.779
  142    HB   VAL  21           HB       VAL  21  -2.928   5.267  -2.886
  143   1HG1  VAL  21          1HG1      VAL  21  -0.588   4.823  -3.714
  144   2HG1  VAL  21          2HG1      VAL  21  -1.474   5.822  -4.848
  145   3HG1  VAL  21          3HG1      VAL  21  -1.250   4.111  -5.173
  146   1HG2  VAL  21          1HG2      VAL  21  -4.836   4.335  -4.215
  147   2HG2  VAL  21          2HG2      VAL  21  -3.710   3.812  -5.455
  148   3HG2  VAL  21          3HG2      VAL  21  -3.949   5.525  -5.150
  149    H    CYS  22           H        CYS  22  -0.699   1.461  -3.146
  150    HA   CYS  22           HA       CYS  22   0.340   1.720  -0.486
  151   1HB   CYS  22          2HB       CYS  22   0.948   0.248  -2.837
  152   2HB   CYS  22          1HB       CYS  22   2.415   1.087  -2.427
  153    H    TYR  23           H        TYR  23   1.391   3.370   0.375
  154    HA   TYR  23           HA       TYR  23   2.933   5.283  -1.297
  155   1HB   TYR  23          2HB       TYR  23   0.426   5.786   0.058
  156   2HB   TYR  23          1HB       TYR  23   1.662   6.779   0.797
  157    HD1  TYR  23           HD1      TYR  23  -0.451   6.353  -2.066
  158    HD2  TYR  23           HD2      TYR  23   3.144   8.200  -0.727
  159    HE1  TYR  23           HE1      TYR  23  -0.545   7.896  -3.957
  160    HE2  TYR  23           HE2      TYR  23   3.051   9.746  -2.614
  161    HH   TYR  23           HH       TYR  23   1.186  10.693  -4.131
  162    H    ASN  24           H        ASN  24   4.882   5.686  -0.580
  163    HA   ASN  24           HA       ASN  24   5.489   5.556   2.348
  164   1HB   ASN  24          2HB       ASN  24   6.327   3.484   0.922
  165   2HB   ASN  24          1HB       ASN  24   7.448   4.593   0.180
  166   1HD2  ASN  24          1HD2      ASN  24   8.518   2.570   1.425
  167   2HD2  ASN  24          2HD2      ASN  24   9.231   3.055   2.881
  168    H    GLY  25           H        GLY  25   4.797   7.819   1.561
  169   1HA   GLY  25          2HA       GLY  25   5.580  10.025   1.659
  170   2HA   GLY  25          1HA       GLY  25   7.179   9.416   1.200
  171    H    ILE  26           H        ILE  26   6.771   7.951  -0.909
  172    HA   ILE  26           HA       ILE  26   5.403   9.508  -3.020
  173    HB   ILE  26           HB       ILE  26   7.308   8.410  -4.422
  174   1HG1  ILE  26          2HG1      ILE  26   8.081   7.008  -2.331
  175   2HG1  ILE  26          1HG1      ILE  26   9.251   7.596  -3.483
  176   1HG2  ILE  26          1HG2      ILE  26   7.193  10.808  -4.177
  177   2HG2  ILE  26          2HG2      ILE  26   8.868  10.353  -3.903
  178   3HG2  ILE  26          3HG2      ILE  26   7.822  10.735  -2.541
  179   1HD1  ILE  26          1HD1      ILE  26   9.799   7.915  -0.976
  180   2HD1  ILE  26          2HD1      ILE  26   8.617   9.208  -0.986
  181   3HD1  ILE  26          3HD1      ILE  26  10.030   9.302  -2.023
  182    HA   PRO  27           HA       PRO  27   3.173   5.811  -3.438
  183   1HB   PRO  27          2HB       PRO  27   2.790   5.541  -6.146
  184   2HB   PRO  27          1HB       PRO  27   1.890   6.646  -5.136
  185   1HG   PRO  27          2HG       PRO  27   4.049   7.179  -6.916
  186   2HG   PRO  27          1HG       PRO  27   2.715   8.230  -6.495
  187   1HD   PRO  27          2HD       PRO  27   5.255   8.623  -5.514
  188   2HD   PRO  27          1HD       PRO  27   3.797   9.105  -4.627
  189    H    CYS  28           H        CYS  28   3.110   3.659  -4.670
  190    HA   CYS  28           HA       CYS  28   5.721   2.677  -5.648
  191   1HB   CYS  28          2HB       CYS  28   4.417   1.099  -3.443
  192   2HB   CYS  28          1HB       CYS  28   6.076   1.081  -3.955
  193    H    ALA  29           H        ALA  29   2.819   3.055  -6.407
  194    HA   ALA  29           HA       ALA  29   1.258   2.010  -7.768
  195   1HB   ALA  29          1HB       ALA  29   3.542   1.259  -8.873
  196   2HB   ALA  29          2HB       ALA  29   2.087   0.390  -9.319
  197   3HB   ALA  29          3HB       ALA  29   3.200  -0.307  -8.159
  198    H    GLU  30           H        GLU  30   0.436  -0.462  -8.138
  199    HA   GLU  30           HA       GLU  30  -0.826  -2.185  -7.290
  200   1HB   GLU  30          2HB       GLU  30   1.284  -3.086  -6.377
  201   2HB   GLU  30          1HB       GLU  30   1.165  -2.067  -4.958
  202   1HG   GLU  30          2HG       GLU  30   0.362  -4.414  -4.503
  203   2HG   GLU  30          1HG       GLU  30  -0.887  -3.232  -4.222
  Start of MODEL   12
    1    H    SER   1           H        SER   1  -2.710  -1.456  -7.491
    2    HA   SER   1           HA       SER   1  -3.368   0.392  -5.290
    3   1HB   SER   1          2HB       SER   1  -5.680   0.362  -6.354
    4   2HB   SER   1          1HB       SER   1  -4.425   0.768  -7.532
    5    HG   SER   1           HG       SER   1  -4.318  -1.524  -7.977
    6    H    CYS   2           H        CYS   2  -4.326  -0.133  -3.520
    7    HA   CYS   2           HA       CYS   2  -4.985  -2.970  -2.915
    8   1HB   CYS   2          2HB       CYS   2  -4.622  -2.087  -0.531
    9   2HB   CYS   2          1HB       CYS   2  -3.235  -2.111  -1.583
   10    H    VAL   3           H        VAL   3  -6.821  -1.844  -4.347
   11    HA   VAL   3           HA       VAL   3  -8.882  -0.257  -3.575
   12    HB   VAL   3           HB       VAL   3  -9.376  -2.950  -4.872
   13   1HG1  VAL   3          1HG1      VAL   3 -11.176  -1.707  -6.044
   14   2HG1  VAL   3          2HG1      VAL   3 -10.733  -0.228  -5.200
   15   3HG1  VAL   3          3HG1      VAL   3 -11.406  -1.583  -4.312
   16   1HG2  VAL   3          1HG2      VAL   3  -7.547  -2.065  -6.061
   17   2HG2  VAL   3          2HG2      VAL   3  -8.136  -0.410  -5.922
   18   3HG2  VAL   3          3HG2      VAL   3  -8.947  -1.553  -6.993
   19    H    TYR   4           H        TYR   4  -8.779  -3.681  -2.779
   20    HA   TYR   4           HA       TYR   4 -10.774  -3.187  -0.596
   21   1HB   TYR   4          2HB       TYR   4 -10.447  -5.421  -2.631
   22   2HB   TYR   4          1HB       TYR   4 -11.114  -5.756  -1.047
   23    HD1  TYR   4           HD1      TYR   4 -13.267  -4.692  -0.346
   24    HD2  TYR   4           HD2      TYR   4 -11.680  -4.076  -4.250
   25    HE1  TYR   4           HE1      TYR   4 -15.428  -3.812  -1.088
   26    HE2  TYR   4           HE2      TYR   4 -13.842  -3.197  -4.989
   27    HH   TYR   4           HH       TYR   4 -16.160  -2.130  -3.032
   28    H    ILE   5           H        ILE   5  -8.421  -5.441  -1.819
   29    HA   ILE   5           HA       ILE   5  -7.476  -6.359   0.665
   30    HB   ILE   5           HB       ILE   5  -5.430  -7.018  -0.902
   31   1HG1  ILE   5          2HG1      ILE   5  -7.403  -6.666  -3.155
   32   2HG1  ILE   5          1HG1      ILE   5  -6.428  -5.292  -2.682
   33   1HG2  ILE   5          1HG2      ILE   5  -7.128  -8.632  -0.090
   34   2HG2  ILE   5          2HG2      ILE   5  -6.751  -8.964  -1.771
   35   3HG2  ILE   5          3HG2      ILE   5  -8.238  -8.124  -1.354
   36   1HD1  ILE   5          1HD1      ILE   5  -5.313  -8.011  -3.460
   37   2HD1  ILE   5          2HD1      ILE   5  -4.359  -6.605  -3.003
   38   3HD1  ILE   5          3HD1      ILE   5  -5.320  -6.576  -4.472
   39    HA   PRO   6           HA       PRO   6  -4.580  -2.953   1.547
   40   1HB   PRO   6          2HB       PRO   6  -2.582  -4.490   2.814
   41   2HB   PRO   6          1HB       PRO   6  -3.943  -3.699   3.597
   42   1HG   PRO   6          2HG       PRO   6  -3.573  -6.544   2.879
   43   2HG   PRO   6          1HG       PRO   6  -4.537  -5.834   4.174
   44   1HD   PRO   6          2HD       PRO   6  -5.615  -6.878   1.791
   45   2HD   PRO   6          1HD       PRO   6  -6.451  -5.671   2.787
   46    H    CYS   7           H        CYS   7  -2.058  -2.717   1.358
   47    HA   CYS   7           HA       CYS   7  -1.419  -3.031  -1.435
   48   1HB   CYS   7          2HB       CYS   7  -0.497  -1.190  -0.109
   49   2HB   CYS   7          1HB       CYS   7   0.357  -2.310   0.922
   50    H    THR   8           H        THR   8   0.217  -4.393   1.379
   51    HA   THR   8           HA       THR   8   1.692  -6.190   1.563
   52    HB   THR   8           HB       THR   8   0.299  -8.401   0.916
   53    HG1  THR   8           HG1      THR   8  -1.594  -6.298   0.672
   54   1HG2  THR   8          1HG2      THR   8   0.454  -7.347   3.172
   55   2HG2  THR   8          2HG2      THR   8  -1.190  -7.905   2.835
   56   3HG2  THR   8          3HG2      THR   8  -0.783  -6.187   2.701
   57    H    VAL   9           H        VAL   9   2.270  -4.854  -0.692
   58    HA   VAL   9           HA       VAL   9   3.542  -7.009  -2.279
   59    HB   VAL   9           HB       VAL   9   1.836  -4.707  -3.369
   60   1HG1  VAL   9          1HG1      VAL   9   3.269  -4.435  -5.123
   61   2HG1  VAL   9          2HG1      VAL   9   2.908  -6.074  -5.621
   62   3HG1  VAL   9          3HG1      VAL   9   4.294  -5.760  -4.604
   63   1HG2  VAL   9          1HG2      VAL   9   1.883  -7.698  -3.989
   64   2HG2  VAL   9          2HG2      VAL   9   0.732  -6.543  -4.636
   65   3HG2  VAL   9          3HG2      VAL   9   0.730  -6.919  -2.928
   66    H    THR  10           H        THR  10   3.299  -3.489  -2.338
   67    HA   THR  10           HA       THR  10   6.272  -3.230  -2.363
   68    HB   THR  10           HB       THR  10   5.726  -0.788  -2.798
   69    HG1  THR  10           HG1      THR  10   3.128  -1.928  -2.928
   70   1HG2  THR  10          1HG2      THR  10   5.762  -1.469  -5.019
   71   2HG2  THR  10          2HG2      THR  10   4.059  -1.880  -4.913
   72   3HG2  THR  10          3HG2      THR  10   5.278  -3.089  -4.567
   73    H    ALA  11           H        ALA  11   3.795  -3.393  -0.150
   74    HA   ALA  11           HA       ALA  11   4.329  -1.397   1.712
   75   1HB   ALA  11          1HB       ALA  11   3.183  -2.904   3.325
   76   2HB   ALA  11          2HB       ALA  11   3.363  -4.237   2.193
   77   3HB   ALA  11          3HB       ALA  11   2.348  -2.864   1.782
   78    H    LEU  12           H        LEU  12   6.200  -4.133   0.888
   79    HA   LEU  12           HA       LEU  12   7.529  -4.792   3.227
   80   1HB   LEU  12          2HB       LEU  12   9.347  -5.646   1.750
   81   2HB   LEU  12          1HB       LEU  12   7.755  -6.103   1.204
   82    HG   LEU  12           HG       LEU  12   8.067  -3.764  -0.231
   83   1HD1  LEU  12          1HD1      LEU  12  10.341  -3.536  -1.027
   84   2HD1  LEU  12          2HD1      LEU  12  10.856  -5.002  -0.213
   85   3HD1  LEU  12          3HD1      LEU  12  10.473  -3.571   0.720
   86   1HD2  LEU  12          1HD2      LEU  12   7.619  -6.264  -0.959
   87   2HD2  LEU  12          2HD2      LEU  12   9.335  -6.296  -1.305
   88   3HD2  LEU  12          3HD2      LEU  12   8.298  -5.143  -2.125
   89    H    LEU  13           H        LEU  13   8.201  -2.110   1.049
   90    HA   LEU  13           HA       LEU  13  10.561  -1.372   2.525
   91   1HB   LEU  13          2HB       LEU  13  10.818   0.410   0.831
   92   2HB   LEU  13          1HB       LEU  13  10.638  -1.163   0.108
   93    HG   LEU  13           HG       LEU  13   8.006  -0.004   0.464
   94   1HD1  LEU  13          1HD1      LEU  13   9.582   1.695  -1.471
   95   2HD1  LEU  13          2HD1      LEU  13   9.636   2.125   0.225
   96   3HD1  LEU  13          3HD1      LEU  13   8.098   2.069  -0.615
   97   1HD2  LEU  13          1HD2      LEU  13   8.625  -1.766  -1.207
   98   2HD2  LEU  13          2HD2      LEU  13   9.630  -0.608  -2.058
   99   3HD2  LEU  13          3HD2      LEU  13   7.890  -0.386  -2.004
  100    H    GLY  14           H        GLY  14   7.291  -0.819   2.689
  101   1HA   GLY  14          2HA       GLY  14   6.524   0.351   4.764
  102   2HA   GLY  14          1HA       GLY  14   7.601   1.667   4.331
  103    H    CYS  15           H        CYS  15   5.824   0.086   1.795
  104    HA   CYS  15           HA       CYS  15   4.410   2.607   1.272
  105   1HB   CYS  15          2HB       CYS  15   5.467   0.714  -0.358
  106   2HB   CYS  15          1HB       CYS  15   3.797   0.231  -0.417
  107    H    SER  16           H        SER  16   3.177   2.725   3.010
  108    HA   SER  16           HA       SER  16   1.153   0.932   3.916
  109   1HB   SER  16          2HB       SER  16   1.492   3.941   4.234
  110   2HB   SER  16          1HB       SER  16   0.284   2.992   5.116
  111    HG   SER  16           HG       SER  16   1.988   1.666   5.862
  112    H    CYS  17           H        CYS  17  -0.786   0.509   3.149
  113    HA   CYS  17           HA       CYS  17  -1.741   1.550   0.673
  114   1HB   CYS  17          2HB       CYS  17  -2.380  -0.658   1.419
  115   2HB   CYS  17          1HB       CYS  17  -3.159  -0.014   2.844
  116    H    SER  18           H        SER  18  -1.789   3.777   0.856
  117    HA   SER  18           HA       SER  18  -3.854   5.043   2.597
  118   1HB   SER  18          2HB       SER  18  -1.780   6.408   0.791
  119   2HB   SER  18          1HB       SER  18  -2.715   7.155   2.094
  120    HG   SER  18           HG       SER  18  -0.711   5.177   2.256
  121    H    ASN  19           H        ASN  19  -5.720   5.671   1.690
  122    HA   ASN  19           HA       ASN  19  -7.467   5.774   0.164
  123   1HB   ASN  19          2HB       ASN  19  -7.054   7.355  -1.718
  124   2HB   ASN  19          1HB       ASN  19  -6.344   7.967  -0.242
  125   1HD2  ASN  19          1HD2      ASN  19  -4.034   8.168  -0.140
  126   2HD2  ASN  19          2HD2      ASN  19  -3.048   7.965  -1.508
  127    H    ARG  20           H        ARG  20  -6.274   3.444   0.194
  128    HA   ARG  20           HA       ARG  20  -6.030   1.410  -0.852
  129   1HB   ARG  20          2HB       ARG  20  -8.056   2.872  -2.559
  130   2HB   ARG  20          1HB       ARG  20  -7.518   1.292  -3.074
  131   1HG   ARG  20          2HG       ARG  20  -8.621   0.191  -1.408
  132   2HG   ARG  20          1HG       ARG  20  -8.200   1.327  -0.178
  133   1HD   ARG  20          2HD       ARG  20 -10.269   1.855  -2.359
  134   2HD   ARG  20          1HD       ARG  20 -10.685   1.261  -0.756
  135    HE   ARG  20           HE       ARG  20  -9.965   3.992  -1.444
  136   1HH1  ARG  20          2HH1      ARG  20  -9.859   1.602   1.065
  137   2HH1  ARG  20          1HH1      ARG  20  -9.785   2.778   2.334
  138   1HH2  ARG  20          1HH2      ARG  20  -9.873   5.493   0.146
  139   2HH2  ARG  20          2HH2      ARG  20  -9.794   5.011   1.809
  140    H    VAL  21           H        VAL  21  -4.112   3.309  -1.376
  141    HA   VAL  21           HA       VAL  21  -2.856   2.215  -3.849
  142    HB   VAL  21           HB       VAL  21  -3.060   5.164  -3.038
  143   1HG1  VAL  21          1HG1      VAL  21  -0.712   4.825  -3.657
  144   2HG1  VAL  21          2HG1      VAL  21  -1.508   5.585  -5.019
  145   3HG1  VAL  21          3HG1      VAL  21  -1.168   3.863  -5.053
  146   1HG2  VAL  21          1HG2      VAL  21  -3.894   5.389  -5.394
  147   2HG2  VAL  21          2HG2      VAL  21  -4.896   4.284  -4.471
  148   3HG2  VAL  21          3HG2      VAL  21  -3.720   3.656  -5.612
  149    H    CYS  22           H        CYS  22  -0.828   1.475  -3.416
  150    HA   CYS  22           HA       CYS  22   0.208   1.383  -0.754
  151   1HB   CYS  22          2HB       CYS  22   1.699   1.152  -3.380
  152   2HB   CYS  22          1HB       CYS  22   2.293   0.632  -1.831
  153    H    TYR  23           H        TYR  23   1.193   2.961   0.376
  154    HA   TYR  23           HA       TYR  23   2.593   5.152  -1.058
  155   1HB   TYR  23          2HB       TYR  23   0.089   5.356   0.355
  156   2HB   TYR  23          1HB       TYR  23   1.266   6.357   1.182
  157    HD1  TYR  23           HD1      TYR  23  -0.877   6.108  -1.664
  158    HD2  TYR  23           HD2      TYR  23   2.716   7.922  -0.270
  159    HE1  TYR  23           HE1      TYR  23  -1.043   7.781  -3.427
  160    HE2  TYR  23           HE2      TYR  23   2.556   9.598  -2.029
  161    HH   TYR  23           HH       TYR  23   1.236   9.480  -4.570
  162    H    ASN  24           H        ASN  24   4.500   5.648  -0.391
  163    HA   ASN  24           HA       ASN  24   5.250   5.369   2.492
  164   1HB   ASN  24          2HB       ASN  24   6.171   3.444   0.878
  165   2HB   ASN  24          1HB       ASN  24   7.227   4.670   0.239
  166   1HD2  ASN  24          1HD2      ASN  24   8.247   2.484   1.456
  167   2HD2  ASN  24          2HD2      ASN  24   9.017   2.978   2.880
  168    H    GLY  25           H        GLY  25   4.332   7.618   1.680
  169   1HA   GLY  25          2HA       GLY  25   4.945   9.874   1.865
  170   2HA   GLY  25          1HA       GLY  25   6.598   9.398   1.445
  171    H    ILE  26           H        ILE  26   6.298   7.915  -0.684
  172    HA   ILE  26           HA       ILE  26   4.902   9.385  -2.830
  173    HB   ILE  26           HB       ILE  26   6.969   8.433  -4.165
  174   1HG1  ILE  26          2HG1      ILE  26   8.482   8.815  -1.568
  175   2HG1  ILE  26          1HG1      ILE  26   7.797   7.247  -1.937
  176   1HG2  ILE  26          1HG2      ILE  26   6.500  10.855  -3.857
  177   2HG2  ILE  26          2HG2      ILE  26   8.227  10.555  -3.760
  178   3HG2  ILE  26          3HG2      ILE  26   7.298  10.817  -2.292
  179   1HD1  ILE  26          1HD1      ILE  26  10.122   7.375  -2.736
  180   2HD1  ILE  26          2HD1      ILE  26   9.725   8.762  -3.736
  181   3HD1  ILE  26          3HD1      ILE  26   9.021   7.190  -4.091
  182    HA   PRO  27           HA       PRO  27   3.102   5.429  -3.211
  183   1HB   PRO  27          2HB       PRO  27   2.524   5.278  -5.899
  184   2HB   PRO  27          1HB       PRO  27   1.577   6.171  -4.736
  185   1HG   PRO  27          2HG       PRO  27   3.436   7.149  -6.663
  186   2HG   PRO  27          1HG       PRO  27   2.038   7.953  -5.987
  187   1HD   PRO  27          2HD       PRO  27   4.624   8.590  -5.251
  188   2HD   PRO  27          1HD       PRO  27   3.209   8.848  -4.209
  189    H    CYS  28           H        CYS  28   3.173   3.378  -4.604
  190    HA   CYS  28           HA       CYS  28   5.820   2.744  -5.784
  191   1HB   CYS  28          2HB       CYS  28   4.712   0.884  -3.684
  192   2HB   CYS  28          1HB       CYS  28   6.360   1.016  -4.225
  193    H    ALA  29           H        ALA  29   3.029   3.039  -6.603
  194    HA   ALA  29           HA       ALA  29   1.530   2.074  -8.084
  195   1HB   ALA  29          1HB       ALA  29   2.411   0.544  -9.669
  196   2HB   ALA  29          2HB       ALA  29   3.405  -0.285  -8.486
  197   3HB   ALA  29          3HB       ALA  29   3.874   1.303  -9.073
  198    H    GLU  30           H        GLU  30   0.577  -0.285  -8.588
  199    HA   GLU  30           HA       GLU  30  -0.715  -2.057  -7.859
  200   1HB   GLU  30          2HB       GLU  30   1.527  -2.763  -6.746
  201   2HB   GLU  30          1HB       GLU  30   0.924  -2.055  -5.265
  202   1HG   GLU  30          2HG       GLU  30   0.261  -4.287  -5.016
  203   2HG   GLU  30          1HG       GLU  30  -1.199  -3.560  -5.649
  Start of MODEL   13
    1    H    SER   1           H        SER   1  -2.641  -1.443  -7.470
    2    HA   SER   1           HA       SER   1  -3.190   0.448  -5.269
    3   1HB   SER   1          2HB       SER   1  -4.917  -0.839  -7.419
    4   2HB   SER   1          1HB       SER   1  -5.627   0.078  -6.077
    5    HG   SER   1           HG       SER   1  -4.266   1.796  -6.601
    6    H    CYS   2           H        CYS   2  -4.305   0.016  -3.527
    7    HA   CYS   2           HA       CYS   2  -4.461  -2.792  -2.551
    8   1HB   CYS   2          2HB       CYS   2  -4.637  -1.199  -0.360
    9   2HB   CYS   2          1HB       CYS   2  -3.186  -1.844  -1.077
   10    H    VAL   3           H        VAL   3  -6.378  -1.929  -4.249
   11    HA   VAL   3           HA       VAL   3  -8.733  -0.766  -3.692
   12    HB   VAL   3           HB       VAL   3  -8.660  -3.623  -4.718
   13   1HG1  VAL   3          1HG1      VAL   3 -10.649  -2.953  -5.973
   14   2HG1  VAL   3          2HG1      VAL   3 -10.496  -1.287  -5.423
   15   3HG1  VAL   3          3HG1      VAL   3 -10.927  -2.555  -4.290
   16   1HG2  VAL   3          1HG2      VAL   3  -7.923  -1.006  -6.037
   17   2HG2  VAL   3          2HG2      VAL   3  -8.418  -2.422  -6.966
   18   3HG2  VAL   3          3HG2      VAL   3  -6.986  -2.493  -5.951
   19    H    TYR   4           H        TYR   4  -7.981  -4.005  -2.564
   20    HA   TYR   4           HA       TYR   4 -10.063  -3.724  -0.446
   21   1HB   TYR   4          2HB       TYR   4  -9.307  -6.025  -2.276
   22   2HB   TYR   4          1HB       TYR   4  -9.987  -6.313  -0.691
   23    HD1  TYR   4           HD1      TYR   4 -12.302  -5.483  -0.157
   24    HD2  TYR   4           HD2      TYR   4 -10.662  -5.111  -4.071
   25    HE1  TYR   4           HE1      TYR   4 -14.534  -5.030  -1.053
   26    HE2  TYR   4           HE2      TYR   4 -12.897  -4.657  -4.962
   27    HH   TYR   4           HH       TYR   4 -15.512  -5.397  -3.829
   28    H    ILE   5           H        ILE   5  -7.304  -5.572  -1.518
   29    HA   ILE   5           HA       ILE   5  -6.277  -6.307   0.959
   30    HB   ILE   5           HB       ILE   5  -4.084  -6.489  -0.439
   31   1HG1  ILE   5          2HG1      ILE   5  -5.513  -6.565  -2.988
   32   2HG1  ILE   5          1HG1      ILE   5  -5.605  -4.958  -2.306
   33   1HG2  ILE   5          1HG2      ILE   5  -5.552  -8.398   0.116
   34   2HG2  ILE   5          2HG2      ILE   5  -4.938  -8.563  -1.521
   35   3HG2  ILE   5          3HG2      ILE   5  -6.587  -8.014  -1.251
   36   1HD1  ILE   5          1HD1      ILE   5  -3.148  -4.925  -1.997
   37   2HD1  ILE   5          2HD1      ILE   5  -3.594  -5.146  -3.680
   38   3HD1  ILE   5          3HD1      ILE   5  -3.039  -6.519  -2.735
   39    HA   PRO   6           HA       PRO   6  -4.584  -2.422   2.507
   40   1HB   PRO   6          2HB       PRO   6  -2.311  -4.118   3.491
   41   2HB   PRO   6          1HB       PRO   6  -3.343  -3.015   4.393
   42   1HG   PRO   6          2HG       PRO   6  -3.595  -5.796   4.410
   43   2HG   PRO   6          1HG       PRO   6  -4.866  -4.674   4.877
   44   1HD   PRO   6          2HD       PRO   6  -4.738  -6.371   2.478
   45   2HD   PRO   6          1HD       PRO   6  -6.109  -5.406   3.050
   46    H    CYS   7           H        CYS   7  -2.377  -4.688   0.984
   47    HA   CYS   7           HA       CYS   7  -1.574  -3.023  -1.145
   48   1HB   CYS   7          2HB       CYS   7  -0.449  -1.696   0.638
   49   2HB   CYS   7          1HB       CYS   7   0.439  -3.110   1.134
   50    H    THR   8           H        THR   8  -0.091  -5.177   1.158
   51    HA   THR   8           HA       THR   8   1.253  -7.043   0.918
   52    HB   THR   8           HB       THR   8  -0.144  -8.978  -0.013
   53    HG1  THR   8           HG1      THR   8  -1.822  -6.823  -0.807
   54   1HG2  THR   8          1HG2      THR   8  -2.053  -8.606   1.411
   55   2HG2  THR   8          2HG2      THR   8  -1.885  -6.851   1.279
   56   3HG2  THR   8          3HG2      THR   8  -0.696  -7.783   2.186
   57    H    VAL   9           H        VAL   9   1.974  -5.199  -0.970
   58    HA   VAL   9           HA       VAL   9   3.292  -7.041  -2.845
   59    HB   VAL   9           HB       VAL   9   1.614  -4.617  -3.690
   60   1HG1  VAL   9          1HG1      VAL   9   3.861  -5.993  -5.202
   61   2HG1  VAL   9          2HG1      VAL   9   3.514  -4.276  -5.068
   62   3HG1  VAL   9          3HG1      VAL   9   2.517  -5.291  -6.086
   63   1HG2  VAL   9          1HG2      VAL   9   1.603  -7.585  -4.408
   64   2HG2  VAL   9          2HG2      VAL   9   0.678  -6.404  -5.312
   65   3HG2  VAL   9          3HG2      VAL   9   0.322  -6.680  -3.623
   66    H    THR  10           H        THR  10   2.977  -3.574  -2.282
   67    HA   THR  10           HA       THR  10   5.949  -3.252  -2.342
   68    HB   THR  10           HB       THR  10   5.314  -0.745  -2.383
   69    HG1  THR  10           HG1      THR  10   2.806  -1.984  -2.834
   70   1HG2  THR  10          1HG2      THR  10   4.981  -2.803  -4.496
   71   2HG2  THR  10          2HG2      THR  10   5.611  -1.180  -4.643
   72   3HG2  THR  10          3HG2      THR  10   3.881  -1.463  -4.746
   73    H    ALA  11           H        ALA  11   3.649  -3.892  -0.100
   74    HA   ALA  11           HA       ALA  11   4.121  -2.101   1.996
   75   1HB   ALA  11          1HB       ALA  11   2.257  -3.678   2.071
   76   2HB   ALA  11          2HB       ALA  11   3.283  -4.006   3.455
   77   3HB   ALA  11          3HB       ALA  11   3.356  -5.046   2.040
   78    H    LEU  12           H        LEU  12   6.065  -4.479   0.620
   79    HA   LEU  12           HA       LEU  12   7.690  -5.444   2.640
   80   1HB   LEU  12          2HB       LEU  12   8.458  -4.744  -0.219
   81   2HB   LEU  12          1HB       LEU  12   9.369  -5.824   0.815
   82    HG   LEU  12           HG       LEU  12   6.437  -6.326   0.087
   83   1HD1  LEU  12          1HD1      LEU  12   7.258  -7.894  -1.617
   84   2HD1  LEU  12          2HD1      LEU  12   8.924  -7.499  -1.226
   85   3HD1  LEU  12          3HD1      LEU  12   7.882  -6.291  -1.960
   86   1HD2  LEU  12          1HD2      LEU  12   7.151  -8.710   0.717
   87   2HD2  LEU  12          2HD2      LEU  12   7.085  -7.582   2.056
   88   3HD2  LEU  12          3HD2      LEU  12   8.634  -8.021   1.354
   89    H    LEU  13           H        LEU  13   8.057  -2.484   0.758
   90    HA   LEU  13           HA       LEU  13  10.389  -1.710   2.256
   91   1HB   LEU  13          2HB       LEU  13  10.580   0.136   0.681
   92   2HB   LEU  13          1HB       LEU  13  10.314  -1.356  -0.178
   93    HG   LEU  13           HG       LEU  13   7.749  -0.126   0.469
   94   1HD1  LEU  13          1HD1      LEU  13   9.345   1.955   0.303
   95   2HD1  LEU  13          2HD1      LEU  13   7.883   1.971  -0.665
   96   3HD1  LEU  13          3HD1      LEU  13   9.425   1.585  -1.407
   97   1HD2  LEU  13          1HD2      LEU  13   9.135  -0.669  -2.201
   98   2HD2  LEU  13          2HD2      LEU  13   7.424  -0.345  -1.996
   99   3HD2  LEU  13          3HD2      LEU  13   8.125  -1.816  -1.336
  100    H    GLY  14           H        GLY  14   7.272  -1.633   2.910
  101   1HA   GLY  14          2HA       GLY  14   6.255  -0.631   4.804
  102   2HA   GLY  14          1HA       GLY  14   7.475   0.630   4.795
  103    H    CYS  15           H        CYS  15   5.566  -0.352   1.997
  104    HA   CYS  15           HA       CYS  15   4.667   2.415   1.656
  105   1HB   CYS  15          2HB       CYS  15   5.325   0.611  -0.152
  106   2HB   CYS  15          1HB       CYS  15   3.657   0.126  -0.038
  107    H    SER  16           H        SER  16   3.387   2.878   3.275
  108    HA   SER  16           HA       SER  16   1.083   1.382   4.178
  109   1HB   SER  16          2HB       SER  16   1.847   4.295   4.577
  110   2HB   SER  16          1HB       SER  16   0.568   3.441   5.464
  111    HG   SER  16           HG       SER  16   2.332   3.095   6.697
  112    H    CYS  17           H        CYS  17  -0.701   1.227   3.109
  113    HA   CYS  17           HA       CYS  17  -1.338   2.748   0.776
  114   1HB   CYS  17          2HB       CYS  17  -2.029   0.493   1.163
  115   2HB   CYS  17          1HB       CYS  17  -3.123   0.977   2.439
  116    H    SER  18           H        SER  18  -2.842   4.074   0.263
  117    HA   SER  18           HA       SER  18  -4.598   5.468   2.163
  118   1HB   SER  18          2HB       SER  18  -3.676   7.733   1.387
  119   2HB   SER  18          1HB       SER  18  -2.434   6.812   2.249
  120    HG   SER  18           HG       SER  18  -1.411   7.166   0.426
  121    H    ASN  19           H        ASN  19  -6.432   6.017   1.046
  122    HA   ASN  19           HA       ASN  19  -8.036   5.845  -0.627
  123   1HB   ASN  19          2HB       ASN  19  -7.486   7.173  -2.678
  124   2HB   ASN  19          1HB       ASN  19  -7.061   8.045  -1.219
  125   1HD2  ASN  19          1HD2      ASN  19  -4.790   8.425  -0.813
  126   2HD2  ASN  19          2HD2      ASN  19  -3.612   8.168  -2.008
  127    H    ARG  20           H        ARG  20  -6.603   3.608  -0.254
  128    HA   ARG  20           HA       ARG  20  -6.131   1.501  -1.080
  129   1HB   ARG  20          2HB       ARG  20  -8.238   2.584  -2.957
  130   2HB   ARG  20          1HB       ARG  20  -7.498   1.055  -3.358
  131   1HG   ARG  20          2HG       ARG  20  -8.471  -0.083  -1.629
  132   2HG   ARG  20          1HG       ARG  20  -8.282   1.186  -0.479
  133   1HD   ARG  20          2HD       ARG  20 -10.386   0.988  -2.684
  134   2HD   ARG  20          1HD       ARG  20 -10.684   0.849  -0.957
  135    HE   ARG  20           HE       ARG  20 -10.451   3.307  -2.457
  136   1HH1  ARG  20          2HH1      ARG  20  -9.774   1.868   0.624
  137   2HH1  ARG  20          1HH1      ARG  20  -9.831   3.380   1.464
  138   1HH2  ARG  20          1HH2      ARG  20 -10.528   5.222  -1.415
  139   2HH2  ARG  20          2HH2      ARG  20 -10.266   5.307   0.295
  140    H    VAL  21           H        VAL  21  -4.287   3.411  -1.630
  141    HA   VAL  21           HA       VAL  21  -2.884   2.295  -4.014
  142    HB   VAL  21           HB       VAL  21  -3.159   5.261  -3.250
  143   1HG1  VAL  21          1HG1      VAL  21  -1.225   3.933  -5.199
  144   2HG1  VAL  21          2HG1      VAL  21  -0.815   4.942  -3.819
  145   3HG1  VAL  21          3HG1      VAL  21  -1.588   5.651  -5.221
  146   1HG2  VAL  21          1HG2      VAL  21  -4.973   4.324  -4.705
  147   2HG2  VAL  21          2HG2      VAL  21  -3.764   3.744  -5.836
  148   3HG2  VAL  21          3HG2      VAL  21  -3.988   5.468  -5.597
  149    H    CYS  22           H        CYS  22  -1.066   1.318  -3.133
  150    HA   CYS  22           HA       CYS  22  -0.176   1.553  -0.463
  151   1HB   CYS  22          2HB       CYS  22   1.619   1.022  -2.847
  152   2HB   CYS  22          1HB       CYS  22   1.906   0.558  -1.197
  153    H    TYR  23           H        TYR  23   1.053   3.097   0.613
  154    HA   TYR  23           HA       TYR  23   2.431   5.174  -1.010
  155   1HB   TYR  23          2HB       TYR  23  -0.007   5.534   0.418
  156   2HB   TYR  23          1HB       TYR  23   1.210   6.421   1.307
  157    HD1  TYR  23           HD1      TYR  23   2.497   8.222   0.204
  158    HD2  TYR  23           HD2      TYR  23  -0.644   6.177  -1.815
  159    HE1  TYR  23           HE1      TYR  23   2.416   9.997  -1.459
  160    HE2  TYR  23           HE2      TYR  23  -0.733   7.943  -3.483
  161    HH   TYR  23           HH       TYR  23   1.683  10.383  -3.723
  162    H    ASN  24           H        ASN  24   4.341   5.818  -0.409
  163    HA   ASN  24           HA       ASN  24   5.203   5.537   2.430
  164   1HB   ASN  24          2HB       ASN  24   5.945   3.597   0.636
  165   2HB   ASN  24          1HB       ASN  24   7.211   4.731   0.275
  166   1HD2  ASN  24          1HD2      ASN  24   7.759   2.303   1.360
  167   2HD2  ASN  24          2HD2      ASN  24   8.411   2.556   2.903
  168    H    GLY  25           H        GLY  25   4.414   7.797   1.794
  169   1HA   GLY  25          2HA       GLY  25   5.129  10.014   1.928
  170   2HA   GLY  25          1HA       GLY  25   6.715   9.480   1.370
  171    H    ILE  26           H        ILE  26   5.906   7.994  -0.751
  172    HA   ILE  26           HA       ILE  26   4.361   9.538  -2.700
  173    HB   ILE  26           HB       ILE  26   7.000  10.125  -2.580
  174   1HG1  ILE  26          2HG1      ILE  26   6.195   9.496  -5.408
  175   2HG1  ILE  26          1HG1      ILE  26   5.154  10.583  -4.510
  176   1HG2  ILE  26          1HG2      ILE  26   7.111   7.615  -4.297
  177   2HG2  ILE  26          2HG2      ILE  26   7.728   7.731  -2.655
  178   3HG2  ILE  26          3HG2      ILE  26   8.442   8.699  -3.931
  179   1HD1  ILE  26          1HD1      ILE  26   7.113  12.027  -3.986
  180   2HD1  ILE  26          2HD1      ILE  26   6.881  11.852  -5.718
  181   3HD1  ILE  26          3HD1      ILE  26   8.149  10.946  -4.907
  182    HA   PRO  27           HA       PRO  27   2.942   5.522  -3.105
  183   1HB   PRO  27          2HB       PRO  27   2.373   5.201  -5.787
  184   2HB   PRO  27          1HB       PRO  27   1.359   6.032  -4.638
  185   1HG   PRO  27          2HG       PRO  27   3.038   7.121  -6.651
  186   2HG   PRO  27          1HG       PRO  27   1.631   7.826  -5.890
  187   1HD   PRO  27          2HD       PRO  27   4.222   8.628  -5.356
  188   2HD   PRO  27          1HD       PRO  27   2.864   8.895  -4.251
  189    H    CYS  28           H        CYS  28   3.111   3.411  -4.376
  190    HA   CYS  28           HA       CYS  28   5.872   2.876  -5.391
  191   1HB   CYS  28          2HB       CYS  28   4.529   0.978  -3.470
  192   2HB   CYS  28          1HB       CYS  28   6.225   1.090  -3.846
  193    H    ALA  29           H        ALA  29   3.056   3.090  -6.411
  194    HA   ALA  29           HA       ALA  29   1.815   2.151  -8.135
  195   1HB   ALA  29          1HB       ALA  29   3.692  -0.215  -8.413
  196   2HB   ALA  29          2HB       ALA  29   4.314   1.378  -8.818
  197   3HB   ALA  29          3HB       ALA  29   2.915   0.741  -9.663
  198    H    GLU  30           H        GLU  30   0.742  -0.009  -8.709
  199    HA   GLU  30           HA       GLU  30  -0.658  -1.755  -8.139
  200   1HB   GLU  30          2HB       GLU  30   1.470  -2.804  -7.202
  201   2HB   GLU  30          1HB       GLU  30   1.093  -2.110  -5.640
  202   1HG   GLU  30          2HG       GLU  30   0.182  -4.265  -5.451
  203   2HG   GLU  30          1HG       GLU  30  -1.225  -3.317  -5.864
  Start of MODEL   14
    1    H    SER   1           H        SER   1  -2.875  -1.125  -7.569
    2    HA   SER   1           HA       SER   1  -3.416   0.655  -5.275
    3   1HB   SER   1          2HB       SER   1  -5.081  -0.356  -7.621
    4   2HB   SER   1          1HB       SER   1  -5.843   0.464  -6.247
    5    HG   SER   1           HG       SER   1  -4.462   2.187  -6.540
    6    H    CYS   2           H        CYS   2  -4.402   0.053  -3.496
    7    HA   CYS   2           HA       CYS   2  -4.913  -2.838  -3.012
    8   1HB   CYS   2          2HB       CYS   2  -4.614  -2.062  -0.612
    9   2HB   CYS   2          1HB       CYS   2  -3.202  -1.950  -1.630
   10    H    VAL   3           H        VAL   3  -6.825  -1.935  -4.351
   11    HA   VAL   3           HA       VAL   3  -8.972  -0.463  -3.731
   12    HB   VAL   3           HB       VAL   3  -8.871  -3.281  -4.825
   13   1HG1  VAL   3          1HG1      VAL   3 -11.302  -1.543  -4.361
   14   2HG1  VAL   3          2HG1      VAL   3 -11.165  -3.291  -4.363
   15   3HG1  VAL   3          3HG1      VAL   3 -11.202  -2.416  -5.877
   16   1HG2  VAL   3          1HG2      VAL   3  -9.212  -0.517  -5.986
   17   2HG2  VAL   3          2HG2      VAL   3  -9.156  -2.019  -6.919
   18   3HG2  VAL   3          3HG2      VAL   3  -7.738  -1.485  -6.012
   19    H    TYR   4           H        TYR   4  -9.013  -3.798  -2.762
   20    HA   TYR   4           HA       TYR   4 -10.681  -3.061  -0.345
   21   1HB   TYR   4          2HB       TYR   4 -10.912  -5.259  -2.395
   22   2HB   TYR   4          1HB       TYR   4 -11.111  -5.707  -0.709
   23    HD1  TYR   4           HD1      TYR   4 -13.405  -6.049  -0.383
   24    HD2  TYR   4           HD2      TYR   4 -12.165  -2.556  -2.483
   25    HE1  TYR   4           HE1      TYR   4 -15.712  -5.234  -0.399
   26    HE2  TYR   4           HE2      TYR   4 -14.467  -1.748  -2.497
   27    HH   TYR   4           HH       TYR   4 -16.855  -2.988  -2.368
   28    H    ILE   5           H        ILE   5  -8.537  -5.377  -1.783
   29    HA   ILE   5           HA       ILE   5  -7.447  -6.341   0.634
   30    HB   ILE   5           HB       ILE   5  -5.605  -7.163  -1.107
   31   1HG1  ILE   5          2HG1      ILE   5  -7.821  -6.772  -3.121
   32   2HG1  ILE   5          1HG1      ILE   5  -6.696  -5.459  -2.849
   33   1HG2  ILE   5          1HG2      ILE   5  -8.498  -8.110  -1.166
   34   2HG2  ILE   5          2HG2      ILE   5  -7.268  -8.632  -0.027
   35   3HG2  ILE   5          3HG2      ILE   5  -7.126  -9.058  -1.723
   36   1HD1  ILE   5          1HD1      ILE   5  -4.785  -6.963  -3.336
   37   2HD1  ILE   5          2HD1      ILE   5  -5.903  -6.889  -4.688
   38   3HD1  ILE   5          3HD1      ILE   5  -5.902  -8.289  -3.628
   39    HA   PRO   6           HA       PRO   6  -4.570  -2.888   1.241
   40   1HB   PRO   6          2HB       PRO   6  -2.664  -4.417   2.687
   41   2HB   PRO   6          1HB       PRO   6  -3.929  -3.389   3.335
   42   1HG   PRO   6          2HG       PRO   6  -3.826  -6.306   3.109
   43   2HG   PRO   6          1HG       PRO   6  -4.816  -5.301   4.169
   44   1HD   PRO   6          2HD       PRO   6  -5.773  -6.690   1.894
   45   2HD   PRO   6          1HD       PRO   6  -6.626  -5.324   2.631
   46    H    CYS   7           H        CYS   7  -2.063  -2.719   1.125
   47    HA   CYS   7           HA       CYS   7  -1.333  -3.338  -1.601
   48   1HB   CYS   7          2HB       CYS   7  -0.542  -1.331  -0.383
   49   2HB   CYS   7          1HB       CYS   7   0.411  -2.343   0.673
   50    H    THR   8           H        THR   8   0.136  -4.328   1.436
   51    HA   THR   8           HA       THR   8   1.671  -6.007   1.933
   52    HB   THR   8           HB       THR   8   0.444  -8.326   1.576
   53    HG1  THR   8           HG1      THR   8  -0.661  -7.403  -0.305
   54   1HG2  THR   8          1HG2      THR   8  -1.374  -7.589   3.099
   55   2HG2  THR   8          2HG2      THR   8  -0.987  -5.904   2.720
   56   3HG2  THR   8          3HG2      THR   8   0.184  -6.902   3.573
   57    H    VAL   9           H        VAL   9   2.459  -4.944  -0.367
   58    HA   VAL   9           HA       VAL   9   3.946  -7.207  -1.507
   59    HB   VAL   9           HB       VAL   9   2.196  -5.291  -3.147
   60   1HG1  VAL   9          1HG1      VAL   9   4.514  -7.017  -4.137
   61   2HG1  VAL   9          2HG1      VAL   9   4.336  -5.281  -4.333
   62   3HG1  VAL   9          3HG1      VAL   9   3.279  -6.370  -5.206
   63   1HG2  VAL   9          1HG2      VAL   9   1.544  -7.571  -4.226
   64   2HG2  VAL   9          2HG2      VAL   9   1.014  -7.332  -2.575
   65   3HG2  VAL   9          3HG2      VAL   9   2.422  -8.324  -2.912
   66    H    THR  10           H        THR  10   3.403  -3.792  -2.224
   67    HA   THR  10           HA       THR  10   6.316  -3.243  -2.291
   68    HB   THR  10           HB       THR  10   5.702  -1.009  -3.027
   69    HG1  THR  10           HG1      THR  10   3.421  -0.509  -2.959
   70   1HG2  THR  10          1HG2      THR  10   3.710  -3.087  -4.146
   71   2HG2  THR  10          2HG2      THR  10   5.248  -2.634  -4.867
   72   3HG2  THR  10          3HG2      THR  10   3.916  -1.492  -4.825
   73    H    ALA  11           H        ALA  11   3.822  -3.391  -0.024
   74    HA   ALA  11           HA       ALA  11   4.392  -1.328   1.761
   75   1HB   ALA  11          1HB       ALA  11   3.226  -2.769   3.433
   76   2HB   ALA  11          2HB       ALA  11   3.389  -4.140   2.345
   77   3HB   ALA  11          3HB       ALA  11   2.383  -2.775   1.894
   78    H    LEU  12           H        LEU  12   6.151  -4.109   0.959
   79    HA   LEU  12           HA       LEU  12   7.564  -4.782   3.241
   80   1HB   LEU  12          2HB       LEU  12   8.451  -4.785   0.335
   81   2HB   LEU  12          1HB       LEU  12   9.347  -5.590   1.605
   82    HG   LEU  12           HG       LEU  12   6.423  -6.219   0.976
   83   1HD1  LEU  12          1HD1      LEU  12   8.905  -7.788   0.151
   84   2HD1  LEU  12          2HD1      LEU  12   8.001  -6.753  -0.940
   85   3HD1  LEU  12          3HD1      LEU  12   7.238  -8.173  -0.247
   86   1HD2  LEU  12          1HD2      LEU  12   6.920  -6.945   3.212
   87   2HD2  LEU  12          2HD2      LEU  12   8.528  -7.493   2.768
   88   3HD2  LEU  12          3HD2      LEU  12   7.115  -8.382   2.229
   89    H    LEU  13           H        LEU  13   8.204  -2.180   0.961
   90    HA   LEU  13           HA       LEU  13  10.626  -1.439   2.330
   91   1HB   LEU  13          2HB       LEU  13  10.877   0.262   0.558
   92   2HB   LEU  13          1HB       LEU  13  10.600  -1.326  -0.105
   93    HG   LEU  13           HG       LEU  13   8.052  -0.024   0.317
   94   1HD1  LEU  13          1HD1      LEU  13   9.755   2.010  -0.078
   95   2HD1  LEU  13          2HD1      LEU  13   8.205   1.984  -0.896
   96   3HD1  LEU  13          3HD1      LEU  13   9.658   1.497  -1.748
   97   1HD2  LEU  13          1HD2      LEU  13   7.793  -0.542  -2.107
   98   2HD2  LEU  13          2HD2      LEU  13   8.561  -1.900  -1.299
   99   3HD2  LEU  13          3HD2      LEU  13   9.523  -0.791  -2.258
  100    H    GLY  14           H        GLY  14   7.372  -0.818   2.601
  101   1HA   GLY  14          2HA       GLY  14   6.749   0.447   4.685
  102   2HA   GLY  14          1HA       GLY  14   7.789   1.736   4.112
  103    H    CYS  15           H        CYS  15   5.907   0.115   1.712
  104    HA   CYS  15           HA       CYS  15   4.405   2.591   1.257
  105   1HB   CYS  15          2HB       CYS  15   5.392   0.634  -0.397
  106   2HB   CYS  15          1HB       CYS  15   3.696   0.247  -0.393
  107    H    SER  16           H        SER  16   3.160   2.771   2.966
  108    HA   SER  16           HA       SER  16   1.205   0.889   3.923
  109   1HB   SER  16          2HB       SER  16   1.475   3.901   4.286
  110   2HB   SER  16          1HB       SER  16   0.332   2.894   5.190
  111    HG   SER  16           HG       SER  16   2.104   1.624   5.862
  112    H    CYS  17           H        CYS  17  -0.729   0.452   3.135
  113    HA   CYS  17           HA       CYS  17  -1.699   1.520   0.679
  114   1HB   CYS  17          2HB       CYS  17  -2.349  -0.688   1.354
  115   2HB   CYS  17          1HB       CYS  17  -3.061  -0.103   2.837
  116    H    SER  18           H        SER  18  -1.804   3.726   0.827
  117    HA   SER  18           HA       SER  18  -3.891   4.948   2.579
  118   1HB   SER  18          2HB       SER  18  -1.512   5.931   2.636
  119   2HB   SER  18          1HB       SER  18  -1.743   6.396   0.941
  120    HG   SER  18           HG       SER  18  -3.514   7.030   3.059
  121    H    ASN  19           H        ASN  19  -5.650   5.764   1.651
  122    HA   ASN  19           HA       ASN  19  -7.348   6.025   0.103
  123   1HB   ASN  19          2HB       ASN  19  -6.799   7.643  -1.705
  124   2HB   ASN  19          1HB       ASN  19  -6.027   8.127  -0.215
  125   1HD2  ASN  19          1HD2      ASN  19  -3.711   8.135  -0.126
  126   2HD2  ASN  19          2HD2      ASN  19  -2.753   7.894  -1.506
  127    H    ARG  20           H        ARG  20  -6.308   3.600   0.087
  128    HA   ARG  20           HA       ARG  20  -6.223   1.578  -1.028
  129   1HB   ARG  20          2HB       ARG  20  -8.215   3.279  -2.471
  130   2HB   ARG  20          1HB       ARG  20  -7.665   1.912  -3.406
  131   1HG   ARG  20          2HG       ARG  20  -8.465   0.339  -1.877
  132   2HG   ARG  20          1HG       ARG  20  -8.547   1.418  -0.532
  133   1HD   ARG  20          2HD       ARG  20 -10.827   1.069  -1.388
  134   2HD   ARG  20          1HD       ARG  20 -10.372   2.723  -1.784
  135    HE   ARG  20           HE       ARG  20  -9.593   1.452  -4.029
  136   1HH1  ARG  20          2HH1      ARG  20 -12.517   1.207  -2.169
  137   2HH1  ARG  20          1HH1      ARG  20 -13.478   0.795  -3.546
  138   1HH2  ARG  20          1HH2      ARG  20 -10.795   0.937  -5.768
  139   2HH2  ARG  20          2HH2      ARG  20 -12.495   0.641  -5.611
  140    H    VAL  21           H        VAL  21  -4.181   3.386  -1.469
  141    HA   VAL  21           HA       VAL  21  -2.932   2.258  -3.931
  142    HB   VAL  21           HB       VAL  21  -2.954   5.193  -3.067
  143   1HG1  VAL  21          1HG1      VAL  21  -0.660   4.760  -3.730
  144   2HG1  VAL  21          2HG1      VAL  21  -1.426   5.527  -5.104
  145   3HG1  VAL  21          3HG1      VAL  21  -1.167   3.790  -5.103
  146   1HG2  VAL  21          1HG2      VAL  21  -3.734   3.844  -5.691
  147   2HG2  VAL  21          2HG2      VAL  21  -3.849   5.563  -5.351
  148   3HG2  VAL  21          3HG2      VAL  21  -4.873   4.430  -4.490
  149    H    CYS  22           H        CYS  22  -0.828   1.553  -3.562
  150    HA   CYS  22           HA       CYS  22   0.114   1.325  -0.851
  151   1HB   CYS  22          2HB       CYS  22   1.740   1.190  -3.411
  152   2HB   CYS  22          1HB       CYS  22   2.206   0.583  -1.850
  153    H    TYR  23           H        TYR  23   1.132   2.870   0.343
  154    HA   TYR  23           HA       TYR  23   2.494   5.108  -1.059
  155   1HB   TYR  23          2HB       TYR  23  -0.005   5.260   0.318
  156   2HB   TYR  23          1HB       TYR  23   1.142   6.212   1.237
  157    HD1  TYR  23           HD1      TYR  23  -0.865   6.068  -1.728
  158    HD2  TYR  23           HD2      TYR  23   2.572   7.930  -0.033
  159    HE1  TYR  23           HE1      TYR  23  -1.010   7.843  -3.391
  160    HE2  TYR  23           HE2      TYR  23   2.429   9.708  -1.692
  161    HH   TYR  23           HH       TYR  23   0.335  10.704  -3.153
  162    H    ASN  24           H        ASN  24   4.467   5.358  -0.489
  163    HA   ASN  24           HA       ASN  24   5.262   5.099   2.395
  164   1HB   ASN  24          2HB       ASN  24   6.216   3.300   0.670
  165   2HB   ASN  24          1HB       ASN  24   7.190   4.604   0.051
  166   1HD2  ASN  24          1HD2      ASN  24   8.375   2.434   1.124
  167   2HD2  ASN  24          2HD2      ASN  24   9.158   2.898   2.550
  168    H    GLY  25           H        GLY  25   4.242   7.367   1.738
  169   1HA   GLY  25          2HA       GLY  25   4.771   9.626   2.021
  170   2HA   GLY  25          1HA       GLY  25   6.438   9.233   1.604
  171    H    ILE  26           H        ILE  26   5.879   7.744  -0.644
  172    HA   ILE  26           HA       ILE  26   4.457   9.332  -2.655
  173    HB   ILE  26           HB       ILE  26   7.057   9.943  -2.325
  174   1HG1  ILE  26          2HG1      ILE  26   6.365   9.334  -5.208
  175   2HG1  ILE  26          1HG1      ILE  26   5.398  10.504  -4.331
  176   1HG2  ILE  26          1HG2      ILE  26   7.839   7.572  -2.397
  177   2HG2  ILE  26          2HG2      ILE  26   8.609   8.563  -3.625
  178   3HG2  ILE  26          3HG2      ILE  26   7.317   7.466  -4.074
  179   1HD1  ILE  26          1HD1      ILE  26   7.231  11.645  -5.500
  180   2HD1  ILE  26          2HD1      ILE  26   8.417  10.629  -4.699
  181   3HD1  ILE  26          3HD1      ILE  26   7.470  11.779  -3.767
  182    HA   PRO  27           HA       PRO  27   3.116   5.329  -3.172
  183   1HB   PRO  27          2HB       PRO  27   2.440   5.145  -5.840
  184   2HB   PRO  27          1HB       PRO  27   1.476   5.930  -4.618
  185   1HG   PRO  27          2HG       PRO  27   3.102   7.091  -6.638
  186   2HG   PRO  27          1HG       PRO  27   1.729   7.781  -5.804
  187   1HD   PRO  27          2HD       PRO  27   4.352   8.524  -5.309
  188   2HD   PRO  27          1HD       PRO  27   3.025   8.764  -4.160
  189    H    CYS  28           H        CYS  28   3.206   3.296  -4.514
  190    HA   CYS  28           HA       CYS  28   5.856   2.738  -5.759
  191   1HB   CYS  28          2HB       CYS  28   4.725   0.815  -3.718
  192   2HB   CYS  28          1HB       CYS  28   6.378   0.966  -4.239
  193    H    ALA  29           H        ALA  29   3.103   3.082  -6.615
  194    HA   ALA  29           HA       ALA  29   1.650   2.215  -8.193
  195   1HB   ALA  29          1HB       ALA  29   3.997   1.303  -9.081
  196   2HB   ALA  29          2HB       ALA  29   2.512   0.664  -9.759
  197   3HB   ALA  29          3HB       ALA  29   3.386  -0.253  -8.546
  198    H    GLU  30           H        GLU  30   0.547  -0.036  -8.740
  199    HA   GLU  30           HA       GLU  30  -0.916  -1.696  -8.081
  200   1HB   GLU  30          2HB       GLU  30   1.150  -2.774  -7.157
  201   2HB   GLU  30          1HB       GLU  30   0.897  -1.960  -5.629
  202   1HG   GLU  30          2HG       GLU  30  -1.492  -3.111  -5.677
  203   2HG   GLU  30          1HG       GLU  30  -0.774  -4.151  -6.891
  Start of MODEL   15
    1    H    SER   1           H        SER   1  -2.770  -1.518  -7.416
    2    HA   SER   1           HA       SER   1  -3.431   0.347  -5.238
    3   1HB   SER   1          2HB       SER   1  -5.831   0.018  -6.146
    4   2HB   SER   1          1HB       SER   1  -4.696   0.580  -7.382
    5    HG   SER   1           HG       SER   1  -5.359  -2.119  -6.820
    6    H    CYS   2           H        CYS   2  -4.560  -0.132  -3.481
    7    HA   CYS   2           HA       CYS   2  -4.681  -2.967  -2.627
    8   1HB   CYS   2          2HB       CYS   2  -4.863  -1.450  -0.367
    9   2HB   CYS   2          1HB       CYS   2  -3.447  -2.138  -1.123
   10    H    VAL   3           H        VAL   3  -6.596  -1.928  -4.271
   11    HA   VAL   3           HA       VAL   3  -8.944  -0.861  -3.791
   12    HB   VAL   3           HB       VAL   3  -8.869  -3.750  -4.720
   13   1HG1  VAL   3          1HG1      VAL   3 -10.666  -1.417  -5.543
   14   2HG1  VAL   3          2HG1      VAL   3 -11.154  -2.666  -4.412
   15   3HG1  VAL   3          3HG1      VAL   3 -10.807  -3.086  -6.076
   16   1HG2  VAL   3          1HG2      VAL   3  -8.566  -2.542  -6.987
   17   2HG2  VAL   3          2HG2      VAL   3  -7.164  -2.670  -5.929
   18   3HG2  VAL   3          3HG2      VAL   3  -8.055  -1.155  -6.025
   19    H    TYR   4           H        TYR   4  -8.398  -4.105  -2.542
   20    HA   TYR   4           HA       TYR   4 -10.520  -3.617  -0.488
   21   1HB   TYR   4          2HB       TYR   4  -9.952  -5.947  -2.318
   22   2HB   TYR   4          1HB       TYR   4 -10.554  -6.289  -0.713
   23    HD1  TYR   4           HD1      TYR   4 -11.399  -5.076  -4.013
   24    HD2  TYR   4           HD2      TYR   4 -12.753  -5.176   0.024
   25    HE1  TYR   4           HE1      TYR   4 -13.653  -4.473  -4.754
   26    HE2  TYR   4           HE2      TYR   4 -15.006  -4.572  -0.720
   27    HH   TYR   4           HH       TYR   4 -15.800  -3.185  -3.252
   28    H    ILE   5           H        ILE   5  -7.555  -5.080  -1.429
   29    HA   ILE   5           HA       ILE   5  -6.791  -6.123   1.076
   30    HB   ILE   5           HB       ILE   5  -4.763  -6.744  -0.138
   31   1HG1  ILE   5          2HG1      ILE   5  -5.543  -4.866  -2.381
   32   2HG1  ILE   5          1HG1      ILE   5  -4.410  -4.396  -1.121
   33   1HG2  ILE   5          1HG2      ILE   5  -6.873  -6.797  -2.284
   34   2HG2  ILE   5          2HG2      ILE   5  -7.033  -7.756  -0.823
   35   3HG2  ILE   5          3HG2      ILE   5  -5.665  -8.007  -1.889
   36   1HD1  ILE   5          1HD1      ILE   5  -3.000  -6.398  -1.692
   37   2HD1  ILE   5          2HD1      ILE   5  -3.110  -5.212  -2.980
   38   3HD1  ILE   5          3HD1      ILE   5  -4.051  -6.691  -3.071
   39    HA   PRO   6           HA       PRO   6  -4.434  -2.476   2.454
   40   1HB   PRO   6          2HB       PRO   6  -2.117  -3.699   3.547
   41   2HB   PRO   6          1HB       PRO   6  -3.643  -3.501   4.396
   42   1HG   PRO   6          2HG       PRO   6  -2.464  -5.962   3.394
   43   2HG   PRO   6          1HG       PRO   6  -3.924  -5.773   4.352
   44   1HD   PRO   6          2HD       PRO   6  -3.690  -6.186   1.424
   45   2HD   PRO   6          1HD       PRO   6  -5.148  -6.325   2.442
   46    H    CYS   7           H        CYS   7  -2.228  -4.799   0.984
   47    HA   CYS   7           HA       CYS   7  -1.556  -3.249  -1.272
   48   1HB   CYS   7          2HB       CYS   7  -0.443  -1.755   0.387
   49   2HB   CYS   7          1HB       CYS   7   0.529  -3.089   0.940
   50    H    THR   8           H        THR   8   0.178  -5.145   1.107
   51    HA   THR   8           HA       THR   8   1.606  -6.964   0.947
   52    HB   THR   8           HB       THR   8   0.311  -9.014  -0.001
   53    HG1  THR   8           HG1      THR   8  -1.865  -8.371  -0.563
   54   1HG2  THR   8          1HG2      THR   8  -1.418  -8.797   1.698
   55   2HG2  THR   8          2HG2      THR   8  -1.279  -7.033   1.664
   56   3HG2  THR   8          3HG2      THR   8   0.036  -8.005   2.316
   57    H    VAL   9           H        VAL   9   2.233  -5.166  -0.979
   58    HA   VAL   9           HA       VAL   9   3.575  -6.964  -2.882
   59    HB   VAL   9           HB       VAL   9   1.785  -4.606  -3.657
   60   1HG1  VAL   9          1HG1      VAL   9   3.691  -4.165  -5.032
   61   2HG1  VAL   9          2HG1      VAL   9   2.659  -5.120  -6.075
   62   3HG1  VAL   9          3HG1      VAL   9   4.031  -5.870  -5.275
   63   1HG2  VAL   9          1HG2      VAL   9   0.897  -6.382  -5.300
   64   2HG2  VAL   9          2HG2      VAL   9   0.617  -6.755  -3.615
   65   3HG2  VAL   9          3HG2      VAL   9   1.920  -7.546  -4.481
   66    H    THR  10           H        THR  10   3.158  -3.505  -2.328
   67    HA   THR  10           HA       THR  10   6.122  -3.068  -2.356
   68    HB   THR  10           HB       THR  10   5.471  -0.652  -2.555
   69    HG1  THR  10           HG1      THR  10   2.932  -1.884  -2.886
   70   1HG2  THR  10          1HG2      THR  10   3.896  -1.684  -4.804
   71   2HG2  THR  10          2HG2      THR  10   5.265  -2.748  -4.552
   72   3HG2  THR  10          3HG2      THR  10   5.530  -1.047  -4.839
   73    H    ALA  11           H        ALA  11   3.496  -3.314  -0.210
   74    HA   ALA  11           HA       ALA  11   4.044  -1.539   1.832
   75   1HB   ALA  11          1HB       ALA  11   2.725  -4.187   1.620
   76   2HB   ALA  11          2HB       ALA  11   2.151  -2.702   2.362
   77   3HB   ALA  11          3HB       ALA  11   3.233  -3.760   3.245
   78    H    LEU  12           H        LEU  12   5.932  -4.194   0.844
   79    HA   LEU  12           HA       LEU  12   7.295  -4.998   3.112
   80   1HB   LEU  12          2HB       LEU  12   8.266  -4.720   0.247
   81   2HB   LEU  12          1HB       LEU  12   9.163  -5.590   1.473
   82    HG   LEU  12           HG       LEU  12   6.255  -6.303   0.887
   83   1HD1  LEU  12          1HD1      LEU  12   8.729  -7.437  -0.490
   84   2HD1  LEU  12          2HD1      LEU  12   7.518  -6.427  -1.260
   85   3HD1  LEU  12          3HD1      LEU  12   7.085  -8.028  -0.686
   86   1HD2  LEU  12          1HD2      LEU  12   8.622  -7.867   2.023
   87   2HD2  LEU  12          2HD2      LEU  12   7.007  -8.514   1.783
   88   3HD2  LEU  12          3HD2      LEU  12   7.273  -7.238   2.955
   89    H    LEU  13           H        LEU  13   8.085  -2.325   0.954
   90    HA   LEU  13           HA       LEU  13  10.312  -1.519   2.590
   91   1HB   LEU  13          2HB       LEU  13  10.732   0.151   0.820
   92   2HB   LEU  13          1HB       LEU  13  10.569  -1.461   0.173
   93    HG   LEU  13           HG       LEU  13   7.959  -0.173   0.305
   94   1HD1  LEU  13          1HD1      LEU  13  10.155   1.573  -0.617
   95   2HD1  LEU  13          2HD1      LEU  13   8.468   1.947  -0.334
   96   3HD1  LEU  13          3HD1      LEU  13   8.971   1.305  -1.877
   97   1HD2  LEU  13          1HD2      LEU  13   7.861  -0.883  -2.056
   98   2HD2  LEU  13          2HD2      LEU  13   8.581  -2.166  -1.100
   99   3HD2  LEU  13          3HD2      LEU  13   9.600  -1.127  -2.084
  100    H    GLY  14           H        GLY  14   7.312  -1.251   3.228
  101   1HA   GLY  14          2HA       GLY  14   6.285   0.117   4.863
  102   2HA   GLY  14          1HA       GLY  14   7.505   1.349   4.598
  103    H    CYS  15           H        CYS  15   5.661  -0.087   1.969
  104    HA   CYS  15           HA       CYS  15   4.667   2.549   1.197
  105   1HB   CYS  15          2HB       CYS  15   4.447  -0.227   0.028
  106   2HB   CYS  15          1HB       CYS  15   3.716   1.151  -0.715
  107    H    SER  16           H        SER  16   3.499   2.908   3.037
  108    HA   SER  16           HA       SER  16   1.218   1.448   3.956
  109   1HB   SER  16          2HB       SER  16   1.854   4.405   4.262
  110   2HB   SER  16          1HB       SER  16   0.699   3.477   5.238
  111    HG   SER  16           HG       SER  16   2.457   2.069   5.765
  112    H    CYS  17           H        CYS  17  -0.562   1.183   2.945
  113    HA   CYS  17           HA       CYS  17  -1.352   2.548   0.576
  114   1HB   CYS  17          2HB       CYS  17  -2.004   0.319   1.168
  115   2HB   CYS  17          1HB       CYS  17  -3.037   0.889   2.459
  116    H    SER  18           H        SER  18  -2.797   3.964   0.094
  117    HA   SER  18           HA       SER  18  -4.433   5.428   2.067
  118   1HB   SER  18          2HB       SER  18  -2.470   6.869   0.169
  119   2HB   SER  18          1HB       SER  18  -3.498   7.628   1.395
  120    HG   SER  18           HG       SER  18  -2.377   6.126   2.891
  121    H    ASN  19           H        ASN  19  -6.363   5.751   1.071
  122    HA   ASN  19           HA       ASN  19  -8.045   5.480  -0.527
  123   1HB   ASN  19          2HB       ASN  19  -7.609   6.844  -2.647
  124   2HB   ASN  19          1HB       ASN  19  -7.449   7.751  -1.157
  125   1HD2  ASN  19          1HD2      ASN  19  -5.302   8.455  -0.550
  126   2HD2  ASN  19          2HD2      ASN  19  -4.016   8.447  -1.661
  127    H    ARG  20           H        ARG  20  -6.447   3.374  -0.288
  128    HA   ARG  20           HA       ARG  20  -5.857   1.328  -1.197
  129   1HB   ARG  20          2HB       ARG  20  -8.009   2.317  -3.072
  130   2HB   ARG  20          1HB       ARG  20  -7.209   0.799  -3.397
  131   1HG   ARG  20          2HG       ARG  20  -8.365  -0.275  -1.775
  132   2HG   ARG  20          1HG       ARG  20  -7.832   0.801  -0.551
  133   1HD   ARG  20          2HD       ARG  20  -9.773   2.330  -1.920
  134   2HD   ARG  20          1HD       ARG  20 -10.375   0.695  -2.107
  135    HE   ARG  20           HE       ARG  20 -10.895   0.684   0.176
  136   1HH1  ARG  20          2HH1      ARG  20  -8.548   3.143  -0.505
  137   2HH1  ARG  20          1HH1      ARG  20  -8.586   3.787   1.101
  138   1HH2  ARG  20          1HH2      ARG  20 -10.961   1.482   2.213
  139   2HH2  ARG  20          2HH2      ARG  20  -9.975   2.832   2.666
  140    H    VAL  21           H        VAL  21  -4.104   3.333  -1.662
  141    HA   VAL  21           HA       VAL  21  -2.702   2.409  -4.128
  142    HB   VAL  21           HB       VAL  21  -3.043   5.315  -3.190
  143   1HG1  VAL  21          1HG1      VAL  21  -1.260   4.183  -5.402
  144   2HG1  VAL  21          2HG1      VAL  21  -0.683   4.921  -3.920
  145   3HG1  VAL  21          3HG1      VAL  21  -1.527   5.894  -5.108
  146   1HG2  VAL  21          1HG2      VAL  21  -3.747   3.911  -5.810
  147   2HG2  VAL  21          2HG2      VAL  21  -3.965   5.625  -5.498
  148   3HG2  VAL  21          3HG2      VAL  21  -4.904   4.443  -4.605
  149    H    CYS  22           H        CYS  22  -0.980   1.354  -3.265
  150    HA   CYS  22           HA       CYS  22   0.024   1.531  -0.636
  151   1HB   CYS  22          2HB       CYS  22   1.639   0.939  -3.116
  152   2HB   CYS  22          1HB       CYS  22   2.003   0.443  -1.485
  153    H    TYR  23           H        TYR  23   1.178   3.086   0.400
  154    HA   TYR  23           HA       TYR  23   2.761   5.061  -1.176
  155   1HB   TYR  23          2HB       TYR  23   0.279   5.555   0.189
  156   2HB   TYR  23          1HB       TYR  23   1.520   6.455   1.022
  157    HD1  TYR  23           HD1      TYR  23   2.872   8.135  -0.199
  158    HD2  TYR  23           HD2      TYR  23  -0.378   6.109  -2.048
  159    HE1  TYR  23           HE1      TYR  23   2.821   9.829  -1.955
  160    HE2  TYR  23           HE2      TYR  23  -0.436   7.793  -3.809
  161    HH   TYR  23           HH       TYR  23   1.658   9.544  -4.749
  162    H    ASN  24           H        ASN  24   4.828   5.005  -0.526
  163    HA   ASN  24           HA       ASN  24   5.455   4.700   2.396
  164   1HB   ASN  24          2HB       ASN  24   6.625   3.039   0.712
  165   2HB   ASN  24          1HB       ASN  24   7.366   4.447  -0.001
  166   1HD2  ASN  24          1HD2      ASN  24   9.324   3.307   0.584
  167   2HD2  ASN  24          2HD2      ASN  24   9.914   3.396   2.169
  168    H    GLY  25           H        GLY  25   4.402   7.005   1.849
  169   1HA   GLY  25          2HA       GLY  25   4.871   9.244   2.363
  170   2HA   GLY  25          1HA       GLY  25   6.567   8.916   1.978
  171    H    ILE  26           H        ILE  26   6.308   7.626  -0.369
  172    HA   ILE  26           HA       ILE  26   5.061   9.416  -2.360
  173    HB   ILE  26           HB       ILE  26   7.100   8.557  -3.740
  174   1HG1  ILE  26          2HG1      ILE  26   8.532   8.277  -1.080
  175   2HG1  ILE  26          1HG1      ILE  26   7.709   6.887  -1.752
  176   1HG2  ILE  26          1HG2      ILE  26   8.516  10.428  -2.929
  177   2HG2  ILE  26          2HG2      ILE  26   7.616  10.460  -1.417
  178   3HG2  ILE  26          3HG2      ILE  26   6.824  10.906  -2.922
  179   1HD1  ILE  26          1HD1      ILE  26  10.062   6.908  -2.458
  180   2HD1  ILE  26          2HD1      ILE  26   9.855   8.491  -3.188
  181   3HD1  ILE  26          3HD1      ILE  26   9.009   7.099  -3.849
  182    HA   PRO  27           HA       PRO  27   2.947   5.762  -3.288
  183   1HB   PRO  27          2HB       PRO  27   2.758   5.714  -6.026
  184   2HB   PRO  27          1HB       PRO  27   1.772   6.715  -4.992
  185   1HG   PRO  27          2HG       PRO  27   4.033   7.434  -6.570
  186   2HG   PRO  27          1HG       PRO  27   2.650   8.423  -6.149
  187   1HD   PRO  27          2HD       PRO  27   5.119   8.758  -4.973
  188   2HD   PRO  27          1HD       PRO  27   3.601   9.151  -4.142
  189    H    CYS  28           H        CYS  28   2.991   3.724  -4.677
  190    HA   CYS  28           HA       CYS  28   5.674   2.823  -5.543
  191   1HB   CYS  28          2HB       CYS  28   4.174   1.162  -3.497
  192   2HB   CYS  28          1HB       CYS  28   5.841   1.038  -3.976
  193    H    ALA  29           H        ALA  29   2.848   3.287  -6.497
  194    HA   ALA  29           HA       ALA  29   1.389   2.366  -8.053
  195   1HB   ALA  29          1HB       ALA  29   2.334   0.912  -9.670
  196   2HB   ALA  29          2HB       ALA  29   3.285   0.028  -8.491
  197   3HB   ALA  29          3HB       ALA  29   3.783   1.634  -8.996
  198    H    GLU  30           H        GLU  30   0.570  -0.087  -8.639
  199    HA   GLU  30           HA       GLU  30  -0.758  -1.845  -7.956
  200   1HB   GLU  30          2HB       GLU  30   1.326  -2.797  -7.015
  201   2HB   GLU  30          1HB       GLU  30   1.142  -1.869  -5.545
  202   1HG   GLU  30          2HG       GLU  30   0.381  -4.209  -5.233
  203   2HG   GLU  30          1HG       GLU  30  -0.927  -3.083  -4.966
  Start of MODEL   16
    1    H    SER   1           H        SER   1  -2.657  -1.527  -7.367
    2    HA   SER   1           HA       SER   1  -3.339   0.411  -5.248
    3   1HB   SER   1          2HB       SER   1  -5.019  -0.971  -7.393
    4   2HB   SER   1          1HB       SER   1  -5.661   0.204  -6.226
    5    HG   SER   1           HG       SER   1  -4.084   1.669  -6.930
    6    H    CYS   2           H        CYS   2  -4.236  -0.054  -3.449
    7    HA   CYS   2           HA       CYS   2  -4.686  -2.871  -2.606
    8   1HB   CYS   2          2HB       CYS   2  -4.506  -1.626  -0.317
    9   2HB   CYS   2          1HB       CYS   2  -3.082  -1.958  -1.262
   10    H    VAL   3           H        VAL   3  -6.603  -1.829  -4.157
   11    HA   VAL   3           HA       VAL   3  -8.771  -0.393  -3.273
   12    HB   VAL   3           HB       VAL   3  -8.924  -2.923  -4.919
   13   1HG1  VAL   3          1HG1      VAL   3 -10.727  -0.453  -4.729
   14   2HG1  VAL   3          2HG1      VAL   3 -11.169  -2.084  -4.253
   15   3HG1  VAL   3          3HG1      VAL   3 -10.895  -1.712  -5.943
   16   1HG2  VAL   3          1HG2      VAL   3  -8.753  -1.126  -6.758
   17   2HG2  VAL   3          2HG2      VAL   3  -7.282  -1.530  -5.874
   18   3HG2  VAL   3          3HG2      VAL   3  -8.167  -0.060  -5.478
   19    H    TYR   4           H        TYR   4  -8.203  -3.783  -2.824
   20    HA   TYR   4           HA       TYR   4 -10.306  -3.887  -0.680
   21   1HB   TYR   4          2HB       TYR   4  -9.493  -5.809  -2.882
   22   2HB   TYR   4          1HB       TYR   4 -10.097  -6.411  -1.352
   23    HD1  TYR   4           HD1      TYR   4 -10.966  -4.586  -4.412
   24    HD2  TYR   4           HD2      TYR   4 -12.427  -5.884  -0.625
   25    HE1  TYR   4           HE1      TYR   4 -13.257  -4.098  -5.124
   26    HE2  TYR   4           HE2      TYR   4 -14.715  -5.393  -1.343
   27    HH   TYR   4           HH       TYR   4 -16.022  -5.030  -3.218
   28    H    ILE   5           H        ILE   5  -7.419  -5.410  -1.943
   29    HA   ILE   5           HA       ILE   5  -6.490  -6.505   0.450
   30    HB   ILE   5           HB       ILE   5  -4.173  -6.196  -0.882
   31   1HG1  ILE   5          2HG1      ILE   5  -5.826  -6.280  -3.362
   32   2HG1  ILE   5          1HG1      ILE   5  -5.687  -4.708  -2.611
   33   1HG2  ILE   5          1HG2      ILE   5  -6.401  -8.076  -1.753
   34   2HG2  ILE   5          2HG2      ILE   5  -5.248  -8.367  -0.460
   35   3HG2  ILE   5          3HG2      ILE   5  -4.699  -8.306  -2.126
   36   1HD1  ILE   5          1HD1      ILE   5  -3.852  -5.122  -4.254
   37   2HD1  ILE   5          2HD1      ILE   5  -3.314  -6.491  -3.295
   38   3HD1  ILE   5          3HD1      ILE   5  -3.227  -4.867  -2.631
   39    HA   PRO   6           HA       PRO   6  -4.650  -2.882   2.441
   40   1HB   PRO   6          2HB       PRO   6  -2.372  -4.223   3.527
   41   2HB   PRO   6          1HB       PRO   6  -3.910  -3.934   4.329
   42   1HG   PRO   6          2HG       PRO   6  -2.890  -6.425   3.107
   43   2HG   PRO   6          1HG       PRO   6  -4.144  -6.218   4.323
   44   1HD   PRO   6          2HD       PRO   6  -4.618  -6.836   1.603
   45   2HD   PRO   6          1HD       PRO   6  -5.835  -6.172   2.714
   46    H    CYS   7           H        CYS   7  -2.377  -5.023   0.812
   47    HA   CYS   7           HA       CYS   7  -1.463  -3.171  -1.126
   48   1HB   CYS   7          2HB       CYS   7  -0.466  -2.016   0.821
   49   2HB   CYS   7          1HB       CYS   7   0.335  -3.474   1.305
   50    H    THR   8           H        THR   8   0.041  -5.413   1.067
   51    HA   THR   8           HA       THR   8   1.394  -7.253   0.785
   52    HB   THR   8           HB       THR   8   0.046  -9.188  -0.181
   53    HG1  THR   8           HG1      THR   8  -0.615  -7.650  -1.956
   54   1HG2  THR   8          1HG2      THR   8  -1.862  -7.136   0.972
   55   2HG2  THR   8          2HG2      THR   8  -0.640  -7.909   1.980
   56   3HG2  THR   8          3HG2      THR   8  -1.878  -8.892   1.193
   57    H    VAL   9           H        VAL   9   2.049  -5.313  -1.070
   58    HA   VAL   9           HA       VAL   9   3.499  -7.060  -2.926
   59    HB   VAL   9           HB       VAL   9   1.665  -4.802  -3.833
   60   1HG1  VAL   9          1HG1      VAL   9   3.917  -6.122  -5.392
   61   2HG1  VAL   9          2HG1      VAL   9   3.617  -4.405  -5.171
   62   3HG1  VAL   9          3HG1      VAL   9   2.565  -5.350  -6.203
   63   1HG2  VAL   9          1HG2      VAL   9   1.817  -7.773  -4.479
   64   2HG2  VAL   9          2HG2      VAL   9   0.851  -6.661  -5.430
   65   3HG2  VAL   9          3HG2      VAL   9   0.479  -6.906  -3.738
   66    H    THR  10           H        THR  10   2.935  -3.754  -1.901
   67    HA   THR  10           HA       THR  10   5.858  -3.138  -2.192
   68    HB   THR  10           HB       THR  10   4.916  -0.677  -2.342
   69    HG1  THR  10           HG1      THR  10   2.697  -2.301  -3.059
   70   1HG2  THR  10          1HG2      THR  10   5.612  -1.192  -4.511
   71   2HG2  THR  10          2HG2      THR  10   3.943  -1.643  -4.826
   72   3HG2  THR  10          3HG2      THR  10   5.113  -2.862  -4.371
   73    H    ALA  11           H        ALA  11   3.524  -3.697   0.118
   74    HA   ALA  11           HA       ALA  11   4.047  -1.686   2.011
   75   1HB   ALA  11          1HB       ALA  11   3.282  -3.633   3.648
   76   2HB   ALA  11          2HB       ALA  11   2.971  -4.501   2.151
   77   3HB   ALA  11          3HB       ALA  11   2.143  -2.987   2.483
   78    H    LEU  12           H        LEU  12   5.852  -4.334   0.948
   79    HA   LEU  12           HA       LEU  12   7.444  -5.082   3.084
   80   1HB   LEU  12          2HB       LEU  12   8.066  -4.953   0.115
   81   2HB   LEU  12          1HB       LEU  12   9.102  -5.753   1.275
   82    HG   LEU  12           HG       LEU  12   6.616  -6.871   1.907
   83   1HD1  LEU  12          1HD1      LEU  12   5.500  -5.844  -0.044
   84   2HD1  LEU  12          2HD1      LEU  12   5.647  -7.569  -0.306
   85   3HD1  LEU  12          3HD1      LEU  12   6.748  -6.466  -1.112
   86   1HD2  LEU  12          1HD2      LEU  12   8.747  -8.106   1.635
   87   2HD2  LEU  12          2HD2      LEU  12   8.656  -7.905  -0.108
   88   3HD2  LEU  12          3HD2      LEU  12   7.464  -8.886   0.729
   89    H    LEU  13           H        LEU  13   7.914  -2.357   0.898
   90    HA   LEU  13           HA       LEU  13  10.436  -1.695   2.120
   91   1HB   LEU  13          2HB       LEU  13  10.551   0.112   0.442
   92   2HB   LEU  13          1HB       LEU  13  10.264  -1.446  -0.280
   93    HG   LEU  13           HG       LEU  13   7.729  -0.160   0.400
   94   1HD1  LEU  13          1HD1      LEU  13   7.807   1.874  -0.725
   95   2HD1  LEU  13          2HD1      LEU  13   9.021   1.338  -1.868
   96   3HD1  LEU  13          3HD1      LEU  13   9.493   1.826  -0.255
   97   1HD2  LEU  13          1HD2      LEU  13   8.008  -2.047  -1.220
   98   2HD2  LEU  13          2HD2      LEU  13   8.947  -1.004  -2.275
   99   3HD2  LEU  13          3HD2      LEU  13   7.247  -0.668  -1.997
  100    H    GLY  14           H        GLY  14   7.303  -1.161   2.881
  101   1HA   GLY  14          2HA       GLY  14   6.736   0.047   4.920
  102   2HA   GLY  14          1HA       GLY  14   7.919   1.273   4.501
  103    H    CYS  15           H        CYS  15   5.915   0.115   1.950
  104    HA   CYS  15           HA       CYS  15   4.736   2.752   1.614
  105   1HB   CYS  15          2HB       CYS  15   5.457   0.937  -0.121
  106   2HB   CYS  15          1HB       CYS  15   3.877   0.279   0.102
  107    H    SER  16           H        SER  16   3.135   3.462   2.563
  108    HA   SER  16           HA       SER  16   1.161   1.803   4.013
  109   1HB   SER  16          2HB       SER  16   1.605   4.802   4.062
  110   2HB   SER  16          1HB       SER  16   0.533   3.885   5.136
  111    HG   SER  16           HG       SER  16   2.394   2.624   5.707
  112    H    CYS  17           H        CYS  17  -0.634   1.327   3.126
  113    HA   CYS  17           HA       CYS  17  -1.647   2.380   0.690
  114   1HB   CYS  17          2HB       CYS  17  -2.131   0.175   1.529
  115   2HB   CYS  17          1HB       CYS  17  -3.109   0.831   2.821
  116    H    SER  18           H        SER  18  -2.149   4.326   0.424
  117    HA   SER  18           HA       SER  18  -4.113   5.735   2.193
  118   1HB   SER  18          2HB       SER  18  -2.145   6.996   0.187
  119   2HB   SER  18          1HB       SER  18  -3.069   7.835   1.444
  120    HG   SER  18           HG       SER  18  -0.953   5.996   1.713
  121    H    ASN  19           H        ASN  19  -6.016   6.199   1.197
  122    HA   ASN  19           HA       ASN  19  -7.758   5.980  -0.333
  123   1HB   ASN  19          2HB       ASN  19  -7.331   7.187  -2.503
  124   2HB   ASN  19          1HB       ASN  19  -6.836   8.127  -1.113
  125   1HD2  ASN  19          1HD2      ASN  19  -4.563   8.552  -0.844
  126   2HD2  ASN  19          2HD2      ASN  19  -3.436   8.230  -2.073
  127    H    ARG  20           H        ARG  20  -6.410   3.739   0.048
  128    HA   ARG  20           HA       ARG  20  -6.046   1.587  -0.686
  129   1HB   ARG  20          2HB       ARG  20  -8.274   2.649  -2.374
  130   2HB   ARG  20          1HB       ARG  20  -7.554   1.171  -2.939
  131   1HG   ARG  20          2HG       ARG  20  -8.627  -0.060  -1.309
  132   2HG   ARG  20          1HG       ARG  20  -7.922   0.863  -0.050
  133   1HD   ARG  20          2HD       ARG  20 -10.340   1.655  -1.731
  134   2HD   ARG  20          1HD       ARG  20 -10.434   0.992  -0.102
  135    HE   ARG  20           HE       ARG  20  -9.831   3.741  -0.798
  136   1HH1  ARG  20          2HH1      ARG  20  -9.085   1.241   1.492
  137   2HH1  ARG  20          1HH1      ARG  20  -8.633   2.362   2.729
  138   1HH2  ARG  20          1HH2      ARG  20  -9.265   5.166   0.757
  139   2HH2  ARG  20          2HH2      ARG  20  -8.739   4.614   2.311
  140    H    VAL  21           H        VAL  21  -4.177   3.393  -1.481
  141    HA   VAL  21           HA       VAL  21  -2.961   2.044  -3.848
  142    HB   VAL  21           HB       VAL  21  -3.095   5.069  -3.310
  143   1HG1  VAL  21          1HG1      VAL  21  -1.387   3.546  -5.341
  144   2HG1  VAL  21          2HG1      VAL  21  -0.775   4.487  -3.992
  145   3HG1  VAL  21          3HG1      VAL  21  -1.589   5.290  -5.318
  146   1HG2  VAL  21          1HG2      VAL  21  -3.930   3.355  -5.694
  147   2HG2  VAL  21          2HG2      VAL  21  -4.010   5.108  -5.648
  148   3HG2  VAL  21          3HG2      VAL  21  -5.019   4.156  -4.575
  149    H    CYS  22           H        CYS  22  -1.081   1.083  -2.962
  150    HA   CYS  22           HA       CYS  22  -0.134   1.646  -0.334
  151   1HB   CYS  22          2HB       CYS  22   0.528  -0.198  -2.274
  152   2HB   CYS  22          1HB       CYS  22   1.960   0.805  -2.238
  153    H    TYR  23           H        TYR  23   1.015   3.256   0.445
  154    HA   TYR  23           HA       TYR  23   2.526   5.104  -1.330
  155   1HB   TYR  23          2HB       TYR  23   0.020   5.645  -0.073
  156   2HB   TYR  23          1HB       TYR  23   1.196   6.639   0.743
  157    HD1  TYR  23           HD1      TYR  23   2.537   8.289  -0.534
  158    HD2  TYR  23           HD2      TYR  23  -0.569   6.031  -2.366
  159    HE1  TYR  23           HE1      TYR  23   2.490   9.868  -2.392
  160    HE2  TYR  23           HE2      TYR  23  -0.620   7.602  -4.230
  161    HH   TYR  23           HH       TYR  23   1.682   9.585  -5.034
  162    H    ASN  24           H        ASN  24   4.614   4.910  -0.653
  163    HA   ASN  24           HA       ASN  24   5.187   4.960   2.282
  164   1HB   ASN  24          2HB       ASN  24   6.347   3.305   0.501
  165   2HB   ASN  24          1HB       ASN  24   7.355   4.674   0.132
  166   1HD2  ASN  24          1HD2      ASN  24   8.456   2.433   1.161
  167   2HD2  ASN  24          2HD2      ASN  24   9.031   2.784   2.714
  168    H    GLY  25           H        GLY  25   4.126   7.230   1.650
  169   1HA   GLY  25          2HA       GLY  25   4.559   9.489   2.076
  170   2HA   GLY  25          1HA       GLY  25   6.262   9.170   1.734
  171    H    ILE  26           H        ILE  26   6.069   7.841  -0.565
  172    HA   ILE  26           HA       ILE  26   4.758   9.509  -2.635
  173    HB   ILE  26           HB       ILE  26   7.381   9.847  -2.128
  174   1HG1  ILE  26          2HG1      ILE  26   6.936   9.279  -5.053
  175   2HG1  ILE  26          1HG1      ILE  26   5.927  10.498  -4.297
  176   1HG2  ILE  26          1HG2      ILE  26   7.887   7.390  -2.121
  177   2HG2  ILE  26          2HG2      ILE  26   8.882   8.291  -3.251
  178   3HG2  ILE  26          3HG2      ILE  26   7.533   7.337  -3.842
  179   1HD1  ILE  26          1HD1      ILE  26   8.971  10.479  -4.217
  180   2HD1  ILE  26          2HD1      ILE  26   7.930  11.723  -3.539
  181   3HD1  ILE  26          3HD1      ILE  26   7.990  11.478  -5.276
  182    HA   PRO  27           HA       PRO  27   3.025   5.674  -3.375
  183   1HB   PRO  27          2HB       PRO  27   2.775   5.465  -6.111
  184   2HB   PRO  27          1HB       PRO  27   1.713   6.388  -5.083
  185   1HG   PRO  27          2HG       PRO  27   3.785   7.276  -6.807
  186   2HG   PRO  27          1HG       PRO  27   2.369   8.153  -6.274
  187   1HD   PRO  27          2HD       PRO  27   4.922   8.654  -5.345
  188   2HD   PRO  27          1HD       PRO  27   3.467   9.062  -4.424
  189    H    CYS  28           H        CYS  28   3.139   3.581  -4.635
  190    HA   CYS  28           HA       CYS  28   5.856   2.783  -5.528
  191   1HB   CYS  28          2HB       CYS  28   4.511   1.041  -3.478
  192   2HB   CYS  28          1HB       CYS  28   6.212   1.181  -3.822
  193    H    ALA  29           H        ALA  29   3.028   3.077  -6.498
  194    HA   ALA  29           HA       ALA  29   1.671   2.064  -8.086
  195   1HB   ALA  29          1HB       ALA  29   4.107   1.214  -8.841
  196   2HB   ALA  29          2HB       ALA  29   2.669   0.514  -9.561
  197   3HB   ALA  29          3HB       ALA  29   3.512  -0.341  -8.283
  198    H    GLU  30           H        GLU  30   0.743  -0.301  -8.542
  199    HA   GLU  30           HA       GLU  30  -0.671  -1.983  -7.836
  200   1HB   GLU  30          2HB       GLU  30   1.244  -3.098  -6.889
  201   2HB   GLU  30          1HB       GLU  30   1.334  -2.027  -5.518
  202   1HG   GLU  30          2HG       GLU  30  -1.224  -3.605  -5.921
  203   2HG   GLU  30          1HG       GLU  30   0.180  -4.469  -5.348