*HEADER   PHOSPHOTRANSFERASE                      01-APR-97   1JEM    
*TITLE    NMR STRUCTURE OF HISTIDINE PHOSPHORYLATED FORM OF THE       
*TITLE   2 PHOSPHOCARRIER HISTIDINE CONTAINING PROTEIN FROM BACILLUS  
*TITLE   3 SUBTILIS, NMR, 25 STRUCTURES                               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HISTIDINE CONTAINING PROTEIN;                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: HPR;                                              
*COMPND  5 MUTATION: M51V                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                    
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  4 EXPRESSION_SYSTEM_STRAIN: GM-1                             
*KEYWDS   HISTIDINE CONTAINING PROTEIN, PHOSPHOHISTIDINE, PTS         
*EXPDTA   NMR, 25 STRUCTURES                                          
*AUTHOR   B.E.JONES,P.RAJAGOPAL,R.E.KLEVIT                            
*REVDAT  1   23-JUL-97 1JEM    0                                      

 set message=off echo=off end
!! N15 NOESY constraints
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 assign (resid   42 and name HN  ) (resid  36 and name HA   ) 1.80 0.00 2.05 !!  253
 assign (resid   42 and name HN  ) (resid  42 and name HA   ) 1.80 0.00 2.05 !!  254
 assign (resid   42 and name HN  ) (resid  41 and name HB   ) 1.80 0.00 2.70 !!  255
 assign (resid   42 and name HN  ) (resid  42 and name HB   ) 1.80 0.00 2.70 !!  256
 assign (resid   42 and name HN  ) (resid  41 and name HG2# ) 1.80 0.00 2.55 !!  257
 assign (resid   42 and name HN  ) (resid  42 and name HG2# ) 1.80 0.00 2.55 !!  258
 assign (resid   43 and name HN  ) (resid  43 and name HB#  ) 1.80 0.00 2.05 !!  259
 assign (resid   43 and name HN  ) (resid  42 and name HB   ) 1.80 0.00 1.05 !!  260
 assign (resid   44 and name HN  ) (resid  45 and name HN   ) 1.80 0.00 2.05 !!  261
 assign (resid   44 and name HN  ) (resid  34 and name HA   ) 1.80 0.00 2.05 !!  262
 assign (resid   44 and name HN  ) (resid  43 and name HA   ) 1.80 0.00 1.05 !!  263
 assign (resid   44 and name HN  ) (resid  44 and name HA   ) 1.80 0.00 2.05 !!  264
 assign (resid   44 and name HN  ) (resid  43 and name HB#  ) 1.80 0.00 2.70 !!  265
 assign (resid   44 and name HN  ) (resid  44 and name HB1  ) 1.80 0.00 2.05 !!  266
 assign (resid   44 and name HN  ) (resid  44 and name HB2  ) 1.80 0.00 2.05 !!  267
 assign (resid   44 and name HN  ) (resid  44 and name HD## ) 1.80 0.00 4.20 !!  268
 assign (resid   45 and name HN  ) (resid  46 and name HN   ) 1.80 0.00 2.05 !!  269
 assign (resid   45 and name HN  ) (resid  45 and name HA   ) 1.80 0.00 2.05 !!  271
 assign (resid   45 and name HN  ) (resid  44 and name HA   ) 1.80 0.00 2.05 !!  272
 assign (resid   45 and name HN  ) (resid  45 and name HB#  ) 1.80 0.00 2.05 !!  273
 assign (resid   45 and name HN  ) (resid  45 and name HG#  ) 1.80 0.00 2.05 !!  274
 assign (resid   45 and name HN  ) (resid  45 and name HD#  ) 1.80 0.00 2.05 !!  275
 assign (resid   45 and name HN  ) (resid  44 and name HD2# ) 1.80 0.00 4.20 !!  276
 assign (resid   46 and name HN  ) (resid  46 and name HB2  ) 1.80 0.00 2.05 !!  279
 assign (resid   46 and name HN  ) (resid  47 and name HG12 ) 1.80 0.00 2.70 !!  280
 assign (resid   47 and name HN  ) (resid  48 and name HN   ) 1.80 0.00 2.70 !!  281
 assign (resid   47 and name HN  ) (resid  47 and name HA   ) 1.80 0.00 2.70 !!  282
 assign (resid   47 and name HN  ) (resid  47 and name HB   ) 1.80 0.00 2.05 !!  283
 assign (resid   47 and name HN  ) (resid  47 and name HG11 ) 1.80 0.00 2.05 !!  284
 assign (resid   47 and name HN  ) (resid  47 and name HD1# ) 1.80 0.00 3.20 !!  285
 assign (resid   48 and name HN  ) (resid  48 and name HA   ) 1.80 0.00 2.05 !!  286
 assign (resid   48 and name HN  ) (resid  48 and name HG#  ) 1.80 0.00 2.70 !!  287
 assign (resid   48 and name HN  ) (resid  47 and name HB   ) 1.80 0.00 2.05 !!  288
 assign (resid   48 and name HN  ) (resid  47 and name HG2# ) 1.80 0.00 2.55 !!  289
 assign (resid   49 and name HN  ) (resid  49 and name HA2  ) 1.80 0.00 2.05 !!  290
 assign (resid   49 and name HN  ) (resid  48 and name HB1  ) 1.80 0.00 2.70 !!  291
 assign (resid   50 and name HN  ) (resid  51 and name HN   ) 1.80 0.00 2.05 !!  292
 assign (resid   50 and name HN  ) (resid  50 and name HA   ) 1.80 0.00 2.05 !!  293
 assign (resid   50 and name HN  ) (resid  50 and name HB   ) 1.80 0.00 1.05 !!  294
 assign (resid   50 and name HN  ) (resid  50 and name HG2# ) 1.80 0.00 2.55 !!  295
 assign (resid   50 and name HN  ) (resid  50 and name HG1# ) 1.80 0.00 3.20 !!  296
 assign (resid   51 and name HN  ) (resid  51 and name HA   ) 1.80 0.00 2.05 !!  297
 assign (resid   51 and name HN  ) (resid  50 and name HG1# ) 1.80 0.00 3.20 !!  299
 assign (resid   51 and name HN  ) (resid  51 and name HG## ) 1.80 0.00 2.55 !!  300
 assign (resid   51 and name HN  ) (resid  52 and name HN   ) 1.80 0.00 2.05 !!  302
 assign (resid   52 and name HN  ) (resid  53 and name HN   ) 1.80 0.00 2.05 !!  303
 assign (resid   52 and name HN  ) (resid  52 and name HA   ) 1.80 0.00 2.05 !!  305
 assign (resid   52 and name HN  ) (resid  52 and name HB#  ) 1.80 0.00 3.70 !!  306
 assign (resid   52 and name HN  ) (resid  51 and name HA   ) 1.80 0.00 2.70 !!  307
 assign (resid   52 and name HN  ) (resid  51 and name HB   ) 1.80 0.00 2.05 !!  308
 assign (resid   52 and name HN  ) (resid  51 and name HG## ) 1.80 0.00 4.20 !!  309
 assign (resid   53 and name HN  ) (resid  54 and name HN   ) 1.80 0.00 2.05 !!  311
 assign (resid   53 and name HN  ) (resid  50 and name HA   ) 1.80 0.00 2.70 !!  312
 assign (resid   53 and name HN  ) (resid  53 and name HB1  ) 1.80 0.00 2.05 !!  314
 assign (resid   53 and name HN  ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!  315
 assign (resid   54 and name HN  ) (resid  55 and name HN   ) 1.80 0.00 2.05 !!  316
 assign (resid   54 and name HN  ) (resid  53 and name HA   ) 1.80 0.00 2.70 !!  318
 assign (resid   54 and name HN  ) (resid  54 and name HA2  ) 1.80 0.00 1.05 !!  319
 assign (resid   54 and name HN  ) (resid  54 and name HA1  ) 1.80 0.00 2.05 !!  320
 assign (resid   54 and name HN  ) (resid  53 and name HB2  ) 1.80 0.00 3.70 !!  321
 assign (resid   54 and name HN  ) (resid  53 and name HD## ) 1.80 0.00 4.20 !!  322
 assign (resid   55 and name HN  ) (resid  54 and name HA2  ) 1.80 0.00 2.05 !!  324
 assign (resid   55 and name HN  ) (resid  54 and name HA1  ) 1.80 0.00 2.70 !!  325
 assign (resid   55 and name HN  ) (resid  55 and name HA   ) 1.80 0.00 2.05 !!  326
 assign (resid   55 and name HN  ) (resid  53 and name HB2  ) 1.80 0.00 2.05 !!  327
 assign (resid   55 and name HN  ) (resid  55 and name HB   ) 1.80 0.00 2.05 !!  328
 assign (resid   55 and name HN  ) (resid  55 and name HG11 ) 1.80 0.00 2.05 !!  329
 assign (resid   55 and name HN  ) (resid  55 and name HG12 ) 1.80 0.00 2.05 !!  330
 assign (resid   55 and name HN  ) (resid  55 and name HD1# ) 1.80 0.00 4.20 !!  331
 assign (resid   55 and name HN  ) (resid  55 and name HG2# ) 1.80 0.00 4.20 !!  332
 assign (resid   56 and name HN  ) (resid  56 and name HA   ) 1.80 0.00 2.05 !!  333
 assign (resid   56 and name HN  ) (resid  55 and name HA   ) 1.80 0.00 1.05 !!  334
 assign (resid   56 and name HN  ) (resid  56 and name HB#  ) 1.80 0.00 2.05 !!  335
 assign (resid   56 and name HN  ) (resid  55 and name HG2# ) 1.80 0.00 3.20 !!  336
 assign (resid   58 and name HN  ) (resid  59 and name HN   ) 1.80 0.00 2.05 !!  337
 assign (resid   58 and name HN  ) (resid  58 and name HA1  ) 1.80 0.00 2.05 !!  338
 assign (resid   58 and name HN  ) (resid  58 and name HA2  ) 1.80 0.00 1.05 !!  339
 assign (resid   58 and name HN  ) (resid   8 and name HG1# ) 1.80 0.00 3.20 !!  340
 assign (resid   58 and name HN  ) (resid  57 and name HB1  ) 1.80 0.00 3.70 !!  341
 assign (resid   58 and name HN  ) (resid  57 and name HB2  ) 1.80 0.00 2.70 !!  342
 assign (resid   58 and name HN  ) (resid   8 and name HB   ) 1.80 0.00 2.05 !!  343
 assign (resid   59 and name HN  ) (resid  59 and name HA   ) 1.80 0.00 2.05 !!  345
 assign (resid   59 and name HN  ) (resid  58 and name HA2  ) 1.80 0.00 2.05 !!  346
 assign (resid   59 and name HN  ) (resid   8 and name HB   ) 1.80 0.00 2.05 !!  347
 assign (resid   59 and name HN  ) (resid  59 and name HB#  ) 1.80 0.00 2.55 !!  348
 assign (resid   59 and name HN  ) (resid   8 and name HG1# ) 1.80 0.00 4.20 !!  349
 assign (resid   59 and name HN  ) (resid   8 and name HG2# ) 1.80 0.00 4.20 !!  350
 assign (resid   59 and name HN  ) (resid  55 and name HG2# ) 1.80 0.00 4.20 !!  351
 assign (resid   60 and name HN  ) (resid  59 and name HB#  ) 1.80 0.00 2.55 !!  352
 assign (resid   61 and name HN  ) (resid   7 and name HA   ) 1.80 0.00 2.70 !!  355
 assign (resid   61 and name HN  ) (resid  60 and name HB#  ) 1.80 0.00 2.70 !!  356
 assign (resid   61 and name HN  ) (resid  61 and name HG11 ) 1.80 0.00 2.05 !!  357
 assign (resid   61 and name HN  ) (resid  61 and name HG12 ) 1.80 0.00 2.05 !!  358
 assign (resid   61 and name HN  ) (resid   5 and name HG2# ) 1.80 0.00 4.20 !!  359
 assign (resid   61 and name HN  ) (resid  61 and name HG2# ) 1.80 0.00 3.20 !!  360
 assign (resid   61 and name HN  ) (resid  61 and name HD1# ) 1.80 0.00 4.20 !!  361
 assign (resid   61 and name HN  ) (resid  61 and name HB   ) 1.80 0.00 3.70 !!  362
 assign (resid   62 and name HN  ) (resid  61 and name HA   ) 1.80 0.00 1.05 !!  364
 assign (resid   62 and name HN  ) (resid  62 and name HA   ) 1.80 0.00 2.05 !!  365
 assign (resid   62 and name HN  ) (resid  62 and name HB   ) 1.80 0.00 2.05 !!  366
 assign (resid   62 and name HN  ) (resid  61 and name HB   ) 1.80 0.00 2.05 !!  367
 assign (resid   62 and name HN  ) (resid  61 and name HG2# ) 1.80 0.00 4.20 !!  368
 assign (resid   62 and name HN  ) (resid  62 and name HG2# ) 1.80 0.00 4.20 !!  369
 assign (resid   63 and name HN  ) (resid   6 and name HE1  ) 1.80 0.00 2.70 !!  371
 assign (resid   63 and name HN  ) (resid   6 and name HD1  ) 1.80 0.00 3.70 !!  372
 assign (resid   63 and name HN  ) (resid  63 and name HA   ) 1.80 0.00 2.05 !!  374
 assign (resid   63 and name HN  ) (resid  63 and name HB   ) 1.80 0.00 1.05 !!  375
 assign (resid   63 and name HN  ) (resid  63 and name HG12 ) 1.80 0.00 2.05 !!  376
 assign (resid   63 and name HN  ) (resid  63 and name HG2# ) 1.80 0.00 3.20 !!  377
 assign (resid   64 and name HN  ) (resid  34 and name HN   ) 1.80 0.00 2.05 !!  378
 assign (resid   64 and name HN  ) (resid  64 and name HA   ) 1.80 0.00 2.05 !!  379
 assign (resid   64 and name HN  ) (resid  64 and name HB1  ) 1.80 0.00 2.05 !!  381
 assign (resid   64 and name HN  ) (resid  64 and name HB2  ) 1.80 0.00 2.05 !!  382
 assign (resid   64 and name HN  ) (resid  34 and name HB2  ) 1.80 0.00 3.70 !!  383
 assign (resid   64 and name HN  ) (resid  63 and name HG12 ) 1.80 0.00 2.70 !!  384
 assign (resid   64 and name HN  ) (resid  63 and name HG2# ) 1.80 0.00 2.55 !!  385
 assign (resid   65 and name HN  ) (resid  64 and name HA   ) 1.80 0.00 1.05 !!  386
 assign (resid   65 and name HN  ) (resid  64 and name HB2  ) 1.80 0.00 2.05 !!  387
 assign (resid   65 and name HN  ) (resid  64 and name HB1  ) 1.80 0.00 2.70 !!  388
 assign (resid   65 and name HN  ) (resid   3 and name HB1  ) 1.80 0.00 3.70 !!  389
 assign (resid   65 and name HN  ) (resid  65 and name HB#  ) 1.80 0.00 2.55 !!  390
 assign (resid   65 and name HN  ) (resid   2 and name HB#  ) 1.80 0.00 4.20 !!  391
 assign (resid   65 and name HN  ) (resid  63 and name HG2# ) 1.80 0.00 3.20 !!  392
 assign (resid   66 and name HN  ) (resid  65 and name HA   ) 1.80 0.00 1.05 !!  394
 assign (resid   66 and name HN  ) (resid  66 and name HA   ) 1.80 0.00 2.05 !!  395
 assign (resid   66 and name HN  ) (resid  33 and name HA   ) 1.80 0.00 2.05 !!  396
 assign (resid   66 and name HN  ) (resid  32 and name HB2  ) 1.80 0.00 2.05 !!  397
 assign (resid   66 and name HN  ) (resid  65 and name HB#  ) 1.80 0.00 3.20 !!  398
 assign (resid   66 and name HN  ) (resid  31 and name HB#  ) 1.80 0.00 3.20 !!  399
 assign (resid   66 and name HN  ) (resid  33 and name HG1# ) 1.80 0.00 4.20 !!  400
 assign (resid   67 and name HN  ) (resid  66 and name HB1  ) 1.80 0.00 2.70 !!  401
 assign (resid   67 and name HN  ) (resid  67 and name HA2  ) 1.80 0.00 2.05 !!  402
 assign (resid   67 and name HN  ) (resid  67 and name HA1  ) 1.80 0.00 2.05 !!  403
 assign (resid   67 and name HN  ) (resid  66 and name HA   ) 1.80 0.00 1.05 !!  404
 assign (resid   67 and name HN  ) (resid  70 and name HG1  ) 1.80 0.00 3.70 !!  405
 assign (resid   67 and name HN  ) (resid  70 and name HG2  ) 1.80 0.00 2.70 !!  406
 assign (resid   67 and name HN  ) (resid  70 and name HB1  ) 1.80 0.00 2.05 !!  407
 assign (resid   67 and name HN  ) (resid  70 and name HB2  ) 1.80 0.00 2.60 !!  408
 assign (resid   67 and name HN  ) (resid  31 and name HB#  ) 1.80 0.00 4.20 !!  409
 assign (resid   69 and name HN  ) (resid  70 and name HN   ) 1.80 0.00 2.05 !!  410
 assign (resid   69 and name HN  ) (resid  69 and name HA   ) 1.80 0.00 2.05 !!  411
 assign (resid   69 and name HN  ) (resid  68 and name HA   ) 1.80 0.00 2.05 !!  412
 assign (resid   69 and name HN  ) (resid  69 and name HB2  ) 1.80 0.00 2.70 !!  413
 assign (resid   69 and name HN  ) (resid  69 and name HB1  ) 1.80 0.00 2.05 !!  414
 assign (resid   69 and name HN  ) (resid  30 and name HB#  ) 1.80 0.00 3.70 !!  415
 assign (resid   69 and name HN  ) (resid  68 and name HB#  ) 1.80 0.00 2.55 !!  416
 assign (resid   69 and name HN  ) (resid  31 and name HB#  ) 1.80 0.00 3.20 !!  417
 assign (resid   70 and name HN  ) (resid  67 and name HN   ) 1.80 0.00 2.70 !!  418
 assign (resid   70 and name HN  ) (resid  71 and name HN   ) 1.80 0.00 2.05 !!  419
 assign (resid   70 and name HN  ) (resid  69 and name HA   ) 1.80 0.00 2.05 !!  421
 assign (resid   70 and name HN  ) (resid  70 and name HA   ) 1.80 0.00 2.05 !!  422
 assign (resid   70 and name HN  ) (resid  70 and name HG2  ) 1.80 0.00 1.05 !!  423
 assign (resid   70 and name HN  ) (resid  70 and name HG1  ) 1.80 0.00 2.05 !!  424
 assign (resid   70 and name HN  ) (resid  70 and name HB1  ) 1.80 0.00 2.05 !!  425
 assign (resid   70 and name HN  ) (resid  70 and name HB2  ) 1.80 0.00 2.05 !!  426
 assign (resid   70 and name HN  ) (resid  31 and name HB#  ) 1.80 0.00 4.20 !!  427
 assign (resid   71 and name HN  ) (resid  72 and name HN   ) 1.80 0.00 2.05 !!  428
 assign (resid   71 and name HN  ) (resid  70 and name HA   ) 1.80 0.00 2.05 !!  429
 assign (resid   72 and name HN  ) (resid  73 and name HN   ) 1.80 0.00 2.05 !!  431
 assign (resid   72 and name HN  ) (resid  72 and name HA   ) 1.80 0.00 2.05 !!  432
 assign (resid   72 and name HN  ) (resid  71 and name HA   ) 1.80 0.00 3.70 !!  433
 assign (resid   72 and name HN  ) (resid  72 and name HB2  ) 1.80 0.00 1.05 !!  434
 assign (resid   72 and name HN  ) (resid  73 and name HB#  ) 1.80 0.00 4.20 !!  435
 assign (resid   73 and name HN  ) (resid  72 and name HA   ) 1.80 0.00 2.70 !!  436
 assign (resid   73 and name HN  ) (resid  70 and name HA   ) 1.80 0.00 2.70 !!  437
 assign (resid   73 and name HN  ) (resid  73 and name HA   ) 1.80 0.00 2.05 !!  438
 assign (resid   73 and name HN  ) (resid  73 and name HB#  ) 1.80 0.00 2.55 !!  439
 assign (resid   74 and name HN  ) (resid  73 and name HN   ) 1.80 0.00 2.05 !!  440
 assign (resid   74 and name HN  ) (resid  75 and name HN   ) 1.80 0.00 2.05 !!  441
 assign (resid   74 and name HN  ) (resid  71 and name HA   ) 1.80 0.00 2.70 !!  442
 assign (resid   74 and name HN  ) (resid  74 and name HA   ) 1.80 0.00 2.05 !!  443
 assign (resid   74 and name HN  ) (resid  73 and name HA   ) 1.80 0.00 3.70 !!  444
 assign (resid   74 and name HN  ) (resid  74 and name HG   ) 1.80 0.00 2.05 !!  445
 assign (resid   74 and name HN  ) (resid  65 and name HB#  ) 1.80 0.00 4.20 !!  446
 assign (resid   74 and name HN  ) (resid  74 and name HD## ) 1.80 0.00 3.20 !!  447
 assign (resid   75 and name HN  ) (resid  75 and name HA   ) 1.80 0.00 2.05 !!  449
 assign (resid   75 and name HN  ) (resid  72 and name HA   ) 1.80 0.00 2.70 !!  450
 assign (resid   75 and name HN  ) (resid  74 and name HA   ) 1.80 0.00 2.70 !!  451
 assign (resid   75 and name HN  ) (resid  75 and name HB#  ) 1.80 0.00 2.05 !!  452
 assign (resid   75 and name HN  ) (resid  74 and name HD1# ) 1.80 0.00 4.20 !!  453
 assign (resid   76 and name HN  ) (resid  77 and name HN   ) 1.80 0.00 2.05 !!  454
 assign (resid   76 and name HN  ) (resid  75 and name HA   ) 1.80 0.00 3.70 !!  455
 assign (resid   76 and name HN  ) (resid  76 and name HA   ) 1.80 0.00 2.05 !!  456
 assign (resid   76 and name HN  ) (resid  75 and name HB#  ) 1.80 0.00 2.70 !!  457
 assign (resid   76 and name HN  ) (resid  73 and name HA   ) 1.80 0.00 2.70 !!  458
 assign (resid   76 and name HN  ) (resid  76 and name HB#  ) 1.80 0.00 2.55 !!  459
 assign (resid   77 and name HN  ) (resid  78 and name HN   ) 1.80 0.00 1.05 !!  461
 assign (resid   77 and name HN  ) (resid  76 and name HA   ) 1.80 0.00 2.70 !!  462
 assign (resid   77 and name HN  ) (resid  77 and name HB2  ) 1.80 0.00 2.05 !!  463
 assign (resid   77 and name HN  ) (resid  77 and name HB1  ) 1.80 0.00 2.05 !!  464
 assign (resid   77 and name HN  ) (resid  77 and name HG   ) 1.80 0.00 2.05 !!  465
 assign (resid   77 and name HN  ) (resid  76 and name HB#  ) 1.80 0.00 2.55 !!  466
 assign (resid   77 and name HN  ) (resid  77 and name HD1# ) 1.80 0.00 4.20 !!  467
 assign (resid   78 and name HN  ) (resid  79 and name HN   ) 1.80 0.00 2.05 !!  470
 assign (resid   78 and name HN  ) (resid  78 and name HA   ) 1.80 0.00 2.05 !!  471
 assign (resid   78 and name HN  ) (resid  74 and name HB2  ) 1.80 0.00 3.70 !!  472
 assign (resid   78 and name HN  ) (resid  77 and name HB1  ) 1.80 0.00 2.70 !!  473
 assign (resid   79 and name HN  ) (resid  80 and name HN   ) 1.80 0.00 2.05 !!  475
 assign (resid   79 and name HN  ) (resid  79 and name HA   ) 1.80 0.00 2.05 !!  476
 assign (resid   79 and name HN  ) (resid  78 and name HA   ) 1.80 0.00 2.70 !!  477
 assign (resid   79 and name HN  ) (resid  79 and name HB#  ) 1.80 0.00 1.05 !!  478
 assign (resid   80 and name HN  ) (resid  80 and name HG2# ) 1.80 0.00 4.20 !!  480
 assign (resid   80 and name HN  ) (resid  79 and name HB#  ) 1.80 0.00 2.70 !!  481
 assign (resid   81 and name HN  ) (resid  82 and name HN   ) 1.80 0.00 2.05 !!  482
 assign (resid   81 and name HN  ) (resid  80 and name HB   ) 1.80 0.00 2.05 !!  483
 assign (resid   81 and name HN  ) (resid  81 and name HA   ) 1.80 0.00 2.05 !!  484
 assign (resid   81 and name HN  ) (resid  81 and name HB2  ) 1.80 0.00 2.05 !!  486
 assign (resid   81 and name HN  ) (resid  81 and name HG1  ) 1.80 0.00 2.05 !!  487
 assign (resid   81 and name HN  ) (resid  80 and name HG2# ) 1.80 0.00 4.20 !!  488
 assign (resid   81 and name HN  ) (resid  22 and name HD## ) 1.80 0.00 4.20 !!  489
 assign (resid   82 and name HN  ) (resid  83 and name HN   ) 1.80 0.00 2.05 !!  491
 assign (resid   82 and name HN  ) (resid  82 and name HA   ) 1.80 0.00 2.05 !!  492
 assign (resid   82 and name HN  ) (resid  79 and name HA   ) 1.80 0.00 2.05 !!  493
 assign (resid   82 and name HN  ) (resid  81 and name HA   ) 1.80 0.00 3.70 !!  494
 assign (resid   83 and name HN  ) (resid  84 and name HN   ) 1.80 0.00 2.05 !!  496
 assign (resid   83 and name HN  ) (resid  83 and name HA   ) 1.80 0.00 2.05 !!  498
 assign (resid   83 and name HN  ) (resid  82 and name HA   ) 1.80 0.00 2.70 !!  499
 assign (resid   83 and name HN  ) (resid  82 and name HB#  ) 1.80 0.00 2.05 !!  500
 assign (resid   84 and name HN  ) (resid  85 and name HN   ) 1.80 0.00 2.05 !!  501
 assign (resid   84 and name HN  ) (resid  84 and name HA   ) 1.80 0.00 2.05 !!  503
 assign (resid   84 and name HN  ) (resid  83 and name HA   ) 1.80 0.00 2.70 !!  504
 assign (resid   84 and name HN  ) (resid  81 and name HA   ) 1.80 0.00 3.70 !!  505
 assign (resid   84 and name HN  ) (resid  86 and name HG   ) 1.80 0.00 2.70 !!  506
 assign (resid   84 and name HN  ) (resid  84 and name HB2  ) 1.80 0.00 2.05 !!  507
 assign (resid   85 and name HN  ) (resid  86 and name HN   ) 1.80 0.00 2.05 !!  508
 assign (resid   85 and name HN  ) (resid  84 and name HB2  ) 1.80 0.00 2.70 !!  510
 assign (resid   85 and name HN  ) (resid  84 and name HA   ) 1.80 0.00 2.05 !!  511
 assign (resid   86 and name HN  ) (resid  87 and name HN   ) 1.80 0.00 2.05 !!  513
 assign (resid   86 and name HN  ) (resid  85 and name HA2  ) 1.80 0.00 2.05 !!  514
 assign (resid   86 and name HN  ) (resid  86 and name HA   ) 1.80 0.00 2.05 !!  515
 assign (resid   86 and name HN  ) (resid  86 and name HB2  ) 1.80 0.00 1.05 !!  516
 assign (resid   86 and name HN  ) (resid  86 and name HG   ) 1.80 0.00 2.05 !!  517
 assign (resid   86 and name HN  ) (resid  86 and name HB1  ) 1.80 0.00 2.05 !!  518
 assign (resid   86 and name HN  ) (resid  86 and name HD1# ) 1.80 0.00 3.20 !!  519
 assign (resid   87 and name HN  ) (resid  87 and name HA2  ) 1.80 0.00 2.05 !!  521
 assign (resid   87 and name HN  ) (resid  85 and name HA2  ) 1.80 0.00 2.70 !!  522
 assign (resid   87 and name HN  ) (resid  87 and name HA1  ) 1.80 0.00 2.05 !!  523
 assign (resid   87 and name HN  ) (resid  86 and name HB2  ) 1.80 0.00 2.05 !!  525
 assign (resid   88 and name HN  ) (resid  88 and name HA   ) 1.80 0.00 2.05 !!  527
 assign (resid   88 and name HN  ) (resid  87 and name HA1  ) 1.80 0.00 2.05 !!  528
 assign (resid   88 and name HN  ) (resid  87 and name HA2  ) 1.80 0.00 2.05 !!  529
 assign (resid   88 and name HN  ) (resid  88 and name HG2  ) 1.80 0.00 1.05 !!  530
 set message=on echo=on end
 set message=off echo=off end
!! C13 NOESY Constraints
 assign (resid    2 and name HB# ) (resid  66 and name HA   ) 1.80 0.00 3.20 !!    1
 assign (resid    3 and name HA  ) (resid  64 and name HA   ) 1.80 0.00 1.05 !!    2
 assign (resid    3 and name HA  ) (resid  64 and name HB2  ) 1.80 0.00 2.70 !!    3
 assign (resid    3 and name HA  ) (resid   3 and name HB1  ) 1.80 0.00 1.05 !!    4
 assign (resid    3 and name HA  ) (resid   3 and name HB2  ) 1.80 0.00 2.05 !!    5
 assign (resid    3 and name HA  ) (resid  63 and name HG2# ) 1.80 0.00 3.20 !!    6
 assign (resid    3 and name HA  ) (resid  74 and name HD2# ) 1.80 0.00 4.20 !!    7
 assign (resid    4 and name HB2 ) (resid   4 and name HA   ) 1.80 0.00 2.05 !!    9
 assign (resid    4 and name HB2 ) (resid  74 and name HD2# ) 1.80 0.00 4.20 !!   10
 assign (resid    4 and name HG# ) (resid   4 and name HA   ) 1.80 0.00 2.70 !!   11
 assign (resid    5 and name HA  ) (resid   5 and name HG2# ) 1.80 0.00 3.20 !!   12
 assign (resid    5 and name HB  ) (resid   5 and name HA   ) 1.80 0.00 2.70 !!   14
 assign (resid    6 and name HA  ) (resid   6 and name HB1  ) 1.80 0.00 1.05 !!   15
 assign (resid    6 and name HA  ) (resid   6 and name HB2  ) 1.80 0.00 2.05 !!   16
 assign (resid    6 and name HB2 ) (resid  61 and name HD1# ) 1.80 0.00 4.20 !!   20
 assign (resid    6 and name HB1 ) (resid  61 and name HD1# ) 1.80 0.00 4.20 !!   21
 assign (resid    6 and name HB2 ) (resid  61 and name HG11 ) 1.80 0.00 2.70 !!   22
 assign (resid    6 and name HB1 ) (resid  61 and name HG11 ) 1.80 0.00 2.70 !!   23
 assign (resid    6 and name HB1 ) (resid  61 and name HG12 ) 1.80 0.00 2.70 !!   24
 assign (resid    8 and name HA  ) (resid  87 and name HA1  ) 1.80 0.00 2.05 !!   25
 assign (resid    8 and name HA  ) (resid  87 and name HA2  ) 1.80 0.00 2.05 !!   26
 assign (resid    8 and name HA  ) (resid   8 and name HB   ) 1.80 0.00 2.70 !!   27
 assign (resid    8 and name HA  ) (resid   8 and name HG1# ) 1.80 0.00 3.20 !!   28
 assign (resid    8 and name HA  ) (resid   8 and name HG2# ) 1.80 0.00 3.20 !!   29
 assign (resid    8 and name HB  ) (resid  59 and name HB#  ) 1.80 0.00 2.55 !!   30
 assign (resid    8 and name HG1#) (resid  13 and name HA2  ) 1.80 0.00 3.20 !!   31
 assign (resid    8 and name HG1#) (resid  57 and name HA   ) 1.80 0.00 3.20 !!   32
 assign (resid   10 and name HB# ) (resid  86 and name HD2# ) 1.80 0.00 3.20 !!   34
 assign (resid   10 and name HB# ) (resid   8 and name HG1# ) 1.80 0.00 3.20 !!   35
 assign (resid   11 and name HA  ) (resid  57 and name HD#  ) 1.80 0.00 2.05 !!   36
 assign (resid   13 and name HA1 ) (resid  56 and name HA   ) 1.80 0.00 1.05 !!   37
 assign (resid   13 and name HA2 ) (resid  56 and name HA   ) 1.80 0.00 2.70 !!   38
 assign (resid   14 and name HA  ) (resid  14 and name HG12 ) 1.80 0.00 2.05 !!   39
 assign (resid   14 and name HA  ) (resid  14 and name HG11 ) 1.80 0.00 2.70 !!   40
 assign (resid   14 and name HA  ) (resid  18 and name HG2  ) 1.80 0.00 2.70 !!   41
 assign (resid   14 and name HB  ) (resid  55 and name HB   ) 1.80 0.00 1.05 !!   42
 assign (resid   14 and name HB  ) (resid  55 and name HG2# ) 1.80 0.00 3.20 !!   43
 assign (resid   14 and name HB  ) (resid  14 and name HG12 ) 1.80 0.00 2.05 !!   44
 assign (resid   14 and name HG2#) (resid  14 and name HA   ) 1.80 0.00 3.20 !!   45
 assign (resid   14 and name HG2#) (resid  14 and name HG12 ) 1.80 0.00 3.20 !!   46
 assign (resid   14 and name HD1#) (resid  14 and name HA   ) 1.80 0.00 3.20 !!   47
 assign (resid   15 and name HA  ) (resid  51 and name HG## ) 1.80 0.00 4.20 !!   48
 assign (resid   15 and name HA  ) (resid  15 and name HB1  ) 1.80 0.00 1.05 !!   49
 assign (resid   15 and name HA  ) (resid  15 and name HB2  ) 1.80 0.00 2.05 !!   50
 assign (resid   16 and name HA  ) (resid  19 and name HB#  ) 1.80 0.00 3.20 !!   51
 assign (resid   16 and name HA  ) (resid  47 and name HG2# ) 1.80 0.00 3.20 !!   52
 assign (resid   16 and name HB# ) (resid  47 and name HG2# ) 1.80 0.00 3.20 !!   53
 assign (resid   17 and name HA  ) (resid  20 and name HB   ) 1.80 0.00 2.70 !!   54
 assign (resid   17 and name HA  ) (resid  17 and name HB#  ) 1.80 0.00 2.05 !!   55
 assign (resid   17 and name HA  ) (resid  17 and name HG#  ) 1.80 0.00 2.05 !!   56
 assign (resid   17 and name HA  ) (resid  20 and name HG2# ) 1.80 0.00 4.20 !!   57
 assign (resid   17 and name HB# ) (resid  17 and name HD#  ) 1.80 0.00 2.05 !!   61
 assign (resid   17 and name HD# ) (resid  17 and name HA   ) 1.80 0.00 2.70 !!   62
 assign (resid   18 and name HA  ) (resid  21 and name HB   ) 1.80 0.00 2.05 !!   65
 assign (resid   18 and name HA  ) (resid  86 and name HD## ) 1.80 0.00 4.20 !!   66
 assign (resid   18 and name HB1 ) (resid  86 and name HD## ) 1.80 0.00 4.20 !!   68
 assign (resid   19 and name HA  ) (resid  22 and name HD## ) 1.80 0.00 4.20 !!   70
 assign (resid   19 and name HA  ) (resid  22 and name HG   ) 1.80 0.00 2.70 !!   71
 assign (resid   19 and name HA  ) (resid  22 and name HB2  ) 1.80 0.00 2.70 !!   72
 assign (resid   19 and name HA  ) (resid  50 and name HG1# ) 1.80 0.00 3.20 !!   73
 assign (resid   19 and name HB# ) (resid  18 and name HB2  ) 1.80 0.00 4.20 !!   75
 assign (resid   19 and name HB# ) (resid  50 and name HG1# ) 1.80 0.00 3.20 !!   77
 assign (resid   19 and name HB# ) (resid  47 and name HG2# ) 1.80 0.00 3.20 !!   78
 assign (resid   19 and name HB# ) (resid  47 and name HG12 ) 1.80 0.00 3.20 !!   79
 assign (resid   20 and name HA  ) (resid  20 and name HB   ) 1.80 0.00 2.70 !!   80
 assign (resid   20 and name HA  ) (resid  23 and name HB   ) 1.80 0.00 2.05 !!   81
 assign (resid   20 and name HA  ) (resid  20 and name HG2# ) 1.80 0.00 3.20 !!   82
 assign (resid   20 and name HA  ) (resid  23 and name HG## ) 1.80 0.00 3.20 !!   83
 assign (resid   21 and name HA  ) (resid  24 and name HB2  ) 1.80 0.00 2.70 !!   84
 assign (resid   21 and name HA  ) (resid  21 and name HB   ) 1.80 0.00 1.05 !!   85
 assign (resid   21 and name HA  ) (resid  21 and name HG2# ) 1.80 0.00 3.20 !!   86
 assign (resid   21 and name HB  ) (resid  22 and name HG   ) 1.80 0.00 1.05 !!   87
 assign (resid   22 and name HA  ) (resid  25 and name HB   ) 1.80 0.00 2.05 !!   88
 assign (resid   22 and name HA  ) (resid  22 and name HD## ) 1.80 0.00 3.20 !!   89
 assign (resid   22 and name HB2 ) (resid  22 and name HA   ) 1.80 0.00 2.05 !!   90
 assign (resid   22 and name HB1 ) (resid  22 and name HA   ) 1.80 0.00 2.05 !!   92
 assign (resid   22 and name HB2 ) (resid  22 and name HD## ) 1.80 0.00 3.20 !!   93
 assign (resid   22 and name HB1 ) (resid  22 and name HD## ) 1.80 0.00 3.20 !!   94
 assign (resid   22 and name HB1 ) (resid  22 and name HG   ) 1.80 0.00 2.05 !!   95
 assign (resid   22 and name HB2 ) (resid  22 and name HG   ) 1.80 0.00 1.05 !!   96
 assign (resid   22 and name HD##) (resid  86 and name HD## ) 1.80 0.00 4.20 !!   99
 assign (resid   23 and name HA  ) (resid  26 and name HB#  ) 1.80 0.00 3.20 !!  101
 assign (resid   23 and name HA  ) (resid  23 and name HG1# ) 1.80 0.00 2.55 !!  102
 assign (resid   23 and name HG2#) (resid  45 and name HA   ) 1.80 0.00 3.20 !!  107
 assign (resid   23 and name HG2#) (resid  23 and name HA   ) 1.80 0.00 3.20 !!  108
 assign (resid   23 and name HG2#) (resid  45 and name HB#  ) 1.80 0.00 3.20 !!  109
 assign (resid   24 and name HA  ) (resid  23 and name HG2# ) 1.80 0.00 3.20 !!  110
 assign (resid   24 and name HA  ) (resid  24 and name HG1  ) 1.80 0.00 2.70 !!  111
 assign (resid   24 and name HA  ) (resid  24 and name HG2  ) 1.80 0.00 2.05 !!  112
 assign (resid   24 and name HA  ) (resid  24 and name HB1  ) 1.80 0.00 2.05 !!  113
 assign (resid   24 and name HA  ) (resid  24 and name HB2  ) 1.80 0.00 2.05 !!  114
 assign (resid   24 and name HG2 ) (resid  24 and name HB1  ) 1.80 0.00 1.05 !!  119
 assign (resid   24 and name HG1 ) (resid  24 and name HB1  ) 1.80 0.00 1.05 !!  120
 assign (resid   24 and name HG1 ) (resid  24 and name HB2  ) 1.80 0.00 1.05 !!  121
 assign (resid   24 and name HG2 ) (resid  24 and name HB2  ) 1.80 0.00 1.05 !!  122
 assign (resid   24 and name HG1 ) (resid  20 and name HB   ) 1.80 0.00 2.70 !!  118
 assign (resid   25 and name HA  ) (resid  25 and name HB   ) 1.80 0.00 2.05 !!  123
 assign (resid   25 and name HA  ) (resid  28 and name HB#  ) 1.80 0.00 2.70 !!  124
 assign (resid   25 and name HA  ) (resid  25 and name HG2# ) 1.80 0.00 3.20 !!  125
 assign (resid   25 and name HB  ) (resid  77 and name HD2# ) 1.80 0.00 3.20 !!  126
 assign (resid   25 and name HG2#) (resid  77 and name HD1# ) 1.80 0.00 4.20 !!  127
 assign (resid   29 and name HA  ) (resid  29 and name HB1  ) 1.80 0.00 2.05 !!  129
 assign (resid   29 and name HA  ) (resid  29 and name HB2  ) 1.80 0.00 2.05 !!  130
 assign (resid   29 and name HB2 ) (resid  73 and name HB#  ) 1.80 0.00 3.20 !!  131
 assign (resid   29 and name HB1 ) (resid  73 and name HB#  ) 1.80 0.00 3.20 !!  132
 assign (resid   30 and name HA  ) (resid  30 and name HB#  ) 1.80 0.00 2.05 !!  133
 assign (resid   31 and name HA  ) (resid  67 and name HA1  ) 1.80 0.00 1.05 !!  135
 assign (resid   31 and name HA  ) (resid  67 and name HA2  ) 1.80 0.00 2.05 !!  136
 assign (resid   31 and name HB# ) (resid  67 and name HA1  ) 1.80 0.00 3.20 !!  137
 assign (resid   31 and name HB# ) (resid  70 and name HA   ) 1.80 0.00 3.20 !!  138
 assign (resid   32 and name HA  ) (resid  32 and name HB1  ) 1.80 0.00 1.05 !!  139
 assign (resid   32 and name HA  ) (resid  32 and name HB2  ) 1.80 0.00 2.05 !!  140
 assign (resid   33 and name HA  ) (resid  65 and name HA   ) 1.80 0.00 1.05 !!  141
 assign (resid   33 and name HA  ) (resid  65 and name HB#  ) 1.80 0.00 2.70 !!  142
 assign (resid   33 and name HG1#) (resid  33 and name HA   ) 1.80 0.00 2.55 !!  143
 assign (resid   33 and name HG1#) (resid  65 and name HB#  ) 1.80 0.00 1.55 !!  144
 assign (resid   33 and name HG1#) (resid  29 and name HB2  ) 1.80 0.00 2.55 !!  145
 assign (resid   33 and name HG1#) (resid  65 and name HA   ) 1.80 0.00 2.55 !!  146
 assign (resid   33 and name HG2#) (resid  33 and name HA   ) 1.80 0.00 2.55 !!  147
 assign (resid   33 and name HG2#) (resid  65 and name HA   ) 1.80 0.00 3.20 !!  148
 assign (resid   34 and name HA  ) (resid  43 and name HA   ) 1.80 0.00 2.05 !!  149
 assign (resid   34 and name HA  ) (resid  41 and name HG2# ) 1.80 0.00 3.20 !!  150
 assign (resid   34 and name HB# ) (resid  41 and name HG2# ) 1.80 0.00 3.20 !!  151
 assign (resid   35 and name HA  ) (resid  35 and name HD## ) 1.80 0.00 3.20 !!  152
 assign (resid   35 and name HA  ) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!  153
 assign (resid   35 and name HB2 ) (resid  35 and name HA   ) 1.80 0.00 2.70 !!  154
 assign (resid   35 and name HB1 ) (resid  35 and name HA   ) 1.80 0.00 2.05 !!  155
 assign (resid   35 and name HB2 ) (resid  63 and name HG12 ) 1.80 0.00 2.70 !!  156
 assign (resid   35 and name HG  ) (resid  35 and name HA   ) 1.80 0.00 2.05 !!  157
 assign (resid   35 and name HD##) (resid  50 and name HG## ) 1.80 0.00 4.20 !!  159
 assign (resid   36 and name HA  ) (resid  41 and name HA   ) 1.80 0.00 1.05 !!  160
 assign (resid   36 and name HA  ) (resid  41 and name HG2# ) 1.80 0.00 3.20 !!  161
 assign (resid   36 and name HG2 ) (resid  36 and name HA   ) 1.80 0.00 2.05 !!  162
 assign (resid   36 and name HG1 ) (resid  36 and name HA   ) 1.80 0.00 2.70 !!  163
 assign (resid   37 and name HA  ) (resid  61 and name HG2# ) 1.80 0.00 3.20 !!  164
 assign (resid   37 and name HA  ) (resid  61 and name HA   ) 1.80 0.00 2.70 !!  165
 assign (resid   37 and name HA  ) (resid  37 and name HB1  ) 1.80 0.00 2.05 !!  166
 assign (resid   37 and name HA  ) (resid  37 and name HB2  ) 1.80 0.00 2.05 !!  167
 assign (resid   37 and name HB1 ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!  170
 assign (resid   37 and name HB2 ) (resid  53 and name HD## ) 1.80 0.00 4.20 !!  171
 assign (resid   38 and name HA  ) (resid  38 and name HB1  ) 1.80 0.00 2.05 !!  172
 assign (resid   38 and name HA  ) (resid  38 and name HB2  ) 1.80 0.00 2.05 !!  173
 assign (resid   40 and name HB# ) (resid  40 and name HA   ) 1.80 0.00 1.05 !!  174
 assign (resid   41 and name HA  ) (resid  41 and name HB   ) 1.80 0.00 2.05 !!  176
 assign (resid   41 and name HA  ) (resid  36 and name HB2  ) 1.80 0.00 2.70 !!  177
 assign (resid   41 and name HG2#) (resid  41 and name HA   ) 1.80 0.00 3.20 !!  180
 assign (resid   42 and name HA  ) (resid  42 and name HB   ) 1.80 0.00 2.05 !!  181
 assign (resid   42 and name HA  ) (resid  42 and name HG1# ) 1.80 0.00 3.20 !!  182
 assign (resid   42 and name HB  ) (resid  49 and name HA1  ) 1.80 0.00 2.70 !!  183
 assign (resid   42 and name HG2#) (resid  50 and name HA   ) 1.80 0.00 3.20 !!  184
 assign (resid   42 and name HG2#) (resid  50 and name HG2# ) 1.80 0.00 3.20 !!  185
 assign (resid   43 and name HA  ) (resid  43 and name HB#  ) 1.80 0.00 2.05 !!  187
 assign (resid   43 and name HB# ) (resid  46 and name HB2  ) 1.80 0.00 2.70 !!  188
 assign (resid   43 and name HB# ) (resid  46 and name HB1  ) 1.80 0.00 2.70 !!  189
 assign (resid   44 and name HA  ) (resid  44 and name HG   ) 1.80 0.00 2.05 !!  190
 assign (resid   44 and name HA  ) (resid  50 and name HG2# ) 1.80 0.00 3.20 !!  191
 assign (resid   44 and name HA  ) (resid  44 and name HD## ) 1.80 0.00 3.20 !!  192
 assign (resid   44 and name HB1 ) (resid  44 and name HG   ) 1.80 0.00 2.05 !!  193
 assign (resid   44 and name HB2 ) (resid  44 and name HD## ) 1.80 0.00 3.20 !!  194
 assign (resid   44 and name HB1 ) (resid  44 and name HD## ) 1.80 0.00 3.20 !!  195
 assign (resid   46 and name HA  ) (resid  46 and name HB1  ) 1.80 0.00 2.70 !!  199
 assign (resid   46 and name HA  ) (resid  46 and name HB2  ) 1.80 0.00 2.05 !!  200
 assign (resid   47 and name HA  ) (resid  47 and name HG11 ) 1.80 0.00 2.70 !!  201
 assign (resid   47 and name HA  ) (resid  16 and name HB#  ) 1.80 0.00 4.20 !!  202
 assign (resid   47 and name HA  ) (resid  47 and name HG12 ) 1.80 0.00 2.05 !!  203
 assign (resid   47 and name HA  ) (resid  23 and name HB   ) 1.80 0.00 2.70 !!  204
 assign (resid   47 and name HB  ) (resid  47 and name HA   ) 1.80 0.00 2.05 !!  205
 assign (resid   47 and name HB  ) (resid  47 and name HG12 ) 1.80 0.00 2.05 !!  206
 assign (resid   47 and name HB  ) (resid  47 and name HG11 ) 1.80 0.00 2.05 !!  207
 assign (resid   47 and name HG2#) (resid  47 and name HA   ) 1.80 0.00 3.20 !!  208
 assign (resid   47 and name HG2#) (resid  47 and name HG12 ) 1.80 0.00 3.20 !!  210
 assign (resid   47 and name HD1#) (resid  19 and name HB#  ) 1.80 0.00 4.20 !!  211
 assign (resid   48 and name HA  ) (resid  47 and name HG2# ) 1.80 0.00 2.70 !!  212
 assign (resid   50 and name HG1#) (resid  55 and name HG11 ) 1.80 0.00 3.20 !!  213
 assign (resid   50 and name HG1#) (resid  55 and name HG12 ) 1.80 0.00 4.20 !!  214
 assign (resid   51 and name HG##) (resid  16 and name HA   ) 1.80 0.00 3.20 !!  215
 assign (resid   53 and name HA  ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!  216
 assign (resid   53 and name HB1 ) (resid  53 and name HA   ) 1.80 0.00 2.70 !!  217
 assign (resid   53 and name HB2 ) (resid  53 and name HA   ) 1.80 0.00 2.05 !!  218
 assign (resid   53 and name HB1 ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!  219
 assign (resid   53 and name HB2 ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!  220
 assign (resid   55 and name HA  ) (resid  55 and name HG11 ) 1.80 0.00 2.05 !!  221
 assign (resid   55 and name HA  ) (resid  55 and name HD1# ) 1.80 0.00 4.20 !!  222
 assign (resid   55 and name HA  ) (resid  55 and name HG2# ) 1.80 0.00 3.20 !!  223
 assign (resid   55 and name HA  ) (resid  55 and name HG12 ) 1.80 0.00 2.05 !!  224
 assign (resid   55 and name HB  ) (resid  55 and name HA   ) 1.80 0.00 2.70 !!  225
 assign (resid   55 and name HB  ) (resid  55 and name HG2# ) 1.80 0.00 1.55 !!  226
 assign (resid   55 and name HG12) (resid  55 and name HD1# ) 1.80 0.00 3.20 !!  229
 assign (resid   55 and name HG11) (resid  55 and name HD1# ) 1.80 0.00 3.20 !!  230
 assign (resid   55 and name HG11) (resid  55 and name HB   ) 1.80 0.00 2.05 !!  231
 assign (resid   55 and name HG11) (resid  53 and name HB1  ) 1.80 0.00 2.70 !!  232
 assign (resid   55 and name HG11) (resid  53 and name HB2  ) 1.80 0.00 2.05 !!  233
 assign (resid   55 and name HG2#) (resid  55 and name HG12 ) 1.80 0.00 3.20 !!  235
 assign (resid   55 and name HG2#) (resid  59 and name HB#  ) 1.80 0.00 3.20 !!  237
 assign (resid   55 and name HG2#) (resid  55 and name HG11 ) 1.80 0.00 3.20 !!  238
 assign (resid   55 and name HG2#) (resid  55 and name HD1# ) 1.80 0.00 3.20 !!  240
 assign (resid   55 and name HG2#) (resid   8 and name HG1# ) 1.80 0.00 3.20 !!  241
 assign (resid   55 and name HD1#) (resid  55 and name HB   ) 1.80 0.00 2.55 !!  242
 assign (resid   55 and name HD1#) (resid  53 and name HD## ) 1.80 0.00 3.70 !!  243
 assign (resid   57 and name HB2 ) (resid  57 and name HA   ) 1.80 0.00 2.05 !!  247
 assign (resid   57 and name HB1 ) (resid  57 and name HA   ) 1.80 0.00 1.05 !!  248
 assign (resid   59 and name HB# ) (resid   8 and name HG1# ) 1.80 0.00 3.20 !!  252
 assign (resid   60 and name HA  ) (resid   7 and name HA   ) 1.80 0.00 1.05 !!  253
 assign (resid   60 and name HA  ) (resid  60 and name HG1  ) 1.80 0.00 2.70 !!  254
 assign (resid   60 and name HB# ) (resid  60 and name HA   ) 1.80 0.00 2.05 !!  256
 assign (resid   61 and name HA  ) (resid  61 and name HB   ) 1.80 0.00 1.05 !!  258
 assign (resid   61 and name HA  ) (resid  61 and name HG12 ) 1.80 0.00 2.70 !!  260
 assign (resid   61 and name HA  ) (resid  35 and name HD## ) 1.80 0.00 3.20 !!  261
 assign (resid   61 and name HA  ) (resid  61 and name HD1# ) 1.80 0.00 3.20 !!  262
 assign (resid   61 and name HG2#) (resid  61 and name HA   ) 1.80 0.00 3.20 !!  264
 assign (resid   61 and name HG2#) (resid  61 and name HB   ) 1.80 0.00 3.20 !!  265
 assign (resid   61 and name HG2#) (resid  37 and name HB2  ) 1.80 0.00 3.20 !!  266
 assign (resid   62 and name HA  ) (resid  62 and name HB   ) 1.80 0.00 2.05 !!  267
 assign (resid   62 and name HA  ) (resid  62 and name HG2# ) 1.80 0.00 2.55 !!  268
 assign (resid   63 and name HA  ) (resid  63 and name HG12 ) 1.80 0.00 2.05 !!  269
 assign (resid   63 and name HA  ) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!  270
 assign (resid   63 and name HB  ) (resid  63 and name HA   ) 1.80 0.00 2.70 !!  272
 assign (resid   63 and name HB  ) (resid  63 and name HG12 ) 1.80 0.00 2.05 !!  273
 assign (resid   63 and name HB  ) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!  274
 assign (resid   63 and name HG11) (resid  63 and name HA   ) 1.80 0.00 2.05 !!  275
 assign (resid   63 and name HG2#) (resid  63 and name HA   ) 1.80 0.00 3.20 !!  277
 assign (resid   63 and name HG2#) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!  278
 assign (resid   64 and name HA  ) (resid  64 and name HB2  ) 1.80 0.00 2.05 !!  281
 assign (resid   64 and name HA  ) (resid  64 and name HB1  ) 1.80 0.00 2.05 !!  282
 assign (resid   64 and name HA  ) (resid   3 and name HB1  ) 1.80 0.00 1.05 !!  283
 assign (resid   65 and name HB# ) (resid  70 and name HA   ) 1.80 0.00 2.70 !!  288
 assign (resid   66 and name HA  ) (resid  70 and name HB2  ) 1.80 0.00 2.05 !!  290
 assign (resid   66 and name HA  ) (resid  70 and name HB1  ) 1.80 0.00 2.05 !!  291
 assign (resid   66 and name HA  ) (resid  66 and name HB2  ) 1.80 0.00 1.05 !!  292
 assign (resid   66 and name HA  ) (resid  66 and name HB1  ) 1.80 0.00 1.05 !!  293
 assign (resid   66 and name HB2 ) (resid  32 and name HB2  ) 1.80 0.00 2.70 !!  294
 assign (resid   69 and name HA  ) (resid  69 and name HB2  ) 1.80 0.00 2.05 !!  298
 assign (resid   69 and name HA  ) (resid  69 and name HB1  ) 1.80 0.00 1.05 !!  299
 assign (resid   70 and name HA  ) (resid  70 and name HG2  ) 1.80 0.00 2.70 !!  302
 assign (resid   70 and name HA  ) (resid  70 and name HB2  ) 1.80 0.00 2.05 !!  303
 assign (resid   70 and name HB2 ) (resid  70 and name HG2  ) 1.80 0.00 2.05 !!  304
 assign (resid   71 and name HA  ) (resid  71 and name HB#  ) 1.80 0.00 1.05 !!  305
 assign (resid   73 and name HA  ) (resid  76 and name HB#  ) 1.80 0.00 3.20 !!  306
 assign (resid   73 and name HB# ) (resid  65 and name HB#  ) 1.80 0.00 3.20 !!  307
 assign (resid   74 and name HA  ) (resid  74 and name HD1# ) 1.80 0.00 2.55 !!  308
 assign (resid   74 and name HB# ) (resid  74 and name HA   ) 1.80 0.00 2.05 !!  309
 assign (resid   74 and name HB# ) (resid  74 and name HG   ) 1.80 0.00 1.05 !!  310
 assign (resid   74 and name HB# ) (resid  74 and name HD1# ) 1.80 0.00 3.20 !!  311
 assign (resid   74 and name HB# ) (resid  74 and name HD2# ) 1.80 0.00 3.20 !!  312
 assign (resid   74 and name HG  ) (resid  65 and name HB#  ) 1.80 0.00 3.20 !!  313
 assign (resid   74 and name HG  ) (resid  74 and name HA   ) 1.80 0.00 2.70 !!  314
 assign (resid   75 and name HA  ) (resid  75 and name HB#  ) 1.80 0.00 2.05 !!  315
 assign (resid   75 and name HA  ) (resid  78 and name HB1  ) 1.80 0.00 1.05 !!  316
 assign (resid   75 and name HB# ) (resid  72 and name HA   ) 1.80 0.00 3.70 !!  317
 assign (resid   76 and name HA  ) (resid  79 and name HG#  ) 1.80 0.00 2.70 !!  318
 assign (resid   76 and name HB# ) (resid  25 and name HG2# ) 1.80 0.00 3.20 !!  319
 assign (resid   77 and name HB1 ) (resid  77 and name HA   ) 1.80 0.00 2.05 !!  320
 assign (resid   77 and name HB2 ) (resid  77 and name HA   ) 1.80 0.00 2.70 !!  321
 assign (resid   77 and name HG  ) (resid  77 and name HA   ) 1.80 0.00 2.05 !!  322
 assign (resid   77 and name HD1#) (resid  77 and name HB2  ) 1.80 0.00 3.20 !!  323
 assign (resid   77 and name HD2#) (resid  77 and name HB2  ) 1.80 0.00 3.20 !!  325
 assign (resid   77 and name HD2#) (resid  25 and name HG2# ) 1.80 0.00 3.20 !!  326
 assign (resid   78 and name HA  ) (resid  81 and name HB2  ) 1.80 0.00 2.05 !!  327
 assign (resid   78 and name HA  ) (resid  81 and name HB1  ) 1.80 0.00 2.70 !!  328
 assign (resid   78 and name HB2 ) (resid  78 and name HA   ) 1.80 0.00 2.05 !!  330
 assign (resid   79 and name HA  ) (resid  79 and name HB#  ) 1.80 0.00 1.05 !!  331
 assign (resid   79 and name HA  ) (resid  79 and name HG#  ) 1.80 0.00 2.05 !!  332
 assign (resid   80 and name HA  ) (resid  80 and name HG2# ) 1.80 0.00 3.20 !!  333
 assign (resid   80 and name HB  ) (resid  77 and name HA   ) 1.80 0.00 2.05 !!  334
 assign (resid   80 and name HB  ) (resid  22 and name HD## ) 1.80 0.00 4.80 !!  335
 assign (resid   80 and name HG2#) (resid  22 and name HA   ) 1.80 0.00 3.20 !!  336
 assign (resid   81 and name HB2 ) (resid  81 and name HA   ) 1.80 0.00 2.05 !!  337
 assign (resid   81 and name HB2 ) (resid  81 and name HG1  ) 1.80 0.00 2.70 !!  339
 assign (resid   82 and name HA  ) (resid  82 and name HB#  ) 1.80 0.00 2.05 !!  340
 assign (resid   82 and name HA  ) (resid  82 and name HG2  ) 1.80 0.00 2.05 !!  341
 assign (resid   82 and name HB# ) (resid  79 and name HA   ) 1.80 0.00 1.05 !!  342
 assign (resid   84 and name HA  ) (resid  84 and name HB2  ) 1.80 0.00 2.05 !!  343
 assign (resid   86 and name HA  ) (resid  86 and name HD2# ) 1.80 0.00 3.20 !!  344
 assign (resid   86 and name HB2 ) (resid  86 and name HA   ) 1.80 0.00 2.70 !!  345
 assign (resid   86 and name HB1 ) (resid  86 and name HA   ) 1.80 0.00 2.70 !!  346
 assign (resid   86 and name HB2 ) (resid  81 and name HA   ) 1.80 0.00 2.70 !!  347
 assign (resid   86 and name HG  ) (resid  86 and name HA   ) 1.80 0.00 2.70 !!  348
 assign (resid   86 and name HG  ) (resid  84 and name HB1  ) 1.80 0.00 2.70 !!  349
 assign (resid   86 and name HD1#) (resid  81 and name HA   ) 1.80 0.00 3.20 !!  350
 assign (resid   86 and name HD1#) (resid  86 and name HB1  ) 1.80 0.00 3.20 !!  351
 assign (resid   86 and name HD2#) (resid  84 and name HB1  ) 1.80 0.00 3.20 !!  353
 assign (resid   86 and name HD2#) (resid  84 and name HB2  ) 1.80 0.00 4.20 !!  354
 assign (resid   86 and name HD2#) (resid  86 and name HB1  ) 1.80 0.00 3.20 !!  355
 assign (resid   86 and name HD1#) (resid  86 and name HB2  ) 1.80 0.00 2.55 !!  356
 assign (resid   88 and name HA  ) (resid  88 and name HB1  ) 1.80 0.00 2.05 !!  359
 assign (resid   88 and name HA  ) (resid  88 and name HB2  ) 1.80 0.00 2.05 !!  360
 set message=on echo=on end
 set message=off echo=off end
!! D2O 2D NOESY constraints (all aromatics)
 assign (resid   37 and name HD1 ) (resid  61 and name HA   ) 1.80 0.00 2.70 !!    2
 assign (resid   37 and name HD1 ) (resid  37 and name HA   ) 1.80 0.00 1.05 !!    3
 assign (resid   37 and name HD2 ) (resid  55 and name HG12 ) 1.80 0.00 2.70 !!    4
 assign (resid   37 and name HD2 ) (resid  55 and name HG2# ) 1.80 0.00 4.20 !!    5
 assign (resid   37 and name HD2 ) (resid  55 and name HD1# ) 1.80 0.00 4.20 !!    6
 assign (resid   37 and name HD1 ) (resid  61 and name HG2# ) 1.80 0.00 3.20 !!    7
 assign (resid   37 and name HD2 ) (resid  53 and name HD## ) 1.80 0.00 3.20 !!    8
 assign (resid   37 and name HD2 ) (resid  53 and name HB1  ) 1.80 0.00 1.05 !!    9
 assign (resid   37 and name HD2 ) (resid  53 and name HB2  ) 1.80 0.00 2.05 !!   10
 assign (resid   29 and name HD2 ) (resid  29 and name HA   ) 1.80 0.00 1.05 !!   11
 assign (resid   29 and name HD1 ) (resid  26 and name HA   ) 1.80 0.00 1.05 !!   12
 assign (resid   29 and name HD# ) (resid  73 and name HA   ) 1.80 0.00 3.20 !!   13
 assign (resid   29 and name HD1 ) (resid  29 and name HB2  ) 1.80 0.00 1.05 !!   14
 assign (resid   29 and name HD2 ) (resid  69 and name HB2  ) 1.80 0.00 2.05 !!   15
 assign (resid   29 and name HD# ) (resid  73 and name HB#  ) 1.80 0.00 3.20 !!   16
 assign (resid   29 and name HD1 ) (resid  26 and name HB#  ) 1.80 0.00 3.20 !!   17
 assign (resid   29 and name HD1 ) (resid  25 and name HG2# ) 1.80 0.00 3.20 !!   18
 assign (resid    6 and name HD1 ) (resid   5 and name HA   ) 1.80 0.00 2.70 !!   19
 assign (resid    6 and name HD2 ) (resid   6 and name HA   ) 1.80 0.00 2.70 !!   20
 assign (resid    6 and name HD2 ) (resid  88 and name HA   ) 1.80 0.00 2.05 !!   21
 assign (resid    6 and name HD1 ) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!   22
 assign (resid    6 and name HD2 ) (resid   6 and name HB1  ) 1.80 0.00 1.05 !!   23
 assign (resid    6 and name HD1 ) (resid   6 and name HB2  ) 1.80 0.00 1.05 !!   24
 assign (resid    6 and name HD1 ) (resid  63 and name HG2# ) 1.80 0.00 4.20 !!   25
 assign (resid    6 and name HD2 ) (resid  81 and name HG1  ) 1.80 0.00 2.05 !!   26
 assign (resid    6 and name HD2 ) (resid  81 and name HB1  ) 1.80 0.00 2.70 !!   27
 assign (resid    6 and name HE2 ) (resid  78 and name HA   ) 1.80 0.00 2.05 !!   28
 assign (resid    6 and name HE1 ) (resid  63 and name HD1# ) 1.80 0.00 3.20 !!   29
 assign (resid    6 and name HE1 ) (resid  63 and name HG2# ) 1.80 0.00 3.20 !!   30
 assign (resid    6 and name HE1 ) (resid  63 and name HB   ) 1.80 0.00 1.05 !!   31
 assign (resid    6 and name HE2 ) (resid  78 and name HB1  ) 1.80 0.00 2.05 !!   32
 assign (resid    6 and name HE2 ) (resid  78 and name HB2  ) 1.80 0.00 1.05 !!   33
 assign (resid    6 and name HE1 ) (resid   4 and name HB2  ) 1.80 0.00 2.70 !!   34
 assign (resid    6 and name HE1 ) (resid   4 and name HD#  ) 1.80 0.00 2.70 !!   36
 assign (resid   15 and name HD2 ) (resid  15 and name HA   ) 1.80 0.00 2.70 !!   37
 assign (resid   15 and name HE1 ) (resid  17 and name HB2  ) 1.80 0.00 2.05 !!    1
 assign (resid   15 and name HE1 ) (resid  17 and name HD#  ) 1.80 0.00 2.70 !!    Added
 assign (resid   15 and name HD2 ) (resid  15 and name HB1  ) 1.80 0.00 2.05 !!   38
 assign (resid   15 and name HD2 ) (resid  15 and name HB2  ) 1.80 0.00 2.05 !!   39
 assign (resid   15 and name HD2 ) (resid  12 and name HB2  ) 1.80 0.00 2.70 !!   40
 assign (resid   15 and name HD2 ) (resid  12 and name HB1  ) 1.80 0.00 2.70 !!    
 assign (resid   37 and name HE1 ) (resid  59 and name HA   ) 1.80 0.00 2.70 !!   41
 assign (resid   37 and name HE2 ) (resid  55 and name HA   ) 1.80 0.00 2.70 !!   42
 assign (resid   37 and name HE1 ) (resid  59 and name HB#  ) 1.80 0.00 2.55 !!   43
 assign (resid   37 and name HE2 ) (resid  55 and name HG2# ) 1.80 0.00 4.20 !!   44
 assign (resid   37 and name HE2 ) (resid  53 and name HD## ) 1.80 0.00 4.20 !!   45
 assign (resid   37 and name HE1 ) (resid  61 and name HG2# ) 1.80 0.00 4.20 !!   46
 assign (resid    6 and name HZ  ) (resid  78 and name HA   ) 1.80 0.00 2.05 !!   47
 assign (resid    6 and name HZ  ) (resid  78 and name HB2  ) 1.80 0.00 2.05 !!   48
 assign (resid    6 and name HZ  ) (resid  78 and name HB1  ) 1.80 0.00 2.05 !!   49
 assign (resid    6 and name HZ  ) (resid   4 and name HD#  ) 1.80 0.00 2.05 !!   50
 assign (resid   29 and name HE1 ) (resid  26 and name HA   ) 1.80 0.00 2.70 !!   51
 assign (resid   29 and name HE1 ) (resid  25 and name HA   ) 1.80 0.00 3.70 !!   52
 assign (resid   29 and name HE# ) (resid  73 and name HA   ) 1.80 0.00 3.20 !!   53
 assign (resid   29 and name HE2 ) (resid  72 and name HB1  ) 1.80 0.00 2.05 !!   54
 assign (resid   29 and name HE2 ) (resid  72 and name HB2  ) 1.80 0.00 1.05 !!   55
 assign (resid   29 and name HE# ) (resid  73 and name HB#  ) 1.80 0.00 4.20 !!   56
 assign (resid   29 and name HE1 ) (resid  25 and name HG2# ) 1.80 0.00 3.20 !!   57
 assign (resid   29 and name HE# ) (resid  76 and name HB#  ) 1.80 0.00 3.20 !!   58
 assign (resid   29 and name HE1 ) (resid  28 and name HB#  ) 1.80 0.00 3.20 !!   59
 set message=on echo=on end
set message=off echo=off end
!! From N15 NOESY
 assign (resid 7 and name HN ) (resid 6 and name HB2  ) 1.80 0.00 2.70
 assign (resid 8 and name HN ) (resid 7 and name HB1  ) 1.80 0.00 2.05
 assign (resid 8 and name HN ) (resid 7 and name HB2  ) 1.80 0.00 2.70
 assign (resid 9 and name HN ) (resid 8 and name HA  ) 1.80 0.00 2.05
 assign (resid 9 and name HN ) (resid 9 and name HA  ) 1.80 0.00 2.05
 assign (resid 9 and name HN ) (resid 9 and name HB  ) 1.80 0.00 2.05
 assign (resid 11 and name HN ) (resid 10 and name HA  ) 1.80 0.00 2.05
 assign (resid 11 and name HN ) (resid 11 and name HA  ) 1.80 0.00 2.05
 assign (resid 13 and name HN ) (resid 12 and name HA  ) 1.80 0.00 2.70
 assign (resid 13 and name HN ) (resid 10 and name HA  ) 1.80 0.00 2.70
 assign (resid 14 and name HN ) (resid 55 and name HD1#  ) 1.80 0.00 3.70
 assign (resid 19 and name HN ) (resid 18 and name HB1  ) 1.80 0.00 3.70
 assign (resid 20 and name HN ) (resid 19 and name HA  ) 1.80 0.00 2.05
 assign (resid 20 and name HN ) (resid 20 and name HA  ) 1.80 0.00 2.05
 assign (resid 20 and name HN ) (resid 20 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 21 and name HN ) (resid 21 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 22 and name HN ) (resid 21 and name HB  ) 1.80 0.00 2.70
 assign (resid 22 and name HN ) (resid 21 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 22 and name HN ) (resid 22 and name HA  ) 1.80 0.00 2.05
 assign (resid 22 and name HN ) (resid 77 and name HD2#  ) 1.80 0.00 3.70
 assign (resid 23 and name HN ) (resid 23 and name HG2#  ) 1.80 0.00 3.70
 assign (resid 23 and name HN ) (resid 23 and name HB  ) 1.80 0.00 2.05
 assign (resid 24 and name HN ) (resid 21 and name HA  ) 1.80 0.00 2.70
 assign (resid 24 and name HN ) (resid 24 and name HB1  ) 1.80 0.00 2.70
 assign (resid 24 and name HN ) (resid 24 and name HB2  ) 1.80 0.00 2.05
 assign (resid 24 and name HN ) (resid 23 and name HB  ) 1.80 0.00 2.70
 assign (resid 24 and name HN ) (resid 23 and name HG1#  ) 1.80 0.00 2.70
 assign (resid 24 and name HN ) (resid 23 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 26 and name HN ) (resid 77 and name HD2#  ) 1.80 0.00 2.70
 assign (resid 27 and name HN ) (resid 24 and name HA  ) 1.80 0.00 2.70
 assign (resid 28 and name HN ) (resid 25 and name HA  ) 1.80 0.00 2.05
 assign (resid 28 and name HN ) (resid 28 and name HA  ) 1.80 0.00 2.05
 assign (resid 28 and name HN ) (resid 28 and name HB#  ) 1.80 0.00 2.05
 assign (resid 28 and name HN ) (resid 28 and name HG#  ) 1.80 0.00 2.70
 assign (resid 28 and name HN ) (resid 28 and name HD1  ) 1.80 0.00 2.70
 assign (resid 28 and name HN ) (resid 27 and name HB# ) 1.80 0.00 2.70
 assign (resid 29 and name HN ) (resid 26 and name HA  ) 1.80 0.00 2.05
 assign (resid 29 and name HN ) (resid 28 and name HA  ) 1.80 0.00 2.05
 assign (resid 29 and name HN ) (resid 29 and name HD1  ) 1.80 0.00 2.05
 assign (resid 30 and name HN ) (resid 30 and name HA  ) 1.80 0.00 2.05
 assign (resid 30 and name HN ) (resid 29 and name HB2  ) 1.80 0.00 2.70
 assign (resid 31 and name HN ) (resid 29 and name HB2  ) 1.80 0.00 2.70
 assign (resid 32 and name HN ) (resid 32 and name HA  ) 1.80 0.00 2.05
 assign (resid 32 and name HN ) (resid 67 and name HA1  ) 1.80 0.00 2.05
 assign (resid 32 and name HN ) (resid 32 and name HB1  ) 1.80 0.00 2.05
 assign (resid 33 and name HN ) (resid 32 and name HB1  ) 1.80 0.00 3.70
 assign (resid 34 and name HN ) (resid 34 and name HB2  ) 1.80 0.00 1.05
 assign (resid 34 and name HN ) (resid 34 and name HB1  ) 1.80 0.00 2.05
 assign (resid 35 and name HN ) (resid 35 and name HB1  ) 1.80 0.00 2.05
 assign (resid 35 and name HN ) (resid 35 and name HG  ) 1.80 0.00 2.70
 assign (resid 35 and name HN ) (resid 44 and name HN  ) 1.80 0.00 2.70
 assign (resid 36 and name HN ) (resid 35 and name HA  ) 1.80 0.00 2.05
 assign (resid 36 and name HN ) (resid 63 and name HA  ) 1.80 0.00 2.05
 assign (resid 37 and name HN ) (resid 40 and name HA  ) 1.80 0.00 3.70
 assign (resid 37 and name HN ) (resid 36 and name HB#  ) 1.80 0.00 2.70
 assign (resid 37 and name HN ) (resid 42 and name HG2#  ) 1.80 0.00 3.70
 assign (resid 40 and name HN ) (resid 39 and name HA1  ) 1.80 0.00 2.70
 assign (resid 41 and name HN ) (resid 40 and name HA  ) 1.80 0.00 1.85
 assign (resid 41 and name HN ) (resid 41 and name HB  ) 1.80 0.00 2.05
 assign (resid 42 and name HN ) (resid 42 and name HG1#  ) 1.80 0.00 2.05
 assign (resid 43 and name HN ) (resid 43 and name HA  ) 1.80 0.00 2.05
 assign (resid 43 and name HN ) (resid 42 and name HA  ) 1.80 0.00 1.85
 assign (resid 43 and name HN ) (resid 42 and name HG1#  ) 1.80 0.00 3.70
 assign (resid 43 and name HN ) (resid 42 and name HG2#  ) 1.80 0.00 3.70
 assign (resid 46 and name HN ) (resid 45 and name HA  ) 1.80 0.00 2.05
 assign (resid 46 and name HN ) (resid 46 and name HB1  ) 1.80 0.00 2.05
 assign (resid 46 and name HN ) (resid 44 and name HD1#  ) 1.80 0.00 3.70
 assign (resid 46 and name HN ) (resid 44 and name HD2#  ) 1.80 0.00 4.20
 assign (resid 48 and name HN ) (resid 48 and name HB#  ) 1.80 0.00 2.05
 assign (resid 49 and name HN ) (resid 46 and name HA  ) 1.80 0.00 2.70
 assign (resid 50 and name HN ) (resid 49 and name HA* ) 1.80 0.00 2.70
 assign (resid 51 and name HN ) (resid 50 and name HB  ) 1.80 0.00 2.05
 assign (resid 53 and name HN ) (resid 52 and name HA  ) 1.80 0.00 2.05
 assign (resid 53 and name HN ) (resid 53 and name HB# ) 1.80 0.00 2.05
 assign (resid 53 and name HN ) (resid 53 and name HB2  ) 1.80 0.00 2.05
 assign (resid 57 and name HN ) (resid 57 and name HB1  ) 1.80 0.00 2.05
 assign (resid 57 and name HN ) (resid 57 and name HB2  ) 1.80 0.00 2.05
 assign (resid 57 and name HN ) (resid 56 and name HB# ) 1.80 0.00 2.05
 assign (resid 57 and name HN ) (resid 57 and name HA  ) 1.80 0.00 2.05
 assign (resid 58 and name HN ) (resid 57 and name HG#  ) 1.80 0.00 2.70
 assign (resid 60 and name HN ) (resid 60 and name HA  ) 1.80 0.00 2.05
 assign (resid 61 and name HN ) (resid 61 and name HA  ) 1.80 0.00 2.05
 assign (resid 63 and name HN ) (resid 62 and name HA  ) 1.80 0.00 1.85
 assign (resid 63 and name HN ) (resid 5 and name HA  ) 1.80 0.00 2.05
 assign (resid 63 and name HN ) (resid 63 and name HG11  ) 1.80 0.00 2.05
 assign (resid 64 and name HN ) (resid 63 and name HA  ) 1.80 0.00 1.85
 assign (resid 64 and name HN ) (resid 33 and name HA  ) 1.80 0.00 2.05
 assign (resid 65 and name HN ) (resid 65 and name HA  ) 1.80 0.00 2.05
 assign (resid 65 and name HN ) (resid 3 and name HA  ) 1.80 0.00 2.05
 assign (resid 65 and name HN ) (resid 74 and name HD2#  ) 1.80 0.00 3.70
 assign (resid 66 and name HN ) (resid 66 and name HB2  ) 1.80 0.00 2.05
 assign (resid 66 and name HN ) (resid 66 and name HB1  ) 1.80 0.00 2.70
 assign (resid 71 and name HN ) (resid 71 and name HB#  ) 1.80 0.00 2.05
 assign (resid 71 and name HN ) (resid 2 and name HB# ) 1.80 0.00 2.55
 assign (resid 72 and name HN ) (resid 72 and name HB1  ) 1.80 0.00 2.70
 assign (resid 73 and name HN ) (resid 72 and name HB2  ) 1.80 0.00 2.05
 assign (resid 73 and name HN ) (resid 72 and name HB1  ) 1.80 0.00 2.70
 assign (resid 74 and name HN ) (resid 74 and name HB1  ) 1.80 0.00 2.05
 assign (resid 74 and name HN ) (resid 74 and name HB2  ) 1.80 0.00 2.05
 assign (resid 75 and name HN ) (resid 74 and name HB1  ) 1.80 0.00 2.05
 assign (resid 75 and name HN ) (resid 74 and name HB2  ) 1.80 0.00 2.70
 assign (resid 77 and name HN ) (resid 77 and name HD2#  ) 1.80 0.00 2.70
 assign (resid 77 and name HN ) (resid 73 and name HB#  ) 1.80 0.00 3.70
 assign (resid 77 and name HN ) (resid 77 and name HA  ) 1.80 0.00 1.85
 assign (resid 77 and name HN ) (resid 74 and name HA  ) 1.80 0.00 2.70
 assign (resid 78 and name HN ) (resid 75 and name HA  ) 1.80 0.00 2.70
 assign (resid 78 and name HN ) (resid 78 and name HB1  ) 1.80 0.00 2.05
 assign (resid 78 and name HN ) (resid 78 and name HG# ) 1.80 0.00 2.70
 assign (resid 78 and name HN ) (resid 77 and name HB2  ) 1.80 0.00 2.05
 assign (resid 78 and name HN ) (resid 74 and name HD1#  ) 1.80 0.00 3.70
 assign (resid 78 and name HN ) (resid 77 and name HD1#  ) 1.80 0.00 2.70
 assign (resid 79 and name HN ) (resid 76 and name HA  ) 1.80 0.00 3.70
 assign (resid 79 and name HN ) (resid 78 and name HB1  ) 1.80 0.00 2.05
 assign (resid 79 and name HN ) (resid 79 and name HG1  ) 1.80 0.00 2.70
 assign (resid 79 and name HN ) (resid 79 and name HG2  ) 1.80 0.00 2.70
 assign (resid 80 and name HN ) (resid 81 and name HN  ) 1.80 0.00 2.05
 assign (resid 80 and name HN ) (resid 80 and name HA  ) 1.80 0.00 2.05
 assign (resid 80 and name HN ) (resid 80 and name HB  ) 1.80 0.00 2.05
 assign (resid 80 and name HN ) (resid 77 and name HA  ) 1.80 0.00 2.70
 assign (resid 81 and name HN ) (resid 81 and name HB1  ) 1.80 0.00 2.70
 assign (resid 81 and name HN ) (resid 81 and name HG#  ) 1.80 0.00 2.05
 assign (resid 82 and name HN ) (resid 82 and name HB2  ) 1.80 0.00 1.85
 assign (resid 82 and name HN ) (resid 81 and name HB#  ) 1.80 0.00 2.05
 assign (resid 82 and name HN ) (resid 82 and name HD#  ) 1.80 0.00 2.70
 assign (resid 82 and name HN ) (resid 82 and name HG1  ) 1.80 0.00 2.05
 assign (resid 82 and name HN ) (resid 82 and name HG2  ) 1.80 0.00 2.70
 assign (resid 82 and name HN ) (resid 81 and name HB1  ) 1.80 0.00 2.05
 assign (resid 83 and name HN ) (resid 83 and name HB1  ) 1.80 0.00 2.05
 assign (resid 83 and name HN ) (resid 83 and name HB2  ) 1.80 0.00 2.70
 assign (resid 84 and name HN ) (resid 83 and name HB1  ) 1.80 0.00 2.70
 assign (resid 84 and name HN ) (resid 83 and name HB2  ) 1.80 0.00 2.05
 assign (resid 84 and name HN ) (resid 84 and name HB1  ) 1.80 0.00 2.70
 assign (resid 84 and name HN ) (resid 84 and name HG2  ) 1.80 0.00 2.70
 assign (resid 84 and name HN ) (resid 84 and name HG1  ) 1.80 0.00 2.05
 assign (resid 85 and name HN ) (resid 85 and name HA1  ) 1.80 0.00 2.05
 assign (resid 85 and name HN ) (resid 85 and name HA2 ) 1.80 0.00 2.05
 assign (resid 86 and name HN ) (resid 85 and name HA1  ) 1.80 0.00 2.70
 assign (resid 87 and name HN ) (resid 81 and name HB1  ) 1.80 0.00 2.70
 assign (resid 87 and name HN ) (resid 86 and name HG  ) 1.80 0.00 2.70
 assign (resid 87 and name HN ) (resid 86 and name HA  ) 1.80 0.00 2.70
 assign (resid 87 and name HN ) (resid 82 and name HA  ) 1.80 0.00 3.70
 assign (resid 87 and name HN ) (resid 81 and name HG#  ) 1.80 0.00 2.70
 assign (resid 87 and name HN ) (resid 86 and name HB1  ) 1.80 0.00 2.70
 assign (resid 88 and name HN ) (resid 88 and name HB1  ) 1.80 0.00 2.05
 assign (resid 88 and name HN ) (resid 88 and name HB2  ) 1.80 0.00 2.05
 assign (resid 88 and name HN ) (resid 88 and name HG1  ) 1.80 0.00 2.05
!! From C13 NOESY
 assign (resid 3 and name HA ) (resid 64 and name HB1  ) 1.80 0.00 3.70
 assign (resid 3 and name HG# ) (resid 3 and name HA  ) 1.80 0.00 2.70
 assign (resid 3 and name HB2 ) (resid 64 and name HA  ) 1.80 0.00 2.70
 assign (resid 3 and name HG# ) (resid 64 and name HA  ) 1.80 0.00 2.70
 assign (resid 4 and name HB2 ) (resid 4 and name HE#  ) 1.80 0.00 2.70
 assign (resid 4 and name HB2 ) (resid 74 and name HD1#  ) 1.80 0.00 2.70
 assign (resid 5 and name HA ) (resid 62 and name HG2# ) 1.80 0.00 2.05
 assign (resid 5 and name HG2# ) (resid 62 and name HA  ) 1.80 0.00 2.70
 assign (resid 6 and name HB2 ) (resid 61 and name HG12  ) 1.80 0.00 2.70
 assign (resid 7 and name HA ) (resid 7 and name HB1  ) 1.80 0.00 2.05
 assign (resid 7 and name HA ) (resid 7 and name HB2  ) 1.80 0.00 2.05
 assign (resid 7 and name HA ) (resid 7 and name HG#  ) 1.80 0.00 2.70
 assign (resid 11 and name HA ) (resid 11 and name HB#  ) 1.80 0.00 2.05
 assign (resid 11 and name HA ) (resid 57 and name HB1  ) 1.80 0.00 2.70
 assign (resid 11 and name HA ) (resid 57 and name HB2  ) 1.80 0.00 2.70
 assign (resid 12 and name HA ) (resid 12 and name HB1  ) 1.80 0.00 2.05
 assign (resid 12 and name HA ) (resid 12 and name HB2  ) 1.80 0.00 2.05
 assign (resid 14 and name HA ) (resid 14 and name HB  ) 1.80 0.00 2.70
 assign (resid 14 and name HA ) (resid 18 and name HG1  ) 1.80 0.00 2.70
 assign (resid 14 and name HD1# ) (resid 55 and name HB  ) 1.80 0.00 2.70
 assign (resid 17 and name HA ) (resid 18 and name HD1  ) 1.80 0.00 2.70
 assign (resid 18 and name HB2 ) (resid 22 and name HD## ) 1.80 0.00 3.70
 assign (resid 18 and name HD1 ) (resid 17 and name HB1  ) 1.80 0.00 2.05
 assign (resid 18 and name HD2 ) (resid 17 and name HB1  ) 1.80 0.00 2.70
 assign (resid 18 and name HD1 ) (resid 17 and name HB2  ) 1.80 0.00 2.05
 assign (resid 18 and name HD2 ) (resid 17 and name HB2  ) 1.80 0.00 2.70
 assign (resid 19 and name HB# ) (resid 47 and name HA  ) 1.80 0.00 2.70
 assign (resid 21 and name HA ) (resid 21 and name HG1#  ) 1.80 0.00 2.70
 assign (resid 21 and name HG2# ) (resid 18 and name HA  ) 1.80 0.00 2.70
 assign (resid 22 and name HB1 ) (resid 44 and name HD2#  ) 1.80 0.00 2.70
 assign (resid 22 and name HD## ) (resid 81 and name HG#  ) 1.80 0.00 2.70
 assign (resid 26 and name HB# ) (resid 77 and name HD1#  ) 1.80 0.00 2.05
 assign (resid 26 and name HB# ) (resid 77 and name HD2#  ) 1.80 0.00 2.70
 assign (resid 30 and name HB# ) (resid 68 and name HB#  ) 1.80 0.00 2.70
 assign (resid 33 and name HA ) (resid 33 and name HG#  ) 1.80 0.00 2.70
 assign (resid 33 and name HA ) (resid 33 and name HB  ) 1.80 0.00 2.70
 assign (resid 34 and name HA ) (resid 34 and name HB2  ) 1.80 0.00 2.70
 assign (resid 34 and name HA ) (resid 34 and name HB1  ) 1.80 0.00 2.70
 assign (resid 35 and name HA ) (resid 63 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 35 and name HA ) (resid 63 and name HG12  ) 1.80 0.00 2.70
 assign (resid 36 and name HA ) (resid 36 and name HB2  ) 1.80 0.00 2.05
 assign (resid 36 and name HA ) (resid 36 and name HB1  ) 1.80 0.00 2.70
 assign (resid 42 and name HA ) (resid 42 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 42 and name HG1# ) (resid 50 and name HA  ) 1.80 0.00 3.70
 assign (resid 44 and name HA ) (resid 44 and name HB2 ) 1.80 0.00 3.70
 assign (resid 44 and name HA ) (resid 44 and name HB1  ) 1.80 0.00 2.05
 assign (resid 44 and name HD# ) (resid 22 and name HD##  ) 1.80 0.00 2.05
 assign (resid 46 and name HB1 ) (resid 42 and name HG1#  ) 1.80 0.00 2.70
 assign (resid 46 and name HB1 ) (resid 42 and name HG2#  ) 1.80 0.00 3.70
 assign (resid 47 and name HA ) (resid 47 and name HD1# ) 1.80 0.00 2.70
 assign (resid 47 and name HG2# ) (resid 47 and name HG11  ) 1.80 0.00 2.05
 assign (resid 48 and name HA ) (resid 48 and name HB1  ) 1.80 0.00 2.05
 assign (resid 48 and name HA ) (resid 48 and name HB2  ) 1.80 0.00 2.05
 assign (resid 50 and name HA ) (resid 50 and name HB  ) 1.80 0.00 2.05
 assign (resid 50 and name HA ) (resid 50 and name HG1# ) 1.80 0.00 2.05
 assign (resid 50 and name HA ) (resid 50 and name HG2# ) 1.80 0.00 2.05
 assign (resid 50 and name HB ) (resid 47 and name HA  ) 1.80 0.00 2.70
 assign (resid 50 and name HB ) (resid 19 and name HB# ) 1.80 0.00 2.70
 assign (resid 50 and name HG2#) (resid 46 and name HB1  ) 1.80 0.00 2.70
 assign (resid 50 and name HG1#) (resid 55 and name HD1#  ) 1.80 0.00 2.05
 assign (resid 51 and name HB ) (resid 48 and name HA  ) 1.80 0.00 2.05
 assign (resid 51 and name HG# ) (resid 51 and name HA  ) 1.80 0.00 2.05
 assign (resid 53 and name HA ) (resid 53 and name HB2  ) 1.80 0.00 2.05
 assign (resid 55 and name HA ) (resid 56 and name HB# ) 1.80 0.00 2.70
 assign (resid 55 and name HB ) (resid 55 and name HG12  ) 1.80 0.00 2.70
 assign (resid 55 and name HG2# ) (resid 8 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 55 and name HG2# ) (resid 61 and name HG2#  ) 1.80 0.00 2.70
 assign (resid 55 and name HD1# ) (resid 53 and name HB2  ) 1.80 0.00 2.70
 assign (resid 55 and name HD1# ) (resid 53 and name HB1  ) 1.80 0.00 3.70
 assign (resid 55 and name HD1# ) (resid 14 and name HG2# ) 1.80 0.00 2.05
 assign (resid 57 and name HA ) (resid 57 and name HG1  ) 1.80 0.00 2.70
 assign (resid 57 and name HA ) (resid 57 and name HG2  ) 1.80 0.00 2.05
 assign (resid 59 and name HB# ) (resid 8 and name HG2#  ) 1.80 0.00 2.55
 assign (resid 61 and name HB ) (resid 61 and name HD1# ) 1.80 0.00 2.05
 assign (resid 61 and name HD1# ) (resid 8 and name HG1# ) 1.80 0.00 3.70
 assign (resid 61 and name HD1# ) (resid 8 and name HG2# ) 1.80 0.00 2.70
 assign (resid 62 and name HB ) (resid 36 and name HB1  ) 1.80 0.00 2.70
 assign (resid 65 and name HB# ) (resid 70 and name HB2  ) 1.80 0.00 2.50
 assign (resid 68 and name HB#) (resid 30 and name HB2  ) 1.80 0.00 2.70
 assign (resid 70 and name HA ) (resid 70 and name HB1  ) 1.80 0.00 2.05
 assign (resid 70 and name HB1 ) (resid 70 and name HG2  ) 1.80 0.00 2.70
 assign (resid 71 and name HA ) (resid 2 and name HA  ) 1.80 0.00 2.70
 assign (resid 72 and name HB1 ) (resid 72 and name HA  ) 1.80 0.00 2.05
 assign (resid 73 and name HB# ) (resid 31 and name HB# ) 1.80 0.00 2.70
 assign (resid 74 and name HA ) (resid 74 and name HD2#  ) 1.80 0.00 3.70
 assign (resid 75 and name HA ) (resid 78 and name HB2  ) 1.80 0.00 2.70
 assign (resid 77 and name HG ) (resid 25 and name HG2# ) 1.80 0.00 2.05
 assign (resid 77 and name HD1# ) (resid 77 and name HA  ) 1.80 0.00 2.70
 assign (resid 77 and name HD1# ) (resid 74 and name HA  ) 1.80 0.00 2.70
 assign (resid 77 and name HD2# ) (resid 77 and name HA  ) 1.80 0.00 2.05
 assign (resid 77 and name HD2# ) (resid 77 and name HB1  ) 1.80 0.00 2.05
 assign (resid 80 and name HG2# ) (resid 22 and name HD## ) 1.80 0.00 4.70
 assign (resid 81 and name HB1 ) (resid 81 and name HG1  ) 1.80 0.00 2.05
 assign (resid 82 and name HA ) (resid 82 and name HG1  ) 1.80 0.00 2.70
 assign (resid 84 and name HB1 ) (resid 84 and name HA  ) 1.80 0.00 2.70
 assign (resid 86 and name HG ) (resid 86 and name HB1  ) 1.80 0.00 2.05
 assign (resid 86 and name HG ) (resid 86 and name HB2  ) 1.80 0.00 2.05
 assign (resid 86 and name HG ) (resid 84 and name HB2  ) 1.80 0.00 2.05
 assign (resid 86 and name HD1# ) (resid 86 and name HA  ) 1.80 0.00 2.70
set message=on echo=on end
 set message=off echo=off end
!! HBOND constraints,,,,
 assign (resid   4 and name HN  ) (resid 63 and name O    ) 2.3 0.8 0.2
 assign (resid   4 and name N   ) (resid 63 and name O    ) 3.3 0.8 0.2
 assign (resid   4 and name O   ) (resid 63 and name HN   ) 2.3 0.8 0.2
 assign (resid   4 and name O   ) (resid 63 and name N    ) 3.3 0.8 0.2
 assign (resid   6 and name HN  ) (resid 61 and name O    ) 2.3 0.8 0.2
 assign (resid   6 and name N   ) (resid 61 and name O    ) 3.3 0.8 0.2
 assign (resid   6 and name O   ) (resid 61 and name HN   ) 2.3 0.8 0.2
 assign (resid   6 and name O   ) (resid 61 and name N    ) 3.3 0.8 0.2
 assign (resid   7 and name O   ) (resid 88 and name HN   ) 2.3 0.8 0.2
 assign (resid   7 and name O   ) (resid 88 and name N    ) 3.3 0.8 0.2
 assign (resid   8 and name HN  ) (resid 59 and name O    ) 2.3 0.8 0.2
 assign (resid   8 and name N   ) (resid 59 and name O    ) 3.3 0.8 0.2
 assign (resid   8 and name O   ) (resid 59 and name HN   ) 2.3 0.8 0.2
 assign (resid   8 and name O   ) (resid 59 and name N    ) 3.3 0.8 0.2
 assign (resid  15 and name O   ) (resid 19 and name HN   ) 2.3 0.8 0.2
 assign (resid  15 and name O   ) (resid 19 and name N    ) 3.3 0.8 0.2
 assign (resid  16 and name O   ) (resid 20 and name HN   ) 2.3 0.8 0.2
 assign (resid  16 and name O   ) (resid 20 and name N    ) 3.3 0.8 0.2
 assign (resid  17 and name O   ) (resid 21 and name HN   ) 2.3 0.8 0.2
 assign (resid  17 and name O   ) (resid 21 and name N    ) 3.3 0.8 0.2
 assign (resid  18 and name O   ) (resid 22 and name HN   ) 2.3 0.8 0.2
 assign (resid  18 and name O   ) (resid 22 and name N    ) 3.3 0.8 0.2
 assign (resid  19 and name O   ) (resid 23 and name HN   ) 2.3 0.8 0.2
 assign (resid  19 and name O   ) (resid 23 and name N    ) 3.3 0.8 0.2
 assign (resid  20 and name O   ) (resid 24 and name HN   ) 2.3 0.8 0.2
 assign (resid  20 and name O   ) (resid 24 and name N    ) 3.3 0.8 0.2
 assign (resid  21 and name O   ) (resid 25 and name HN   ) 2.3 0.8 0.2
 assign (resid  21 and name O   ) (resid 25 and name N    ) 3.3 0.8 0.2
 assign (resid  22 and name O   ) (resid 26 and name HN   ) 2.3 0.8 0.2
 assign (resid  22 and name O   ) (resid 26 and name N    ) 3.3 0.8 0.2
 assign (resid  23 and name O   ) (resid 27 and name HN   ) 2.3 0.8 0.2
 assign (resid  23 and name O   ) (resid 27 and name N    ) 3.3 0.8 0.2
 assign (resid  32 and name HN  ) (resid 66 and name O    ) 2.3 0.8 0.2
 assign (resid  32 and name N   ) (resid 66 and name O    ) 3.3 0.8 0.2
 assign (resid  32 and name O   ) (resid 66 and name HN   ) 2.3 0.8 0.2
 assign (resid  32 and name O   ) (resid 66 and name N    ) 3.3 0.8 0.2
 assign (resid  33 and name O   ) (resid 44 and name HN   ) 2.3 0.8 0.2
 assign (resid  33 and name O   ) (resid 44 and name N    ) 3.3 0.8 0.2
 assign (resid  34 and name HN  ) (resid 64 and name O    ) 2.3 0.8 0.2
 assign (resid  34 and name N   ) (resid 64 and name O    ) 3.3 0.8 0.2
 assign (resid  34 and name O   ) (resid 64 and name HN   ) 2.3 0.8 0.2
 assign (resid  34 and name O   ) (resid 64 and name N    ) 3.3 0.8 0.2
 assign (resid  35 and name HN  ) (resid 42 and name O    ) 2.3 0.8 0.2
 assign (resid  35 and name N   ) (resid 42 and name O    ) 3.3 0.8 0.2
 assign (resid  35 and name O   ) (resid 42 and name HN   ) 2.3 0.8 0.2
 assign (resid  35 and name O   ) (resid 42 and name N    ) 3.3 0.8 0.2
 assign (resid  36 and name HN  ) (resid 62 and name O    ) 1.8 0.0 0.5
 assign (resid  36 and name N   ) (resid 62 and name O    ) 1.8 0.0 1.5
 assign (resid  36 and name O   ) (resid 62 and name HN   ) 2.3 0.8 0.2
 assign (resid  36 and name O   ) (resid 62 and name N    ) 3.3 0.8 0.2
 assign (resid  37 and name HN  ) (resid 40 and name O    ) 2.3 0.8 0.2
 assign (resid  37 and name N   ) (resid 40 and name O    ) 3.3 0.8 0.2
 assign (resid  37 and name O   ) (resid 40 and name HN   ) 2.3 0.8 0.2
 assign (resid  37 and name O   ) (resid 40 and name N    ) 3.3 0.8 0.2
 assign (resid  69 and name O   ) (resid 73 and name HN   ) 2.3 0.8 0.2
 assign (resid  69 and name O   ) (resid 73 and name N    ) 3.3 0.8 0.2
 assign (resid  70 and name O   ) (resid 74 and name HN   ) 2.3 0.8 0.2
 assign (resid  70 and name O   ) (resid 74 and name N    ) 3.3 0.8 0.2
 assign (resid  71 and name O   ) (resid 75 and name HN   ) 2.3 0.8 0.2
 assign (resid  71 and name O   ) (resid 75 and name N    ) 3.3 0.8 0.2
 assign (resid  72 and name O   ) (resid 76 and name HN   ) 2.3 0.8 0.2
 assign (resid  72 and name O   ) (resid 76 and name N    ) 3.3 0.8 0.2
 assign (resid  73 and name O   ) (resid 77 and name HN   ) 2.3 0.8 0.2
 assign (resid  73 and name O   ) (resid 77 and name N    ) 3.3 0.8 0.2
 assign (resid  74 and name O   ) (resid 78 and name HN   ) 2.3 0.8 0.2
 assign (resid  74 and name O   ) (resid 78 and name N    ) 3.3 0.8 0.2
 assign (resid  75 and name O   ) (resid 79 and name HN   ) 2.3 0.8 0.2
 assign (resid  75 and name O   ) (resid 79 and name N    ) 3.3 0.8 0.2
 assign (resid  76 and name O   ) (resid 80 and name HN   ) 2.3 0.8 0.2
 assign (resid  76 and name O   ) (resid 80 and name N    ) 3.3 0.8 0.2
 assign (resid  77 and name O   ) (resid 81 and name HN   ) 2.3 0.8 0.2
 assign (resid  77 and name O   ) (resid 81 and name N    ) 3.3 0.8 0.2
 assign (resid  78 and name O   ) (resid 82 and name HN   ) 2.3 0.8 0.2
 assign (resid  78 and name O   ) (resid 82 and name N    ) 3.3 0.8 0.2

set message=on echo=on end
set message=off echo=off end
restraints dihedral reset
 !! GLN   3  CHI1 
 assign (resid   3 and name N  ) (resid  3 and name CA )
    (resid   3 and name CB ) (resid  3 and name CG ) 1.0    60.0   30.0  2
 !! LYS   4  PHI  
 assign (resid   3 and name C  ) (resid  4 and name N  )
    (resid   4 and name CA ) (resid  4 and name C  ) 1.0  -157.5   30.0  2
 !! THR   5  PHI  
 assign (resid   4 and name C  ) (resid  5 and name N  )
    (resid   5 and name CA ) (resid  5 and name C  ) 1.0  -120.0   30.0  2
 !! THR   5  CHI1 
 assign (resid   5 and name N  ) (resid  5 and name CA )
    (resid   5 and name CB ) (resid  5 and name OG1) 1.0   -60.0   30.0  2
 !! PHE   6  PHI  
 assign (resid   5 and name C  ) (resid  6 and name N  )
    (resid   6 and name CA ) (resid  6 and name C  ) 1.0  -120.0   30.0  2
 !! PHE   6  CHI1 
 assign (resid   6 and name N  ) (resid  6 and name CA )
    (resid   6 and name CB ) (resid  6 and name CG ) 1.0   -60.0   30.0  2
 !! LYS   7  PHI  
 assign (resid   6 and name C  ) (resid  7 and name N  )
    (resid   7 and name CA ) (resid  7 and name C  ) 1.0  -120.0   30.0  2
 !! VAL   8  PHI  
 assign (resid   7 and name C  ) (resid  8 and name N  )
    (resid   8 and name CA ) (resid  8 and name C  ) 1.0   -60.0   30.0  2
 !! THR   9  PHI  
 assign (resid   8 and name C  ) (resid  9 and name N  )
    (resid   9 and name CA ) (resid  9 and name C  ) 1.0  -120.0   30.0  2
 !! THR   9  CHI1 
 assign (resid   9 and name N  ) (resid  9 and name CA )
    (resid   9 and name CB ) (resid  9 and name OG1) 1.0   -60.0   30.0  2
 !! ALA  10  PHI  
 assign (resid   9 and name C  ) (resid 10 and name N  )
    (resid  10 and name CA ) (resid 10 and name C  ) 1.0   -47.5   30.0  2
 !! ASP  11  PHI  
 assign (resid  10 and name C  ) (resid 11 and name N  )
    (resid  11 and name CA ) (resid 11 and name C  ) 1.0   -40.0   30.0  2
 !! SER  12  PHI  
 assign (resid  11 and name C  ) (resid 12 and name N  )
    (resid  12 and name CA ) (resid 12 and name C  ) 1.0   180.0  145.0  2
 !! SER  12  CHI1 
 assign (resid  12 and name N  ) (resid 12 and name CA )
    (resid  12 and name CB ) (resid 12 and name OG ) 1.0    60.0   30.0  2
 !! ILE  14  PHI  
 assign (resid  13 and name C  ) (resid 14 and name N  )
    (resid  14 and name CA ) (resid 14 and name C  ) 1.0  -120.0   30.0  2
 !! ILE  14  CHI1 
 assign (resid  14 and name N  ) (resid 14 and name CA )
    (resid  14 and name CB ) (resid 14 and name CG1) 1.0   -60.0   30.0  2
 !! HIS  15  PHI  
 assign (resid  14 and name C  ) (resid 15 and name N  )
    (resid  15 and name CA ) (resid 15 and name C  ) 1.0  -115.0   30.0  2
 !! HIS  15  CHI1 
 assign (resid  15 and name N  ) (resid 15 and name CA )
    (resid  15 and name CB ) (resid 15 and name CG ) 1.0    60.0   40.0  2
 !! ALA  16  PHI  
 assign (resid  15 and name C  ) (resid 16 and name N  )
    (resid  16 and name CA ) (resid 16 and name C  ) 1.0   -60.0   30.0  2
 !! ALA  19  PHI  
 assign (resid  18 and name C  ) (resid 19 and name N  )
    (resid  19 and name CA ) (resid 19 and name C  ) 1.0   -53.0   30.0  2
 !! THR  20  PHI  
 assign (resid  19 and name C  ) (resid 20 and name N  )
    (resid  20 and name CA ) (resid 20 and name C  ) 1.0   -60.0   30.0  2
 !! THR  20  CHI1 
 assign (resid  20 and name N  ) (resid 20 and name CA )
    (resid  20 and name CB ) (resid 20 and name OG1) 1.0   -60.0   30.0  2
 !! VAL  21  PHI  
 assign (resid  20 and name C  ) (resid 21 and name N  )
    (resid  21 and name CA ) (resid 21 and name C  ) 1.0   -72.5   30.0  2
 !! LEU  22  PHI  
 assign (resid  21 and name C  ) (resid 22 and name N  )
    (resid  22 and name CA ) (resid 22 and name C  ) 1.0   -60.0   30.0  2
 !! LEU  22  CHI1 
 assign (resid  22 and name N  ) (resid 22 and name CA )
    (resid  22 and name CB ) (resid 22 and name CG ) 1.0   -60.0   30.0  2
 !! VAL  23  PHI  
 assign (resid  22 and name C  ) (resid 23 and name N  )
    (resid  23 and name CA ) (resid 23 and name C  ) 1.0   -66.0   30.0  2
 !! GLN  24  PHI  
 assign (resid  23 and name C  ) (resid 24 and name N  )
    (resid  24 and name CA ) (resid 24 and name C  ) 1.0   -55.0   30.0  2
 !! GLN  24  CHI1 
 assign (resid  24 and name N  ) (resid 24 and name CA )
    (resid  24 and name CB ) (resid 24 and name CG ) 1.0   -60.0   30.0  2
 !! THR  25  PHI  
 assign (resid  24 and name C  ) (resid 25 and name N  )
    (resid  25 and name CA ) (resid 25 and name C  ) 1.0   -72.5   30.0  2
 !! THR  25  CHI1 
 assign (resid  25 and name N  ) (resid 25 and name CA )
    (resid  25 and name CB ) (resid 25 and name OG1) 1.0   -60.0   30.0  2
 !! ALA  26  PHI  
 assign (resid  25 and name C  ) (resid 26 and name N  )
    (resid  26 and name CA ) (resid 26 and name C  ) 1.0   -43.5   30.0  2
 !! SER  27  PHI  
 assign (resid  26 and name C  ) (resid 27 and name N  )
    (resid  27 and name CA ) (resid 27 and name C  ) 1.0   -54.0   30.0  2
 !! SER  27  CHI1 
!! assign (resid  27 and name N  ) (resid 27 and name CA )
!!    (resid  27 and name CB ) (resid 27 and name OG ) 1.0   180.0   90.0  2
 !! LYS  28  PHI  
 assign (resid  27 and name C  ) (resid 28 and name N  )
    (resid  28 and name CA ) (resid 28 and name C  ) 1.0   -80.0   30.0  2
 !! LYS  28  CHI1 
 assign (resid  28 and name N  ) (resid 28 and name CA )
    (resid  28 and name CB ) (resid 28 and name CG ) 1.0   -60.0   30.0  2
 !! TYR  29  PHI  
 assign (resid  28 and name C  ) (resid 29 and name N  )
    (resid  29 and name CA ) (resid 29 and name C  ) 1.0  -120.0   30.0  2
 !! TYR  29  CHI1 
 assign (resid  29 and name N  ) (resid 29 and name CA )
    (resid  29 and name CB ) (resid 29 and name CG ) 1.0   -60.0   30.0  2
 !! ASP  30  PHI  
 assign (resid  29 and name C  ) (resid 30 and name N  )
    (resid  30 and name CA ) (resid 30 and name C  ) 1.0   -85.0   30.0  2
 !! ASP  30  CHI1 
 assign (resid  30 and name N  ) (resid 30 and name CA )
    (resid  30 and name CB ) (resid 30 and name CG ) 1.0   -60.0   30.0  2
 !! ALA  31  PHI  
 assign (resid  30 and name C  ) (resid 31 and name N  )
    (resid  31 and name CA ) (resid 31 and name C  ) 1.0   -38.5   30.0  2
 !! ASP  32  PHI  
 assign (resid  31 and name C  ) (resid 32 and name N  )
    (resid  32 and name CA ) (resid 32 and name C  ) 1.0  -135.0   45.0  2
 !! ASP  32  CHI1 
 assign (resid  32 and name N  ) (resid 32 and name CA )
    (resid  32 and name CB ) (resid 32 and name CG ) 1.0   -60.0   30.0  2
 !! VAL  33  PHI  
 assign (resid  32 and name C  ) (resid 33 and name N  )
    (resid  33 and name CA ) (resid 33 and name C  ) 1.0  -120.0   30.0  2
 !! VAL  33  CHI1 
!! assign (resid  33 and name N  ) (resid 33 and name CA )
!!    (resid  33 and name CB ) (resid 33 and name CG1 ) 1.0   120.0   90.0  2
 !! ASN  34  PHI  
 assign (resid  33 and name C  ) (resid 34 and name N  )
    (resid  34 and name CA ) (resid 34 and name C  ) 1.0  -120.0   30.0  2
 !! ASN  34  CHI1 
 assign (resid  34 and name N  ) (resid 34 and name CA )
    (resid  34 and name CB ) (resid 34 and name CG ) 1.0   -60.0   30.0  2
 !! LEU  35  PHI  
 assign (resid  34 and name C  ) (resid 35 and name N  )
    (resid  35 and name CA ) (resid 35 and name C  ) 1.0  -120.0   30.0  2
 !! LEU  35  CHI1 
 assign (resid  35 and name N  ) (resid 35 and name CA )
    (resid  35 and name CB ) (resid 35 and name CG ) 1.0   180.0   30.0  2
 !! GLU  36  PHI  
 assign (resid  35 and name C  ) (resid 36 and name N  )
    (resid  36 and name CA ) (resid 36 and name C  ) 1.0  -120.0   30.0  2
 !! GLU  36  CHI1 
 assign (resid  36 and name N  ) (resid 36 and name CA )
    (resid  36 and name CB ) (resid 36 and name CG ) 1.0   180.0   30.0  2
 !! TYR  37  PHI 
 assign (resid  36 and name C  ) (resid 37 and name N  )
    (resid  37 and name CA ) (resid 37 and name C  ) 1.0  -120.0   40.0  2
 !! TYR  37  CHI1 
 assign (resid  37 and name N  ) (resid 37 and name CA )
    (resid  37 and name CB ) (resid 37 and name CG ) 1.0   180.0   30.0  2
 !! ASN  38  PHI  
 assign (resid  37 and name C  ) (resid 38 and name N  )
    (resid  38 and name CA ) (resid 38 and name C  ) 1.0    60.0   30.0  2
 !! LYS  40  PHI  
 assign (resid  39 and name C  ) (resid 40 and name N  )
    (resid  40 and name CA ) (resid 40 and name C  ) 1.0  -120.0   30.0  2
 !! LYS  40  CHI1 
 assign (resid  40 and name N  ) (resid 40 and name CA )
    (resid  40 and name CB ) (resid 40 and name CG ) 1.0   -60.0   30.0  2
 !! THR  41  PHI  
 assign (resid  40 and name C  ) (resid 41 and name N  )
    (resid  41 and name CA ) (resid 41 and name C  ) 1.0  -120.0   30.0  2
 !! THR  41  CHI1 
 assign (resid  41 and name N  ) (resid 41 and name CA )
    (resid  41 and name CB ) (resid 41 and name OG1) 1.0   -60.0   30.0  2
 !! VAL  42  PHI  
 assign (resid  41 and name C  ) (resid 42 and name N  )
    (resid  42 and name CA ) (resid 42 and name C  ) 1.0  -120.0   30.0  2
 !! VAL  42  CHI1 
!! assign (resid  42 and name N  ) (resid 42 and name CA )
!!    (resid  42 and name CB ) (resid 42 and name CG1 ) 1.0   -60.0   30.0  2
 !! ASN  43  PHI  
 assign (resid  42 and name C  ) (resid 43 and name N  )
    (resid  43 and name CA ) (resid 43 and name C  ) 1.0   -85.0   50.0  2
 !! ASN  43  CHI1 
 assign (resid  43 and name N  ) (resid 43 and name CA )
    (resid  43 and name CB ) (resid 43 and name CG ) 1.0   180.0   30.0  2
 !! LEU  44  PHI  
 assign (resid  43 and name C  ) (resid 44 and name N  )
    (resid  44 and name CA ) (resid 44 and name C  ) 1.0   -77.5   30.0  2
 !! LEU  44  CHI1 
 assign (resid  44 and name N  ) (resid 44 and name CA )
    (resid  44 and name CB ) (resid 44 and name CG ) 1.0   180.0   30.0  2
 !! LYS  45  PHI  
 assign (resid  44 and name C  ) (resid 45 and name N  )
    (resid  45 and name CA ) (resid 45 and name C  ) 1.0  -120.0   35.0  2
 !! LYS  45  CHI1 
 assign (resid  45 and name N  ) (resid 45 and name CA )
    (resid  45 and name CB ) (resid 45 and name CG ) 1.0   -60.0   30.0  2
 !! SER  46  PHI  
 assign (resid  45 and name C  ) (resid 46 and name N  )
    (resid  46 and name CA ) (resid 46 and name C  ) 1.0  -120.0   30.0  2
 !! SER  46  CHI1 
 assign (resid  46 and name N  ) (resid 46 and name CA )
    (resid  46 and name CB ) (resid 46 and name OG ) 1.0   180.0   30.0  2
 !! ILE  47  PHI  
 assign (resid  46 and name C  ) (resid 47 and name N  )
    (resid  47 and name CA ) (resid 47 and name C  ) 1.0   -97.5   77.5  2
 !! ILE  47  CHI1 
 assign (resid  47 and name N  ) (resid 47 and name CA )
    (resid  47 and name CB ) (resid 47 and name CG1) 1.0   -60.0   90.0  2
 !! MET  48  PHI  
 assign (resid  47 and name C  ) (resid 48 and name N  )
    (resid  48 and name CA ) (resid 48 and name C  ) 1.0   -65.0   30.0  2
 !! MET  48  CHI1 
 assign (resid  48 and name N  ) (resid 48 and name CA )
    (resid  48 and name CB ) (resid 48 and name CG ) 1.0   180.0   30.0  2
 !! VAL  50  PHI  
 assign (resid  49 and name C  ) (resid 50 and name N  )
    (resid  50 and name CA ) (resid 50 and name C  ) 1.0   -72.5   30.0  2
 !! VAL  50  CHI1 
!! assign (resid  50 and name N  ) (resid 50 and name CA )
!!    (resid  50 and name CB ) (resid 50 and name CG1 ) 1.0   180.0   30.0  2
 !! VAL  51  PHI  
 assign (resid  50 and name C  ) (resid 51 and name N  )
    (resid  51 and name CA ) (resid 51 and name C  ) 1.0   -60.0   30.0  2
 !! VAL  51  CHI1 
!! assign (resid  51 and name N  ) (resid 51 and name CA )
!!    (resid  51 and name CB ) (resid 51 and name CG1 ) 1.0   60.0   30.0  2
 !! SER  52  PHI  
 assign (resid  51 and name C  ) (resid 52 and name N  )
    (resid  52 and name CA ) (resid 52 and name C  ) 1.0   -52.5   30.0  2
 !! SER  52  CHI1 
 assign (resid  52 and name N  ) (resid 52 and name CA )
    (resid  52 and name CB ) (resid 52 and name OG ) 1.0    60.0   30.0  2
 !! LEU  53  PHI  
 assign (resid  52 and name C  ) (resid 53 and name N  )
    (resid  53 and name CA ) (resid 53 and name C  ) 1.0   -75.0   30.0  2
 !! LEU  53  CHI1 
 assign (resid  53 and name N  ) (resid 53 and name CA )
    (resid  53 and name CB ) (resid 53 and name CG ) 1.0   -60.0   30.0  2
 !! ILE  55  PHI  
 assign (resid  54 and name C  ) (resid 55 and name N  )
    (resid  55 and name CA ) (resid 55 and name C  ) 1.0   -72.5   30.0  2
 !! ILE  55  CHI1 
 assign (resid  55 and name N  ) (resid 55 and name CA )
    (resid  55 and name CB ) (resid 55 and name CG1) 1.0   -60.0   30.0  2
 !! ILE  55  CHI21
 assign (resid  55 and name CA ) (resid 55 and name CB )
    (resid  55 and name CG1) (resid 55 and name CD1) 1.0   180.0   30.0  2
 !! ALA  56  PHI  
 assign (resid  55 and name C  ) (resid 56 and name N  )
    (resid  56 and name CA ) (resid 56 and name C  ) 1.0  -119.0   34.0  2
 !! LYS  57  PHI  
 assign (resid  56 and name C  ) (resid 57 and name N  )
    (resid  57 and name CA ) (resid 57 and name C  ) 1.0   -55.0   30.0  2
 !! GLU  60  PHI  
 assign (resid  59 and name C  ) (resid 60 and name N  )
    (resid  60 and name CA ) (resid 60 and name C  ) 1.0  -120.0   35.0  2
 !! GLU  60  CHI1 
 assign (resid  60 and name N  ) (resid 60 and name CA )
    (resid  60 and name CB ) (resid 60 and name CG ) 1.0   -60.0   30.0  2
 !! ILE  61  PHI  
 assign (resid  60 and name C  ) (resid 61 and name N  )
    (resid  61 and name CA ) (resid 61 and name C  ) 1.0  -120.0   30.0  2
 !! ILE  61  CHI1 
 assign (resid  61 and name N  ) (resid 61 and name CA )
    (resid  61 and name CB ) (resid 61 and name CG1) 1.0    60.0   30.0  2
 !! THR  62  PHI  
 assign (resid  61 and name C  ) (resid 62 and name N  )
    (resid  62 and name CA ) (resid 62 and name C  ) 1.0  -120.0   30.0  2
 !! THR  62  CHI1 
 assign (resid  62 and name N  ) (resid 62 and name CA )
    (resid  62 and name CB ) (resid 62 and name OG1 ) 1.0   -60.0   30.0  2
 !! ILE  63  PHI  
 assign (resid  62 and name C  ) (resid 63 and name N  )
    (resid  63 and name CA ) (resid 63 and name C  ) 1.0  -122.5   30.0  2
 !! ILE  63  CHI1 
 assign (resid  63 and name N  ) (resid 63 and name CA )
    (resid  63 and name CB ) (resid 63 and name CG1) 1.0   -60.0   30.0  2
 !! SER  64  PHI  
 assign (resid  63 and name C  ) (resid 64 and name N  )
    (resid  64 and name CA ) (resid 64 and name C  ) 1.0  -120.0   30.0  2
 !! SER  64  CHI1 
 assign (resid  64 and name N  ) (resid 64 and name CA )
    (resid  64 and name CB ) (resid 64 and name OG ) 1.0    60.0   30.0  2
 !! ALA  65  PHI  
 assign (resid  64 and name C  ) (resid 65 and name N  )
    (resid  65 and name CA ) (resid 65 and name C  ) 1.0  -120.0   30.0  2
 !! SER  66  PHI  
 assign (resid  65 and name C  ) (resid 66 and name N  )
    (resid  66 and name CA ) (resid 66 and name C  ) 1.0  -120.0   30.0  2
 !! SER  66  CHI1 
 assign (resid  66 and name N  ) (resid 66 and name CA )
    (resid  66 and name CB ) (resid 66 and name OG ) 1.0   -62.5   57.5  2
 !! ASP  69  PHI  
 assign (resid  68 and name C  ) (resid 69 and name N  )
    (resid  69 and name CA ) (resid 69 and name C  ) 1.0  -120.0   30.0  2
 !! ASP  69  CHI1 
 assign (resid  69 and name N  ) (resid 69 and name CA )
    (resid  69 and name CB ) (resid 69 and name CG ) 1.0    60.0   30.0  2
 !! GLU  70  PHI  
 assign (resid  69 and name C  ) (resid 70 and name N  )
    (resid  70 and name CA ) (resid 70 and name C  ) 1.0   -38.5   30.0  2
 !! GLU  70  CHI1 
 assign (resid  70 and name N  ) (resid 70 and name CA )
    (resid  70 and name CB ) (resid 70 and name CG ) 1.0    60.0   30.0  2
 !! ASN  71  PHI  
 assign (resid  70 and name C  ) (resid 71 and name N  )
    (resid  71 and name CA ) (resid 71 and name C  ) 1.0   -75.0   30.0  2
 !! ASN  71  CHI1 
 assign (resid  71 and name N  ) (resid 71 and name CA )
    (resid  71 and name CB ) (resid 71 and name CG ) 1.0   -60.0   30.0  2
 !! ASP  72  PHI  
 assign (resid  71 and name C  ) (resid 72 and name N  )
    (resid  72 and name CA ) (resid 72 and name C  ) 1.0   -65.0   30.0  2
 !! ASP  72  CHI1 
 assign (resid  72 and name N  ) (resid 72 and name CA )
    (resid  72 and name CB ) (resid 72 and name CG ) 1.0   -60.0   30.0  2
 !! ALA  73  PHI  
 assign (resid  72 and name C  ) (resid 73 and name N  )
    (resid  73 and name CA ) (resid 73 and name C  ) 1.0   -50.5   30.0  2
 !! LEU  74  PHI  
 assign (resid  73 and name C  ) (resid 74 and name N  )
    (resid  74 and name CA ) (resid 74 and name C  ) 1.0   -65.0   30.0  2
 !! LEU  74  CHI1 
 assign (resid  74 and name N  ) (resid 74 and name CA )
    (resid  74 and name CB ) (resid 74 and name CG ) 1.0    60.0   30.0  2
 !! ASN  75  PHI  
 assign (resid  74 and name C  ) (resid 75 and name N  )
    (resid  75 and name CA ) (resid 75 and name C  ) 1.0   -55.0   30.0  2
 !! ASN  75  CHI1 
 assign (resid  75 and name N  ) (resid 75 and name CA )
    (resid  75 and name CB ) (resid 75 and name CG ) 1.0    60.0   30.0  2
 !! ALA  76  PHI  
 assign (resid  75 and name C  ) (resid 76 and name N  )
    (resid  76 and name CA ) (resid 76 and name C  ) 1.0   -65.5   30.0  2
 !! LEU  77  PHI  
 assign (resid  76 and name C  ) (resid 77 and name N  )
    (resid  77 and name CA ) (resid 77 and name C  ) 1.0   -55.0   30.0  2
 !! LEU  77  CHI1 
 assign (resid  77 and name N  ) (resid 77 and name CA )
    (resid  77 and name CB ) (resid 77 and name CG ) 1.0   -60.0   30.0  2
 !! GLU  78  PHI  
 assign (resid  77 and name C  ) (resid 78 and name N  )
    (resid  78 and name CA ) (resid 78 and name C  ) 1.0   -55.0   30.0  2
 !! GLU  78  CHI1 
 assign (resid  78 and name N  ) (resid 78 and name CA )
    (resid  78 and name CB ) (resid 78 and name CG ) 1.0   180.0   30.0  2
 !! GLU  79  PHI  
 assign (resid  78 and name C  ) (resid 79 and name N  )
    (resid  79 and name CA ) (resid 79 and name C  ) 1.0   -55.0   30.0  2
 !! GLU  79  CHI1 
 assign (resid  79 and name N  ) (resid 79 and name CA )
    (resid  79 and name CB ) (resid 79 and name CG ) 1.0    60.0   30.0  2
 !! THR  80  PHI  
 assign (resid  79 and name C  ) (resid 80 and name N  )
    (resid  80 and name CA ) (resid 80 and name C  ) 1.0   -75.0   50.0  2
 !! THR  80  CHI1 
 assign (resid  80 and name N  ) (resid 80 and name CA )
    (resid  80 and name CB ) (resid 80 and name OG1) 1.0   -60.0   30.0  2
 !! MET  81  PHI  
 assign (resid  80 and name C  ) (resid 81 and name N  )
    (resid  81 and name CA ) (resid 81 and name C  ) 1.0   -41.0   30.0  2
 !! LYS  82  PHI  
 assign (resid  81 and name C  ) (resid 82 and name N  )
    (resid  82 and name CA ) (resid 82 and name C  ) 1.0   -70.0   30.0  2
 !! LYS  82  CHI1 
 assign (resid  82 and name N  ) (resid 82 and name CA )
    (resid  82 and name CB ) (resid 82 and name CG ) 1.0   -60.0   30.0  2
 !! SER  83  PHI  
 assign (resid  82 and name C  ) (resid 83 and name N  )
    (resid  83 and name CA ) (resid 83 and name C  ) 1.0   -60.0   30.0  2
 !! SER  83  CHI1 
 assign (resid  83 and name N  ) (resid 83 and name CA )
    (resid  83 and name CB ) (resid 83 and name OG ) 1.0    60.0   30.0  2
 !! GLU  84  PHI  
 assign (resid  83 and name C  ) (resid 84 and name N  )
    (resid  84 and name CA ) (resid 84 and name C  ) 1.0   -85.0   30.0  2
 !! GLU  84  CHI1 
 assign (resid  84 and name N  ) (resid 84 and name CA )
    (resid  84 and name CB ) (resid 84 and name CG ) 1.0     0.0   90.0  2
 !! LEU  86  PHI  
 assign (resid  85 and name C  ) (resid 86 and name N  )
    (resid  86 and name CA ) (resid 86 and name C  ) 1.0  -117.5   35.5  2
 !! LEU  86  CHI1 
 assign (resid  86 and name N  ) (resid 86 and name CA )
    (resid  86 and name CB ) (resid 86 and name CG ) 1.0     0.0   90.0  2
 !! GLN  88  CHI1 
 assign (resid  88 and name N  ) (resid 88 and name CA )
    (resid  88 and name CB ) (resid 88 and name CG ) 1.0    60.0   30.0  2
end
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   2          2HT       ALA   2  -5.596  -9.324 -10.595
    2   2H    ALA   2          1HT       ALA   2  -4.792 -10.514  -9.686
    3   3H    ALA   2          3HT       ALA   2  -6.451 -10.668 -10.004
    4    HA   ALA   2           HA       ALA   2  -7.005  -8.867  -8.602
    5   1HB   ALA   2          2HB       ALA   2  -6.445 -11.070  -7.519
    6   2HB   ALA   2          1HB       ALA   2  -4.822 -10.451  -7.221
    7   3HB   ALA   2          3HB       ALA   2  -6.213  -9.678  -6.462
    8    H    GLN   3           HN       GLN   3  -6.479  -6.746  -8.611
    9    HA   GLN   3           HA       GLN   3  -4.134  -5.705  -7.372
   10   1HB   GLN   3          2HB       GLN   3  -3.054  -4.724  -9.434
   11   2HB   GLN   3          1HB       GLN   3  -2.888  -6.472  -9.293
   12   1HG   GLN   3          2HG       GLN   3  -4.277  -6.888 -11.072
   13   2HG   GLN   3          1HG       GLN   3  -5.291  -5.484 -10.739
   14   1HE2  GLN   3          2HE2      GLN   3  -3.545  -3.391 -12.973
   15   2HE2  GLN   3          1HE2      GLN   3  -4.868  -3.583 -11.928
   16    H    LYS   4           HN       LYS   4  -4.175  -3.372  -7.332
   17    HA   LYS   4           HA       LYS   4  -6.342  -2.007  -8.803
   18   1HB   LYS   4          2HB       LYS   4  -7.189  -3.035  -6.541
   19   2HB   LYS   4          1HB       LYS   4  -6.316  -1.686  -5.817
   20   1HG   LYS   4          2HG       LYS   4  -8.034  -0.985  -8.127
   21   2HG   LYS   4          1HG       LYS   4  -8.893  -1.520  -6.683
   22   1HD   LYS   4          2HD       LYS   4  -6.788   0.287  -5.896
   23   2HD   LYS   4          1HD       LYS   4  -7.736   1.037  -7.177
   24   1HE   LYS   4          2HE       LYS   4  -8.924  -0.222  -4.688
   25   2HE   LYS   4          1HE       LYS   4  -8.643   1.507  -4.895
   26   1HZ   LYS   4          3HZ       LYS   4 -10.005   1.212  -7.027
   27   2HZ   LYS   4          2HZ       LYS   4 -10.533  -0.245  -6.329
   28   3HZ   LYS   4          1HZ       LYS   4 -10.830   1.233  -5.546
   29    H    THR   5           HN       THR   5  -5.870   0.147  -9.125
   30    HA   THR   5           HA       THR   5  -3.225   1.077  -8.191
   31    HB   THR   5           HB       THR   5  -5.203   2.438 -10.045
   32    HG1  THR   5           HG1      THR   5  -4.620   0.617 -11.068
   33   1HG2  THR   5          2HG2      THR   5  -2.241   2.846  -9.548
   34   2HG2  THR   5          1HG2      THR   5  -3.184   3.674 -10.787
   35   3HG2  THR   5          3HG2      THR   5  -3.533   3.952  -9.082
   36    H    PHE   6           HN       PHE   6  -3.077   2.283  -6.371
   37    HA   PHE   6           HA       PHE   6  -5.523   3.672  -5.382
   38   1HB   PHE   6          2HB       PHE   6  -2.974   2.790  -4.004
   39   2HB   PHE   6          1HB       PHE   6  -4.189   3.804  -3.224
   40    HD1  PHE   6          1HD       PHE   6  -3.623   0.499  -4.838
   41    HD2  PHE   6          2HD       PHE   6  -6.224   2.886  -2.392
   42    HE1  PHE   6          1HE       PHE   6  -4.963  -1.517  -4.295
   43    HE2  PHE   6          2HE       PHE   6  -7.562   0.870  -1.851
   44    HZ   PHE   6           HZ       PHE   6  -6.934  -1.330  -2.800
   45    H    LYS   7           HN       LYS   7  -5.358   5.873  -4.669
   46    HA   LYS   7           HA       LYS   7  -3.202   7.390  -6.057
   47   1HB   LYS   7          2HB       LYS   7  -5.952   8.136  -5.045
   48   2HB   LYS   7          1HB       LYS   7  -4.770   9.360  -5.512
   49   1HG   LYS   7          2HG       LYS   7  -5.408   7.082  -7.373
   50   2HG   LYS   7          1HG       LYS   7  -6.452   8.502  -7.313
   51   1HD   LYS   7          2HD       LYS   7  -4.693   9.957  -7.977
   52   2HD   LYS   7          1HD       LYS   7  -3.459   8.738  -7.655
   53   1HE   LYS   7          2HE       LYS   7  -5.542   8.666  -9.857
   54   2HE   LYS   7          1HE       LYS   7  -3.802   8.868 -10.056
   55   1HZ   LYS   7          3HZ       LYS   7  -3.708   6.639  -8.772
   56   2HZ   LYS   7          2HZ       LYS   7  -5.317   6.468  -9.291
   57   3HZ   LYS   7          1HZ       LYS   7  -4.067   6.634 -10.430
   58    H    VAL   8           HN       VAL   8  -1.666   8.449  -4.877
   59    HA   VAL   8           HA       VAL   8  -1.791   8.237  -1.931
   60    HB   VAL   8           HB       VAL   8   0.431   9.408  -3.625
   61   1HG1  VAL   8          2HG1      VAL   8   0.109   8.528  -0.770
   62   2HG1  VAL   8          1HG1      VAL   8   1.697   8.446  -1.534
   63   3HG1  VAL   8          3HG1      VAL   8   0.859   9.993  -1.404
   64   1HG2  VAL   8          1HG2      VAL   8  -0.036   6.548  -2.719
   65   2HG2  VAL   8          3HG2      VAL   8   0.015   7.124  -4.385
   66   3HG2  VAL   8          2HG2      VAL   8   1.479   7.142  -3.400
   67    H    THR   9           HN       THR   9  -2.792   9.857  -0.855
   68    HA   THR   9           HA       THR   9  -2.256  12.661  -1.718
   69    HB   THR   9           HB       THR   9  -4.959  11.920  -0.646
   70    HG1  THR   9           HG1      THR   9  -4.110  11.731  -3.345
   71   1HG2  THR   9          2HG2      THR   9  -4.242  14.294  -0.919
   72   2HG2  THR   9          1HG2      THR   9  -4.023  13.997  -2.643
   73   3HG2  THR   9          3HG2      THR   9  -5.630  13.882  -1.926
   74    H    ALA  10           HN       ALA  10  -1.375  10.745   0.545
   75    HA   ALA  10           HA       ALA  10  -2.492  11.917   2.961
   76   1HB   ALA  10          1HB       ALA  10  -1.487   9.560   2.697
   77   2HB   ALA  10          3HB       ALA  10   0.085  10.356   2.780
   78   3HB   ALA  10          2HB       ALA  10  -1.032  10.465   4.141
   79    H    ASP  11           HN       ASP  11  -1.309  13.274   4.449
   80    HA   ASP  11           HA       ASP  11   0.232  15.351   3.163
   81   1HB   ASP  11          2HB       ASP  11  -1.254  15.545   5.260
   82   2HB   ASP  11          1HB       ASP  11   0.114  14.866   6.143
   83    H    SER  12           HN       SER  12   1.103  12.831   5.551
   84    HA   SER  12           HA       SER  12   3.936  13.448   5.423
   85   1HB   SER  12          2HB       SER  12   4.222  11.458   6.793
   86   2HB   SER  12          1HB       SER  12   2.824  12.351   7.384
   87    HG   SER  12           HG       SER  12   2.380  10.122   7.150
   88    H    GLY  13           HN       GLY  13   1.771  11.272   3.717
   89   1HA   GLY  13          2HA       GLY  13   2.316  10.483   1.475
   90   2HA   GLY  13          1HA       GLY  13   4.027  10.554   1.905
   91    H    ILE  14           HN       ILE  14   4.315   8.327   1.282
   92    HA   ILE  14           HA       ILE  14   2.968   6.353   3.077
   93    HB   ILE  14           HB       ILE  14   4.478   5.680   0.546
   94   1HG1  ILE  14          2HG1      ILE  14   2.714   7.271  -0.089
   95   2HG1  ILE  14          1HG1      ILE  14   2.275   5.648  -0.614
   96   1HG2  ILE  14          1HG2      ILE  14   3.537   4.077   2.528
   97   2HG2  ILE  14          3HG2      ILE  14   2.127   4.132   1.472
   98   3HG2  ILE  14          2HG2      ILE  14   3.675   3.568   0.845
   99   1HD1  ILE  14          1HD1      ILE  14   1.150   5.652   1.850
  100   2HD1  ILE  14          3HD1      ILE  14   1.029   7.366   1.458
  101   3HD1  ILE  14          2HD1      ILE  14   0.290   6.165   0.398
  102   1HN   HIP  15           HN       HIP  15   4.845   7.544   4.457
  103    HA   HIP  15           HA       HIP  15   7.462   6.298   4.027
  104   1HB   HIP  15          1HB       HIP  15   7.229   8.683   4.784
  105   2HB   HIP  15          2HB       HIP  15   8.273   7.702   5.795
  106    HD2  HIP  15          2HD       HIP  15   4.348   8.304   6.108
  107    HE2  HIP  15          2HE       HIP  15   3.968   8.958   8.592
  108    HE1  HIP  15          1HE       HIP  15   6.175   9.030   9.830
  109    H    ALA  16           HN       ALA  16   7.914   6.124   7.054
  110    HA   ALA  16           HA       ALA  16   7.401   3.320   7.272
  111   1HB   ALA  16          1HB       ALA  16   8.429   5.432   9.124
  112   2HB   ALA  16          3HB       ALA  16   8.018   3.843   9.772
  113   3HB   ALA  16          2HB       ALA  16   9.237   3.991   8.506
  114    H    ARG  17           HN       ARG  17   5.755   6.084   8.889
  115    HA   ARG  17           HA       ARG  17   4.111   4.616  10.621
  116   1HB   ARG  17          2HB       ARG  17   4.282   7.272   9.874
  117   2HB   ARG  17          1HB       ARG  17   2.659   6.827   9.355
  118   1HG   ARG  17          2HG       ARG  17   2.408   7.538  11.608
  119   2HG   ARG  17          1HG       ARG  17   2.375   5.776  11.678
  120   1HD   ARG  17          2HD       ARG  17   4.651   5.671  12.418
  121   2HD   ARG  17          1HD       ARG  17   4.912   7.379  12.064
  122    HE   ARG  17           HE       ARG  17   3.218   7.817  13.932
  123   1HH1  ARG  17          HH11      ARG  17   2.546   4.950  14.459
  124   2HH1  ARG  17          HH12      ARG  17   3.565   4.578  15.810
  125   1HH2  ARG  17          HH21      ARG  17   5.624   7.330  15.353
  126   2HH2  ARG  17          HH22      ARG  17   5.307   5.926  16.316
  127    HA   PRO  18           HA       PRO  18   0.760   4.055   7.264
  128   1HB   PRO  18          2HB       PRO  18   1.435   4.584   4.647
  129   2HB   PRO  18          1HB       PRO  18   0.667   5.762   5.726
  130   1HG   PRO  18          2HG       PRO  18   3.512   5.598   4.835
  131   2HG   PRO  18          1HG       PRO  18   2.557   7.021   5.284
  132   1HD   PRO  18          2HD       PRO  18   4.454   5.779   6.921
  133   2HD   PRO  18          1HD       PRO  18   3.186   6.878   7.486
  134    H    ALA  19           HN       ALA  19   4.114   3.364   6.497
  135    HA   ALA  19           HA       ALA  19   3.608   0.996   4.908
  136   1HB   ALA  19          2HB       ALA  19   5.768   2.302   4.915
  137   2HB   ALA  19          1HB       ALA  19   6.089   1.651   6.522
  138   3HB   ALA  19          3HB       ALA  19   5.976   0.566   5.137
  139    H    THR  20           HN       THR  20   3.608   1.685   8.318
  140    HA   THR  20           HA       THR  20   3.961  -1.117   9.116
  141    HB   THR  20           HB       THR  20   2.884   0.956  10.981
  142    HG1  THR  20           HG1      THR  20   4.928   1.847  11.189
  143   1HG2  THR  20          3HG2      THR  20   4.524  -1.515  11.054
  144   2HG2  THR  20          2HG2      THR  20   4.972  -0.257  12.208
  145   3HG2  THR  20          1HG2      THR  20   3.335  -0.916  12.212
  146    H    VAL  21           HN       VAL  21   1.370   1.189   8.560
  147    HA   VAL  21           HA       VAL  21  -0.739  -0.379   9.778
  148    HB   VAL  21           HB       VAL  21  -1.025   1.616   7.540
  149   1HG1  VAL  21          2HG1      VAL  21  -2.830   0.329   9.541
  150   2HG1  VAL  21          1HG1      VAL  21  -3.165   2.000   9.088
  151   3HG1  VAL  21          3HG1      VAL  21  -3.139   0.740   7.854
  152   1HG2  VAL  21          3HG2      VAL  21  -0.442   1.992  10.458
  153   2HG2  VAL  21          2HG2      VAL  21   0.136   2.925   9.077
  154   3HG2  VAL  21          1HG2      VAL  21  -1.515   3.140   9.659
  155    H    LEU  22           HN       LEU  22   0.633  -0.095   6.562
  156    HA   LEU  22           HA       LEU  22  -1.298  -1.826   5.281
  157   1HB   LEU  22          2HB       LEU  22   1.442  -0.839   4.463
  158   2HB   LEU  22          1HB       LEU  22   0.366  -1.756   3.402
  159    HG   LEU  22           HG       LEU  22  -0.403   0.845   4.765
  160   1HD1  LEU  22          3HD1      LEU  22   0.826   0.232   2.081
  161   2HD1  LEU  22          2HD1      LEU  22  -0.265   1.608   2.254
  162   3HD1  LEU  22          1HD1      LEU  22   1.216   1.532   3.210
  163   1HD2  LEU  22          1HD2      LEU  22  -1.691  -0.959   2.702
  164   2HD2  LEU  22          3HD2      LEU  22  -2.359  -0.416   4.241
  165   3HD2  LEU  22          2HD2      LEU  22  -2.179   0.723   2.907
  166    H    VAL  23           HN       VAL  23   2.129  -2.284   6.267
  167    HA   VAL  23           HA       VAL  23   2.396  -4.978   5.479
  168    HB   VAL  23           HB       VAL  23   4.278  -3.588   6.301
  169   1HG1  VAL  23          3HG1      VAL  23   2.967  -2.565   8.190
  170   2HG1  VAL  23          2HG1      VAL  23   3.138  -4.087   9.063
  171   3HG1  VAL  23          1HG1      VAL  23   4.568  -3.140   8.656
  172   1HG2  VAL  23          2HG2      VAL  23   4.010  -6.264   6.545
  173   2HG2  VAL  23          1HG2      VAL  23   5.467  -5.408   7.046
  174   3HG2  VAL  23          3HG2      VAL  23   4.247  -5.847   8.241
  175    H    GLN  24           HN       GLN  24   0.724  -3.622   8.245
  176    HA   GLN  24           HA       GLN  24   0.437  -6.127   9.686
  177   1HB   GLN  24          2HB       GLN  24  -0.948  -3.446   9.848
  178   2HB   GLN  24          1HB       GLN  24  -1.442  -4.808  10.851
  179   1HG   GLN  24          2HG       GLN  24   1.418  -4.584  10.983
  180   2HG   GLN  24          1HG       GLN  24   0.723  -2.993  11.287
  181   1HE2  GLN  24          2HE2      GLN  24   0.265  -5.956  14.041
  182   2HE2  GLN  24          1HE2      GLN  24   1.027  -6.262  12.556
  183    H    THR  25           HN       THR  25  -1.565  -4.309   7.377
  184    HA   THR  25           HA       THR  25  -3.848  -6.064   7.537
  185    HB   THR  25           HB       THR  25  -3.012  -4.352   5.180
  186    HG1  THR  25           HG1      THR  25  -3.332  -2.752   6.473
  187   1HG2  THR  25          3HG2      THR  25  -4.917  -6.059   4.987
  188   2HG2  THR  25          2HG2      THR  25  -5.788  -5.049   6.141
  189   3HG2  THR  25          1HG2      THR  25  -5.310  -4.389   4.577
  190    H    ALA  26           HN       ALA  26  -1.583  -5.686   4.788
  191    HA   ALA  26           HA       ALA  26  -2.261  -8.066   3.448
  192   1HB   ALA  26          1HB       ALA  26   0.439  -6.694   3.567
  193   2HB   ALA  26          3HB       ALA  26  -0.055  -7.870   2.351
  194   3HB   ALA  26          2HB       ALA  26  -0.865  -6.308   2.445
  195    H    SER  27           HN       SER  27  -0.333  -7.642   6.329
  196    HA   SER  27           HA       SER  27   1.233 -10.014   6.254
  197   1HB   SER  27          2HB       SER  27   0.296  -8.132   8.331
  198   2HB   SER  27          1HB       SER  27   0.658  -9.753   8.917
  199    HG   SER  27           HG       SER  27   2.503  -8.387   8.902
  200    H    LYS  28           HN       LYS  28  -2.062  -9.469   7.505
  201    HA   LYS  28           HA       LYS  28  -2.508 -12.135   8.435
  202   1HB   LYS  28          2HB       LYS  28  -4.246  -9.819   7.677
  203   2HB   LYS  28          1HB       LYS  28  -5.001 -11.404   7.851
  204   1HG   LYS  28          2HG       LYS  28  -5.144 -10.510  10.023
  205   2HG   LYS  28          1HG       LYS  28  -3.704 -11.526  10.102
  206   1HD   LYS  28          2HD       LYS  28  -2.258  -9.718  10.147
  207   2HD   LYS  28          1HD       LYS  28  -3.373  -8.673   9.266
  208   1HE   LYS  28          2HE       LYS  28  -4.835  -8.556  11.255
  209   2HE   LYS  28          1HE       LYS  28  -3.710  -9.589  12.137
  210   1HZ   LYS  28          3HZ       LYS  28  -2.879  -7.035  10.892
  211   2HZ   LYS  28          2HZ       LYS  28  -3.467  -7.121  12.484
  212   3HZ   LYS  28          1HZ       LYS  28  -2.049  -7.952  12.053
  213    H    TYR  29           HN       TYR  29  -2.658 -10.689   5.240
  214    HA   TYR  29           HA       TYR  29  -3.961 -13.076   4.091
  215   1HB   TYR  29          2HB       TYR  29  -2.877 -10.589   2.725
  216   2HB   TYR  29          1HB       TYR  29  -3.875 -11.836   1.976
  217    HD1  TYR  29          2HD       TYR  29  -6.236 -12.133   2.631
  218    HD2  TYR  29          1HD       TYR  29  -3.832  -8.969   4.257
  219    HE1  TYR  29          2HE       TYR  29  -8.283 -10.995   3.446
  220    HE2  TYR  29          1HE       TYR  29  -5.877  -7.832   5.073
  221    HH   TYR  29           HH       TYR  29  -9.015  -8.758   4.074
  222    H    ASP  30           HN       ASP  30  -2.837 -14.737   3.221
  223    HA   ASP  30           HA       ASP  30   0.071 -14.751   3.336
  224   1HB   ASP  30          2HB       ASP  30  -1.844 -16.768   2.126
  225   2HB   ASP  30          1HB       ASP  30  -0.134 -17.043   2.469
  226    H    ALA  31           HN       ALA  31  -2.242 -13.853   0.929
  227    HA   ALA  31           HA       ALA  31  -0.881 -14.520  -1.465
  228   1HB   ALA  31          3HB       ALA  31  -3.219 -13.341  -0.995
  229   2HB   ALA  31          2HB       ALA  31  -2.267 -11.878  -1.254
  230   3HB   ALA  31          1HB       ALA  31  -2.371 -13.100  -2.523
  231    H    ASP  32           HN       ASP  32   0.588 -13.300  -2.763
  232    HA   ASP  32           HA       ASP  32   2.437 -11.625  -1.184
  233   1HB   ASP  32          2HB       ASP  32   2.554 -13.068  -3.806
  234   2HB   ASP  32          1HB       ASP  32   3.641 -11.702  -3.552
  235    H    VAL  33           HN       VAL  33   0.999  -9.764  -1.008
  236    HA   VAL  33           HA       VAL  33   0.311  -8.349  -3.509
  237    HB   VAL  33           HB       VAL  33  -0.876  -6.778  -2.044
  238   1HG1  VAL  33          2HG1      VAL  33  -1.471  -9.513  -2.341
  239   2HG1  VAL  33          1HG1      VAL  33  -1.775  -9.168  -0.639
  240   3HG1  VAL  33          3HG1      VAL  33  -2.594  -8.232  -1.890
  241   1HG2  VAL  33          1HG2      VAL  33   0.848  -8.057  -0.005
  242   2HG2  VAL  33          3HG2      VAL  33   0.168  -6.430  -0.043
  243   3HG2  VAL  33          2HG2      VAL  33  -0.818  -7.784   0.505
  244    H    ASN  34           HN       ASN  34   1.686  -6.883  -4.390
  245    HA   ASN  34           HA       ASN  34   3.710  -5.613  -2.587
  246   1HB   ASN  34          2HB       ASN  34   4.070  -6.385  -5.499
  247   2HB   ASN  34          1HB       ASN  34   5.291  -5.653  -4.457
  248   1HD2  ASN  34          2HD2      ASN  34   5.618  -9.443  -4.501
  249   2HD2  ASN  34          1HD2      ASN  34   5.486  -8.306  -5.753
  250    H    LEU  35           HN       LEU  35   4.147  -3.422  -2.949
  251    HA   LEU  35           HA       LEU  35   2.090  -1.977  -4.530
  252   1HB   LEU  35          2HB       LEU  35   2.736  -1.466  -2.060
  253   2HB   LEU  35          1HB       LEU  35   4.160  -0.693  -2.754
  254    HG   LEU  35           HG       LEU  35   1.597   0.034  -4.045
  255   1HD1  LEU  35          1HD1      LEU  35   1.390  -0.136  -1.361
  256   2HD1  LEU  35          3HD1      LEU  35   2.120   1.464  -1.489
  257   3HD1  LEU  35          2HD1      LEU  35   0.590   1.126  -2.297
  258   1HD2  LEU  35          3HD2      LEU  35   4.205   1.265  -3.276
  259   2HD2  LEU  35          2HD2      LEU  35   3.320   1.370  -4.798
  260   3HD2  LEU  35          1HD2      LEU  35   2.817   2.345  -3.418
  261    H    GLU  36           HN       GLU  36   2.783  -0.215  -5.964
  262    HA   GLU  36           HA       GLU  36   5.570  -0.574  -6.999
  263   1HB   GLU  36          2HB       GLU  36   3.581  -1.456  -8.436
  264   2HB   GLU  36          1HB       GLU  36   3.267   0.250  -8.758
  265   1HG   GLU  36          2HG       GLU  36   5.922   0.213  -9.214
  266   2HG   GLU  36          1HG       GLU  36   5.540  -1.457  -9.639
  267    H    TYR  37           HN       TYR  37   6.731   1.302  -7.227
  268    HA   TYR  37           HA       TYR  37   5.412   3.893  -7.547
  269   1HB   TYR  37          2HB       TYR  37   5.263   3.436  -5.075
  270   2HB   TYR  37          1HB       TYR  37   7.026   3.393  -5.030
  271    HD1  TYR  37          1HD       TYR  37   4.122   5.547  -5.959
  272    HD2  TYR  37          2HD       TYR  37   8.289   5.391  -4.927
  273    HE1  TYR  37          1HE       TYR  37   4.179   8.021  -5.815
  274    HE2  TYR  37          2HE       TYR  37   8.347   7.866  -4.783
  275    HH   TYR  37           HH       TYR  37   6.531   9.824  -6.075
  276    H    ASN  38           HN       ASN  38   6.745   5.150  -8.752
  277    HA   ASN  38           HA       ASN  38   8.672   5.917  -9.838
  278   1HB   ASN  38          2HB       ASN  38   9.594   5.136  -7.121
  279   2HB   ASN  38          1HB       ASN  38  10.848   5.336  -8.345
  280   1HD2  ASN  38          2HD2      ASN  38  10.683   8.842  -8.204
  281   2HD2  ASN  38          1HD2      ASN  38  11.556   7.454  -8.641
  282    H    GLY  39           HN       GLY  39   7.701   3.162 -10.308
  283   1HA   GLY  39          2HA       GLY  39   8.386   1.360 -11.648
  284   2HA   GLY  39          1HA       GLY  39   9.903   2.219 -11.908
  285    H    LYS  40           HN       LYS  40   8.712   1.433  -8.703
  286    HA   LYS  40           HA       LYS  40  10.769  -0.721  -8.485
  287   1HB   LYS  40          2HB       LYS  40  10.439   1.754  -6.839
  288   2HB   LYS  40          1HB       LYS  40  10.909   0.271  -6.008
  289   1HG   LYS  40          2HG       LYS  40  13.024   0.831  -6.619
  290   2HG   LYS  40          1HG       LYS  40  12.561   0.217  -8.204
  291   1HD   LYS  40          2HD       LYS  40  13.043   2.279  -8.997
  292   2HD   LYS  40          1HD       LYS  40  11.559   2.814  -8.212
  293   1HE   LYS  40          2HE       LYS  40  13.930   2.605  -6.445
  294   2HE   LYS  40          1HE       LYS  40  14.002   3.873  -7.669
  295   1HZ   LYS  40          2HZ       LYS  40  11.576   3.521  -6.034
  296   2HZ   LYS  40          1HZ       LYS  40  12.907   4.375  -5.411
  297   3HZ   LYS  40          3HZ       LYS  40  12.143   4.914  -6.826
  298    H    THR  41           HN       THR  41   9.696  -2.555  -7.973
  299    HA   THR  41           HA       THR  41   7.106  -2.364  -6.539
  300    HB   THR  41           HB       THR  41   8.419  -4.809  -7.756
  301    HG1  THR  41           HG1      THR  41   6.447  -3.094  -8.853
  302   1HG2  THR  41          2HG2      THR  41   5.794  -4.186  -6.488
  303   2HG2  THR  41          1HG2      THR  41   5.787  -5.274  -7.875
  304   3HG2  THR  41          3HG2      THR  41   6.738  -5.675  -6.445
  305    H    VAL  42           HN       VAL  42   7.373  -2.313  -4.357
  306    HA   VAL  42           HA       VAL  42   9.396  -4.144  -3.134
  307    HB   VAL  42           HB       VAL  42   8.807  -2.733  -1.014
  308   1HG1  VAL  42          3HG1      VAL  42  10.845  -2.649  -2.813
  309   2HG1  VAL  42          2HG1      VAL  42  10.258  -0.988  -2.905
  310   3HG1  VAL  42          1HG1      VAL  42  10.769  -1.659  -1.355
  311   1HG2  VAL  42          3HG2      VAL  42   6.869  -1.569  -2.084
  312   2HG2  VAL  42          2HG2      VAL  42   8.082  -0.448  -1.467
  313   3HG2  VAL  42          1HG2      VAL  42   7.993  -0.786  -3.196
  314    H    ASN  43           HN       ASN  43   8.729  -5.551  -1.455
  315    HA   ASN  43           HA       ASN  43   6.069  -6.606  -1.690
  316   1HB   ASN  43          2HB       ASN  43   8.185  -7.812  -0.862
  317   2HB   ASN  43          1HB       ASN  43   7.893  -7.020   0.687
  318   1HD2  ASN  43          2HD2      ASN  43   6.113 -10.376   0.519
  319   2HD2  ASN  43          1HD2      ASN  43   7.715  -9.926   0.187
  320    H    LEU  44           HN       LEU  44   4.225  -6.044  -0.600
  321    HA   LEU  44           HA       LEU  44   3.923  -3.609   0.765
  322   1HB   LEU  44          2HB       LEU  44   2.125  -5.200  -0.185
  323   2HB   LEU  44          1HB       LEU  44   2.227  -6.048   1.352
  324    HG   LEU  44           HG       LEU  44   0.375  -4.342   1.214
  325   1HD1  LEU  44          3HD1      LEU  44   1.992  -5.010   3.323
  326   2HD1  LEU  44          2HD1      LEU  44   2.071  -3.249   3.352
  327   3HD1  LEU  44          1HD1      LEU  44   0.511  -4.063   3.446
  328   1HD2  LEU  44          3HD2      LEU  44   1.787  -2.670  -0.098
  329   2HD2  LEU  44          2HD2      LEU  44   0.858  -1.995   1.242
  330   3HD2  LEU  44          1HD2      LEU  44   2.588  -2.284   1.426
  331    H    LYS  45           HN       LYS  45   5.032  -6.694   1.969
  332    HA   LYS  45           HA       LYS  45   4.874  -5.803   4.785
  333   1HB   LYS  45          2HB       LYS  45   5.811  -8.374   3.476
  334   2HB   LYS  45          1HB       LYS  45   5.914  -8.078   5.212
  335   1HG   LYS  45          2HG       LYS  45   3.848  -9.117   5.114
  336   2HG   LYS  45          1HG       LYS  45   3.354  -7.437   4.913
  337   1HD   LYS  45          2HD       LYS  45   2.419  -7.981   2.939
  338   2HD   LYS  45          1HD       LYS  45   4.021  -8.371   2.318
  339   1HE   LYS  45          2HE       LYS  45   2.452 -10.353   3.967
  340   2HE   LYS  45          1HE       LYS  45   2.230 -10.228   2.222
  341   1HZ   LYS  45          2HZ       LYS  45   4.936 -10.475   3.362
  342   2HZ   LYS  45          1HZ       LYS  45   3.973 -11.859   3.147
  343   3HZ   LYS  45          3HZ       LYS  45   4.383 -10.897   1.811
  344    H    SER  46           HN       SER  46   6.417  -4.041   3.512
  345    HA   SER  46           HA       SER  46   9.145  -4.659   4.502
  346   1HB   SER  46          2HB       SER  46   8.747  -4.974   1.871
  347   2HB   SER  46          1HB       SER  46   8.942  -3.221   1.879
  348    HG   SER  46           HG       SER  46  10.816  -5.084   2.017
  349    H    ILE  47           HN       ILE  47   8.492  -3.186   6.189
  350    HA   ILE  47           HA       ILE  47   7.555  -0.522   5.659
  351    HB   ILE  47           HB       ILE  47   9.042  -1.499   8.110
  352   1HG1  ILE  47          2HG1      ILE  47   6.092  -1.624   7.376
  353   2HG1  ILE  47          1HG1      ILE  47   7.165  -2.997   7.622
  354   1HG2  ILE  47          2HG2      ILE  47   8.504   1.034   7.573
  355   2HG2  ILE  47          1HG2      ILE  47   6.867   0.575   8.046
  356   3HG2  ILE  47          3HG2      ILE  47   8.200   0.394   9.188
  357   1HD1  ILE  47          1HD1      ILE  47   7.536  -1.764   9.983
  358   2HD1  ILE  47          3HD1      ILE  47   5.898  -1.210   9.635
  359   3HD1  ILE  47          2HD1      ILE  47   6.245  -2.937   9.723
  360    H    MET  48           HN       MET  48  10.788  -1.887   6.207
  361    HA   MET  48           HA       MET  48  12.114   0.698   6.095
  362   1HB   MET  48          2HB       MET  48  12.949  -1.467   7.229
  363   2HB   MET  48          1HB       MET  48  13.431  -1.971   5.608
  364   1HG   MET  48          2HG       MET  48  15.369  -0.895   6.211
  365   2HG   MET  48          1HG       MET  48  14.481   0.495   5.588
  366   1HE   MET  48          1HE       MET  48  16.571   1.309   6.925
  367   2HE   MET  48          3HE       MET  48  15.372   2.596   7.112
  368   3HE   MET  48          2HE       MET  48  16.325   2.067   8.495
  369    H    GLY  49           HN       GLY  49  11.145  -1.726   3.761
  370   1HA   GLY  49          2HA       GLY  49  12.910  -0.819   1.640
  371   2HA   GLY  49          1HA       GLY  49  11.524  -1.890   1.443
  372    H    VAL  50           HN       VAL  50   9.656   0.005   2.721
  373    HA   VAL  50           HA       VAL  50   8.967   1.534   0.353
  374    HB   VAL  50           HB       VAL  50   7.805   1.747   3.147
  375   1HG1  VAL  50          1HG1      VAL  50   7.360   3.522   1.267
  376   2HG1  VAL  50          3HG1      VAL  50   6.358   2.255   0.557
  377   3HG1  VAL  50          2HG1      VAL  50   5.995   2.868   2.170
  378   1HG2  VAL  50          2HG2      VAL  50   7.865  -0.538   1.665
  379   2HG2  VAL  50          1HG2      VAL  50   6.538  -0.117   2.747
  380   3HG2  VAL  50          3HG2      VAL  50   6.408   0.216   1.020
  381    H    VAL  51           HN       VAL  51  10.672   2.219   3.341
  382    HA   VAL  51           HA       VAL  51  10.469   5.068   3.323
  383    HB   VAL  51           HB       VAL  51  12.839   3.423   4.254
  384   1HG1  VAL  51          2HG1      VAL  51  11.763   6.152   5.025
  385   2HG1  VAL  51          1HG1      VAL  51  13.075   5.323   5.863
  386   3HG1  VAL  51          3HG1      VAL  51  13.277   5.820   4.183
  387   1HG2  VAL  51          3HG2      VAL  51  10.084   3.731   5.309
  388   2HG2  VAL  51          2HG2      VAL  51  11.258   2.444   5.586
  389   3HG2  VAL  51          1HG2      VAL  51  11.372   3.952   6.494
  390    H    SER  52           HN       SER  52  12.574   2.837   1.581
  391    HA   SER  52           HA       SER  52  14.457   4.758   0.603
  392   1HB   SER  52          2HB       SER  52  15.094   3.077  -0.988
  393   2HB   SER  52          1HB       SER  52  14.653   2.224   0.488
  394    HG   SER  52           HG       SER  52  13.365   1.188  -0.822
  395    H    LEU  53           HN       LEU  53  11.235   3.823  -0.458
  396    HA   LEU  53           HA       LEU  53  11.358   5.167  -3.021
  397   1HB   LEU  53          2HB       LEU  53   8.916   4.490  -1.353
  398   2HB   LEU  53          1HB       LEU  53   8.943   4.835  -3.083
  399    HG   LEU  53           HG       LEU  53  10.467   2.550  -1.802
  400   1HD1  LEU  53          3HD1      LEU  53   7.665   2.783  -2.804
  401   2HD1  LEU  53          2HD1      LEU  53   8.552   1.314  -3.210
  402   3HD1  LEU  53          1HD1      LEU  53   8.317   1.764  -1.521
  403   1HD2  LEU  53          2HD2      LEU  53   9.978   3.523  -4.607
  404   2HD2  LEU  53          1HD2      LEU  53  11.490   3.006  -3.861
  405   3HD2  LEU  53          3HD2      LEU  53  10.274   1.810  -4.312
  406    H    GLY  54           HN       GLY  54  10.047   6.056   0.177
  407   1HA   GLY  54          2HA       GLY  54   9.580   8.166   1.092
  408   2HA   GLY  54          1HA       GLY  54  10.693   8.827  -0.106
  409    H    ILE  55           HN       ILE  55   7.428   7.346  -0.077
  410    HA   ILE  55           HA       ILE  55   6.595   8.895  -2.398
  411    HB   ILE  55           HB       ILE  55   4.852   7.377  -0.430
  412   1HG1  ILE  55          2HG1      ILE  55   6.142   6.393  -2.999
  413   2HG1  ILE  55          1HG1      ILE  55   6.720   5.992  -1.382
  414   1HG2  ILE  55          3HG2      ILE  55   4.484   8.224  -3.321
  415   2HG2  ILE  55          2HG2      ILE  55   3.371   7.186  -2.431
  416   3HG2  ILE  55          1HG2      ILE  55   3.612   8.858  -1.926
  417   1HD1  ILE  55          2HD1      ILE  55   3.831   5.527  -1.844
  418   2HD1  ILE  55          1HD1      ILE  55   4.920   4.479  -2.751
  419   3HD1  ILE  55          3HD1      ILE  55   5.011   4.531  -0.991
  420    H    ALA  56           HN       ALA  56   4.971  10.562  -2.385
  421    HA   ALA  56           HA       ALA  56   4.485  11.860   0.252
  422   1HB   ALA  56          1HB       ALA  56   6.420  12.775  -1.468
  423   2HB   ALA  56          3HB       ALA  56   5.022  13.730  -1.966
  424   3HB   ALA  56          2HB       ALA  56   5.575  13.780  -0.291
  425    H    LYS  57           HN       LYS  57   3.128  14.092  -0.667
  426    HA   LYS  57           HA       LYS  57   0.603  12.895  -1.534
  427   1HB   LYS  57          2HB       LYS  57  -0.253  15.241  -1.317
  428   2HB   LYS  57          1HB       LYS  57   0.535  14.652   0.145
  429   1HG   LYS  57          2HG       LYS  57   2.421  15.926  -1.704
  430   2HG   LYS  57          1HG       LYS  57   1.140  17.020  -1.188
  431   1HD   LYS  57          2HD       LYS  57   1.732  15.887   1.192
  432   2HD   LYS  57          1HD       LYS  57   3.308  15.760   0.409
  433   1HE   LYS  57          2HE       LYS  57   1.677  18.299   0.707
  434   2HE   LYS  57          1HE       LYS  57   3.131  17.891   1.619
  435   1HZ   LYS  57          2HZ       LYS  57   4.230  17.666  -0.640
  436   2HZ   LYS  57          1HZ       LYS  57   2.879  18.483  -1.265
  437   3HZ   LYS  57          3HZ       LYS  57   3.869  19.240  -0.115
  438    H    GLY  58           HN       GLY  58  -0.394  13.185  -3.529
  439   1HA   GLY  58          2HA       GLY  58  -0.673  14.026  -5.742
  440   2HA   GLY  58          1HA       GLY  58   0.800  14.975  -5.539
  441    H    ALA  59           HN       ALA  59   0.303  11.478  -5.081
  442    HA   ALA  59           HA       ALA  59   2.091  10.974  -7.413
  443   1HB   ALA  59          3HB       ALA  59   3.059  10.876  -4.856
  444   2HB   ALA  59          2HB       ALA  59   2.530   9.209  -5.080
  445   3HB   ALA  59          1HB       ALA  59   3.701   9.920  -6.192
  446    H    GLU  60           HN       GLU  60   2.164   8.389  -7.662
  447    HA   GLU  60           HA       GLU  60  -0.581   7.317  -7.172
  448   1HB   GLU  60          2HB       GLU  60   0.948   7.469  -9.768
  449   2HB   GLU  60          1HB       GLU  60  -0.274   6.223  -9.510
  450   1HG   GLU  60          2HG       GLU  60  -1.673   7.837 -10.337
  451   2HG   GLU  60          1HG       GLU  60  -1.656   8.388  -8.661
  452    H    ILE  61           HN       ILE  61  -0.666   4.991  -7.060
  453    HA   ILE  61           HA       ILE  61   1.948   3.576  -6.978
  454    HB   ILE  61           HB       ILE  61   1.268   2.512  -4.808
  455   1HG1  ILE  61          2HG1      ILE  61  -0.832   4.707  -4.814
  456   2HG1  ILE  61          1HG1      ILE  61  -1.170   2.994  -5.053
  457   1HG2  ILE  61          1HG2      ILE  61   1.547   5.533  -4.854
  458   2HG2  ILE  61          3HG2      ILE  61   1.768   4.533  -3.418
  459   3HG2  ILE  61          2HG2      ILE  61   2.861   4.359  -4.791
  460   1HD1  ILE  61          1HD1      ILE  61   0.377   3.066  -2.722
  461   2HD1  ILE  61          3HD1      ILE  61  -0.704   4.451  -2.571
  462   3HD1  ILE  61          2HD1      ILE  61  -1.369   2.835  -2.809
  463    H    THR  62           HN       THR  62   1.774   1.375  -7.516
  464    HA   THR  62           HA       THR  62  -0.967   0.473  -8.316
  465    HB   THR  62           HB       THR  62   1.481  -0.731  -9.539
  466    HG1  THR  62           HG1      THR  62   1.363   1.003 -11.105
  467   1HG2  THR  62          3HG2      THR  62  -1.108  -1.224  -9.904
  468   2HG2  THR  62          2HG2      THR  62  -0.970   0.146 -11.007
  469   3HG2  THR  62          1HG2      THR  62   0.030  -1.286 -11.249
  470    H    ILE  63           HN       ILE  63  -1.687  -1.094  -6.982
  471    HA   ILE  63           HA       ILE  63   0.295  -2.855  -5.617
  472    HB   ILE  63           HB       ILE  63  -2.643  -2.348  -5.032
  473   1HG1  ILE  63          2HG1      ILE  63  -0.152  -1.494  -3.524
  474   2HG1  ILE  63          1HG1      ILE  63  -1.088  -0.437  -4.581
  475   1HG2  ILE  63          3HG2      ILE  63  -0.572  -4.155  -3.809
  476   2HG2  ILE  63          2HG2      ILE  63  -1.852  -3.479  -2.802
  477   3HG2  ILE  63          1HG2      ILE  63  -2.261  -4.496  -4.185
  478   1HD1  ILE  63          1HD1      ILE  63  -3.070  -1.417  -2.997
  479   2HD1  ILE  63          3HD1      ILE  63  -1.722  -1.430  -1.862
  480   3HD1  ILE  63          2HD1      ILE  63  -2.197   0.075  -2.651
  481    H    SER  64           HN       SER  64  -0.018  -5.157  -5.676
  482    HA   SER  64           HA       SER  64  -2.092  -6.233  -7.480
  483   1HB   SER  64          2HB       SER  64  -0.247  -7.549  -8.699
  484   2HB   SER  64          1HB       SER  64  -0.424  -5.848  -9.120
  485    HG   SER  64           HG       SER  64   1.661  -7.155  -7.975
  486    H    ALA  65           HN       ALA  65  -2.940  -7.814  -6.224
  487    HA   ALA  65           HA       ALA  65  -1.233  -9.264  -4.294
  488   1HB   ALA  65          2HB       ALA  65  -3.511  -8.464  -3.648
  489   2HB   ALA  65          1HB       ALA  65  -4.202  -9.547  -4.855
  490   3HB   ALA  65          3HB       ALA  65  -3.329 -10.209  -3.472
  491    H    SER  66           HN       SER  66  -0.441 -11.292  -4.702
  492    HA   SER  66           HA       SER  66  -1.708 -12.917  -6.851
  493   1HB   SER  66          2HB       SER  66   1.243 -12.993  -6.772
  494   2HB   SER  66          1HB       SER  66   0.157 -13.068  -8.151
  495    HG   SER  66           HG       SER  66  -0.033 -10.880  -8.116
  496    H    GLY  67           HN       GLY  67  -2.454 -14.505  -5.464
  497   1HA   GLY  67          2HA       GLY  67  -0.690 -16.542  -4.578
  498   2HA   GLY  67          1HA       GLY  67  -1.054 -15.516  -3.189
  499    H    ALA  68           HN       ALA  68  -2.440 -16.820  -2.026
  500    HA   ALA  68           HA       ALA  68  -4.574 -18.336  -3.343
  501   1HB   ALA  68          3HB       ALA  68  -3.572 -17.999  -0.545
  502   2HB   ALA  68          2HB       ALA  68  -5.232 -18.554  -0.766
  503   3HB   ALA  68          1HB       ALA  68  -3.895 -19.479  -1.450
  504    H    ASP  69           HN       ASP  69  -4.857 -16.093  -0.582
  505    HA   ASP  69           HA       ASP  69  -7.461 -15.182  -1.655
  506   1HB   ASP  69          2HB       ASP  69  -7.634 -14.006   0.559
  507   2HB   ASP  69          1HB       ASP  69  -7.419 -15.750   0.708
  508    H    GLU  70           HN       GLU  70  -5.481 -14.321  -3.302
  509    HA   GLU  70           HA       GLU  70  -4.222 -11.850  -2.667
  510   1HB   GLU  70          2HB       GLU  70  -4.209 -11.517  -5.187
  511   2HB   GLU  70          1HB       GLU  70  -3.507 -13.033  -4.630
  512   1HG   GLU  70          2HG       GLU  70  -5.403 -14.289  -5.288
  513   2HG   GLU  70          1HG       GLU  70  -6.416 -12.851  -5.413
  514    H    ASN  71           HN       ASN  71  -7.495 -12.581  -3.736
  515    HA   ASN  71           HA       ASN  71  -8.197  -9.833  -4.360
  516   1HB   ASN  71          2HB       ASN  71  -9.656 -12.424  -4.069
  517   2HB   ASN  71          1HB       ASN  71 -10.596 -10.938  -3.936
  518   1HD2  ASN  71          2HD2      ASN  71  -8.526 -11.208  -7.471
  519   2HD2  ASN  71          1HD2      ASN  71  -7.710 -11.451  -6.002
  520    H    ASP  72           HN       ASP  72  -8.436 -11.894  -1.491
  521    HA   ASP  72           HA       ASP  72 -10.052 -10.069   0.050
  522   1HB   ASP  72          2HB       ASP  72  -8.123 -12.155   1.094
  523   2HB   ASP  72          1HB       ASP  72  -9.505 -11.467   1.945
  524    H    ALA  73           HN       ALA  73  -6.621 -10.292  -0.600
  525    HA   ALA  73           HA       ALA  73  -5.829  -8.609   1.641
  526   1HB   ALA  73          2HB       ALA  73  -4.333  -9.455  -0.853
  527   2HB   ALA  73          1HB       ALA  73  -3.612  -8.601   0.512
  528   3HB   ALA  73          3HB       ALA  73  -4.255 -10.229   0.730
  529    H    LEU  74           HN       LEU  74  -6.194  -8.052  -1.889
  530    HA   LEU  74           HA       LEU  74  -5.291  -5.358  -1.838
  531   1HB   LEU  74          2HB       LEU  74  -6.353  -5.087  -4.002
  532   2HB   LEU  74          1HB       LEU  74  -5.607  -6.678  -3.918
  533    HG   LEU  74           HG       LEU  74  -8.008  -7.394  -3.065
  534   1HD1  LEU  74          2HD1      LEU  74  -8.456  -4.689  -3.608
  535   2HD1  LEU  74          1HD1      LEU  74  -9.119  -5.519  -5.016
  536   3HD1  LEU  74          3HD1      LEU  74  -9.697  -5.924  -3.400
  537   1HD2  LEU  74          3HD2      LEU  74  -7.287  -6.812  -5.951
  538   2HD2  LEU  74          2HD2      LEU  74  -6.924  -8.289  -5.058
  539   3HD2  LEU  74          1HD2      LEU  74  -8.596  -7.881  -5.445
  540    H    ASN  75           HN       ASN  75  -8.592  -6.658  -1.360
  541    HA   ASN  75           HA       ASN  75  -9.730  -3.993  -1.110
  542   1HB   ASN  75          2HB       ASN  75 -11.775  -5.111  -0.368
  543   2HB   ASN  75          1HB       ASN  75 -11.120  -5.934  -1.781
  544   1HD2  ASN  75          2HD2      ASN  75 -10.959  -7.839   1.863
  545   2HD2  ASN  75          1HD2      ASN  75 -11.094  -6.149   1.824
  546    H    ALA  76           HN       ALA  76  -8.165  -6.219   1.078
  547    HA   ALA  76           HA       ALA  76  -9.174  -5.166   3.545
  548   1HB   ALA  76          1HB       ALA  76  -7.571  -7.244   2.943
  549   2HB   ALA  76          3HB       ALA  76  -6.339  -6.075   3.420
  550   3HB   ALA  76          2HB       ALA  76  -7.615  -6.523   4.552
  551    H    LEU  77           HN       LEU  77  -6.070  -4.481   1.877
  552    HA   LEU  77           HA       LEU  77  -5.355  -2.288   3.562
  553   1HB   LEU  77          2HB       LEU  77  -4.569  -2.692   0.665
  554   2HB   LEU  77          1HB       LEU  77  -3.696  -1.758   1.878
  555    HG   LEU  77           HG       LEU  77  -4.135  -4.407   2.918
  556   1HD1  LEU  77          2HD1      LEU  77  -4.215  -4.708   0.280
  557   2HD1  LEU  77          1HD1      LEU  77  -2.464  -4.576   0.444
  558   3HD1  LEU  77          3HD1      LEU  77  -3.336  -5.847   1.301
  559   1HD2  LEU  77          3HD2      LEU  77  -2.320  -2.828   3.542
  560   2HD2  LEU  77          2HD2      LEU  77  -1.686  -4.402   3.059
  561   3HD2  LEU  77          1HD2      LEU  77  -1.607  -3.039   1.942
  562    H    GLU  78           HN       GLU  78  -7.449  -2.511   0.749
  563    HA   GLU  78           HA       GLU  78  -7.531   0.254   0.041
  564   1HB   GLU  78          2HB       GLU  78  -8.493  -1.504  -1.386
  565   2HB   GLU  78          1HB       GLU  78  -9.705  -1.857  -0.159
  566   1HG   GLU  78          2HG       GLU  78 -10.850   0.158  -0.523
  567   2HG   GLU  78          1HG       GLU  78  -9.449   0.933  -1.262
  568    H    GLU  79           HN       GLU  79  -9.796  -1.584   2.140
  569    HA   GLU  79           HA       GLU  79 -11.315   0.661   2.984
  570   1HB   GLU  79          2HB       GLU  79 -11.977  -0.778   4.912
  571   2HB   GLU  79          1HB       GLU  79 -12.100  -1.613   3.363
  572   1HG   GLU  79          2HG       GLU  79 -10.167  -2.893   3.756
  573   2HG   GLU  79          1HG       GLU  79  -9.582  -1.794   5.005
  574    H    THR  80           HN       THR  80  -8.175  -0.495   4.019
  575    HA   THR  80           HA       THR  80  -8.106   0.982   6.516
  576    HB   THR  80           HB       THR  80  -5.729   0.133   4.841
  577    HG1  THR  80           HG1      THR  80  -5.891  -1.834   5.878
  578   1HG2  THR  80          3HG2      THR  80  -6.201   0.764   7.754
  579   2HG2  THR  80          2HG2      THR  80  -4.802  -0.170   7.221
  580   3HG2  THR  80          1HG2      THR  80  -5.024   1.486   6.655
  581    H    MET  81           HN       MET  81  -7.226   1.651   3.173
  582    HA   MET  81           HA       MET  81  -5.896   4.166   3.697
  583   1HB   MET  81          2HB       MET  81  -7.057   2.850   1.243
  584   2HB   MET  81          1HB       MET  81  -6.431   4.495   1.177
  585   1HG   MET  81          2HG       MET  81  -4.588   2.688   2.557
  586   2HG   MET  81          1HG       MET  81  -4.938   2.137   0.921
  587   1HE   MET  81          2HE       MET  81  -2.767   2.346  -0.070
  588   2HE   MET  81          1HE       MET  81  -3.937   3.078  -1.166
  589   3HE   MET  81          3HE       MET  81  -2.352   3.828  -0.926
  590    H    LYS  82           HN       LYS  82  -9.223   3.176   3.207
  591    HA   LYS  82           HA       LYS  82 -10.183   5.928   2.832
  592   1HB   LYS  82          2HB       LYS  82 -11.512   3.227   3.045
  593   2HB   LYS  82          1HB       LYS  82 -12.456   4.719   3.057
  594   1HG   LYS  82          2HG       LYS  82 -11.587   5.362   0.892
  595   2HG   LYS  82          1HG       LYS  82 -10.450   4.014   0.897
  596   1HD   LYS  82          2HD       LYS  82 -12.103   3.007  -0.331
  597   2HD   LYS  82          1HD       LYS  82 -12.751   2.649   1.270
  598   1HE   LYS  82          2HE       LYS  82 -13.866   5.029   1.012
  599   2HE   LYS  82          1HE       LYS  82 -13.630   4.722  -0.708
  600   1HZ   LYS  82          1HZ       LYS  82 -14.864   2.689   1.038
  601   2HZ   LYS  82          3HZ       LYS  82 -15.796   3.945   0.378
  602   3HZ   LYS  82          2HZ       LYS  82 -14.983   2.861  -0.648
  603    H    SER  83           HN       SER  83  -9.686   3.704   5.476
  604    HA   SER  83           HA       SER  83 -11.555   4.855   7.331
  605   1HB   SER  83          2HB       SER  83 -10.397   3.599   9.013
  606   2HB   SER  83          1HB       SER  83 -10.371   2.615   7.553
  607    HG   SER  83           HG       SER  83  -8.287   2.666   7.750
  608    H    GLU  84           HN       GLU  84  -8.037   5.359   6.893
  609    HA   GLU  84           HA       GLU  84  -8.177   7.729   8.668
  610   1HB   GLU  84          2HB       GLU  84  -5.813   6.428   7.276
  611   2HB   GLU  84          1HB       GLU  84  -5.715   7.745   8.445
  612   1HG   GLU  84          2HG       GLU  84  -6.845   6.276  10.126
  613   2HG   GLU  84          1HG       GLU  84  -6.774   4.952   8.962
  614    H    GLY  85           HN       GLY  85  -7.361   6.881   5.310
  615   1HA   GLY  85          2HA       GLY  85  -8.134   8.420   3.521
  616   2HA   GLY  85          1HA       GLY  85  -7.750   9.761   4.601
  617    H    LEU  86           HN       LEU  86  -5.825   6.858   3.864
  618    HA   LEU  86           HA       LEU  86  -3.457   8.527   3.423
  619   1HB   LEU  86          2HB       LEU  86  -3.919   5.538   3.268
  620   2HB   LEU  86          1HB       LEU  86  -2.351   6.301   3.007
  621    HG   LEU  86           HG       LEU  86  -4.013   6.620   5.522
  622   1HD1  LEU  86          2HD1      LEU  86  -2.916   4.309   4.914
  623   2HD1  LEU  86          1HD1      LEU  86  -1.416   5.125   5.355
  624   3HD1  LEU  86          3HD1      LEU  86  -2.715   4.970   6.537
  625   1HD2  LEU  86          3HD2      LEU  86  -1.373   7.673   4.554
  626   2HD2  LEU  86          2HD2      LEU  86  -2.636   8.500   5.465
  627   3HD2  LEU  86          1HD2      LEU  86  -1.578   7.344   6.275
  628    H    GLY  87           HN       GLY  87  -5.778   6.731   1.482
  629   1HA   GLY  87          2HA       GLY  87  -5.076   8.168  -0.915
  630   2HA   GLY  87          1HA       GLY  87  -4.425   6.530  -0.970
  631    H    GLU  88           HN       GLU  88  -6.308   7.202  -2.843
  632    HA   GLU  88           HA       GLU  88  -8.638   5.561  -1.972
  633   1HB   GLU  88          2HB       GLU  88 -10.132   7.093  -3.277
  634   2HB   GLU  88          1HB       GLU  88  -9.410   7.867  -1.865
  635   1HG   GLU  88          2HG       GLU  88  -7.550   8.654  -3.459
  636   2HG   GLU  88          1HG       GLU  88  -8.636   8.187  -4.767
   
  No H/Q in entry =         636
  Start of MODEL    2
    1   1H    ALA   2          3HT       ALA   2  -4.958  -9.894  -9.567
    2   2H    ALA   2          2HT       ALA   2  -6.397 -10.783  -9.740
    3   3H    ALA   2          1HT       ALA   2  -6.263  -9.236 -10.428
    4    HA   ALA   2           HA       ALA   2  -7.492  -8.796  -8.549
    5   1HB   ALA   2          1HB       ALA   2  -6.974 -11.233  -7.745
    6   2HB   ALA   2          3HB       ALA   2  -5.685 -10.463  -6.820
    7   3HB   ALA   2          2HB       ALA   2  -7.364  -9.999  -6.545
    8    H    GLN   3           HN       GLN   3  -6.212  -6.872  -9.270
    9    HA   GLN   3           HA       GLN   3  -4.225  -6.114  -7.170
   10   1HB   GLN   3          2HB       GLN   3  -3.092  -4.729  -8.977
   11   2HB   GLN   3          1HB       GLN   3  -2.909  -6.473  -9.148
   12   1HG   GLN   3          2HG       GLN   3  -4.913  -6.426 -10.702
   13   2HG   GLN   3          1HG       GLN   3  -4.808  -4.666 -10.662
   14   1HE2  GLN   3          2HE2      GLN   3  -2.083  -4.534 -12.900
   15   2HE2  GLN   3          1HE2      GLN   3  -3.205  -3.668 -11.966
   16    H    LYS   4           HN       LYS   4  -4.232  -3.836  -6.641
   17    HA   LYS   4           HA       LYS   4  -6.515  -2.275  -7.754
   18   1HB   LYS   4          2HB       LYS   4  -6.491  -3.482  -5.179
   19   2HB   LYS   4          1HB       LYS   4  -6.273  -1.751  -4.923
   20   1HG   LYS   4          2HG       LYS   4  -8.239  -1.775  -6.841
   21   2HG   LYS   4          1HG       LYS   4  -8.630  -3.225  -5.918
   22   1HD   LYS   4          2HD       LYS   4  -8.446  -1.809  -3.818
   23   2HD   LYS   4          1HD       LYS   4  -8.353  -0.397  -4.870
   24   1HE   LYS   4          2HE       LYS   4 -10.552  -1.879  -5.823
   25   2HE   LYS   4          1HE       LYS   4 -10.686  -1.923  -4.066
   26   1HZ   LYS   4          1HZ       LYS   4 -10.121   0.604  -4.323
   27   2HZ   LYS   4          3HZ       LYS   4 -10.755   0.377  -5.882
   28   3HZ   LYS   4          2HZ       LYS   4 -11.714   0.043  -4.519
   29    H    THR   5           HN       THR   5  -5.903  -0.228  -8.234
   30    HA   THR   5           HA       THR   5  -3.254   0.706  -7.252
   31    HB   THR   5           HB       THR   5  -5.005   1.864  -9.442
   32    HG1  THR   5           HG1      THR   5  -3.801   0.678 -10.823
   33   1HG2  THR   5          2HG2      THR   5  -3.203   3.287  -8.245
   34   2HG2  THR   5          1HG2      THR   5  -2.039   2.238  -9.054
   35   3HG2  THR   5          3HG2      THR   5  -3.155   3.215 -10.007
   36    H    PHE   6           HN       PHE   6  -3.079   2.487  -5.934
   37    HA   PHE   6           HA       PHE   6  -5.621   3.901  -5.229
   38   1HB   PHE   6          2HB       PHE   6  -3.225   3.341  -3.456
   39   2HB   PHE   6          1HB       PHE   6  -4.688   4.197  -2.970
   40    HD1  PHE   6          1HD       PHE   6  -3.335   0.920  -4.064
   41    HD2  PHE   6          2HD       PHE   6  -6.714   3.027  -2.460
   42    HE1  PHE   6          1HE       PHE   6  -4.431  -1.242  -3.543
   43    HE2  PHE   6          2HE       PHE   6  -7.813   0.861  -1.936
   44    HZ   PHE   6           HZ       PHE   6  -6.670  -1.272  -2.480
   45    H    LYS   7           HN       LYS   7  -5.034   6.113  -4.143
   46    HA   LYS   7           HA       LYS   7  -2.873   7.405  -5.769
   47   1HB   LYS   7          2HB       LYS   7  -5.504   7.931  -6.065
   48   2HB   LYS   7          1HB       LYS   7  -5.138   9.050  -4.752
   49   1HG   LYS   7          2HG       LYS   7  -3.181   9.001  -6.984
   50   2HG   LYS   7          1HG       LYS   7  -4.769   9.662  -7.371
   51   1HD   LYS   7          2HD       LYS   7  -4.336  10.886  -4.995
   52   2HD   LYS   7          1HD       LYS   7  -2.673  10.721  -5.553
   53   1HE   LYS   7          2HE       LYS   7  -4.415  11.613  -7.709
   54   2HE   LYS   7          1HE       LYS   7  -4.497  12.703  -6.325
   55   1HZ   LYS   7          1HZ       LYS   7  -2.027  12.695  -6.322
   56   2HZ   LYS   7          3HZ       LYS   7  -2.066  11.839  -7.787
   57   3HZ   LYS   7          2HZ       LYS   7  -2.718  13.407  -7.701
   58    H    VAL   8           HN       VAL   8  -1.327   8.435  -4.587
   59    HA   VAL   8           HA       VAL   8  -1.643   8.536  -1.652
   60    HB   VAL   8           HB       VAL   8   0.752   9.341  -3.328
   61   1HG1  VAL   8          2HG1      VAL   8   0.597  10.107  -0.919
   62   2HG1  VAL   8          1HG1      VAL   8   0.587   8.406  -0.452
   63   3HG1  VAL   8          3HG1      VAL   8   1.990   9.086  -1.277
   64   1HG2  VAL   8          3HG2      VAL   8  -0.193   6.668  -2.311
   65   2HG2  VAL   8          2HG2      VAL   8   0.466   7.078  -3.894
   66   3HG2  VAL   8          1HG2      VAL   8   1.531   6.989  -2.491
   67    H    THR   9           HN       THR   9  -2.607  10.325  -0.827
   68    HA   THR   9           HA       THR   9  -1.768  12.981  -1.887
   69    HB   THR   9           HB       THR   9  -4.608  12.626  -1.030
   70    HG1  THR   9           HG1      THR   9  -4.345  10.953  -2.488
   71   1HG2  THR   9          2HG2      THR   9  -3.034  14.374  -2.910
   72   2HG2  THR   9          1HG2      THR   9  -4.790  14.274  -3.026
   73   3HG2  THR   9          3HG2      THR   9  -4.036  14.850  -1.540
   74    H    ALA  10           HN       ALA  10  -1.427  11.166   0.672
   75    HA   ALA  10           HA       ALA  10  -2.601  12.784   2.784
   76   1HB   ALA  10          2HB       ALA  10  -2.096  10.340   3.032
   77   2HB   ALA  10          1HB       ALA  10  -0.377  10.732   2.969
   78   3HB   ALA  10          3HB       ALA  10  -1.371  11.330   4.298
   79    H    ASP  11           HN       ASP  11  -1.447  14.214   4.179
   80    HA   ASP  11           HA       ASP  11   0.534  15.856   2.939
   81   1HB   ASP  11          2HB       ASP  11  -1.052  16.415   4.904
   82   2HB   ASP  11          1HB       ASP  11   0.166  15.653   5.928
   83    H    SER  12           HN       SER  12   0.847  13.429   5.548
   84    HA   SER  12           HA       SER  12   3.723  13.625   5.688
   85   1HB   SER  12          2HB       SER  12   3.362  11.240   6.759
   86   2HB   SER  12          1HB       SER  12   2.819  12.680   7.615
   87    HG   SER  12           HG       SER  12   0.968  11.664   7.574
   88    H    GLY  13           HN       GLY  13   1.494  11.774   3.709
   89   1HA   GLY  13          2HA       GLY  13   2.047  10.744   1.624
   90   2HA   GLY  13          1HA       GLY  13   3.757  10.880   2.039
   91    H    ILE  14           HN       ILE  14   4.114   8.641   1.531
   92    HA   ILE  14           HA       ILE  14   2.868   6.731   3.467
   93    HB   ILE  14           HB       ILE  14   4.134   6.105   0.782
   94   1HG1  ILE  14          2HG1      ILE  14   1.199   6.203   1.548
   95   2HG1  ILE  14          1HG1      ILE  14   2.026   7.458   0.625
   96   1HG2  ILE  14          2HG2      ILE  14   3.964   4.381   2.765
   97   2HG2  ILE  14          1HG2      ILE  14   2.258   4.333   2.320
   98   3HG2  ILE  14          3HG2      ILE  14   3.490   3.890   1.138
   99   1HD1  ILE  14          1HD1      ILE  14   1.894   4.548  -0.213
  100   2HD1  ILE  14          3HD1      ILE  14   0.808   5.800  -0.816
  101   3HD1  ILE  14          2HD1      ILE  14   2.537   5.892  -1.157
  102   1HN   HIP  15           HN       HIP  15   4.569   7.481   4.994
  103    HA   HIP  15           HA       HIP  15   7.278   6.485   4.323
  104   1HB   HIP  15          1HB       HIP  15   7.040   8.839   5.161
  105   2HB   HIP  15          2HB       HIP  15   8.118   7.845   6.118
  106    HD2  HIP  15          2HD       HIP  15   4.213   8.535   6.503
  107    HE2  HIP  15          2HE       HIP  15   3.859   9.015   9.029
  108    HE1  HIP  15          1HE       HIP  15   6.066   8.917  10.261
  109    H    ALA  16           HN       ALA  16   7.810   6.236   7.347
  110    HA   ALA  16           HA       ALA  16   7.353   3.416   7.487
  111   1HB   ALA  16          2HB       ALA  16   9.047   5.096   8.737
  112   2HB   ALA  16          1HB       ALA  16   7.854   4.876  10.017
  113   3HB   ALA  16          3HB       ALA  16   8.683   3.477   9.334
  114    H    ARG  17           HN       ARG  17   5.667   6.118   9.159
  115    HA   ARG  17           HA       ARG  17   4.080   4.559  10.883
  116   1HB   ARG  17          2HB       ARG  17   4.212   7.247  10.239
  117   2HB   ARG  17          1HB       ARG  17   2.583   6.804   9.740
  118   1HG   ARG  17          2HG       ARG  17   2.097   7.174  11.940
  119   2HG   ARG  17          1HG       ARG  17   2.706   5.529  12.131
  120   1HD   ARG  17          2HD       ARG  17   3.842   6.892  13.758
  121   2HD   ARG  17          1HD       ARG  17   5.008   6.528  12.485
  122    HE   ARG  17           HE       ARG  17   4.054   8.899  11.608
  123   1HH1  ARG  17          HH21      ARG  17   3.039  10.248  13.719
  124   2HH1  ARG  17          HH22      ARG  17   4.359  10.741  14.725
  125   1HH2  ARG  17          HH11      ARG  17   6.599   8.481  13.350
  126   2HH2  ARG  17          HH12      ARG  17   6.375   9.741  14.516
  127    HA   PRO  18           HA       PRO  18   0.674   4.119   7.573
  128   1HB   PRO  18          2HB       PRO  18   1.293   4.752   4.964
  129   2HB   PRO  18          1HB       PRO  18   0.534   5.879   6.103
  130   1HG   PRO  18          2HG       PRO  18   3.366   5.782   5.155
  131   2HG   PRO  18          1HG       PRO  18   2.401   7.176   5.672
  132   1HD   PRO  18          2HD       PRO  18   4.341   5.905   7.235
  133   2HD   PRO  18          1HD       PRO  18   3.061   6.958   7.862
  134    H    ALA  19           HN       ALA  19   4.020   3.440   6.811
  135    HA   ALA  19           HA       ALA  19   3.495   1.139   5.115
  136   1HB   ALA  19          3HB       ALA  19   5.652   2.440   5.125
  137   2HB   ALA  19          2HB       ALA  19   5.993   1.762   6.717
  138   3HB   ALA  19          1HB       ALA  19   5.868   0.701   5.314
  139    H    THR  20           HN       THR  20   3.575   1.727   8.551
  140    HA   THR  20           HA       THR  20   3.926  -1.094   9.267
  141    HB   THR  20           HB       THR  20   2.838   0.916  11.195
  142    HG1  THR  20           HG1      THR  20   4.518   2.152  11.057
  143   1HG2  THR  20          1HG2      THR  20   3.680  -1.620  11.475
  144   2HG2  THR  20          3HG2      THR  20   5.222  -0.794  11.694
  145   3HG2  THR  20          2HG2      THR  20   3.863  -0.420  12.755
  146    H    VAL  21           HN       VAL  21   1.306   1.185   8.742
  147    HA   VAL  21           HA       VAL  21  -0.769  -0.458   9.945
  148    HB   VAL  21           HB       VAL  21  -1.082   1.661   7.826
  149   1HG1  VAL  21          1HG1      VAL  21  -2.984   0.025   8.626
  150   2HG1  VAL  21          3HG1      VAL  21  -3.014   1.072  10.046
  151   3HG1  VAL  21          2HG1      VAL  21  -3.328   1.745   8.446
  152   1HG2  VAL  21          3HG2      VAL  21  -0.791   1.889  10.832
  153   2HG2  VAL  21          2HG2      VAL  21   0.168   2.699   9.591
  154   3HG2  VAL  21          1HG2      VAL  21  -1.514   3.163   9.849
  155    H    LEU  22           HN       LEU  22   0.483   0.052   6.695
  156    HA   LEU  22           HA       LEU  22  -1.433  -1.660   5.381
  157   1HB   LEU  22          2HB       LEU  22   1.280  -0.619   4.532
  158   2HB   LEU  22          1HB       LEU  22   0.147  -1.445   3.458
  159    HG   LEU  22           HG       LEU  22  -0.484   1.087   5.009
  160   1HD1  LEU  22          3HD1      LEU  22   0.514   0.575   2.209
  161   2HD1  LEU  22          2HD1      LEU  22  -0.501   1.980   2.546
  162   3HD1  LEU  22          1HD1      LEU  22   1.048   1.793   3.369
  163   1HD2  LEU  22          2HD2      LEU  22  -1.980  -0.623   3.015
  164   2HD2  LEU  22          1HD2      LEU  22  -2.528  -0.029   4.583
  165   3HD2  LEU  22          3HD2      LEU  22  -2.374   1.085   3.223
  166    H    VAL  23           HN       VAL  23   1.950  -2.122   6.463
  167    HA   VAL  23           HA       VAL  23   2.241  -4.771   5.441
  168    HB   VAL  23           HB       VAL  23   4.150  -3.405   6.245
  169   1HG1  VAL  23          1HG1      VAL  23   2.897  -2.484   8.235
  170   2HG1  VAL  23          3HG1      VAL  23   3.147  -4.036   9.033
  171   3HG1  VAL  23          2HG1      VAL  23   4.532  -3.035   8.593
  172   1HG2  VAL  23          3HG2      VAL  23   3.894  -6.095   6.394
  173   2HG2  VAL  23          2HG2      VAL  23   5.375  -5.249   6.847
  174   3HG2  VAL  23          1HG2      VAL  23   4.224  -5.738   8.090
  175    H    GLN  24           HN       GLN  24   0.693  -3.540   8.340
  176    HA   GLN  24           HA       GLN  24   0.495  -6.044   9.749
  177   1HB   GLN  24          2HB       GLN  24  -0.972  -3.416   9.890
  178   2HB   GLN  24          1HB       GLN  24  -1.526  -4.798  10.834
  179   1HG   GLN  24          2HG       GLN  24   1.319  -4.589  11.144
  180   2HG   GLN  24          1HG       GLN  24   0.616  -2.998  11.430
  181   1HE2  GLN  24          2HE2      GLN  24  -1.559  -4.446  14.090
  182   2HE2  GLN  24          1HE2      GLN  24  -1.819  -3.603  12.639
  183    H    THR  25           HN       THR  25  -1.742  -4.325   7.556
  184    HA   THR  25           HA       THR  25  -3.852  -6.260   7.700
  185    HB   THR  25           HB       THR  25  -3.239  -4.596   5.255
  186    HG1  THR  25           HG1      THR  25  -4.401  -2.939   6.362
  187   1HG2  THR  25          2HG2      THR  25  -5.135  -6.201   5.197
  188   2HG2  THR  25          1HG2      THR  25  -5.829  -5.401   6.607
  189   3HG2  THR  25          3HG2      THR  25  -5.677  -4.526   5.083
  190    H    ALA  26           HN       ALA  26  -1.503  -5.737   5.051
  191    HA   ALA  26           HA       ALA  26  -2.086  -8.101   3.619
  192   1HB   ALA  26          2HB       ALA  26  -0.666  -6.120   2.873
  193   2HB   ALA  26          1HB       ALA  26   0.657  -6.844   3.788
  194   3HB   ALA  26          3HB       ALA  26  -0.055  -7.713   2.428
  195    H    SER  27           HN       SER  27  -0.308  -7.702   6.589
  196    HA   SER  27           HA       SER  27   1.386  -9.991   6.469
  197   1HB   SER  27          2HB       SER  27   1.634  -8.350   8.253
  198   2HB   SER  27          1HB       SER  27   0.015  -8.702   8.848
  199    HG   SER  27           HG       SER  27   2.318  -9.934   9.403
  200    H    LYS  28           HN       LYS  28  -2.005  -9.642   7.471
  201    HA   LYS  28           HA       LYS  28  -2.352 -12.361   8.339
  202   1HB   LYS  28          2HB       LYS  28  -4.156 -10.094   7.599
  203   2HB   LYS  28          1HB       LYS  28  -4.850 -11.715   7.650
  204   1HG   LYS  28          2HG       LYS  28  -5.146 -10.954   9.853
  205   2HG   LYS  28          1HG       LYS  28  -3.660 -11.899   9.961
  206   1HD   LYS  28          2HD       LYS  28  -2.354  -9.790   9.626
  207   2HD   LYS  28          1HD       LYS  28  -3.868  -8.887   9.684
  208   1HE   LYS  28          2HE       LYS  28  -4.276  -9.524  11.948
  209   2HE   LYS  28          1HE       LYS  28  -3.016 -10.757  11.902
  210   1HZ   LYS  28          1HZ       LYS  28  -1.449  -8.838  11.426
  211   2HZ   LYS  28          3HZ       LYS  28  -2.707  -7.818  11.930
  212   3HZ   LYS  28          2HZ       LYS  28  -2.058  -8.960  13.008
  213    H    TYR  29           HN       TYR  29  -2.542 -10.768   5.205
  214    HA   TYR  29           HA       TYR  29  -3.570 -13.222   3.912
  215   1HB   TYR  29          2HB       TYR  29  -2.739 -10.587   2.653
  216   2HB   TYR  29          1HB       TYR  29  -3.657 -11.881   1.880
  217    HD1  TYR  29          2HD       TYR  29  -5.943 -12.484   2.768
  218    HD2  TYR  29          1HD       TYR  29  -3.812  -8.985   4.058
  219    HE1  TYR  29          2HE       TYR  29  -8.050 -11.527   3.658
  220    HE2  TYR  29          1HE       TYR  29  -5.919  -8.030   4.947
  221    HH   TYR  29           HH       TYR  29  -8.338  -9.381   5.791
  222    H    ASP  30           HN       ASP  30  -2.255 -14.685   2.932
  223    HA   ASP  30           HA       ASP  30   0.657 -14.121   2.887
  224   1HB   ASP  30          2HB       ASP  30  -0.934 -16.673   2.510
  225   2HB   ASP  30          1HB       ASP  30   0.822 -16.582   2.383
  226    H    ALA  31           HN       ALA  31  -1.607 -13.288   0.819
  227    HA   ALA  31           HA       ALA  31  -0.880 -14.596  -1.646
  228   1HB   ALA  31          3HB       ALA  31  -2.945 -13.026  -0.960
  229   2HB   ALA  31          2HB       ALA  31  -1.905 -11.792  -1.672
  230   3HB   ALA  31          1HB       ALA  31  -2.411 -13.180  -2.633
  231    H    ASP  32           HN       ASP  32  -0.054 -13.016  -3.505
  232    HA   ASP  32           HA       ASP  32   2.536 -11.924  -2.537
  233   1HB   ASP  32          2HB       ASP  32   1.550 -12.634  -5.319
  234   2HB   ASP  32          1HB       ASP  32   3.136 -11.940  -4.976
  235    H    VAL  33           HN       VAL  33   1.379 -10.009  -1.666
  236    HA   VAL  33           HA       VAL  33   0.209  -8.163  -3.656
  237    HB   VAL  33           HB       VAL  33  -0.137  -6.690  -1.642
  238   1HG1  VAL  33          2HG1      VAL  33  -1.287  -9.365  -2.111
  239   2HG1  VAL  33          1HG1      VAL  33  -1.550  -8.749  -0.478
  240   3HG1  VAL  33          3HG1      VAL  33  -2.096  -7.816  -1.871
  241   1HG2  VAL  33          3HG2      VAL  33   1.838  -8.299  -0.521
  242   2HG2  VAL  33          2HG2      VAL  33   0.814  -7.168   0.360
  243   3HG2  VAL  33          1HG2      VAL  33   0.364  -8.869   0.258
  244    H    ASN  34           HN       ASN  34   2.119  -7.769  -4.898
  245    HA   ASN  34           HA       ASN  34   4.406  -6.472  -3.552
  246   1HB   ASN  34          2HB       ASN  34   3.963  -7.037  -6.499
  247   2HB   ASN  34          1HB       ASN  34   5.485  -6.580  -5.732
  248   1HD2  ASN  34          2HD2      ASN  34   6.272  -9.943  -5.100
  249   2HD2  ASN  34          1HD2      ASN  34   6.807  -8.383  -5.501
  250    H    LEU  35           HN       LEU  35   4.499  -4.317  -3.328
  251    HA   LEU  35           HA       LEU  35   2.605  -2.600  -4.812
  252   1HB   LEU  35          2HB       LEU  35   2.737  -2.175  -2.434
  253   2HB   LEU  35          1HB       LEU  35   4.494  -2.097  -2.489
  254    HG   LEU  35           HG       LEU  35   4.323  -0.062  -3.930
  255   1HD1  LEU  35          1HD1      LEU  35   1.869  -0.803  -4.596
  256   2HD1  LEU  35          3HD1      LEU  35   1.428   0.158  -3.187
  257   3HD1  LEU  35          2HD1      LEU  35   2.299   0.902  -4.527
  258   1HD2  LEU  35          2HD2      LEU  35   4.270  -0.171  -1.285
  259   2HD2  LEU  35          1HD2      LEU  35   4.038   1.365  -2.118
  260   3HD2  LEU  35          3HD2      LEU  35   2.645   0.477  -1.505
  261    H    GLU  36           HN       GLU  36   3.254  -1.276  -6.472
  262    HA   GLU  36           HA       GLU  36   6.188  -1.118  -7.037
  263   1HB   GLU  36          2HB       GLU  36   4.876  -2.495  -8.676
  264   2HB   GLU  36          1HB       GLU  36   3.930  -1.055  -9.060
  265   1HG   GLU  36          2HG       GLU  36   6.314   0.031  -9.420
  266   2HG   GLU  36          1HG       GLU  36   6.808  -1.646  -9.657
  267    H    TYR  37           HN       TYR  37   7.008   0.920  -7.120
  268    HA   TYR  37           HA       TYR  37   5.061   3.180  -7.308
  269   1HB   TYR  37          2HB       TYR  37   6.173   3.008  -5.097
  270   2HB   TYR  37          1HB       TYR  37   7.743   3.119  -5.886
  271    HD1  TYR  37          1HD       TYR  37   4.583   5.003  -6.639
  272    HD2  TYR  37          2HD       TYR  37   8.622   5.186  -5.179
  273    HE1  TYR  37          1HE       TYR  37   4.453   7.477  -6.585
  274    HE2  TYR  37          2HE       TYR  37   8.489   7.661  -5.128
  275    HH   TYR  37           HH       TYR  37   6.683   9.438  -6.676
  276    H    ASN  38           HN       ASN  38   5.410   2.847  -9.692
  277    HA   ASN  38           HA       ASN  38   6.422   3.409 -11.736
  278   1HB   ASN  38          2HB       ASN  38   5.923   5.637 -10.534
  279   2HB   ASN  38          1HB       ASN  38   7.658   5.705 -10.225
  280   1HD2  ASN  38          2HD2      ASN  38   6.267   6.218 -14.045
  281   2HD2  ASN  38          1HD2      ASN  38   5.233   5.607 -12.846
  282    H    GLY  39           HN       GLY  39   7.932   1.596 -11.775
  283   1HA   GLY  39          2HA       GLY  39  10.159   1.056 -12.470
  284   2HA   GLY  39          1HA       GLY  39  10.729   2.518 -11.675
  285    H    LYS  40           HN       LYS  40   9.463   2.043  -9.117
  286    HA   LYS  40           HA       LYS  40  11.366   0.030  -8.091
  287   1HB   LYS  40          2HB       LYS  40   9.678   2.193  -6.874
  288   2HB   LYS  40          1HB       LYS  40  10.261   0.879  -5.851
  289   1HG   LYS  40          2HG       LYS  40  12.042   2.565  -7.634
  290   2HG   LYS  40          1HG       LYS  40  11.817   2.845  -5.907
  291   1HD   LYS  40          2HD       LYS  40  12.424   0.229  -5.819
  292   2HD   LYS  40          1HD       LYS  40  13.288   0.658  -7.296
  293   1HE   LYS  40          2HE       LYS  40  14.781   2.016  -6.196
  294   2HE   LYS  40          1HE       LYS  40  13.602   2.495  -4.973
  295   1HZ   LYS  40          2HZ       LYS  40  13.768   0.112  -4.171
  296   2HZ   LYS  40          1HZ       LYS  40  15.166  -0.009  -5.130
  297   3HZ   LYS  40          3HZ       LYS  40  15.103   1.117  -3.863
  298    H    THR  41           HN       THR  41  10.593  -1.602  -6.500
  299    HA   THR  41           HA       THR  41   7.730  -2.306  -6.657
  300    HB   THR  41           HB       THR  41   9.869  -4.268  -7.535
  301    HG1  THR  41           HG1      THR  41   9.607  -2.806  -9.159
  302   1HG2  THR  41          2HG2      THR  41   7.429  -4.798  -6.432
  303   2HG2  THR  41          1HG2      THR  41   7.010  -4.700  -8.142
  304   3HG2  THR  41          3HG2      THR  41   8.231  -5.849  -7.599
  305    H    VAL  42           HN       VAL  42   8.136  -1.684  -4.351
  306    HA   VAL  42           HA       VAL  42   9.664  -3.686  -2.780
  307    HB   VAL  42           HB       VAL  42   8.896  -2.234  -0.810
  308   1HG1  VAL  42          2HG1      VAL  42  10.861  -1.636  -2.921
  309   2HG1  VAL  42          1HG1      VAL  42  10.446  -0.253  -1.908
  310   3HG1  VAL  42          3HG1      VAL  42  11.070  -1.729  -1.172
  311   1HG2  VAL  42          3HG2      VAL  42   7.035  -1.164  -2.202
  312   2HG2  VAL  42          2HG2      VAL  42   8.025  -0.053  -1.255
  313   3HG2  VAL  42          1HG2      VAL  42   8.299  -0.221  -2.989
  314    H    ASN  43           HN       ASN  43   8.669  -5.077  -1.303
  315    HA   ASN  43           HA       ASN  43   5.961  -5.884  -1.946
  316   1HB   ASN  43          2HB       ASN  43   7.946  -7.318  -1.038
  317   2HB   ASN  43          1HB       ASN  43   7.429  -6.736   0.545
  318   1HD2  ASN  43          2HD2      ASN  43   4.887  -9.189  -1.569
  319   2HD2  ASN  43          1HD2      ASN  43   6.032  -8.265  -2.414
  320    H    LEU  44           HN       LEU  44   4.074  -5.508  -0.763
  321    HA   LEU  44           HA       LEU  44   3.796  -3.121   0.724
  322   1HB   LEU  44          2HB       LEU  44   1.995  -4.651  -0.367
  323   2HB   LEU  44          1HB       LEU  44   2.020  -5.530   1.157
  324    HG   LEU  44           HG       LEU  44   0.223  -3.789   1.038
  325   1HD1  LEU  44          3HD1      LEU  44   1.784  -4.480   3.153
  326   2HD1  LEU  44          2HD1      LEU  44   1.994  -2.728   3.151
  327   3HD1  LEU  44          1HD1      LEU  44   0.378  -3.422   3.270
  328   1HD2  LEU  44          3HD2      LEU  44   1.681  -2.157  -0.291
  329   2HD2  LEU  44          2HD2      LEU  44   0.732  -1.454   1.020
  330   3HD2  LEU  44          1HD2      LEU  44   2.455  -1.754   1.241
  331    H    LYS  45           HN       LYS  45   4.783  -6.321   1.736
  332    HA   LYS  45           HA       LYS  45   4.622  -5.611   4.604
  333   1HB   LYS  45          2HB       LYS  45   5.448  -8.119   3.116
  334   2HB   LYS  45          1HB       LYS  45   5.629  -7.948   4.862
  335   1HG   LYS  45          2HG       LYS  45   3.522  -8.868   4.832
  336   2HG   LYS  45          1HG       LYS  45   3.069  -7.174   4.647
  337   1HD   LYS  45          2HD       LYS  45   1.885  -8.272   2.919
  338   2HD   LYS  45          1HD       LYS  45   3.293  -7.593   2.105
  339   1HE   LYS  45          2HE       LYS  45   3.185  -9.829   1.326
  340   2HE   LYS  45          1HE       LYS  45   4.432  -9.859   2.575
  341   1HZ   LYS  45          2HZ       LYS  45   2.471 -10.415   4.124
  342   2HZ   LYS  45          1HZ       LYS  45   1.663 -10.856   2.694
  343   3HZ   LYS  45          3HZ       LYS  45   3.101 -11.642   3.130
  344    H    SER  46           HN       SER  46   6.235  -3.808   3.537
  345    HA   SER  46           HA       SER  46   8.907  -4.548   4.544
  346   1HB   SER  46          2HB       SER  46   8.609  -4.876   1.906
  347   2HB   SER  46          1HB       SER  46   8.865  -3.132   1.902
  348    HG   SER  46           HG       SER  46  10.555  -5.199   2.828
  349    H    ILE  47           HN       ILE  47   8.426  -3.039   6.192
  350    HA   ILE  47           HA       ILE  47   7.481  -0.378   5.703
  351    HB   ILE  47           HB       ILE  47   9.118  -1.366   8.054
  352   1HG1  ILE  47          2HG1      ILE  47   6.132  -1.464   7.477
  353   2HG1  ILE  47          1HG1      ILE  47   7.205  -2.837   7.722
  354   1HG2  ILE  47          3HG2      ILE  47   8.611   1.173   7.568
  355   2HG2  ILE  47          2HG2      ILE  47   6.989   0.758   8.119
  356   3HG2  ILE  47          1HG2      ILE  47   8.369   0.535   9.192
  357   1HD1  ILE  47          2HD1      ILE  47   7.660  -1.503  10.032
  358   2HD1  ILE  47          1HD1      ILE  47   5.993  -1.016   9.727
  359   3HD1  ILE  47          3HD1      ILE  47   6.401  -2.726   9.859
  360    H    MET  48           HN       MET  48  10.721  -1.772   5.941
  361    HA   MET  48           HA       MET  48  12.082   0.794   5.806
  362   1HB   MET  48          2HB       MET  48  12.906  -1.612   6.622
  363   2HB   MET  48          1HB       MET  48  13.438  -1.724   4.943
  364   1HG   MET  48          2HG       MET  48  14.380   0.709   5.434
  365   2HG   MET  48          1HG       MET  48  14.354   0.137   7.101
  366   1HE   MET  48          3HE       MET  48  15.171  -1.774   7.945
  367   2HE   MET  48          2HE       MET  48  15.270  -3.145   6.841
  368   3HE   MET  48          1HE       MET  48  16.742  -2.481   7.546
  369    H    GLY  49           HN       GLY  49  10.793  -1.458   3.461
  370   1HA   GLY  49          2HA       GLY  49  12.361  -0.414   1.227
  371   2HA   GLY  49          1HA       GLY  49  11.006  -1.535   1.106
  372    H    VAL  50           HN       VAL  50   9.230   0.255   2.685
  373    HA   VAL  50           HA       VAL  50   8.151   1.782   0.491
  374    HB   VAL  50           HB       VAL  50   7.532   1.988   3.457
  375   1HG1  VAL  50          3HG1      VAL  50   6.347   3.159   0.980
  376   2HG1  VAL  50          2HG1      VAL  50   5.228   2.602   2.224
  377   3HG1  VAL  50          1HG1      VAL  50   6.434   3.831   2.608
  378   1HG2  VAL  50          2HG2      VAL  50   7.278  -0.257   1.972
  379   2HG2  VAL  50          1HG2      VAL  50   6.131   0.179   3.239
  380   3HG2  VAL  50          3HG2      VAL  50   5.761   0.538   1.553
  381    H    VAL  51           HN       VAL  51   9.961   2.679   3.428
  382    HA   VAL  51           HA       VAL  51   9.927   5.505   2.974
  383    HB   VAL  51           HB       VAL  51  12.084   3.883   4.360
  384   1HG1  VAL  51          2HG1      VAL  51  11.322   6.783   4.247
  385   2HG1  VAL  51          1HG1      VAL  51  12.008   6.138   5.738
  386   3HG1  VAL  51          3HG1      VAL  51  12.926   6.050   4.235
  387   1HG2  VAL  51          3HG2      VAL  51   9.304   4.648   5.126
  388   2HG2  VAL  51          2HG2      VAL  51  10.252   3.238   5.600
  389   3HG2  VAL  51          1HG2      VAL  51  10.547   4.799   6.367
  390    H    SER  52           HN       SER  52  11.911   2.913   1.677
  391    HA   SER  52           HA       SER  52  14.000   4.606   0.613
  392   1HB   SER  52          2HB       SER  52  14.780   2.657  -0.510
  393   2HB   SER  52          1HB       SER  52  14.098   2.074   1.006
  394    HG   SER  52           HG       SER  52  13.449   0.952  -0.992
  395    H    LEU  53           HN       LEU  53  10.811   3.681  -0.493
  396    HA   LEU  53           HA       LEU  53  11.089   4.172  -3.279
  397   1HB   LEU  53          2HB       LEU  53   8.745   4.460  -1.391
  398   2HB   LEU  53          1HB       LEU  53   8.599   4.758  -3.123
  399    HG   LEU  53           HG       LEU  53   9.653   2.183  -1.922
  400   1HD1  LEU  53          2HD1      LEU  53   6.914   3.135  -2.572
  401   2HD1  LEU  53          1HD1      LEU  53   7.320   1.510  -3.125
  402   3HD1  LEU  53          3HD1      LEU  53   7.436   1.913  -1.413
  403   1HD2  LEU  53          2HD2      LEU  53   9.323   3.281  -4.667
  404   2HD2  LEU  53          1HD2      LEU  53  10.497   2.116  -4.056
  405   3HD2  LEU  53          3HD2      LEU  53   8.856   1.596  -4.441
  406    H    GLY  54           HN       GLY  54  10.629   6.387  -0.567
  407   1HA   GLY  54          2HA       GLY  54  11.043   8.711  -0.491
  408   2HA   GLY  54          1HA       GLY  54  11.547   8.634  -2.181
  409    H    ILE  55           HN       ILE  55   8.449   7.547  -0.852
  410    HA   ILE  55           HA       ILE  55   6.986   9.031  -2.885
  411    HB   ILE  55           HB       ILE  55   5.886   7.643  -0.421
  412   1HG1  ILE  55          2HG1      ILE  55   6.151   6.440  -3.182
  413   2HG1  ILE  55          1HG1      ILE  55   7.419   6.251  -1.972
  414   1HG2  ILE  55          2HG2      ILE  55   4.726   8.540  -3.065
  415   2HG2  ILE  55          1HG2      ILE  55   3.927   7.339  -2.050
  416   3HG2  ILE  55          3HG2      ILE  55   4.192   8.973  -1.441
  417   1HD1  ILE  55          1HD1      ILE  55   4.613   5.654  -1.142
  418   2HD1  ILE  55          3HD1      ILE  55   5.430   4.486  -2.181
  419   3HD1  ILE  55          2HD1      ILE  55   6.122   4.908  -0.615
  420    H    ALA  56           HN       ALA  56   5.221  10.595  -2.267
  421    HA   ALA  56           HA       ALA  56   5.674  12.036   0.279
  422   1HB   ALA  56          1HB       ALA  56   7.102  12.880  -1.839
  423   2HB   ALA  56          3HB       ALA  56   5.601  13.749  -2.158
  424   3HB   ALA  56          2HB       ALA  56   6.455  13.996  -0.635
  425    H    LYS  57           HN       LYS  57   4.163  14.321  -0.380
  426    HA   LYS  57           HA       LYS  57   1.458  13.164  -0.388
  427   1HB   LYS  57          2HB       LYS  57   0.761  15.529   0.079
  428   2HB   LYS  57          1HB       LYS  57   1.930  14.901   1.241
  429   1HG   LYS  57          2HG       LYS  57   3.605  16.279   0.513
  430   2HG   LYS  57          1HG       LYS  57   3.052  16.243  -1.160
  431   1HD   LYS  57          2HD       LYS  57   1.019  17.609  -0.287
  432   2HD   LYS  57          1HD       LYS  57   2.032  17.929   1.121
  433   1HE   LYS  57          2HE       LYS  57   3.230  18.335  -1.588
  434   2HE   LYS  57          1HE       LYS  57   2.082  19.537  -1.000
  435   1HZ   LYS  57          3HZ       LYS  57   4.495  18.610   0.462
  436   2HZ   LYS  57          2HZ       LYS  57   4.362  20.079  -0.382
  437   3HZ   LYS  57          1HZ       LYS  57   3.404  19.795   0.992
  438    H    GLY  58           HN       GLY  58   1.921  12.503  -2.762
  439   1HA   GLY  58          2HA       GLY  58   0.266  13.631  -4.585
  440   2HA   GLY  58          1HA       GLY  58   1.680  14.677  -4.729
  441    H    ALA  59           HN       ALA  59   0.972  11.171  -4.552
  442    HA   ALA  59           HA       ALA  59   2.691  10.783  -6.946
  443   1HB   ALA  59          3HB       ALA  59   3.283   9.903  -4.207
  444   2HB   ALA  59          2HB       ALA  59   3.327   8.589  -5.382
  445   3HB   ALA  59          1HB       ALA  59   4.349  10.009  -5.607
  446    H    GLU  60           HN       GLU  60   2.570   8.166  -7.336
  447    HA   GLU  60           HA       GLU  60  -0.287   7.352  -7.007
  448   1HB   GLU  60          2HB       GLU  60   1.369   7.487  -9.525
  449   2HB   GLU  60          1HB       GLU  60   0.036   6.338  -9.387
  450   1HG   GLU  60          2HG       GLU  60  -0.498   9.165  -8.590
  451   2HG   GLU  60          1HG       GLU  60  -0.345   8.819 -10.313
  452    H    ILE  61           HN       ILE  61  -0.493   5.256  -6.334
  453    HA   ILE  61           HA       ILE  61   1.931   3.506  -6.504
  454    HB   ILE  61           HB       ILE  61   1.095   2.472  -4.359
  455   1HG1  ILE  61          2HG1      ILE  61  -0.685   4.932  -4.306
  456   2HG1  ILE  61          1HG1      ILE  61  -1.260   3.291  -4.611
  457   1HG2  ILE  61          3HG2      ILE  61   1.818   5.414  -4.407
  458   2HG2  ILE  61          2HG2      ILE  61   1.808   4.437  -2.938
  459   3HG2  ILE  61          1HG2      ILE  61   2.919   4.046  -4.250
  460   1HD1  ILE  61          1HD1      ILE  61   0.139   2.872  -2.329
  461   2HD1  ILE  61          3HD1      ILE  61  -0.365   4.542  -2.071
  462   3HD1  ILE  61          2HD1      ILE  61  -1.574   3.288  -2.343
  463    H    THR  62           HN       THR  62   1.516   1.252  -6.860
  464    HA   THR  62           HA       THR  62  -1.293   0.521  -7.525
  465    HB   THR  62           HB       THR  62   1.006  -0.164  -9.364
  466    HG1  THR  62           HG1      THR  62   0.922   1.847  -9.922
  467   1HG2  THR  62          2HG2      THR  62  -1.849  -0.764  -9.219
  468   2HG2  THR  62          1HG2      THR  62  -1.404  -0.025 -10.758
  469   3HG2  THR  62          3HG2      THR  62  -0.598  -1.498 -10.222
  470    H    ILE  63           HN       ILE  63  -1.616  -1.125  -6.093
  471    HA   ILE  63           HA       ILE  63   0.574  -3.001  -5.461
  472    HB   ILE  63           HB       ILE  63  -2.258  -2.732  -4.408
  473   1HG1  ILE  63          2HG1      ILE  63  -0.769  -2.103  -2.345
  474   2HG1  ILE  63          1HG1      ILE  63   0.436  -1.732  -3.567
  475   1HG2  ILE  63          1HG2      ILE  63   0.010  -4.590  -3.672
  476   2HG2  ILE  63          3HG2      ILE  63  -1.273  -4.186  -2.529
  477   3HG2  ILE  63          2HG2      ILE  63  -1.666  -5.003  -4.043
  478   1HD1  ILE  63          2HD1      ILE  63  -2.205  -0.668  -4.241
  479   2HD1  ILE  63          1HD1      ILE  63  -1.588  -0.026  -2.719
  480   3HD1  ILE  63          3HD1      ILE  63  -0.645   0.152  -4.199
  481    H    SER  64           HN       SER  64   0.128  -5.336  -5.527
  482    HA   SER  64           HA       SER  64  -2.000  -6.242  -7.367
  483   1HB   SER  64          2HB       SER  64  -0.234  -7.523  -8.708
  484   2HB   SER  64          1HB       SER  64  -0.326  -5.789  -8.998
  485    HG   SER  64           HG       SER  64   1.469  -5.494  -7.756
  486    H    ALA  65           HN       ALA  65  -2.874  -7.730  -5.972
  487    HA   ALA  65           HA       ALA  65  -1.105  -9.450  -4.335
  488   1HB   ALA  65          2HB       ALA  65  -3.214  -8.410  -3.411
  489   2HB   ALA  65          1HB       ALA  65  -4.132  -9.452  -4.496
  490   3HB   ALA  65          3HB       ALA  65  -3.132 -10.161  -3.229
  491    H    SER  66           HN       SER  66  -0.711 -11.590  -4.802
  492    HA   SER  66           HA       SER  66  -2.427 -13.034  -6.717
  493   1HB   SER  66          2HB       SER  66   0.449 -13.201  -7.376
  494   2HB   SER  66          1HB       SER  66  -0.949 -13.235  -8.441
  495    HG   SER  66           HG       SER  66   0.166 -11.300  -8.715
  496    H    GLY  67           HN       GLY  67  -2.843 -14.513  -4.980
  497   1HA   GLY  67          2HA       GLY  67  -1.430 -16.829  -4.743
  498   2HA   GLY  67          1HA       GLY  67  -0.567 -15.782  -3.621
  499    H    ALA  68           HN       ALA  68  -2.684 -18.156  -3.569
  500    HA   ALA  68           HA       ALA  68  -4.325 -18.897  -2.089
  501   1HB   ALA  68          1HB       ALA  68  -2.750 -16.908  -0.484
  502   2HB   ALA  68          3HB       ALA  68  -4.176 -17.671   0.221
  503   3HB   ALA  68          2HB       ALA  68  -2.823 -18.662  -0.323
  504    H    ASP  69           HN       ASP  69  -4.563 -15.624  -0.728
  505    HA   ASP  69           HA       ASP  69  -7.242 -15.398  -2.038
  506   1HB   ASP  69          2HB       ASP  69  -7.939 -14.174   0.069
  507   2HB   ASP  69          1HB       ASP  69  -7.612 -15.891   0.289
  508    H    GLU  70           HN       GLU  70  -5.569 -14.242  -3.563
  509    HA   GLU  70           HA       GLU  70  -4.437 -11.727  -2.913
  510   1HB   GLU  70          2HB       GLU  70  -4.586 -11.261  -5.363
  511   2HB   GLU  70          1HB       GLU  70  -3.884 -12.836  -5.004
  512   1HG   GLU  70          2HG       GLU  70  -6.108 -13.886  -5.389
  513   2HG   GLU  70          1HG       GLU  70  -6.763 -12.305  -5.803
  514    H    ASN  71           HN       ASN  71  -7.734 -12.568  -3.885
  515    HA   ASN  71           HA       ASN  71  -8.639  -9.870  -4.307
  516   1HB   ASN  71          2HB       ASN  71  -9.978 -12.514  -3.825
  517   2HB   ASN  71          1HB       ASN  71 -10.936 -11.032  -3.774
  518   1HD2  ASN  71          2HD2      ASN  71 -10.348 -10.297  -7.281
  519   2HD2  ASN  71          1HD2      ASN  71 -10.488  -9.516  -5.780
  520    H    ASP  72           HN       ASP  72  -8.409 -11.923  -1.451
  521    HA   ASP  72           HA       ASP  72  -9.989 -10.159   0.238
  522   1HB   ASP  72          2HB       ASP  72  -8.023 -12.328   1.022
  523   2HB   ASP  72          1HB       ASP  72  -9.237 -11.594   2.070
  524    H    ALA  73           HN       ALA  73  -6.617 -10.344  -0.684
  525    HA   ALA  73           HA       ALA  73  -5.695  -8.686   1.542
  526   1HB   ALA  73          1HB       ALA  73  -4.364  -9.597  -1.018
  527   2HB   ALA  73          3HB       ALA  73  -3.557  -8.618   0.208
  528   3HB   ALA  73          2HB       ALA  73  -4.118 -10.243   0.605
  529    H    LEU  74           HN       LEU  74  -6.410  -8.141  -1.919
  530    HA   LEU  74           HA       LEU  74  -5.496  -5.422  -1.926
  531   1HB   LEU  74          2HB       LEU  74  -6.687  -5.194  -4.047
  532   2HB   LEU  74          1HB       LEU  74  -5.837  -6.732  -3.996
  533    HG   LEU  74           HG       LEU  74  -8.155  -7.599  -3.035
  534   1HD1  LEU  74          3HD1      LEU  74  -8.797  -4.933  -3.562
  535   2HD1  LEU  74          2HD1      LEU  74  -9.435  -5.794  -4.962
  536   3HD1  LEU  74          1HD1      LEU  74  -9.952  -6.246  -3.338
  537   1HD2  LEU  74          1HD2      LEU  74  -7.562  -6.991  -5.947
  538   2HD2  LEU  74          3HD2      LEU  74  -7.101  -8.445  -5.061
  539   3HD2  LEU  74          2HD2      LEU  74  -8.801  -8.121  -5.399
  540    H    ASN  75           HN       ASN  75  -8.728  -6.824  -1.347
  541    HA   ASN  75           HA       ASN  75  -9.947  -4.203  -1.014
  542   1HB   ASN  75          2HB       ASN  75 -11.940  -5.403  -0.295
  543   2HB   ASN  75          1HB       ASN  75 -11.261  -6.209  -1.705
  544   1HD2  ASN  75          2HD2      ASN  75 -11.978  -8.529   1.336
  545   2HD2  ASN  75          1HD2      ASN  75 -12.859  -7.167   0.832
  546    H    ALA  76           HN       ALA  76  -8.188  -6.383   1.052
  547    HA   ALA  76           HA       ALA  76  -9.185  -5.462   3.583
  548   1HB   ALA  76          3HB       ALA  76  -6.452  -6.568   2.856
  549   2HB   ALA  76          2HB       ALA  76  -7.082  -6.401   4.496
  550   3HB   ALA  76          1HB       ALA  76  -7.846  -7.520   3.368
  551    H    LEU  77           HN       LEU  77  -6.129  -4.618   1.884
  552    HA   LEU  77           HA       LEU  77  -5.605  -2.363   3.608
  553   1HB   LEU  77          2HB       LEU  77  -4.531  -2.812   0.814
  554   2HB   LEU  77          1HB       LEU  77  -3.799  -1.849   2.096
  555    HG   LEU  77           HG       LEU  77  -4.267  -4.481   3.140
  556   1HD1  LEU  77          1HD1      LEU  77  -4.092  -4.761   0.457
  557   2HD1  LEU  77          3HD1      LEU  77  -2.377  -4.769   0.869
  558   3HD1  LEU  77          2HD1      LEU  77  -3.463  -5.956   1.592
  559   1HD2  LEU  77          1HD2      LEU  77  -1.791  -2.908   2.384
  560   2HD2  LEU  77          3HD2      LEU  77  -2.525  -3.053   3.980
  561   3HD2  LEU  77          2HD2      LEU  77  -1.732  -4.446   3.245
  562    H    GLU  78           HN       GLU  78  -7.501  -2.774   0.693
  563    HA   GLU  78           HA       GLU  78  -7.551  -0.057  -0.194
  564   1HB   GLU  78          2HB       GLU  78  -8.377  -1.922  -1.569
  565   2HB   GLU  78          1HB       GLU  78  -9.682  -2.205  -0.423
  566   1HG   GLU  78          2HG       GLU  78  -9.666   0.577  -1.224
  567   2HG   GLU  78          1HG       GLU  78  -9.704  -0.458  -2.650
  568    H    GLU  79           HN       GLU  79 -10.056  -1.784   1.724
  569    HA   GLU  79           HA       GLU  79 -11.552   0.547   2.367
  570   1HB   GLU  79          2HB       GLU  79 -12.522  -0.820   4.204
  571   2HB   GLU  79          1HB       GLU  79 -12.478  -1.698   2.676
  572   1HG   GLU  79          2HG       GLU  79 -10.113  -2.488   3.580
  573   2HG   GLU  79          1HG       GLU  79 -10.835  -2.108   5.144
  574    H    THR  80           HN       THR  80  -8.649  -0.805   3.804
  575    HA   THR  80           HA       THR  80  -8.738   0.670   6.276
  576    HB   THR  80           HB       THR  80  -6.297  -0.281   4.741
  577    HG1  THR  80           HG1      THR  80  -6.578  -2.181   5.777
  578   1HG2  THR  80          1HG2      THR  80  -6.791   0.520   7.614
  579   2HG2  THR  80          3HG2      THR  80  -5.387  -0.427   7.120
  580   3HG2  THR  80          2HG2      THR  80  -5.618   1.202   6.486
  581    H    MET  81           HN       MET  81  -7.552   1.385   3.039
  582    HA   MET  81           HA       MET  81  -6.235   3.868   3.708
  583   1HB   MET  81          2HB       MET  81  -7.115   2.484   1.206
  584   2HB   MET  81          1HB       MET  81  -6.753   4.205   1.110
  585   1HG   MET  81          2HG       MET  81  -4.782   2.549   2.590
  586   2HG   MET  81          1HG       MET  81  -4.866   2.272   0.850
  587   1HE   MET  81          2HE       MET  81  -3.008   2.729   0.178
  588   2HE   MET  81          1HE       MET  81  -2.504   4.314  -0.404
  589   3HE   MET  81          3HE       MET  81  -1.876   3.689   1.127
  590    H    LYS  82           HN       LYS  82  -9.541   2.957   2.976
  591    HA   LYS  82           HA       LYS  82 -10.411   5.732   2.559
  592   1HB   LYS  82          2HB       LYS  82 -11.861   3.080   2.707
  593   2HB   LYS  82          1HB       LYS  82 -12.711   4.619   2.546
  594   1HG   LYS  82          2HG       LYS  82 -11.982   4.956   0.392
  595   2HG   LYS  82          1HG       LYS  82 -10.452   4.124   0.669
  596   1HD   LYS  82          2HD       LYS  82 -11.593   2.611  -0.708
  597   2HD   LYS  82          1HD       LYS  82 -11.948   1.990   0.905
  598   1HE   LYS  82          2HE       LYS  82 -13.793   4.047  -0.237
  599   2HE   LYS  82          1HE       LYS  82 -13.891   2.404  -0.873
  600   1HZ   LYS  82          2HZ       LYS  82 -14.144   1.589   1.394
  601   2HZ   LYS  82          1HZ       LYS  82 -14.087   3.179   1.987
  602   3HZ   LYS  82          3HZ       LYS  82 -15.376   2.692   0.998
  603    H    SER  83           HN       SER  83 -10.104   3.516   5.228
  604    HA   SER  83           HA       SER  83 -12.096   4.715   6.943
  605   1HB   SER  83          2HB       SER  83 -10.879   3.515   8.759
  606   2HB   SER  83          1HB       SER  83 -11.257   2.467   7.395
  607    HG   SER  83           HG       SER  83  -8.879   3.063   8.441
  608    H    GLU  84           HN       GLU  84  -8.529   5.017   6.836
  609    HA   GLU  84           HA       GLU  84  -8.642   7.335   8.649
  610   1HB   GLU  84          2HB       GLU  84  -6.276   6.113   7.196
  611   2HB   GLU  84          1HB       GLU  84  -6.199   7.276   8.519
  612   1HG   GLU  84          2HG       GLU  84  -7.821   4.887   9.124
  613   2HG   GLU  84          1HG       GLU  84  -6.119   4.538   8.828
  614    H    GLY  85           HN       GLY  85  -8.278   6.665   5.222
  615   1HA   GLY  85          2HA       GLY  85  -8.631   8.221   3.455
  616   2HA   GLY  85          1HA       GLY  85  -8.609   9.531   4.636
  617    H    LEU  86           HN       LEU  86  -6.215   6.972   3.981
  618    HA   LEU  86           HA       LEU  86  -4.051   8.944   4.053
  619   1HB   LEU  86          2HB       LEU  86  -4.133   5.954   3.606
  620   2HB   LEU  86          1HB       LEU  86  -2.638   6.889   3.528
  621    HG   LEU  86           HG       LEU  86  -4.515   6.858   5.911
  622   1HD1  LEU  86          3HD1      LEU  86  -1.940   5.367   5.343
  623   2HD1  LEU  86          2HD1      LEU  86  -2.615   5.551   6.962
  624   3HD1  LEU  86          1HD1      LEU  86  -3.517   4.676   5.725
  625   1HD2  LEU  86          1HD2      LEU  86  -2.023   8.314   5.178
  626   2HD2  LEU  86          3HD2      LEU  86  -3.347   8.811   6.232
  627   3HD2  LEU  86          2HD2      LEU  86  -2.112   7.702   6.829
  628    H    GLY  87           HN       GLY  87  -5.506   6.784   1.615
  629   1HA   GLY  87          2HA       GLY  87  -4.951   8.668  -0.518
  630   2HA   GLY  87          1HA       GLY  87  -3.866   7.279  -0.578
  631    H    GLU  88           HN       GLU  88  -6.216   8.187  -2.315
  632    HA   GLU  88           HA       GLU  88  -7.473   5.503  -2.490
  633   1HB   GLU  88          2HB       GLU  88  -9.712   6.590  -2.822
  634   2HB   GLU  88          1HB       GLU  88  -9.077   6.780  -1.188
  635   1HG   GLU  88          2HG       GLU  88  -8.223   9.028  -1.795
  636   2HG   GLU  88          1HG       GLU  88  -8.910   8.840  -3.408
   
  No H/Q in entry =         636
  Start of MODEL    3
    1   1H    ALA   2          1HT       ALA   2  -6.564  -8.376 -10.471
    2   2H    ALA   2          3HT       ALA   2  -5.472  -9.622 -10.106
    3   3H    ALA   2          2HT       ALA   2  -7.135  -9.953 -10.203
    4    HA   ALA   2           HA       ALA   2  -7.618  -8.848  -8.228
    5   1HB   ALA   2          2HB       ALA   2  -5.941 -10.991  -8.250
    6   2HB   ALA   2          1HB       ALA   2  -4.965  -9.834  -7.349
    7   3HB   ALA   2          3HB       ALA   2  -6.574 -10.267  -6.772
    8    H    GLN   3           HN       GLN   3  -4.582  -7.850  -9.658
    9    HA   GLN   3           HA       GLN   3  -3.681  -6.063  -7.630
   10   1HB   GLN   3          2HB       GLN   3  -2.481  -4.901  -9.488
   11   2HB   GLN   3          1HB       GLN   3  -2.242  -6.646  -9.502
   12   1HG   GLN   3          2HG       GLN   3  -4.471  -6.442 -11.055
   13   2HG   GLN   3          1HG       GLN   3  -3.670  -4.919 -11.438
   14   1HE2  GLN   3          2HE2      GLN   3  -2.356  -8.114 -13.315
   15   2HE2  GLN   3          1HE2      GLN   3  -3.925  -7.881 -12.713
   16    H    LYS   4           HN       LYS   4  -3.922  -3.759  -7.479
   17    HA   LYS   4           HA       LYS   4  -6.219  -2.586  -8.973
   18   1HB   LYS   4          2HB       LYS   4  -6.808  -3.527  -6.596
   19   2HB   LYS   4          1HB       LYS   4  -5.967  -2.086  -6.018
   20   1HG   LYS   4          2HG       LYS   4  -7.475  -0.627  -7.152
   21   2HG   LYS   4          1HG       LYS   4  -8.152  -1.950  -8.102
   22   1HD   LYS   4          2HD       LYS   4  -9.102  -2.953  -6.074
   23   2HD   LYS   4          1HD       LYS   4  -8.385  -1.675  -5.091
   24   1HE   LYS   4          2HE       LYS   4 -10.183  -0.951  -7.386
   25   2HE   LYS   4          1HE       LYS   4 -10.888  -1.460  -5.851
   26   1HZ   LYS   4          3HZ       LYS   4  -8.875   0.704  -6.129
   27   2HZ   LYS   4          2HZ       LYS   4 -10.551   0.965  -6.033
   28   3HZ   LYS   4          1HZ       LYS   4  -9.719   0.274  -4.723
   29    H    THR   5           HN       THR   5  -6.273  -0.166  -8.685
   30    HA   THR   5           HA       THR   5  -3.490   0.884  -8.366
   31    HB   THR   5           HB       THR   5  -5.729   2.194  -9.923
   32    HG1  THR   5           HG1      THR   5  -5.436   0.700 -11.343
   33   1HG2  THR   5          1HG2      THR   5  -2.722   2.495  -9.814
   34   2HG2  THR   5          3HG2      THR   5  -3.711   3.206 -11.089
   35   3HG2  THR   5          2HG2      THR   5  -3.939   3.704  -9.412
   36    H    PHE   6           HN       PHE   6  -3.170   2.332  -6.745
   37    HA   PHE   6           HA       PHE   6  -5.587   3.568  -5.483
   38   1HB   PHE   6          2HB       PHE   6  -2.973   2.646  -4.262
   39   2HB   PHE   6          1HB       PHE   6  -4.125   3.669  -3.405
   40    HD1  PHE   6          1HD       PHE   6  -3.627   0.346  -4.975
   41    HD2  PHE   6          2HD       PHE   6  -6.188   2.788  -2.541
   42    HE1  PHE   6          1HE       PHE   6  -4.947  -1.659  -4.354
   43    HE2  PHE   6          2HE       PHE   6  -7.510   0.783  -1.921
   44    HZ   PHE   6           HZ       PHE   6  -6.891  -1.440  -2.827
   45    H    LYS   7           HN       LYS   7  -5.390   5.774  -4.825
   46    HA   LYS   7           HA       LYS   7  -3.216   7.246  -6.242
   47   1HB   LYS   7          2HB       LYS   7  -5.846   7.665  -6.476
   48   2HB   LYS   7          1HB       LYS   7  -5.559   8.656  -5.045
   49   1HG   LYS   7          2HG       LYS   7  -5.248  10.122  -6.897
   50   2HG   LYS   7          1HG       LYS   7  -3.624   9.712  -6.345
   51   1HD   LYS   7          2HD       LYS   7  -3.500   9.424  -8.681
   52   2HD   LYS   7          1HD       LYS   7  -3.744   7.787  -8.074
   53   1HE   LYS   7          2HE       LYS   7  -5.241   8.243  -9.981
   54   2HE   LYS   7          1HE       LYS   7  -6.168   7.984  -8.504
   55   1HZ   LYS   7          3HZ       LYS   7  -5.347  10.708  -9.243
   56   2HZ   LYS   7          2HZ       LYS   7  -6.687  10.005 -10.013
   57   3HZ   LYS   7          1HZ       LYS   7  -6.679  10.201  -8.326
   58    H    VAL   8           HN       VAL   8  -1.691   8.272  -5.061
   59    HA   VAL   8           HA       VAL   8  -1.907   8.215  -2.112
   60    HB   VAL   8           HB       VAL   8   0.412   9.171  -3.814
   61   1HG1  VAL   8          1HG1      VAL   8  -0.029   8.568  -0.906
   62   2HG1  VAL   8          3HG1      VAL   8   1.570   8.323  -1.605
   63   3HG1  VAL   8          2HG1      VAL   8   0.826   9.921  -1.645
   64   1HG2  VAL   8          3HG2      VAL   8  -0.311   6.776  -4.256
   65   2HG2  VAL   8          2HG2      VAL   8   1.331   6.949  -3.638
   66   3HG2  VAL   8          1HG2      VAL   8   0.033   6.437  -2.560
   67    H    THR   9           HN       THR   9  -2.752   9.951  -1.085
   68    HA   THR   9           HA       THR   9  -2.102  12.669  -2.108
   69    HB   THR   9           HB       THR   9  -4.895  11.882  -1.239
   70    HG1  THR   9           HG1      THR   9  -3.824  12.223  -3.843
   71   1HG2  THR   9          2HG2      THR   9  -3.551  14.360  -2.246
   72   2HG2  THR   9          1HG2      THR   9  -5.238  14.081  -2.680
   73   3HG2  THR   9          3HG2      THR   9  -4.769  14.181  -0.983
   74    H    ALA  10           HN       ALA  10  -1.319  10.914   0.252
   75    HA   ALA  10           HA       ALA  10  -2.520  12.175   2.583
   76   1HB   ALA  10          2HB       ALA  10  -1.605   9.855   2.627
   77   2HB   ALA  10          1HB       ALA  10   0.011  10.517   2.379
   78   3HB   ALA  10          3HB       ALA  10  -0.876  10.889   3.857
   79    H    ASP  11           HN       ASP  11  -1.484  13.694   3.973
   80    HA   ASP  11           HA       ASP  11   0.145  15.668   2.640
   81   1HB   ASP  11          2HB       ASP  11  -1.493  15.834   4.735
   82   2HB   ASP  11          1HB       ASP  11   0.006  15.559   5.625
   83    H    SER  12           HN       SER  12   0.836  13.239   5.161
   84    HA   SER  12           HA       SER  12   3.666  13.916   5.273
   85   1HB   SER  12          2HB       SER  12   3.721  11.625   6.508
   86   2HB   SER  12          1HB       SER  12   2.849  12.958   7.262
   87    HG   SER  12           HG       SER  12   1.787  10.829   5.710
   88    H    GLY  13           HN       GLY  13   1.678  11.605   3.514
   89   1HA   GLY  13          2HA       GLY  13   2.404  10.727   1.361
   90   2HA   GLY  13          1HA       GLY  13   4.076  10.880   1.901
   91    H    ILE  14           HN       ILE  14   4.584   8.680   1.511
   92    HA   ILE  14           HA       ILE  14   3.143   6.714   3.247
   93    HB   ILE  14           HB       ILE  14   4.798   6.145   0.769
   94   1HG1  ILE  14          2HG1      ILE  14   1.781   6.166   1.104
   95   2HG1  ILE  14          1HG1      ILE  14   2.700   7.448   0.316
   96   1HG2  ILE  14          1HG2      ILE  14   4.477   4.374   2.627
   97   2HG2  ILE  14          3HG2      ILE  14   2.785   4.352   2.130
   98   3HG2  ILE  14          2HG2      ILE  14   4.048   3.908   0.981
   99   1HD1  ILE  14          2HD1      ILE  14   2.992   4.584  -0.573
  100   2HD1  ILE  14          1HD1      ILE  14   1.669   5.582  -1.174
  101   3HD1  ILE  14          3HD1      ILE  14   3.339   6.061  -1.473
  102   1HN   HIP  15           HN       HIP  15   4.563   7.438   5.019
  103    HA   HIP  15           HA       HIP  15   7.379   6.568   4.735
  104   1HB   HIP  15          1HB       HIP  15   7.122   8.850   5.513
  105   2HB   HIP  15          2HB       HIP  15   7.803   7.876   6.796
  106    HD2  HIP  15          2HD       HIP  15   4.138   9.122   5.893
  107    HE2  HIP  15          2HE       HIP  15   3.020   9.680   8.173
  108    HE1  HIP  15          1HE       HIP  15   4.597   9.142  10.077
  109    H    ALA  16           HN       ALA  16   7.921   6.056   7.468
  110    HA   ALA  16           HA       ALA  16   7.305   3.322   7.642
  111   1HB   ALA  16          1HB       ALA  16   8.969   4.978   8.980
  112   2HB   ALA  16          3HB       ALA  16   7.747   4.697  10.221
  113   3HB   ALA  16          2HB       ALA  16   8.603   3.333   9.500
  114    H    ARG  17           HN       ARG  17   5.571   6.008   9.310
  115    HA   ARG  17           HA       ARG  17   3.944   4.378  10.947
  116   1HB   ARG  17          2HB       ARG  17   4.095   7.103  10.403
  117   2HB   ARG  17          1HB       ARG  17   2.458   6.670   9.916
  118   1HG   ARG  17          2HG       ARG  17   2.087   5.600  12.108
  119   2HG   ARG  17          1HG       ARG  17   3.724   6.040  12.598
  120   1HD   ARG  17          2HD       ARG  17   3.126   8.449  12.194
  121   2HD   ARG  17          1HD       ARG  17   1.462   7.936  11.912
  122    HE   ARG  17           HE       ARG  17   1.368   7.206  14.265
  123   1HH1  ARG  17          HH11      ARG  17   3.685   6.669  15.529
  124   2HH1  ARG  17          HH12      ARG  17   4.332   8.159  16.131
  125   1HH2  ARG  17          HH21      ARG  17   2.389  10.147  14.057
  126   2HH2  ARG  17          HH22      ARG  17   3.599  10.129  15.297
  127    HA   PRO  18           HA       PRO  18   0.592   4.123   7.556
  128   1HB   PRO  18          2HB       PRO  18   1.267   4.896   4.999
  129   2HB   PRO  18          1HB       PRO  18   0.475   5.957   6.177
  130   1HG   PRO  18          2HG       PRO  18   3.341   5.906   5.313
  131   2HG   PRO  18          1HG       PRO  18   2.352   7.281   5.838
  132   1HD   PRO  18          2HD       PRO  18   4.233   6.003   7.441
  133   2HD   PRO  18          1HD       PRO  18   2.882   6.966   8.056
  134    H    ALA  19           HN       ALA  19   3.939   3.411   6.975
  135    HA   ALA  19           HA       ALA  19   3.444   1.228   5.092
  136   1HB   ALA  19          2HB       ALA  19   5.807   2.451   6.425
  137   2HB   ALA  19          1HB       ALA  19   5.947   0.756   5.961
  138   3HB   ALA  19          3HB       ALA  19   5.588   1.977   4.741
  139    H    THR  20           HN       THR  20   3.518   1.647   8.547
  140    HA   THR  20           HA       THR  20   3.943  -1.192   9.126
  141    HB   THR  20           HB       THR  20   2.864   0.820  11.087
  142    HG1  THR  20           HG1      THR  20   5.021   1.445  11.445
  143   1HG2  THR  20          3HG2      THR  20   3.338  -1.748  11.446
  144   2HG2  THR  20          2HG2      THR  20   5.012  -1.209  11.583
  145   3HG2  THR  20          1HG2      THR  20   3.789  -0.583  12.690
  146    H    VAL  21           HN       VAL  21   1.271   1.056   8.772
  147    HA   VAL  21           HA       VAL  21  -0.772  -0.652   9.899
  148    HB   VAL  21           HB       VAL  21  -1.129   1.473   7.794
  149   1HG1  VAL  21          1HG1      VAL  21  -2.985  -0.212   8.684
  150   2HG1  VAL  21          3HG1      VAL  21  -3.041   0.931  10.026
  151   3HG1  VAL  21          2HG1      VAL  21  -3.366   1.482   8.382
  152   1HG2  VAL  21          3HG2      VAL  21  -0.469   1.665  10.697
  153   2HG2  VAL  21          2HG2      VAL  21  -0.072   2.772   9.382
  154   3HG2  VAL  21          1HG2      VAL  21  -1.692   2.777  10.081
  155    H    LEU  22           HN       LEU  22   0.511  -0.087   6.682
  156    HA   LEU  22           HA       LEU  22  -1.363  -1.791   5.305
  157   1HB   LEU  22          2HB       LEU  22   1.356  -0.699   4.552
  158   2HB   LEU  22          1HB       LEU  22   0.290  -1.554   3.435
  159    HG   LEU  22           HG       LEU  22  -0.492   0.944   4.969
  160   1HD1  LEU  22          2HD1      LEU  22   0.834   0.496   2.330
  161   2HD1  LEU  22          1HD1      LEU  22  -0.438   1.718   2.388
  162   3HD1  LEU  22          3HD1      LEU  22   0.971   1.862   3.440
  163   1HD2  LEU  22          1HD2      LEU  22  -1.807  -0.736   2.816
  164   2HD2  LEU  22          3HD2      LEU  22  -2.445  -0.317   4.407
  165   3HD2  LEU  22          2HD2      LEU  22  -2.311   0.920   3.157
  166    H    VAL  23           HN       VAL  23   2.068  -2.237   6.259
  167    HA   VAL  23           HA       VAL  23   2.354  -4.881   5.280
  168    HB   VAL  23           HB       VAL  23   4.245  -3.489   6.062
  169   1HG1  VAL  23          2HG1      VAL  23   2.992  -2.596   8.072
  170   2HG1  VAL  23          1HG1      VAL  23   3.303  -4.140   8.865
  171   3HG1  VAL  23          3HG1      VAL  23   4.649  -3.101   8.397
  172   1HG2  VAL  23          1HG2      VAL  23   4.043  -6.181   6.209
  173   2HG2  VAL  23          3HG2      VAL  23   5.512  -5.312   6.651
  174   3HG2  VAL  23          2HG2      VAL  23   4.381  -5.824   7.903
  175    H    GLN  24           HN       GLN  24   0.815  -3.701   8.209
  176    HA   GLN  24           HA       GLN  24   0.701  -6.243   9.575
  177   1HB   GLN  24          2HB       GLN  24  -0.812  -3.646   9.839
  178   2HB   GLN  24          1HB       GLN  24  -1.259  -5.059  10.792
  179   1HG   GLN  24          2HG       GLN  24   1.600  -4.727  10.912
  180   2HG   GLN  24          1HG       GLN  24   0.830  -3.194  11.316
  181   1HE2  GLN  24          2HE2      GLN  24   0.544  -4.509  14.598
  182   2HE2  GLN  24          1HE2      GLN  24   1.302  -3.359  13.606
  183    H    THR  25           HN       THR  25  -1.575  -4.509   7.446
  184    HA   THR  25           HA       THR  25  -3.684  -6.451   7.641
  185    HB   THR  25           HB       THR  25  -3.248  -4.818   5.159
  186    HG1  THR  25           HG1      THR  25  -2.912  -3.214   6.504
  187   1HG2  THR  25          2HG2      THR  25  -5.520  -5.935   6.742
  188   2HG2  THR  25          1HG2      THR  25  -5.793  -4.441   5.847
  189   3HG2  THR  25          3HG2      THR  25  -5.281  -5.898   4.995
  190    H    ALA  26           HN       ALA  26  -1.410  -5.872   4.930
  191    HA   ALA  26           HA       ALA  26  -2.056  -8.224   3.484
  192   1HB   ALA  26          1HB       ALA  26   0.443  -6.528   3.577
  193   2HB   ALA  26          3HB       ALA  26   0.273  -7.900   2.481
  194   3HB   ALA  26          2HB       ALA  26  -0.826  -6.527   2.352
  195    H    SER  27           HN       SER  27  -0.068  -7.794   6.322
  196    HA   SER  27           HA       SER  27   1.585 -10.112   6.097
  197   1HB   SER  27          2HB       SER  27   2.129  -8.543   7.811
  198   2HB   SER  27          1HB       SER  27   0.501  -8.593   8.479
  199    HG   SER  27           HG       SER  27   2.633 -10.329   8.797
  200    H    LYS  28           HN       LYS  28  -1.711  -9.665   7.304
  201    HA   LYS  28           HA       LYS  28  -1.994 -12.390   8.257
  202   1HB   LYS  28          2HB       LYS  28  -3.917 -10.129   7.721
  203   2HB   LYS  28          1HB       LYS  28  -4.497 -11.734   8.167
  204   1HG   LYS  28          2HG       LYS  28  -3.657 -11.598  10.307
  205   2HG   LYS  28          1HG       LYS  28  -2.314 -10.561   9.827
  206   1HD   LYS  28          2HD       LYS  28  -3.805  -8.649   9.606
  207   2HD   LYS  28          1HD       LYS  28  -5.208  -9.667   9.937
  208   1HE   LYS  28          2HE       LYS  28  -3.972 -10.253  12.153
  209   2HE   LYS  28          1HE       LYS  28  -3.023  -8.804  11.822
  210   1HZ   LYS  28          3HZ       LYS  28  -5.980  -8.779  11.778
  211   2HZ   LYS  28          2HZ       LYS  28  -5.103  -8.525  13.211
  212   3HZ   LYS  28          1HZ       LYS  28  -4.917  -7.463  11.899
  213    H    TYR  29           HN       TYR  29  -2.260 -10.868   5.137
  214    HA   TYR  29           HA       TYR  29  -3.890 -13.067   4.032
  215   1HB   TYR  29          2HB       TYR  29  -2.660 -10.595   2.773
  216   2HB   TYR  29          1HB       TYR  29  -3.567 -11.806   1.866
  217    HD1  TYR  29          2HD       TYR  29  -5.962 -12.294   2.489
  218    HD2  TYR  29          1HD       TYR  29  -3.783  -8.974   4.121
  219    HE1  TYR  29          2HE       TYR  29  -8.093 -11.244   3.197
  220    HE2  TYR  29          1HE       TYR  29  -5.912  -7.924   4.831
  221    HH   TYR  29           HH       TYR  29  -8.902  -9.625   4.789
  222    H    ASP  30           HN       ASP  30  -3.022 -14.846   3.126
  223    HA   ASP  30           HA       ASP  30  -0.167 -15.286   3.120
  224   1HB   ASP  30          2HB       ASP  30  -2.428 -16.866   1.856
  225   2HB   ASP  30          1HB       ASP  30  -0.762 -17.430   1.988
  226    H    ALA  31           HN       ALA  31  -2.446 -14.097   0.752
  227    HA   ALA  31           HA       ALA  31  -1.040 -14.658  -1.646
  228   1HB   ALA  31          2HB       ALA  31  -2.806 -12.318  -0.883
  229   2HB   ALA  31          1HB       ALA  31  -2.216 -12.597  -2.522
  230   3HB   ALA  31          3HB       ALA  31  -3.282 -13.775  -1.755
  231    H    ASP  32           HN       ASP  32   0.561 -13.510  -2.773
  232    HA   ASP  32           HA       ASP  32   2.299 -11.817  -1.091
  233   1HB   ASP  32          2HB       ASP  32   2.612 -13.103  -3.810
  234   2HB   ASP  32          1HB       ASP  32   3.793 -11.956  -3.175
  235    H    VAL  33           HN       VAL  33   1.254  -9.810  -0.996
  236    HA   VAL  33           HA       VAL  33   0.415  -8.501  -3.508
  237    HB   VAL  33           HB       VAL  33  -0.390  -6.697  -2.002
  238   1HG1  VAL  33          1HG1      VAL  33  -1.378  -9.329  -2.199
  239   2HG1  VAL  33          3HG1      VAL  33  -1.496  -8.925  -0.486
  240   3HG1  VAL  33          2HG1      VAL  33  -2.276  -7.901  -1.692
  241   1HG2  VAL  33          1HG2      VAL  33   1.485  -7.108  -0.313
  242   2HG2  VAL  33          3HG2      VAL  33  -0.114  -6.825   0.370
  243   3HG2  VAL  33          2HG2      VAL  33   0.526  -8.464   0.276
  244    H    ASN  34           HN       ASN  34   1.480  -6.704  -4.395
  245    HA   ASN  34           HA       ASN  34   4.020  -5.871  -3.059
  246   1HB   ASN  34          2HB       ASN  34   3.684  -6.390  -6.026
  247   2HB   ASN  34          1HB       ASN  34   5.169  -5.910  -5.205
  248   1HD2  ASN  34          2HD2      ASN  34   5.825  -9.166  -3.908
  249   2HD2  ASN  34          1HD2      ASN  34   6.191  -7.516  -3.757
  250    H    LEU  35           HN       LEU  35   4.251  -3.698  -2.947
  251    HA   LEU  35           HA       LEU  35   2.242  -1.979  -4.271
  252   1HB   LEU  35          2HB       LEU  35   3.229  -1.845  -1.788
  253   2HB   LEU  35          1HB       LEU  35   4.450  -0.860  -2.594
  254    HG   LEU  35           HG       LEU  35   1.499  -0.374  -3.008
  255   1HD1  LEU  35          1HD1      LEU  35   2.544  -0.230  -0.535
  256   2HD1  LEU  35          3HD1      LEU  35   3.064   1.342  -1.141
  257   3HD1  LEU  35          2HD1      LEU  35   1.350   0.929  -1.118
  258   1HD2  LEU  35          2HD2      LEU  35   4.071   0.930  -3.727
  259   2HD2  LEU  35          1HD2      LEU  35   2.536   0.919  -4.592
  260   3HD2  LEU  35          3HD2      LEU  35   2.772   2.013  -3.229
  261    H    GLU  36           HN       GLU  36   2.763  -0.543  -5.928
  262    HA   GLU  36           HA       GLU  36   5.576  -0.679  -6.943
  263   1HB   GLU  36          2HB       GLU  36   3.813  -1.667  -8.429
  264   2HB   GLU  36          1HB       GLU  36   3.054  -0.077  -8.517
  265   1HG   GLU  36          2HG       GLU  36   5.587   0.608  -9.159
  266   2HG   GLU  36          1HG       GLU  36   5.569  -1.046  -9.770
  267    H    TYR  37           HN       TYR  37   6.643   1.177  -6.474
  268    HA   TYR  37           HA       TYR  37   5.116   3.709  -6.250
  269   1HB   TYR  37          2HB       TYR  37   6.679   3.165  -4.424
  270   2HB   TYR  37          1HB       TYR  37   8.008   3.070  -5.575
  271    HD1  TYR  37          1HD       TYR  37   5.214   5.565  -5.495
  272    HD2  TYR  37          2HD       TYR  37   9.413   4.857  -4.916
  273    HE1  TYR  37          1HE       TYR  37   5.596   8.005  -5.273
  274    HE2  TYR  37          2HE       TYR  37   9.793   7.299  -4.698
  275    HH   TYR  37           HH       TYR  37   8.286   9.487  -5.686
  276    H    ASN  38           HN       ASN  38   4.863   3.424  -8.717
  277    HA   ASN  38           HA       ASN  38   5.439   4.043 -10.910
  278   1HB   ASN  38          2HB       ASN  38   6.487   6.171  -9.099
  279   2HB   ASN  38          1HB       ASN  38   6.947   6.239 -10.800
  280   1HD2  ASN  38          2HD2      ASN  38   3.370   6.423 -11.786
  281   2HD2  ASN  38          1HD2      ASN  38   4.691   5.419 -12.149
  282    H    GLY  39           HN       GLY  39   6.775   2.153 -11.355
  283   1HA   GLY  39          2HA       GLY  39   8.764   1.530 -12.546
  284   2HA   GLY  39          1HA       GLY  39   9.598   2.888 -11.798
  285    H    LYS  40           HN       LYS  40   8.883   2.359  -9.079
  286    HA   LYS  40           HA       LYS  40  10.724   0.106  -8.565
  287   1HB   LYS  40          2HB       LYS  40   9.407   2.093  -6.687
  288   2HB   LYS  40          1HB       LYS  40  10.592   0.879  -6.203
  289   1HG   LYS  40          2HG       LYS  40  11.122   2.970  -8.330
  290   2HG   LYS  40          1HG       LYS  40  11.561   3.176  -6.633
  291   1HD   LYS  40          2HD       LYS  40  12.684   0.797  -6.981
  292   2HD   LYS  40          1HD       LYS  40  12.698   1.301  -8.671
  293   1HE   LYS  40          2HE       LYS  40  13.886   2.843  -6.346
  294   2HE   LYS  40          1HE       LYS  40  14.791   1.970  -7.582
  295   1HZ   LYS  40          3HZ       LYS  40  13.639   3.432  -9.238
  296   2HZ   LYS  40          2HZ       LYS  40  13.089   4.370  -7.933
  297   3HZ   LYS  40          1HZ       LYS  40  14.754   4.220  -8.233
  298    H    THR  41           HN       THR  41  10.121  -1.580  -6.987
  299    HA   THR  41           HA       THR  41   7.232  -1.949  -6.496
  300    HB   THR  41           HB       THR  41   8.832  -4.064  -7.957
  301    HG1  THR  41           HG1      THR  41   6.963  -2.146  -8.876
  302   1HG2  THR  41          1HG2      THR  41   6.683  -4.438  -6.391
  303   2HG2  THR  41          3HG2      THR  41   5.856  -3.971  -7.876
  304   3HG2  THR  41          2HG2      THR  41   6.938  -5.364  -7.871
  305    H    VAL  42           HN       VAL  42   7.765  -1.859  -4.275
  306    HA   VAL  42           HA       VAL  42   9.582  -3.997  -3.257
  307    HB   VAL  42           HB       VAL  42   9.052  -2.737  -0.995
  308   1HG1  VAL  42          2HG1      VAL  42  11.169  -2.782  -2.712
  309   2HG1  VAL  42          1HG1      VAL  42  10.826  -1.053  -2.636
  310   3HG1  VAL  42          3HG1      VAL  42  11.157  -1.952  -1.154
  311   1HG2  VAL  42          3HG2      VAL  42   7.354  -1.232  -2.165
  312   2HG2  VAL  42          2HG2      VAL  42   8.573  -0.401  -1.197
  313   3HG2  VAL  42          1HG2      VAL  42   8.725  -0.451  -2.953
  314    H    ASN  43           HN       ASN  43   8.823  -5.513  -1.750
  315    HA   ASN  43           HA       ASN  43   6.062  -6.297  -1.980
  316   1HB   ASN  43          2HB       ASN  43   8.166  -7.713  -1.329
  317   2HB   ASN  43          1HB       ASN  43   7.843  -7.132   0.305
  318   1HD2  ASN  43          2HD2      ASN  43   5.891 -10.333  -0.613
  319   2HD2  ASN  43          1HD2      ASN  43   7.496  -9.912  -0.971
  320    H    LEU  44           HN       LEU  44   4.355  -6.009  -0.437
  321    HA   LEU  44           HA       LEU  44   4.463  -3.570   1.068
  322   1HB   LEU  44          2HB       LEU  44   2.366  -4.723   0.172
  323   2HB   LEU  44          1HB       LEU  44   2.472  -5.766   1.596
  324    HG   LEU  44           HG       LEU  44   2.775  -3.466   2.860
  325   1HD1  LEU  44          2HD1      LEU  44   1.434  -2.709   0.272
  326   2HD1  LEU  44          1HD1      LEU  44   1.291  -1.742   1.744
  327   3HD1  LEU  44          3HD1      LEU  44   2.875  -1.999   1.008
  328   1HD2  LEU  44          1HD2      LEU  44   0.378  -4.955   1.974
  329   2HD2  LEU  44          3HD2      LEU  44   0.958  -4.596   3.599
  330   3HD2  LEU  44          2HD2      LEU  44   0.095  -3.364   2.678
  331    H    LYS  45           HN       LYS  45   5.680  -6.675   1.825
  332    HA   LYS  45           HA       LYS  45   5.420  -6.280   4.736
  333   1HB   LYS  45          2HB       LYS  45   6.856  -8.413   3.114
  334   2HB   LYS  45          1HB       LYS  45   6.687  -8.419   4.870
  335   1HG   LYS  45          2HG       LYS  45   4.853  -9.704   4.348
  336   2HG   LYS  45          1HG       LYS  45   4.103  -8.112   4.222
  337   1HD   LYS  45          2HD       LYS  45   3.992  -8.191   1.932
  338   2HD   LYS  45          1HD       LYS  45   5.478  -9.131   1.789
  339   1HE   LYS  45          2HE       LYS  45   3.174 -10.475   3.106
  340   2HE   LYS  45          1HE       LYS  45   3.048 -10.209   1.366
  341   1HZ   LYS  45          3HZ       LYS  45   5.506 -11.344   2.529
  342   2HZ   LYS  45          2HZ       LYS  45   4.167 -12.342   2.218
  343   3HZ   LYS  45          1HZ       LYS  45   4.906 -11.489   0.949
  344    H    SER  46           HN       SER  46   6.703  -4.115   3.618
  345    HA   SER  46           HA       SER  46   9.419  -4.403   4.754
  346   1HB   SER  46          2HB       SER  46   9.742  -4.949   2.366
  347   2HB   SER  46          1HB       SER  46   8.959  -3.440   1.902
  348    HG   SER  46           HG       SER  46  11.485  -3.919   2.942
  349    H    ILE  47           HN       ILE  47   8.844  -2.922   6.345
  350    HA   ILE  47           HA       ILE  47   7.528  -0.406   5.703
  351    HB   ILE  47           HB       ILE  47   8.997  -1.143   8.243
  352   1HG1  ILE  47          2HG1      ILE  47   6.114  -1.651   7.414
  353   2HG1  ILE  47          1HG1      ILE  47   7.345  -2.880   7.689
  354   1HG2  ILE  47          2HG2      ILE  47   8.301   1.273   7.762
  355   2HG2  ILE  47          1HG2      ILE  47   6.633   0.704   7.827
  356   3HG2  ILE  47          3HG2      ILE  47   7.666   0.573   9.251
  357   1HD1  ILE  47          1HD1      ILE  47   7.563  -1.892  10.055
  358   2HD1  ILE  47          3HD1      ILE  47   6.044  -1.064   9.717
  359   3HD1  ILE  47          2HD1      ILE  47   6.109  -2.826   9.711
  360    H    MET  48           HN       MET  48  10.847  -1.424   6.448
  361    HA   MET  48           HA       MET  48  11.935   1.263   6.369
  362   1HB   MET  48          2HB       MET  48  12.939  -0.904   7.432
  363   2HB   MET  48          1HB       MET  48  13.556  -1.211   5.808
  364   1HG   MET  48          2HG       MET  48  13.960   1.499   7.027
  365   2HG   MET  48          1HG       MET  48  15.003   0.170   7.534
  366   1HE   MET  48          1HE       MET  48  16.196   2.468   6.641
  367   2HE   MET  48          3HE       MET  48  17.387   1.184   6.396
  368   3HE   MET  48          2HE       MET  48  17.091   2.369   5.126
  369    H    GLY  49           HN       GLY  49  11.307  -1.237   3.986
  370   1HA   GLY  49          2HA       GLY  49  12.963  -0.113   1.893
  371   2HA   GLY  49          1HA       GLY  49  11.672  -1.293   1.662
  372    H    VAL  50           HN       VAL  50   9.689   0.462   3.026
  373    HA   VAL  50           HA       VAL  50   8.824   1.945   0.682
  374    HB   VAL  50           HB       VAL  50   7.746   2.041   3.518
  375   1HG1  VAL  50          1HG1      VAL  50   6.745   2.986   0.839
  376   2HG1  VAL  50          3HG1      VAL  50   5.607   2.557   2.116
  377   3HG1  VAL  50          2HG1      VAL  50   6.777   3.851   2.375
  378   1HG2  VAL  50          3HG2      VAL  50   7.898  -0.192   1.926
  379   2HG2  VAL  50          2HG2      VAL  50   6.647   0.080   3.138
  380   3HG2  VAL  50          1HG2      VAL  50   6.335   0.471   1.448
  381    H    VAL  51           HN       VAL  51  10.106   2.845   3.882
  382    HA   VAL  51           HA       VAL  51   9.961   5.692   3.427
  383    HB   VAL  51           HB       VAL  51  11.823   4.197   5.295
  384   1HG1  VAL  51          2HG1      VAL  51  12.098   6.725   4.784
  385   2HG1  VAL  51          1HG1      VAL  51  10.598   6.923   5.689
  386   3HG1  VAL  51          3HG1      VAL  51  12.017   6.230   6.474
  387   1HG2  VAL  51          3HG2      VAL  51   8.904   4.903   5.470
  388   2HG2  VAL  51          2HG2      VAL  51   9.712   3.407   5.937
  389   3HG2  VAL  51          1HG2      VAL  51   9.882   4.850   6.936
  390    H    SER  52           HN       SER  52  12.329   3.212   2.682
  391    HA   SER  52           HA       SER  52  14.554   4.952   2.157
  392   1HB   SER  52          2HB       SER  52  15.495   3.030   0.944
  393   2HB   SER  52          1HB       SER  52  14.790   2.506   2.471
  394    HG   SER  52           HG       SER  52  14.215   1.649   0.054
  395    H    LEU  53           HN       LEU  53  11.773   3.941   0.264
  396    HA   LEU  53           HA       LEU  53  12.720   4.741  -2.317
  397   1HB   LEU  53          2HB       LEU  53   9.954   4.499  -1.118
  398   2HB   LEU  53          1HB       LEU  53  10.207   5.001  -2.791
  399    HG   LEU  53           HG       LEU  53  11.380   2.461  -1.636
  400   1HD1  LEU  53          1HD1      LEU  53   8.682   3.064  -2.746
  401   2HD1  LEU  53          3HD1      LEU  53   9.451   1.572  -3.285
  402   3HD1  LEU  53          2HD1      LEU  53   9.165   1.846  -1.567
  403   1HD2  LEU  53          2HD2      LEU  53  11.222   3.765  -4.334
  404   2HD2  LEU  53          1HD2      LEU  53  12.581   2.938  -3.574
  405   3HD2  LEU  53          3HD2      LEU  53  11.242   2.004  -4.241
  406    H    GLY  54           HN       GLY  54  10.708   6.488   0.071
  407   1HA   GLY  54          2HA       GLY  54  10.928   8.828   0.584
  408   2HA   GLY  54          1HA       GLY  54  11.865   9.040  -0.896
  409    H    ILE  55           HN       ILE  55   8.634   7.632  -0.277
  410    HA   ILE  55           HA       ILE  55   7.555   8.912  -2.665
  411    HB   ILE  55           HB       ILE  55   6.047   7.523  -0.428
  412   1HG1  ILE  55          2HG1      ILE  55   7.152   6.345  -2.999
  413   2HG1  ILE  55          1HG1      ILE  55   7.892   6.128  -1.413
  414   1HG2  ILE  55          1HG2      ILE  55   5.400   8.498  -3.180
  415   2HG2  ILE  55          3HG2      ILE  55   4.650   6.995  -2.642
  416   3HG2  ILE  55          2HG2      ILE  55   4.395   8.485  -1.730
  417   1HD1  ILE  55          3HD1      ILE  55   5.069   5.305  -2.159
  418   2HD1  ILE  55          2HD1      ILE  55   6.441   4.211  -1.987
  419   3HD1  ILE  55          1HD1      ILE  55   5.823   5.078  -0.581
  420    H    ALA  56           HN       ALA  56   5.697  10.410  -2.594
  421    HA   ALA  56           HA       ALA  56   5.361  11.935  -0.078
  422   1HB   ALA  56          1HB       ALA  56   7.251  12.804  -1.811
  423   2HB   ALA  56          3HB       ALA  56   5.833  13.609  -2.484
  424   3HB   ALA  56          2HB       ALA  56   6.294  13.893  -0.806
  425    H    LYS  57           HN       LYS  57   3.746  13.872  -0.671
  426    HA   LYS  57           HA       LYS  57   1.286  12.670  -1.472
  427   1HB   LYS  57          2HB       LYS  57   0.398  14.997  -1.458
  428   2HB   LYS  57          1HB       LYS  57   1.342  14.636  -0.015
  429   1HG   LYS  57          2HG       LYS  57   3.283  15.784  -0.938
  430   2HG   LYS  57          1HG       LYS  57   2.438  16.045  -2.466
  431   1HD   LYS  57          2HD       LYS  57   1.038  17.668  -1.574
  432   2HD   LYS  57          1HD       LYS  57   1.172  17.031   0.065
  433   1HE   LYS  57          2HE       LYS  57   3.624  17.752  -0.005
  434   2HE   LYS  57          1HE       LYS  57   3.215  18.648  -1.468
  435   1HZ   LYS  57          3HZ       LYS  57   1.466  19.782  -0.186
  436   2HZ   LYS  57          2HZ       LYS  57   1.999  18.988   1.218
  437   3HZ   LYS  57          1HZ       LYS  57   3.021  20.086   0.420
  438    H    GLY  58           HN       GLY  58   0.088  12.864  -3.408
  439   1HA   GLY  58          2HA       GLY  58  -0.285  13.283  -5.702
  440   2HA   GLY  58          1HA       GLY  58   1.114  14.357  -5.692
  441    H    ALA  59           HN       ALA  59   0.440  10.856  -5.312
  442    HA   ALA  59           HA       ALA  59   2.447  10.272  -7.402
  443   1HB   ALA  59          3HB       ALA  59   3.677  10.362  -5.197
  444   2HB   ALA  59          2HB       ALA  59   2.670   9.021  -4.650
  445   3HB   ALA  59          1HB       ALA  59   3.768   8.801  -6.013
  446    H    GLU  60           HN       GLU  60   1.592   8.701  -8.668
  447    HA   GLU  60           HA       GLU  60  -0.760   7.200  -7.730
  448   1HB   GLU  60          2HB       GLU  60   0.663   7.530 -10.361
  449   2HB   GLU  60          1HB       GLU  60  -0.474   6.200 -10.140
  450   1HG   GLU  60          2HG       GLU  60  -1.991   7.771 -10.828
  451   2HG   GLU  60          1HG       GLU  60  -1.950   8.222  -9.124
  452    H    ILE  61           HN       ILE  61  -0.610   5.216  -6.825
  453    HA   ILE  61           HA       ILE  61   1.918   3.669  -7.232
  454    HB   ILE  61           HB       ILE  61   1.321   2.551  -5.068
  455   1HG1  ILE  61          2HG1      ILE  61  -0.785   4.730  -4.901
  456   2HG1  ILE  61          1HG1      ILE  61  -1.139   3.038  -5.256
  457   1HG2  ILE  61          2HG2      ILE  61   1.891   5.464  -5.361
  458   2HG2  ILE  61          1HG2      ILE  61   1.512   4.878  -3.741
  459   3HG2  ILE  61          3HG2      ILE  61   2.874   4.196  -4.631
  460   1HD1  ILE  61          2HD1      ILE  61   0.246   2.590  -3.061
  461   2HD1  ILE  61          1HD1      ILE  61  -0.156   4.269  -2.702
  462   3HD1  ILE  61          3HD1      ILE  61  -1.442   3.088  -2.947
  463    H    THR  62           HN       THR  62   1.627   1.280  -7.291
  464    HA   THR  62           HA       THR  62  -1.090   0.432  -8.181
  465    HB   THR  62           HB       THR  62   1.414  -0.473  -9.604
  466    HG1  THR  62           HG1      THR  62  -0.319   1.673 -10.263
  467   1HG2  THR  62          2HG2      THR  62  -1.527  -0.779  -9.910
  468   2HG2  THR  62          1HG2      THR  62  -0.593  -0.590 -11.394
  469   3HG2  THR  62          3HG2      THR  62  -0.232  -1.915 -10.287
  470    H    ILE  63           HN       ILE  63  -1.635  -1.088  -6.706
  471    HA   ILE  63           HA       ILE  63   0.449  -2.815  -5.511
  472    HB   ILE  63           HB       ILE  63  -2.520  -2.508  -4.942
  473   1HG1  ILE  63          2HG1      ILE  63  -0.082  -1.672  -3.340
  474   2HG1  ILE  63          1HG1      ILE  63  -1.036  -0.581  -4.343
  475   1HG2  ILE  63          1HG2      ILE  63  -0.397  -4.283  -3.736
  476   2HG2  ILE  63          3HG2      ILE  63  -1.795  -3.769  -2.793
  477   3HG2  ILE  63          2HG2      ILE  63  -2.024  -4.715  -4.265
  478   1HD1  ILE  63          1HD1      ILE  63  -3.049  -1.562  -2.925
  479   2HD1  ILE  63          3HD1      ILE  63  -1.770  -1.912  -1.762
  480   3HD1  ILE  63          2HD1      ILE  63  -2.057  -0.252  -2.285
  481    H    SER  64           HN       SER  64   0.082  -5.190  -5.459
  482    HA   SER  64           HA       SER  64  -1.714  -6.276  -7.537
  483   1HB   SER  64          2HB       SER  64   0.263  -7.606  -8.471
  484   2HB   SER  64          1HB       SER  64   0.195  -5.901  -8.903
  485    HG   SER  64           HG       SER  64   2.155  -5.930  -8.108
  486    H    ALA  65           HN       ALA  65  -2.793  -7.581  -6.091
  487    HA   ALA  65           HA       ALA  65  -1.267  -9.256  -4.183
  488   1HB   ALA  65          3HB       ALA  65  -4.256  -9.035  -4.692
  489   2HB   ALA  65          2HB       ALA  65  -3.504  -9.941  -3.378
  490   3HB   ALA  65          1HB       ALA  65  -3.366  -8.183  -3.429
  491    H    SER  66           HN       SER  66  -0.696 -11.337  -4.708
  492    HA   SER  66           HA       SER  66  -2.317 -12.804  -6.722
  493   1HB   SER  66          2HB       SER  66   0.232 -11.646  -7.268
  494   2HB   SER  66          1HB       SER  66   0.442 -13.393  -7.225
  495    HG   SER  66           HG       SER  66  -0.916 -11.806  -9.007
  496    H    GLY  67           HN       GLY  67  -2.927 -14.579  -5.588
  497   1HA   GLY  67          2HA       GLY  67  -1.137 -16.600  -4.763
  498   2HA   GLY  67          1HA       GLY  67  -1.515 -15.641  -3.330
  499    H    ALA  68           HN       ALA  68  -2.929 -16.917  -2.200
  500    HA   ALA  68           HA       ALA  68  -5.055 -18.396  -3.615
  501   1HB   ALA  68          3HB       ALA  68  -3.636 -19.037  -1.417
  502   2HB   ALA  68          2HB       ALA  68  -5.006 -18.242  -0.640
  503   3HB   ALA  68          1HB       ALA  68  -5.274 -19.634  -1.690
  504    H    ASP  69           HN       ASP  69  -4.944 -16.029  -0.926
  505    HA   ASP  69           HA       ASP  69  -7.718 -15.211  -1.656
  506   1HB   ASP  69          2HB       ASP  69  -7.683 -14.104   0.619
  507   2HB   ASP  69          1HB       ASP  69  -7.541 -15.860   0.663
  508    H    GLU  70           HN       GLU  70  -5.735 -14.312  -3.357
  509    HA   GLU  70           HA       GLU  70  -4.519 -11.831  -2.688
  510   1HB   GLU  70          2HB       GLU  70  -4.406 -11.461  -5.144
  511   2HB   GLU  70          1HB       GLU  70  -3.883 -13.081  -4.692
  512   1HG   GLU  70          2HG       GLU  70  -6.130 -13.958  -5.255
  513   2HG   GLU  70          1HG       GLU  70  -6.636 -12.337  -5.728
  514    H    ASN  71           HN       ASN  71  -7.757 -12.564  -3.932
  515    HA   ASN  71           HA       ASN  71  -8.514  -9.838  -4.447
  516   1HB   ASN  71          2HB       ASN  71 -10.246 -12.239  -3.786
  517   2HB   ASN  71          1HB       ASN  71 -10.824 -10.718  -4.469
  518   1HD2  ASN  71          2HD2      ASN  71  -9.468 -13.497  -6.973
  519   2HD2  ASN  71          1HD2      ASN  71  -9.947 -13.803  -5.374
  520    H    ASP  72           HN       ASP  72  -8.770 -11.917  -1.584
  521    HA   ASP  72           HA       ASP  72 -10.350 -10.056  -0.042
  522   1HB   ASP  72          2HB       ASP  72  -8.550 -12.334   0.813
  523   2HB   ASP  72          1HB       ASP  72  -9.623 -11.454   1.900
  524    H    ALA  73           HN       ALA  73  -6.932 -10.353  -0.712
  525    HA   ALA  73           HA       ALA  73  -6.092  -8.707   1.543
  526   1HB   ALA  73          2HB       ALA  73  -4.673  -9.721  -0.924
  527   2HB   ALA  73          1HB       ALA  73  -3.886  -8.697   0.277
  528   3HB   ALA  73          3HB       ALA  73  -4.496 -10.287   0.737
  529    H    LEU  74           HN       LEU  74  -6.543  -8.126  -1.968
  530    HA   LEU  74           HA       LEU  74  -5.527  -5.464  -1.929
  531   1HB   LEU  74          2HB       LEU  74  -6.594  -5.150  -4.076
  532   2HB   LEU  74          1HB       LEU  74  -5.952  -6.786  -4.011
  533    HG   LEU  74           HG       LEU  74  -8.370  -7.360  -3.129
  534   1HD1  LEU  74          3HD1      LEU  74  -8.659  -4.616  -3.635
  535   2HD1  LEU  74          2HD1      LEU  74  -9.441  -5.402  -5.007
  536   3HD1  LEU  74          1HD1      LEU  74  -9.963  -5.771  -3.364
  537   1HD2  LEU  74          3HD2      LEU  74  -7.146  -7.997  -5.320
  538   2HD2  LEU  74          2HD2      LEU  74  -8.908  -8.088  -5.309
  539   3HD2  LEU  74          1HD2      LEU  74  -8.101  -6.712  -6.057
  540    H    ASN  75           HN       ASN  75  -8.843  -6.676  -1.374
  541    HA   ASN  75           HA       ASN  75  -9.891  -3.976  -1.059
  542   1HB   ASN  75          2HB       ASN  75 -11.967  -5.051  -0.338
  543   2HB   ASN  75          1HB       ASN  75 -11.349  -5.842  -1.784
  544   1HD2  ASN  75          2HD2      ASN  75 -11.235  -7.877   1.790
  545   2HD2  ASN  75          1HD2      ASN  75 -11.330  -6.183   1.806
  546    H    ALA  76           HN       ALA  76  -8.339  -6.283   1.039
  547    HA   ALA  76           HA       ALA  76  -9.326  -5.325   3.551
  548   1HB   ALA  76          2HB       ALA  76  -7.780  -7.394   2.914
  549   2HB   ALA  76          1HB       ALA  76  -6.493  -6.252   3.297
  550   3HB   ALA  76          3HB       ALA  76  -7.699  -6.662   4.516
  551    H    LEU  77           HN       LEU  77  -6.182  -4.613   1.972
  552    HA   LEU  77           HA       LEU  77  -5.547  -2.431   3.710
  553   1HB   LEU  77          2HB       LEU  77  -4.584  -2.845   0.870
  554   2HB   LEU  77          1HB       LEU  77  -3.780  -1.918   2.136
  555    HG   LEU  77           HG       LEU  77  -4.310  -4.566   3.143
  556   1HD1  LEU  77          2HD1      LEU  77  -4.238  -4.898   0.528
  557   2HD1  LEU  77          1HD1      LEU  77  -2.499  -4.706   0.756
  558   3HD1  LEU  77          3HD1      LEU  77  -3.360  -6.003   1.586
  559   1HD2  LEU  77          3HD2      LEU  77  -1.844  -2.952   2.463
  560   2HD2  LEU  77          2HD2      LEU  77  -2.537  -3.266   4.054
  561   3HD2  LEU  77          1HD2      LEU  77  -1.740  -4.565   3.168
  562    H    GLU  78           HN       GLU  78  -7.446  -2.632   0.758
  563    HA   GLU  78           HA       GLU  78  -7.453   0.117   0.020
  564   1HB   GLU  78          2HB       GLU  78  -8.396  -1.703  -1.380
  565   2HB   GLU  78          1HB       GLU  78  -9.715  -1.894  -0.227
  566   1HG   GLU  78          2HG       GLU  78  -9.338   0.884  -1.130
  567   2HG   GLU  78          1HG       GLU  78  -9.765  -0.228  -2.430
  568    H    GLU  79           HN       GLU  79  -9.799  -1.641   2.098
  569    HA   GLU  79           HA       GLU  79 -11.291   0.684   2.831
  570   1HB   GLU  79          2HB       GLU  79 -12.106  -0.727   4.727
  571   2HB   GLU  79          1HB       GLU  79 -12.206  -1.547   3.170
  572   1HG   GLU  79          2HG       GLU  79 -10.388  -2.948   3.640
  573   2HG   GLU  79          1HG       GLU  79  -9.761  -1.874   4.890
  574    H    THR  80           HN       THR  80  -8.274  -0.654   4.014
  575    HA   THR  80           HA       THR  80  -8.204   0.793   6.512
  576    HB   THR  80           HB       THR  80  -5.833  -0.110   4.851
  577    HG1  THR  80           HG1      THR  80  -6.107  -2.083   5.718
  578   1HG2  THR  80          2HG2      THR  80  -6.273   0.419   7.799
  579   2HG2  THR  80          1HG2      THR  80  -4.842  -0.386   7.156
  580   3HG2  THR  80          3HG2      THR  80  -5.191   1.284   6.709
  581    H    MET  81           HN       MET  81  -7.347   1.539   3.192
  582    HA   MET  81           HA       MET  81  -5.895   3.975   3.758
  583   1HB   MET  81          2HB       MET  81  -7.135   2.720   1.324
  584   2HB   MET  81          1HB       MET  81  -6.601   4.397   1.252
  585   1HG   MET  81          2HG       MET  81  -4.675   2.501   2.473
  586   2HG   MET  81          1HG       MET  81  -4.970   2.272   0.752
  587   1HE   MET  81          1HE       MET  81  -2.473   2.752   2.133
  588   2HE   MET  81          3HE       MET  81  -1.600   4.215   1.654
  589   3HE   MET  81          2HE       MET  81  -2.552   4.198   3.136
  590    H    LYS  82           HN       LYS  82  -9.270   3.132   3.276
  591    HA   LYS  82           HA       LYS  82 -10.126   5.943   3.131
  592   1HB   LYS  82          2HB       LYS  82 -11.472   3.266   2.977
  593   2HB   LYS  82          1HB       LYS  82 -12.444   4.688   3.365
  594   1HG   LYS  82          2HG       LYS  82 -12.176   5.612   1.283
  595   2HG   LYS  82          1HG       LYS  82 -10.547   4.963   1.090
  596   1HD   LYS  82          2HD       LYS  82 -11.903   3.761  -0.464
  597   2HD   LYS  82          1HD       LYS  82 -11.640   2.659   0.889
  598   1HE   LYS  82          2HE       LYS  82 -13.880   3.907   1.751
  599   2HE   LYS  82          1HE       LYS  82 -14.132   4.015   0.009
  600   1HZ   LYS  82          2HZ       LYS  82 -13.364   1.485   1.337
  601   2HZ   LYS  82          1HZ       LYS  82 -14.988   1.949   1.149
  602   3HZ   LYS  82          3HZ       LYS  82 -14.015   1.703  -0.218
  603    H    SER  83           HN       SER  83  -9.546   3.590   5.603
  604    HA   SER  83           HA       SER  83 -11.446   4.600   7.541
  605   1HB   SER  83          2HB       SER  83 -10.108   3.274   9.161
  606   2HB   SER  83          1HB       SER  83 -10.535   2.335   7.734
  607    HG   SER  83           HG       SER  83  -8.108   2.969   8.695
  608    H    GLU  84           HN       GLU  84  -7.890   4.984   7.219
  609    HA   GLU  84           HA       GLU  84  -8.055   7.301   9.080
  610   1HB   GLU  84          2HB       GLU  84  -5.715   5.677   8.054
  611   2HB   GLU  84          1HB       GLU  84  -5.538   7.111   9.066
  612   1HG   GLU  84          2HG       GLU  84  -6.365   6.062  10.939
  613   2HG   GLU  84          1HG       GLU  84  -7.436   5.015  10.008
  614    H    GLY  85           HN       GLY  85  -8.521   7.029   5.900
  615   1HA   GLY  85          2HA       GLY  85  -8.231   8.472   4.076
  616   2HA   GLY  85          1HA       GLY  85  -7.901   9.726   5.271
  617    H    LEU  86           HN       LEU  86  -6.493   7.545   2.985
  618    HA   LEU  86           HA       LEU  86  -3.841   8.797   3.486
  619   1HB   LEU  86          2HB       LEU  86  -4.454   5.844   3.383
  620   2HB   LEU  86          1HB       LEU  86  -2.844   6.468   3.024
  621    HG   LEU  86           HG       LEU  86  -4.328   7.193   5.556
  622   1HD1  LEU  86          3HD1      LEU  86  -4.042   4.736   5.439
  623   2HD1  LEU  86          2HD1      LEU  86  -2.319   4.960   5.135
  624   3HD1  LEU  86          1HD1      LEU  86  -3.013   5.449   6.681
  625   1HD2  LEU  86          3HD2      LEU  86  -2.130   8.325   4.426
  626   2HD2  LEU  86          2HD2      LEU  86  -2.388   8.247   6.169
  627   3HD2  LEU  86          1HD2      LEU  86  -1.365   7.050   5.375
  628    H    GLY  87           HN       GLY  87  -5.643   6.569   1.340
  629   1HA   GLY  87          2HA       GLY  87  -4.933   8.214  -0.986
  630   2HA   GLY  87          1HA       GLY  87  -4.208   6.605  -0.980
  631    H    GLU  88           HN       GLU  88  -6.459   7.965  -2.606
  632    HA   GLU  88           HA       GLU  88  -8.263   5.611  -2.536
  633   1HB   GLU  88          2HB       GLU  88 -10.251   7.136  -2.689
  634   2HB   GLU  88          1HB       GLU  88  -9.425   7.218  -1.134
  635   1HG   GLU  88          2HG       GLU  88  -8.106   9.187  -2.113
  636   2HG   GLU  88          1HG       GLU  88  -9.294   9.194  -3.416
   
  No H/Q in entry =         636
  Start of MODEL    4
    1   1H    ALA   2          1HT       ALA   2  -5.440  -9.366  -9.586
    2   2H    ALA   2          3HT       ALA   2  -6.827 -10.340  -9.521
    3   3H    ALA   2          2HT       ALA   2  -6.959  -8.705  -9.964
    4    HA   ALA   2           HA       ALA   2  -7.684  -8.747  -7.762
    5   1HB   ALA   2          1HB       ALA   2  -5.389 -10.675  -7.424
    6   2HB   ALA   2          3HB       ALA   2  -6.089  -9.848  -6.032
    7   3HB   ALA   2          2HB       ALA   2  -7.091 -10.908  -7.024
    8    H    GLN   3           HN       GLN   3  -5.903  -7.092  -9.430
    9    HA   GLN   3           HA       GLN   3  -4.191  -5.861  -7.310
   10   1HB   GLN   3          2HB       GLN   3  -3.052  -4.721  -9.260
   11   2HB   GLN   3          1HB       GLN   3  -2.860  -6.472  -9.223
   12   1HG   GLN   3          2HG       GLN   3  -4.226  -6.802 -11.055
   13   2HG   GLN   3          1HG       GLN   3  -5.201  -5.373 -10.714
   14   1HE2  GLN   3          1HE2      GLN   3  -3.665  -3.232 -10.808
   15   2HE2  GLN   3          2HE2      GLN   3  -2.704  -3.144 -12.204
   16    H    LYS   4           HN       LYS   4  -4.272  -3.557  -7.071
   17    HA   LYS   4           HA       LYS   4  -6.485  -2.150  -8.472
   18   1HB   LYS   4          2HB       LYS   4  -7.285  -3.133  -6.246
   19   2HB   LYS   4          1HB       LYS   4  -6.188  -1.992  -5.467
   20   1HG   LYS   4          2HG       LYS   4  -7.361  -0.114  -6.307
   21   2HG   LYS   4          1HG       LYS   4  -8.214  -1.080  -7.511
   22   1HD   LYS   4          2HD       LYS   4  -8.594  -1.812  -4.642
   23   2HD   LYS   4          1HD       LYS   4  -9.384  -0.344  -5.221
   24   1HE   LYS   4          2HE       LYS   4  -9.601  -2.959  -6.717
   25   2HE   LYS   4          1HE       LYS   4 -10.720  -2.535  -5.421
   26   1HZ   LYS   4          1HZ       LYS   4 -10.914  -0.330  -6.749
   27   2HZ   LYS   4          3HZ       LYS   4 -10.352  -1.268  -8.045
   28   3HZ   LYS   4          2HZ       LYS   4 -11.789  -1.698  -7.248
   29    H    THR   5           HN       THR   5  -6.088   0.049  -8.736
   30    HA   THR   5           HA       THR   5  -3.355   0.946  -8.014
   31    HB   THR   5           HB       THR   5  -5.392   2.362  -9.753
   32    HG1  THR   5           HG1      THR   5  -3.300   0.613 -10.524
   33   1HG2  THR   5          1HG2      THR   5  -2.405   2.591  -9.343
   34   2HG2  THR   5          3HG2      THR   5  -3.237   3.308 -10.724
   35   3HG2  THR   5          2HG2      THR   5  -3.630   3.835  -9.087
   36    H    PHE   6           HN       PHE   6  -3.033   2.380  -6.380
   37    HA   PHE   6           HA       PHE   6  -5.432   3.764  -5.254
   38   1HB   PHE   6          2HB       PHE   6  -2.859   2.856  -3.932
   39   2HB   PHE   6          1HB       PHE   6  -4.066   3.868  -3.137
   40    HD1  PHE   6          1HD       PHE   6  -3.463   0.549  -4.683
   41    HD2  PHE   6          2HD       PHE   6  -6.133   2.961  -2.337
   42    HE1  PHE   6          1HE       PHE   6  -4.794  -1.468  -4.124
   43    HE2  PHE   6          2HE       PHE   6  -7.464   0.944  -1.781
   44    HZ   PHE   6           HZ       PHE   6  -6.794  -1.270  -2.672
   45    H    LYS   7           HN       LYS   7  -5.158   5.964  -4.577
   46    HA   LYS   7           HA       LYS   7  -2.836   7.337  -5.879
   47   1HB   LYS   7          2HB       LYS   7  -5.724   8.162  -5.541
   48   2HB   LYS   7          1HB       LYS   7  -4.459   9.341  -5.889
   49   1HG   LYS   7          2HG       LYS   7  -4.790   6.857  -7.570
   50   2HG   LYS   7          1HG       LYS   7  -5.714   8.322  -7.905
   51   1HD   LYS   7          2HD       LYS   7  -2.756   8.568  -7.518
   52   2HD   LYS   7          1HD       LYS   7  -3.352   7.922  -9.048
   53   1HE   LYS   7          2HE       LYS   7  -4.991  10.010  -8.892
   54   2HE   LYS   7          1HE       LYS   7  -3.699  10.654  -7.880
   55   1HZ   LYS   7          1HZ       LYS   7  -3.289   9.529 -10.596
   56   2HZ   LYS   7          3HZ       LYS   7  -3.456  11.185 -10.268
   57   3HZ   LYS   7          2HZ       LYS   7  -2.135  10.324  -9.635
   58    H    VAL   8           HN       VAL   8  -1.438   8.070  -4.366
   59    HA   VAL   8           HA       VAL   8  -2.203   8.377  -1.575
   60    HB   VAL   8           HB       VAL   8   0.345   9.377  -2.873
   61   1HG1  VAL   8          1HG1      VAL   8  -0.443   9.824  -0.388
   62   2HG1  VAL   8          3HG1      VAL   8   0.094   8.162  -0.143
   63   3HG1  VAL   8          2HG1      VAL   8   1.230   9.380  -0.724
   64   1HG2  VAL   8          3HG2      VAL   8  -0.455   6.587  -2.009
   65   2HG2  VAL   8          2HG2      VAL   8   0.200   7.093  -3.567
   66   3HG2  VAL   8          1HG2      VAL   8   1.232   7.084  -2.138
   67    H    THR   9           HN       THR   9  -3.243  10.135  -0.806
   68    HA   THR   9           HA       THR   9  -2.811  12.752  -2.191
   69    HB   THR   9           HB       THR   9  -5.234  12.025  -0.539
   70    HG1  THR   9           HG1      THR   9  -6.211  11.433  -2.447
   71   1HG2  THR   9          3HG2      THR   9  -4.405  14.441  -1.392
   72   2HG2  THR   9          2HG2      THR   9  -5.273  13.915  -2.834
   73   3HG2  THR   9          1HG2      THR   9  -6.112  14.008  -1.285
   74    H    ALA  10           HN       ALA  10  -2.459  11.042   0.783
   75    HA   ALA  10           HA       ALA  10  -2.764  13.123   2.687
   76   1HB   ALA  10          2HB       ALA  10  -1.112  10.612   2.583
   77   2HB   ALA  10          1HB       ALA  10  -0.912  11.742   3.923
   78   3HB   ALA  10          3HB       ALA  10  -2.484  10.997   3.625
   79    H    ASP  11           HN       ASP  11  -1.292  14.645   3.523
   80    HA   ASP  11           HA       ASP  11   0.576  15.796   1.685
   81   1HB   ASP  11          2HB       ASP  11  -0.127  16.220   4.563
   82   2HB   ASP  11          1HB       ASP  11   1.368  16.934   3.956
   83    H    SER  12           HN       SER  12   1.104  13.915   4.682
   84    HA   SER  12           HA       SER  12   3.957  13.854   4.489
   85   1HB   SER  12          2HB       SER  12   3.611  11.690   5.910
   86   2HB   SER  12          1HB       SER  12   3.118  13.237   6.591
   87    HG   SER  12           HG       SER  12   1.400  11.889   6.844
   88    H    GLY  13           HN       GLY  13   1.434  11.895   3.021
   89   1HA   GLY  13          2HA       GLY  13   1.717  10.616   1.013
   90   2HA   GLY  13          1HA       GLY  13   3.464  10.671   1.252
   91    H    ILE  14           HN       ILE  14   3.975   8.500   1.278
   92    HA   ILE  14           HA       ILE  14   2.615   6.836   3.361
   93    HB   ILE  14           HB       ILE  14   3.837   5.845   0.769
   94   1HG1  ILE  14          2HG1      ILE  14   0.909   6.165   1.502
   95   2HG1  ILE  14          1HG1      ILE  14   1.790   7.258   0.436
   96   1HG2  ILE  14          2HG2      ILE  14   2.583   4.592   3.162
   97   2HG2  ILE  14          1HG2      ILE  14   2.152   3.911   1.592
   98   3HG2  ILE  14          3HG2      ILE  14   3.842   3.969   2.096
   99   1HD1  ILE  14          1HD1      ILE  14   1.682   4.283  -0.075
  100   2HD1  ILE  14          3HD1      ILE  14   0.451   5.381  -0.699
  101   3HD1  ILE  14          2HD1      ILE  14   2.132   5.566  -1.197
  102   1HN   HIP  15           HN       HIP  15   4.216   7.300   4.942
  103    HA   HIP  15           HA       HIP  15   6.962   6.384   4.275
  104   1HB   HIP  15          1HB       HIP  15   6.803   8.729   5.009
  105   2HB   HIP  15          2HB       HIP  15   7.753   7.769   6.122
  106    HD2  HIP  15          2HD       HIP  15   3.927   8.846   6.026
  107    HE2  HIP  15          2HE       HIP  15   3.312   9.440   8.478
  108    HE1  HIP  15          1HE       HIP  15   5.307   9.094   9.995
  109    H    ALA  16           HN       ALA  16   7.695   6.088   7.111
  110    HA   ALA  16           HA       ALA  16   7.162   3.340   7.428
  111   1HB   ALA  16          2HB       ALA  16   8.865   5.052   8.604
  112   2HB   ALA  16          1HB       ALA  16   7.674   4.906   9.897
  113   3HB   ALA  16          3HB       ALA  16   8.487   3.466   9.280
  114    H    ARG  17           HN       ARG  17   5.343   6.099   8.796
  115    HA   ARG  17           HA       ARG  17   3.822   4.630  10.690
  116   1HB   ARG  17          2HB       ARG  17   3.498   7.208   9.278
  117   2HB   ARG  17          1HB       ARG  17   2.015   6.497   9.907
  118   1HG   ARG  17          2HG       ARG  17   3.552   6.117  12.057
  119   2HG   ARG  17          1HG       ARG  17   4.412   7.500  11.379
  120   1HD   ARG  17          2HD       ARG  17   1.425   7.428  11.896
  121   2HD   ARG  17          1HD       ARG  17   2.607   8.168  12.977
  122    HE   ARG  17           HE       ARG  17   3.189   9.532  10.770
  123   1HH1  ARG  17          HH21      ARG  17   0.801   8.652   9.278
  124   2HH1  ARG  17          HH22      ARG  17  -0.379   9.849   9.694
  125   1HH2  ARG  17          HH11      ARG  17   1.374  11.005  12.452
  126   2HH2  ARG  17          HH12      ARG  17  -0.055  11.182  11.491
  127    HA   PRO  18           HA       PRO  18   0.463   3.768   7.410
  128   1HB   PRO  18          2HB       PRO  18   1.007   4.385   4.781
  129   2HB   PRO  18          1HB       PRO  18   0.162   5.473   5.896
  130   1HG   PRO  18          2HG       PRO  18   2.999   5.582   4.948
  131   2HG   PRO  18          1HG       PRO  18   1.911   6.909   5.393
  132   1HD   PRO  18          2HD       PRO  18   3.933   5.924   7.038
  133   2HD   PRO  18          1HD       PRO  18   2.515   6.821   7.610
  134    H    ALA  19           HN       ALA  19   3.841   3.268   6.839
  135    HA   ALA  19           HA       ALA  19   3.546   0.969   5.072
  136   1HB   ALA  19          1HB       ALA  19   5.896   1.926   6.736
  137   2HB   ALA  19          3HB       ALA  19   5.967   0.643   5.528
  138   3HB   ALA  19          2HB       ALA  19   5.610   2.298   5.036
  139    H    THR  20           HN       THR  20   3.577   1.548   8.522
  140    HA   THR  20           HA       THR  20   4.010  -1.273   9.204
  141    HB   THR  20           HB       THR  20   2.898   0.711  11.153
  142    HG1  THR  20           HG1      THR  20   5.534   0.694  10.111
  143   1HG2  THR  20          3HG2      THR  20   4.648  -1.703  11.139
  144   2HG2  THR  20          2HG2      THR  20   4.945  -0.491  12.385
  145   3HG2  THR  20          1HG2      THR  20   3.361  -1.254  12.258
  146    H    VAL  21           HN       VAL  21   1.330   0.950   8.750
  147    HA   VAL  21           HA       VAL  21  -0.690  -0.771   9.934
  148    HB   VAL  21           HB       VAL  21  -1.102   1.378   7.865
  149   1HG1  VAL  21          1HG1      VAL  21  -2.834   0.093   9.984
  150   2HG1  VAL  21          3HG1      VAL  21  -3.275   1.603   9.185
  151   3HG1  VAL  21          2HG1      VAL  21  -3.102   0.123   8.241
  152   1HG2  VAL  21          2HG2      VAL  21  -0.376   1.543  10.752
  153   2HG2  VAL  21          1HG2      VAL  21  -0.028   2.672   9.443
  154   3HG2  VAL  21          3HG2      VAL  21  -1.629   2.647  10.183
  155    H    LEU  22           HN       LEU  22   0.604  -0.215   6.721
  156    HA   LEU  22           HA       LEU  22  -1.313  -1.907   5.359
  157   1HB   LEU  22          2HB       LEU  22   1.391  -0.817   4.541
  158   2HB   LEU  22          1HB       LEU  22   0.285  -1.651   3.450
  159    HG   LEU  22           HG       LEU  22  -0.531   0.789   5.042
  160   1HD1  LEU  22          2HD1      LEU  22   0.848   0.523   2.373
  161   2HD1  LEU  22          1HD1      LEU  22  -0.261   1.865   2.667
  162   3HD1  LEU  22          3HD1      LEU  22   1.171   1.668   3.677
  163   1HD2  LEU  22          1HD2      LEU  22  -2.072  -1.039   3.746
  164   2HD2  LEU  22          3HD2      LEU  22  -2.503   0.667   3.869
  165   3HD2  LEU  22          2HD2      LEU  22  -1.720   0.058   2.411
  166    H    VAL  23           HN       VAL  23   2.077  -2.345   6.419
  167    HA   VAL  23           HA       VAL  23   2.410  -4.971   5.367
  168    HB   VAL  23           HB       VAL  23   4.292  -3.597   6.190
  169   1HG1  VAL  23          2HG1      VAL  23   3.024  -2.684   8.169
  170   2HG1  VAL  23          1HG1      VAL  23   3.273  -4.234   8.971
  171   3HG1  VAL  23          3HG1      VAL  23   4.658  -3.229   8.545
  172   1HG2  VAL  23          3HG2      VAL  23   4.065  -6.295   6.353
  173   2HG2  VAL  23          2HG2      VAL  23   5.540  -5.426   6.781
  174   3HG2  VAL  23          1HG2      VAL  23   4.408  -5.918   8.042
  175    H    GLN  24           HN       GLN  24   0.808  -3.821   8.267
  176    HA   GLN  24           HA       GLN  24   0.647  -6.417   9.558
  177   1HB   GLN  24          2HB       GLN  24  -0.906  -3.846   9.958
  178   2HB   GLN  24          1HB       GLN  24  -1.098  -5.273  10.970
  179   1HG   GLN  24          2HG       GLN  24   1.706  -4.512  10.625
  180   2HG   GLN  24          1HG       GLN  24   0.748  -3.244  11.384
  181   1HE2  GLN  24          2HE2      GLN  24   1.997  -5.908  13.870
  182   2HE2  GLN  24          1HE2      GLN  24   2.808  -5.175  12.573
  183    H    THR  25           HN       THR  25  -1.450  -4.553   7.391
  184    HA   THR  25           HA       THR  25  -3.734  -6.293   7.593
  185    HB   THR  25           HB       THR  25  -3.004  -4.658   5.158
  186    HG1  THR  25           HG1      THR  25  -4.213  -3.797   7.574
  187   1HG2  THR  25          1HG2      THR  25  -5.480  -5.824   6.362
  188   2HG2  THR  25          3HG2      THR  25  -5.616  -4.309   5.468
  189   3HG2  THR  25          2HG2      THR  25  -4.985  -5.750   4.671
  190    H    ALA  26           HN       ALA  26  -1.360  -5.988   4.914
  191    HA   ALA  26           HA       ALA  26  -2.182  -8.330   3.533
  192   1HB   ALA  26          1HB       ALA  26   0.517  -6.959   3.648
  193   2HB   ALA  26          3HB       ALA  26   0.120  -8.254   2.518
  194   3HB   ALA  26          2HB       ALA  26  -0.747  -6.721   2.441
  195    H    SER  27           HN       SER  27  -0.294  -7.978   6.439
  196    HA   SER  27           HA       SER  27   1.236 -10.361   6.403
  197   1HB   SER  27          2HB       SER  27   1.497  -8.655   8.151
  198   2HB   SER  27          1HB       SER  27  -0.122  -9.003   8.754
  199    HG   SER  27           HG       SER  27   0.569 -11.064   9.305
  200    H    LYS  28           HN       LYS  28  -2.157  -9.826   7.294
  201    HA   LYS  28           HA       LYS  28  -2.622 -12.537   8.193
  202   1HB   LYS  28          2HB       LYS  28  -4.447 -10.282   7.334
  203   2HB   LYS  28          1HB       LYS  28  -5.071 -11.864   7.800
  204   1HG   LYS  28          2HG       LYS  28  -5.059 -11.035   9.913
  205   2HG   LYS  28          1HG       LYS  28  -3.321 -11.327   9.857
  206   1HD   LYS  28          2HD       LYS  28  -3.121  -8.985   8.824
  207   2HD   LYS  28          1HD       LYS  28  -4.794  -8.741   9.326
  208   1HE   LYS  28          2HE       LYS  28  -3.897  -9.625  11.651
  209   2HE   LYS  28          1HE       LYS  28  -2.342  -9.090  11.014
  210   1HZ   LYS  28          1HZ       LYS  28  -4.786  -7.411  11.175
  211   2HZ   LYS  28          3HZ       LYS  28  -3.489  -7.347  12.267
  212   3HZ   LYS  28          2HZ       LYS  28  -3.253  -6.906  10.643
  213    H    TYR  29           HN       TYR  29  -2.723 -10.907   5.080
  214    HA   TYR  29           HA       TYR  29  -3.941 -13.275   3.783
  215   1HB   TYR  29          2HB       TYR  29  -2.998 -10.663   2.549
  216   2HB   TYR  29          1HB       TYR  29  -3.978 -11.904   1.762
  217    HD1  TYR  29          2HD       TYR  29  -6.262 -12.458   2.708
  218    HD2  TYR  29          1HD       TYR  29  -4.003  -9.026   3.958
  219    HE1  TYR  29          2HE       TYR  29  -8.321 -11.445   3.648
  220    HE2  TYR  29          1HE       TYR  29  -6.063  -8.013   4.898
  221    HH   TYR  29           HH       TYR  29  -8.334  -8.968   5.798
  222    H    ASP  30           HN       ASP  30  -2.694 -14.850   2.934
  223    HA   ASP  30           HA       ASP  30   0.219 -14.548   2.885
  224   1HB   ASP  30          2HB       ASP  30  -1.496 -16.872   1.965
  225   2HB   ASP  30          1HB       ASP  30   0.240 -16.910   2.276
  226    H    ALA  31           HN       ALA  31  -2.076 -13.524   0.736
  227    HA   ALA  31           HA       ALA  31  -1.151 -14.522  -1.774
  228   1HB   ALA  31          2HB       ALA  31  -3.292 -13.222  -1.347
  229   2HB   ALA  31          1HB       ALA  31  -2.300 -11.766  -1.270
  230   3HB   ALA  31          3HB       ALA  31  -2.375 -12.703  -2.762
  231    H    ASP  32           HN       ASP  32  -0.228 -12.708  -3.407
  232    HA   ASP  32           HA       ASP  32   2.275 -11.702  -2.124
  233   1HB   ASP  32          2HB       ASP  32   1.663 -12.529  -4.973
  234   2HB   ASP  32          1HB       ASP  32   3.155 -11.712  -4.506
  235    H    VAL  33           HN       VAL  33   1.078  -9.767  -1.442
  236    HA   VAL  33           HA       VAL  33   0.138  -7.953  -3.577
  237    HB   VAL  33           HB       VAL  33  -0.512  -6.482  -1.690
  238   1HG1  VAL  33          3HG1      VAL  33  -1.383  -9.292  -1.993
  239   2HG1  VAL  33          2HG1      VAL  33  -1.844  -8.544  -0.463
  240   3HG1  VAL  33          1HG1      VAL  33  -2.339  -7.810  -1.990
  241   1HG2  VAL  33          3HG2      VAL  33   1.370  -8.197  -0.277
  242   2HG2  VAL  33          2HG2      VAL  33   0.675  -6.658   0.225
  243   3HG2  VAL  33          1HG2      VAL  33  -0.187  -8.159   0.548
  244    H    ASN  34           HN       ASN  34   1.704  -6.841  -4.641
  245    HA   ASN  34           HA       ASN  34   3.991  -5.765  -3.036
  246   1HB   ASN  34          2HB       ASN  34   3.927  -6.692  -5.921
  247   2HB   ASN  34          1HB       ASN  34   5.297  -5.870  -5.173
  248   1HD2  ASN  34          2HD2      ASN  34   5.584  -9.667  -4.872
  249   2HD2  ASN  34          1HD2      ASN  34   5.203  -8.680  -6.199
  250    H    LEU  35           HN       LEU  35   4.320  -3.590  -3.146
  251    HA   LEU  35           HA       LEU  35   2.437  -1.983  -4.775
  252   1HB   LEU  35          2HB       LEU  35   2.912  -1.531  -2.302
  253   2HB   LEU  35          1HB       LEU  35   4.505  -0.969  -2.809
  254    HG   LEU  35           HG       LEU  35   2.178   0.137  -4.295
  255   1HD1  LEU  35          2HD1      LEU  35   2.591   0.447  -1.365
  256   2HD1  LEU  35          1HD1      LEU  35   2.272   1.925  -2.272
  257   3HD1  LEU  35          3HD1      LEU  35   1.114   0.597  -2.315
  258   1HD2  LEU  35          1HD2      LEU  35   4.836   0.633  -4.298
  259   2HD2  LEU  35          3HD2      LEU  35   3.639   1.865  -4.697
  260   3HD2  LEU  35          2HD2      LEU  35   4.327   1.797  -3.075
  261    H    GLU  36           HN       GLU  36   3.255  -0.262  -6.170
  262    HA   GLU  36           HA       GLU  36   6.119  -0.563  -6.968
  263   1HB   GLU  36          2HB       GLU  36   4.605  -1.831  -8.527
  264   2HB   GLU  36          1HB       GLU  36   3.815  -0.304  -8.921
  265   1HG   GLU  36          2HG       GLU  36   5.727   0.565  -9.967
  266   2HG   GLU  36          1HG       GLU  36   6.805  -0.563  -9.145
  267    H    TYR  37           HN       TYR  37   7.132   1.383  -7.144
  268    HA   TYR  37           HA       TYR  37   5.707   3.786  -8.010
  269   1HB   TYR  37          2HB       TYR  37   5.116   3.613  -5.576
  270   2HB   TYR  37          1HB       TYR  37   6.835   3.705  -5.197
  271    HD1  TYR  37          1HD       TYR  37   4.458   5.510  -7.483
  272    HD2  TYR  37          2HD       TYR  37   7.559   5.807  -4.525
  273    HE1  TYR  37          1HE       TYR  37   4.362   7.983  -7.631
  274    HE2  TYR  37          2HE       TYR  37   7.462   8.281  -4.675
  275    HH   TYR  37           HH       TYR  37   6.717   9.982  -6.519
  276    H    ASN  38           HN       ASN  38   7.147   5.103  -9.034
  277    HA   ASN  38           HA       ASN  38   9.187   5.933  -9.838
  278   1HB   ASN  38          2HB       ASN  38   9.363   6.454  -7.322
  279   2HB   ASN  38          1HB       ASN  38  10.408   5.036  -7.225
  280   1HD2  ASN  38          2HD2      ASN  38  11.735   8.279  -9.392
  281   2HD2  ASN  38          1HD2      ASN  38  10.065   8.021  -9.235
  282    H    GLY  39           HN       GLY  39   8.527   3.258 -10.539
  283   1HA   GLY  39          2HA       GLY  39   9.522   1.363 -11.501
  284   2HA   GLY  39          1HA       GLY  39  11.009   2.309 -11.556
  285    H    LYS  40           HN       LYS  40   9.372   1.684  -8.527
  286    HA   LYS  40           HA       LYS  40  11.494  -0.299  -7.819
  287   1HB   LYS  40          2HB       LYS  40  10.372   1.882  -6.030
  288   2HB   LYS  40          1HB       LYS  40  11.599   0.700  -5.576
  289   1HG   LYS  40          2HG       LYS  40  12.239   2.183  -8.042
  290   2HG   LYS  40          1HG       LYS  40  12.125   3.204  -6.610
  291   1HD   LYS  40          2HD       LYS  40  13.576   0.745  -6.024
  292   2HD   LYS  40          1HD       LYS  40  14.317   1.616  -7.365
  293   1HE   LYS  40          2HE       LYS  40  13.829   3.682  -5.673
  294   2HE   LYS  40          1HE       LYS  40  14.092   2.383  -4.510
  295   1HZ   LYS  40          2HZ       LYS  40  16.146   1.845  -5.829
  296   2HZ   LYS  40          1HZ       LYS  40  15.930   3.329  -6.629
  297   3HZ   LYS  40          3HZ       LYS  40  16.193   3.302  -4.953
  298    H    THR  41           HN       THR  41  10.265  -2.158  -7.817
  299    HA   THR  41           HA       THR  41   7.577  -2.116  -6.576
  300    HB   THR  41           HB       THR  41   9.026  -4.429  -7.891
  301    HG1  THR  41           HG1      THR  41   7.187  -2.546  -8.949
  302   1HG2  THR  41          1HG2      THR  41   6.857  -4.554  -6.303
  303   2HG2  THR  41          3HG2      THR  41   6.064  -4.151  -7.827
  304   3HG2  THR  41          2HG2      THR  41   7.061  -5.600  -7.708
  305    H    VAL  42           HN       VAL  42   7.859  -2.082  -4.360
  306    HA   VAL  42           HA       VAL  42   9.647  -4.156  -3.166
  307    HB   VAL  42           HB       VAL  42   9.014  -2.821  -0.987
  308   1HG1  VAL  42          1HG1      VAL  42  11.199  -2.879  -2.624
  309   2HG1  VAL  42          3HG1      VAL  42  10.824  -1.154  -2.605
  310   3HG1  VAL  42          2HG1      VAL  42  11.116  -2.012  -1.090
  311   1HG2  VAL  42          1HG2      VAL  42   7.362  -1.394  -2.400
  312   2HG2  VAL  42          3HG2      VAL  42   8.398  -0.561  -1.241
  313   3HG2  VAL  42          2HG2      VAL  42   8.805  -0.546  -2.957
  314    H    ASN  43           HN       ASN  43   8.805  -5.617  -1.649
  315    HA   ASN  43           HA       ASN  43   6.037  -6.369  -1.995
  316   1HB   ASN  43          2HB       ASN  43   7.999  -7.890  -1.328
  317   2HB   ASN  43          1HB       ASN  43   7.841  -7.206   0.290
  318   1HD2  ASN  43          2HD2      ASN  43   5.684 -10.105   0.579
  319   2HD2  ASN  43          1HD2      ASN  43   7.315  -9.652   0.711
  320    H    LEU  44           HN       LEU  44   4.275  -5.960  -0.581
  321    HA   LEU  44           HA       LEU  44   4.385  -3.541   0.937
  322   1HB   LEU  44          2HB       LEU  44   2.295  -4.593  -0.025
  323   2HB   LEU  44          1HB       LEU  44   2.338  -5.720   1.336
  324    HG   LEU  44           HG       LEU  44   2.628  -3.496   2.741
  325   1HD1  LEU  44          1HD1      LEU  44   1.362  -2.584   0.166
  326   2HD1  LEU  44          3HD1      LEU  44   1.192  -1.700   1.685
  327   3HD1  LEU  44          2HD1      LEU  44   2.791  -1.930   0.973
  328   1HD2  LEU  44          2HD2      LEU  44   0.765  -5.218   2.709
  329   2HD2  LEU  44          1HD2      LEU  44   0.326  -3.597   3.230
  330   3HD2  LEU  44          3HD2      LEU  44  -0.079  -4.135   1.600
  331    H    LYS  45           HN       LYS  45   5.412  -6.719   1.763
  332    HA   LYS  45           HA       LYS  45   5.118  -6.261   4.661
  333   1HB   LYS  45          2HB       LYS  45   6.422  -8.497   3.071
  334   2HB   LYS  45          1HB       LYS  45   6.308  -8.463   4.828
  335   1HG   LYS  45          2HG       LYS  45   4.245  -9.353   4.706
  336   2HG   LYS  45          1HG       LYS  45   3.693  -7.937   3.816
  337   1HD   LYS  45          2HD       LYS  45   4.474  -8.978   1.703
  338   2HD   LYS  45          1HD       LYS  45   4.972 -10.407   2.606
  339   1HE   LYS  45          2HE       LYS  45   2.403 -10.151   3.472
  340   2HE   LYS  45          1HE       LYS  45   2.257  -9.516   1.833
  341   1HZ   LYS  45          3HZ       LYS  45   3.311 -11.520   0.996
  342   2HZ   LYS  45          2HZ       LYS  45   3.453 -12.130   2.576
  343   3HZ   LYS  45          1HZ       LYS  45   1.918 -11.904   1.884
  344    H    SER  46           HN       SER  46   6.539  -4.184   3.582
  345    HA   SER  46           HA       SER  46   9.221  -4.616   4.753
  346   1HB   SER  46          2HB       SER  46   9.451  -5.163   2.312
  347   2HB   SER  46          1HB       SER  46   8.900  -3.534   1.927
  348    HG   SER  46           HG       SER  46  11.233  -3.843   2.055
  349    H    ILE  47           HN       ILE  47   8.819  -3.090   6.326
  350    HA   ILE  47           HA       ILE  47   7.570  -0.527   5.705
  351    HB   ILE  47           HB       ILE  47   9.037  -1.335   8.225
  352   1HG1  ILE  47          2HG1      ILE  47   6.130  -1.726   7.412
  353   2HG1  ILE  47          1HG1      ILE  47   7.313  -3.000   7.688
  354   1HG2  ILE  47          2HG2      ILE  47   8.363   1.120   7.670
  355   2HG2  ILE  47          1HG2      ILE  47   6.711   0.566   7.952
  356   3HG2  ILE  47          3HG2      ILE  47   7.908   0.466   9.244
  357   1HD1  ILE  47          1HD1      ILE  47   7.556  -1.850  10.052
  358   2HD1  ILE  47          3HD1      ILE  47   5.947  -1.231   9.683
  359   3HD1  ILE  47          2HD1      ILE  47   6.230  -2.970   9.744
  360    H    MET  48           HN       MET  48  10.854  -1.672   6.401
  361    HA   MET  48           HA       MET  48  12.027   0.987   6.295
  362   1HB   MET  48          2HB       MET  48  13.001  -1.002   7.523
  363   2HB   MET  48          1HB       MET  48  13.446  -1.665   5.950
  364   1HG   MET  48          2HG       MET  48  14.950   0.101   5.500
  365   2HG   MET  48          1HG       MET  48  14.249   1.131   6.749
  366   1HE   MET  48          2HE       MET  48  17.260   0.155   5.990
  367   2HE   MET  48          1HE       MET  48  17.037   1.411   7.205
  368   3HE   MET  48          3HE       MET  48  18.043   0.000   7.560
  369    H    GLY  49           HN       GLY  49  11.074  -1.321   3.894
  370   1HA   GLY  49          2HA       GLY  49  12.939  -0.257   1.868
  371   2HA   GLY  49          1HA       GLY  49  11.769  -1.553   1.619
  372    H    VAL  50           HN       VAL  50   9.417  -0.300   2.480
  373    HA   VAL  50           HA       VAL  50   8.656   1.176   0.164
  374    HB   VAL  50           HB       VAL  50   7.313   1.173   2.886
  375   1HG1  VAL  50          2HG1      VAL  50   6.498   2.924   1.338
  376   2HG1  VAL  50          1HG1      VAL  50   6.227   1.696   0.101
  377   3HG1  VAL  50          3HG1      VAL  50   5.279   1.674   1.588
  378   1HG2  VAL  50          1HG2      VAL  50   7.861  -1.052   1.468
  379   2HG2  VAL  50          3HG2      VAL  50   6.358  -0.856   2.370
  380   3HG2  VAL  50          2HG2      VAL  50   6.391  -0.549   0.633
  381    H    VAL  51           HN       VAL  51   9.971   2.206   3.254
  382    HA   VAL  51           HA       VAL  51   9.323   5.021   2.882
  383    HB   VAL  51           HB       VAL  51  11.418   3.768   4.685
  384   1HG1  VAL  51          1HG1      VAL  51  10.253   6.500   4.352
  385   2HG1  VAL  51          3HG1      VAL  51  10.599   5.951   5.992
  386   3HG1  VAL  51          2HG1      VAL  51  11.892   6.026   4.796
  387   1HG2  VAL  51          3HG2      VAL  51   8.906   3.022   4.859
  388   2HG2  VAL  51          2HG2      VAL  51   9.765   3.491   6.326
  389   3HG2  VAL  51          1HG2      VAL  51   8.665   4.628   5.547
  390    H    SER  52           HN       SER  52  12.003   2.906   2.052
  391    HA   SER  52           HA       SER  52  13.963   4.900   1.476
  392   1HB   SER  52          2HB       SER  52  15.131   3.186   0.290
  393   2HB   SER  52          1HB       SER  52  14.299   2.370   1.611
  394    HG   SER  52           HG       SER  52  14.085   1.927  -0.989
  395    H    LEU  53           HN       LEU  53  11.147   3.809  -0.293
  396    HA   LEU  53           HA       LEU  53  11.861   4.724  -2.901
  397   1HB   LEU  53          2HB       LEU  53   9.253   4.262  -1.474
  398   2HB   LEU  53          1HB       LEU  53   9.260   5.023  -3.065
  399    HG   LEU  53           HG       LEU  53  10.961   2.927  -3.496
  400   1HD1  LEU  53          1HD1      LEU  53  10.202   2.237  -1.062
  401   2HD1  LEU  53          3HD1      LEU  53   8.761   1.659  -1.897
  402   3HD1  LEU  53          2HD1      LEU  53  10.345   1.013  -2.323
  403   1HD2  LEU  53          3HD2      LEU  53   7.933   2.933  -3.718
  404   2HD2  LEU  53          2HD2      LEU  53   9.063   3.559  -4.917
  405   3HD2  LEU  53          1HD2      LEU  53   9.006   1.830  -4.577
  406    H    GLY  54           HN       GLY  54   9.973   6.364  -0.337
  407   1HA   GLY  54          2HA       GLY  54  10.210   8.693   0.233
  408   2HA   GLY  54          1HA       GLY  54  11.022   8.962  -1.309
  409    H    ILE  55           HN       ILE  55   7.851   7.585  -0.362
  410    HA   ILE  55           HA       ILE  55   6.556   8.810  -2.673
  411    HB   ILE  55           HB       ILE  55   5.277   7.513  -0.246
  412   1HG1  ILE  55          2HG1      ILE  55   5.908   6.194  -2.894
  413   2HG1  ILE  55          1HG1      ILE  55   7.023   6.126  -1.529
  414   1HG2  ILE  55          3HG2      ILE  55   4.331   8.480  -2.902
  415   2HG2  ILE  55          2HG2      ILE  55   3.647   6.967  -2.311
  416   3HG2  ILE  55          1HG2      ILE  55   3.487   8.441  -1.355
  417   1HD1  ILE  55          2HD1      ILE  55   4.120   5.299  -1.318
  418   2HD1  ILE  55          1HD1      ILE  55   5.412   4.165  -1.711
  419   3HD1  ILE  55          3HD1      ILE  55   5.413   4.998  -0.156
  420    H    ALA  56           HN       ALA  56   4.791  10.380  -2.487
  421    HA   ALA  56           HA       ALA  56   4.597  11.915   0.023
  422   1HB   ALA  56          2HB       ALA  56   6.410  12.703  -1.998
  423   2HB   ALA  56          1HB       ALA  56   5.038  13.803  -2.127
  424   3HB   ALA  56          3HB       ALA  56   5.900  13.644  -0.597
  425    H    LYS  57           HN       LYS  57   3.201  14.086  -0.815
  426    HA   LYS  57           HA       LYS  57   0.625  12.985  -1.488
  427   1HB   LYS  57          2HB       LYS  57  -0.073  15.392  -1.621
  428   2HB   LYS  57          1HB       LYS  57   0.770  14.991  -0.125
  429   1HG   LYS  57          2HG       LYS  57   2.769  16.039  -0.829
  430   2HG   LYS  57          1HG       LYS  57   2.261  16.063  -2.518
  431   1HD   LYS  57          2HD       LYS  57   0.564  17.507  -0.525
  432   2HD   LYS  57          1HD       LYS  57   2.093  18.247  -1.002
  433   1HE   LYS  57          2HE       LYS  57   0.385  17.171  -3.191
  434   2HE   LYS  57          1HE       LYS  57  -0.180  18.636  -2.387
  435   1HZ   LYS  57          2HZ       LYS  57   2.254  19.393  -2.715
  436   2HZ   LYS  57          1HZ       LYS  57   2.291  18.198  -3.920
  437   3HZ   LYS  57          3HZ       LYS  57   1.176  19.470  -4.025
  438    H    GLY  58           HN       GLY  58  -0.522  13.100  -3.439
  439   1HA   GLY  58          2HA       GLY  58  -0.866  13.366  -5.754
  440   2HA   GLY  58          1HA       GLY  58   0.485  14.502  -5.770
  441    H    ALA  59           HN       ALA  59   0.161  11.015  -5.015
  442    HA   ALA  59           HA       ALA  59   2.250  10.482  -7.083
  443   1HB   ALA  59          2HB       ALA  59   2.187   9.598  -4.199
  444   2HB   ALA  59          1HB       ALA  59   3.049   8.655  -5.416
  445   3HB   ALA  59          3HB       ALA  59   3.518  10.326  -5.099
  446    H    GLU  60           HN       GLU  60   2.154   8.296  -7.947
  447    HA   GLU  60           HA       GLU  60  -0.518   7.009  -7.543
  448   1HB   GLU  60          2HB       GLU  60   1.223   6.968 -10.028
  449   2HB   GLU  60          1HB       GLU  60  -0.386   6.263  -9.869
  450   1HG   GLU  60          2HG       GLU  60  -0.915   8.307 -10.837
  451   2HG   GLU  60          1HG       GLU  60  -1.038   8.718  -9.126
  452    H    ILE  61           HN       ILE  61  -0.382   5.044  -6.601
  453    HA   ILE  61           HA       ILE  61   2.161   3.497  -6.917
  454    HB   ILE  61           HB       ILE  61   1.567   2.471  -4.694
  455   1HG1  ILE  61          2HG1      ILE  61  -0.488   4.712  -4.650
  456   2HG1  ILE  61          1HG1      ILE  61  -0.867   2.998  -4.800
  457   1HG2  ILE  61          3HG2      ILE  61   3.127   4.454  -5.025
  458   2HG2  ILE  61          2HG2      ILE  61   1.774   5.490  -4.568
  459   3HG2  ILE  61          1HG2      ILE  61   2.415   4.317  -3.416
  460   1HD1  ILE  61          3HD1      ILE  61   0.867   3.311  -2.546
  461   2HD1  ILE  61          2HD1      ILE  61  -0.421   4.506  -2.410
  462   3HD1  ILE  61          1HD1      ILE  61  -0.818   2.795  -2.560
  463    H    THR  62           HN       THR  62   1.961   1.458  -7.745
  464    HA   THR  62           HA       THR  62  -0.803   0.489  -8.305
  465    HB   THR  62           HB       THR  62   1.672  -0.682  -9.546
  466    HG1  THR  62           HG1      THR  62   1.382   0.935 -11.191
  467   1HG2  THR  62          1HG2      THR  62  -1.254  -0.532 -10.089
  468   2HG2  THR  62          3HG2      THR  62  -0.175  -0.562 -11.483
  469   3HG2  THR  62          2HG2      THR  62  -0.137  -1.879 -10.311
  470    H    ILE  63           HN       ILE  63  -1.529  -1.118  -7.030
  471    HA   ILE  63           HA       ILE  63   0.468  -2.895  -5.693
  472    HB   ILE  63           HB       ILE  63  -2.388  -2.221  -4.905
  473   1HG1  ILE  63          2HG1      ILE  63   0.255  -1.467  -3.619
  474   2HG1  ILE  63          1HG1      ILE  63  -0.720  -0.384  -4.611
  475   1HG2  ILE  63          3HG2      ILE  63  -0.313  -4.088  -3.765
  476   2HG2  ILE  63          2HG2      ILE  63  -1.537  -3.362  -2.723
  477   3HG2  ILE  63          1HG2      ILE  63  -2.024  -4.390  -4.071
  478   1HD1  ILE  63          1HD1      ILE  63  -2.607  -1.221  -2.859
  479   2HD1  ILE  63          3HD1      ILE  63  -1.176  -1.327  -1.834
  480   3HD1  ILE  63          2HD1      ILE  63  -1.609   0.207  -2.588
  481    H    SER  64           HN       SER  64   0.078  -5.173  -5.747
  482    HA   SER  64           HA       SER  64  -2.218  -6.166  -7.317
  483   1HB   SER  64          2HB       SER  64  -0.508  -7.565  -8.692
  484   2HB   SER  64          1HB       SER  64  -0.777  -5.885  -9.150
  485    HG   SER  64           HG       SER  64   1.377  -6.017  -8.989
  486    H    ALA  65           HN       ALA  65  -2.992  -7.702  -5.969
  487    HA   ALA  65           HA       ALA  65  -1.140  -9.283  -4.276
  488   1HB   ALA  65          1HB       ALA  65  -3.465  -8.258  -3.580
  489   2HB   ALA  65          3HB       ALA  65  -4.119  -9.692  -4.373
  490   3HB   ALA  65          2HB       ALA  65  -3.018  -9.865  -3.006
  491    H    SER  66           HN       SER  66  -0.545 -11.350  -4.832
  492    HA   SER  66           HA       SER  66  -2.204 -12.817  -6.824
  493   1HB   SER  66          2HB       SER  66   0.374 -11.674  -7.319
  494   2HB   SER  66          1HB       SER  66   0.537 -13.426  -7.343
  495    HG   SER  66           HG       SER  66  -0.711 -11.749  -9.095
  496    H    GLY  67           HN       GLY  67  -2.876 -14.493  -5.539
  497   1HA   GLY  67          2HA       GLY  67  -1.174 -16.631  -4.856
  498   2HA   GLY  67          1HA       GLY  67  -1.327 -15.637  -3.406
  499    H    ALA  68           HN       ALA  68  -2.690 -16.827  -2.124
  500    HA   ALA  68           HA       ALA  68  -5.010 -18.222  -3.246
  501   1HB   ALA  68          3HB       ALA  68  -3.834 -17.899  -0.495
  502   2HB   ALA  68          2HB       ALA  68  -5.462 -18.550  -0.691
  503   3HB   ALA  68          1HB       ALA  68  -4.087 -19.377  -1.425
  504    H    ASP  69           HN       ASP  69  -4.895 -15.983  -0.466
  505    HA   ASP  69           HA       ASP  69  -7.563 -14.969  -1.233
  506   1HB   ASP  69          2HB       ASP  69  -7.393 -13.733   0.960
  507   2HB   ASP  69          1HB       ASP  69  -7.284 -15.484   1.111
  508    H    GLU  70           HN       GLU  70  -5.845 -14.193  -3.151
  509    HA   GLU  70           HA       GLU  70  -4.479 -11.707  -2.664
  510   1HB   GLU  70          2HB       GLU  70  -4.502 -11.497  -5.156
  511   2HB   GLU  70          1HB       GLU  70  -3.912 -13.065  -4.604
  512   1HG   GLU  70          2HG       GLU  70  -5.986 -14.135  -5.125
  513   2HG   GLU  70          1HG       GLU  70  -6.806 -12.589  -5.346
  514    H    ASN  71           HN       ASN  71  -7.804 -12.523  -3.430
  515    HA   ASN  71           HA       ASN  71  -8.563  -9.809  -4.178
  516   1HB   ASN  71          2HB       ASN  71 -10.317 -12.129  -3.312
  517   2HB   ASN  71          1HB       ASN  71 -10.850 -10.673  -4.152
  518   1HD2  ASN  71          2HD2      ASN  71  -9.225 -11.666  -7.261
  519   2HD2  ASN  71          1HD2      ASN  71  -9.454 -10.284  -6.303
  520    H    ASP  72           HN       ASP  72  -8.616 -11.758  -1.231
  521    HA   ASP  72           HA       ASP  72 -10.130  -9.796   0.301
  522   1HB   ASP  72          2HB       ASP  72  -8.377 -12.038   1.345
  523   2HB   ASP  72          1HB       ASP  72  -9.675 -11.213   2.208
  524    H    ALA  73           HN       ALA  73  -6.785 -10.192  -0.557
  525    HA   ALA  73           HA       ALA  73  -5.771  -8.608   1.684
  526   1HB   ALA  73          1HB       ALA  73  -4.401 -10.361   0.544
  527   2HB   ALA  73          3HB       ALA  73  -4.383  -9.351  -0.902
  528   3HB   ALA  73          2HB       ALA  73  -3.618  -8.780   0.580
  529    H    LEU  74           HN       LEU  74  -6.361  -8.051  -1.800
  530    HA   LEU  74           HA       LEU  74  -5.360  -5.368  -1.802
  531   1HB   LEU  74          2HB       LEU  74  -6.514  -5.120  -3.950
  532   2HB   LEU  74          1HB       LEU  74  -5.682  -6.668  -3.869
  533    HG   LEU  74           HG       LEU  74  -8.044  -7.478  -2.934
  534   1HD1  LEU  74          1HD1      LEU  74  -8.641  -4.838  -3.507
  535   2HD1  LEU  74          3HD1      LEU  74  -9.177  -5.669  -4.968
  536   3HD1  LEU  74          2HD1      LEU  74  -9.827  -6.139  -3.398
  537   1HD2  LEU  74          1HD2      LEU  74  -7.340  -6.987  -5.840
  538   2HD2  LEU  74          3HD2      LEU  74  -6.948  -8.419  -4.889
  539   3HD2  LEU  74          2HD2      LEU  74  -8.627  -8.066  -5.301
  540    H    ASN  75           HN       ASN  75  -8.668  -6.634  -1.324
  541    HA   ASN  75           HA       ASN  75  -9.783  -3.960  -1.042
  542   1HB   ASN  75          2HB       ASN  75 -11.843  -5.117  -0.330
  543   2HB   ASN  75          1HB       ASN  75 -11.196  -5.826  -1.807
  544   1HD2  ASN  75          2HD2      ASN  75 -12.019  -8.623   0.524
  545   2HD2  ASN  75          1HD2      ASN  75 -12.905  -7.393  -0.238
  546    H    ALA  76           HN       ALA  76  -8.198  -6.216   1.082
  547    HA   ALA  76           HA       ALA  76  -9.265  -5.242   3.573
  548   1HB   ALA  76          1HB       ALA  76  -6.615  -6.562   2.906
  549   2HB   ALA  76          3HB       ALA  76  -7.178  -6.247   4.547
  550   3HB   ALA  76          2HB       ALA  76  -8.068  -7.359   3.509
  551    H    LEU  77           HN       LEU  77  -6.123  -4.585   1.963
  552    HA   LEU  77           HA       LEU  77  -5.426  -2.401   3.676
  553   1HB   LEU  77          2HB       LEU  77  -4.558  -2.850   0.810
  554   2HB   LEU  77          1HB       LEU  77  -3.715  -1.892   2.027
  555    HG   LEU  77           HG       LEU  77  -4.216  -4.546   3.071
  556   1HD1  LEU  77          2HD1      LEU  77  -4.045  -4.757   0.390
  557   2HD1  LEU  77          1HD1      LEU  77  -2.326  -4.745   0.786
  558   3HD1  LEU  77          3HD1      LEU  77  -3.385  -5.970   1.487
  559   1HD2  LEU  77          3HD2      LEU  77  -1.702  -3.021   2.325
  560   2HD2  LEU  77          2HD2      LEU  77  -2.479  -3.057   3.907
  561   3HD2  LEU  77          1HD2      LEU  77  -1.722  -4.513   3.264
  562    H    GLU  78           HN       GLU  78  -7.351  -2.610   0.729
  563    HA   GLU  78           HA       GLU  78  -7.397   0.137   0.008
  564   1HB   GLU  78          2HB       GLU  78  -8.340  -1.710  -1.374
  565   2HB   GLU  78          1HB       GLU  78  -9.665  -1.862  -0.224
  566   1HG   GLU  78          2HG       GLU  78  -9.720   0.830  -0.763
  567   2HG   GLU  78          1HG       GLU  78  -9.218   0.168  -2.318
  568    H    GLU  79           HN       GLU  79  -9.722  -1.633   2.099
  569    HA   GLU  79           HA       GLU  79 -11.246   0.672   2.814
  570   1HB   GLU  79          2HB       GLU  79 -12.020  -0.716   4.741
  571   2HB   GLU  79          1HB       GLU  79 -12.106  -1.575   3.203
  572   1HG   GLU  79          2HG       GLU  79 -10.214  -2.890   3.689
  573   2HG   GLU  79          1HG       GLU  79  -9.669  -1.797   4.961
  574    H    THR  80           HN       THR  80  -8.193  -0.580   3.998
  575    HA   THR  80           HA       THR  80  -8.133   0.923   6.466
  576    HB   THR  80           HB       THR  80  -5.779  -0.010   4.795
  577    HG1  THR  80           HG1      THR  80  -7.202  -1.348   6.851
  578   1HG2  THR  80          2HG2      THR  80  -5.642   1.622   6.885
  579   2HG2  THR  80          1HG2      THR  80  -5.831   0.115   7.781
  580   3HG2  THR  80          3HG2      THR  80  -4.473   0.319   6.673
  581    H    MET  81           HN       MET  81  -7.275   1.600   3.126
  582    HA   MET  81           HA       MET  81  -5.879   4.080   3.639
  583   1HB   MET  81          2HB       MET  81  -7.095   2.765   1.221
  584   2HB   MET  81          1HB       MET  81  -6.578   4.446   1.129
  585   1HG   MET  81          2HG       MET  81  -4.427   3.216   2.377
  586   2HG   MET  81          1HG       MET  81  -4.964   1.990   1.230
  587   1HE   MET  81          2HE       MET  81  -2.848   1.984   0.250
  588   2HE   MET  81          1HE       MET  81  -3.841   1.992  -1.205
  589   3HE   MET  81          3HE       MET  81  -2.382   2.988  -1.120
  590    H    LYS  82           HN       LYS  82  -9.235   3.165   3.140
  591    HA   LYS  82           HA       LYS  82 -10.195   5.898   2.816
  592   1HB   LYS  82          2HB       LYS  82 -11.495   3.208   3.204
  593   2HB   LYS  82          1HB       LYS  82 -12.451   4.687   3.315
  594   1HG   LYS  82          2HG       LYS  82 -12.282   5.126   1.078
  595   2HG   LYS  82          1HG       LYS  82 -10.633   4.508   0.976
  596   1HD   LYS  82          2HD       LYS  82 -11.378   2.246   0.880
  597   2HD   LYS  82          1HD       LYS  82 -13.013   2.687   1.378
  598   1HE   LYS  82          2HE       LYS  82 -11.686   3.496  -1.227
  599   2HE   LYS  82          1HE       LYS  82 -12.926   2.255  -1.049
  600   1HZ   LYS  82          2HZ       LYS  82 -14.240   4.160   0.071
  601   2HZ   LYS  82          1HZ       LYS  82 -13.166   5.172  -0.771
  602   3HZ   LYS  82          3HZ       LYS  82 -14.155   4.092  -1.625
  603    H    SER  83           HN       SER  83  -9.644   3.707   5.498
  604    HA   SER  83           HA       SER  83 -11.240   5.228   7.405
  605   1HB   SER  83          2HB       SER  83  -9.782   3.801   9.051
  606   2HB   SER  83          1HB       SER  83 -10.981   2.993   8.047
  607    HG   SER  83           HG       SER  83  -8.810   2.059   8.052
  608    H    GLU  84           HN       GLU  84  -7.712   4.604   7.347
  609    HA   GLU  84           HA       GLU  84  -7.057   6.789   9.061
  610   1HB   GLU  84          2HB       GLU  84  -5.457   5.203   7.048
  611   2HB   GLU  84          1HB       GLU  84  -4.734   6.507   7.988
  612   1HG   GLU  84          2HG       GLU  84  -6.322   4.419   9.431
  613   2HG   GLU  84          1HG       GLU  84  -4.693   4.014   8.890
  614    H    GLY  85           HN       GLY  85  -7.601   6.608   5.599
  615   1HA   GLY  85          2HA       GLY  85  -8.071   8.438   4.155
  616   2HA   GLY  85          1HA       GLY  85  -7.600   9.544   5.448
  617    H    LEU  86           HN       LEU  86  -5.646   6.839   4.295
  618    HA   LEU  86           HA       LEU  86  -3.391   8.652   3.830
  619   1HB   LEU  86          2HB       LEU  86  -3.663   5.661   3.417
  620   2HB   LEU  86          1HB       LEU  86  -2.155   6.571   3.313
  621    HG   LEU  86           HG       LEU  86  -3.929   6.475   5.771
  622   1HD1  LEU  86          3HD1      LEU  86  -1.554   4.862   4.889
  623   2HD1  LEU  86          2HD1      LEU  86  -1.808   5.180   6.605
  624   3HD1  LEU  86          1HD1      LEU  86  -3.036   4.318   5.675
  625   1HD2  LEU  86          2HD2      LEU  86  -1.187   7.637   5.192
  626   2HD2  LEU  86          1HD2      LEU  86  -2.630   8.508   5.713
  627   3HD2  LEU  86          3HD2      LEU  86  -1.813   7.408   6.825
  628    H    GLY  87           HN       GLY  87  -5.559   6.628   1.880
  629   1HA   GLY  87          2HA       GLY  87  -5.127   8.313  -0.457
  630   2HA   GLY  87          1HA       GLY  87  -4.405   6.712  -0.631
  631    H    GLU  88           HN       GLU  88  -6.140   6.771  -2.445
  632    HA   GLU  88           HA       GLU  88  -8.673   5.638  -1.327
  633   1HB   GLU  88          2HB       GLU  88  -9.832   6.604  -3.331
  634   2HB   GLU  88          1HB       GLU  88  -9.181   7.832  -2.245
  635   1HG   GLU  88          2HG       GLU  88  -7.152   7.985  -3.686
  636   2HG   GLU  88          1HG       GLU  88  -7.892   6.837  -4.802
   
  No H/Q in entry =         636
  Start of MODEL    5
    1   1H    ALA   2          3HT       ALA   2  -4.879  -9.959 -10.144
    2   2H    ALA   2          2HT       ALA   2  -6.332 -10.841 -10.154
    3   3H    ALA   2          1HT       ALA   2  -6.287  -9.265 -10.784
    4    HA   ALA   2           HA       ALA   2  -7.268  -8.977  -8.714
    5   1HB   ALA   2          2HB       ALA   2  -5.135 -10.883  -7.705
    6   2HB   ALA   2          1HB       ALA   2  -6.289 -10.038  -6.672
    7   3HB   ALA   2          3HB       ALA   2  -6.861 -11.220  -7.850
    8    H    GLN   3           HN       GLN   3  -6.513  -6.857  -9.163
    9    HA   GLN   3           HA       GLN   3  -4.423  -5.900  -7.386
   10   1HB   GLN   3          2HB       GLN   3  -3.036  -4.899  -9.248
   11   2HB   GLN   3          1HB       GLN   3  -2.931  -6.653  -9.127
   12   1HG   GLN   3          2HG       GLN   3  -4.796  -6.751 -10.870
   13   2HG   GLN   3          1HG       GLN   3  -4.525  -5.026 -11.116
   14   1HE2  GLN   3          2HE2      GLN   3  -2.337  -6.526 -13.622
   15   2HE2  GLN   3          1HE2      GLN   3  -3.978  -6.165 -13.387
   16    H    LYS   4           HN       LYS   4  -4.429  -3.581  -7.260
   17    HA   LYS   4           HA       LYS   4  -6.407  -2.161  -8.960
   18   1HB   LYS   4          2HB       LYS   4  -7.189  -3.088  -6.501
   19   2HB   LYS   4          1HB       LYS   4  -6.601  -1.477  -6.090
   20   1HG   LYS   4          2HG       LYS   4  -8.017  -0.885  -8.318
   21   2HG   LYS   4          1HG       LYS   4  -8.937  -2.275  -7.743
   22   1HD   LYS   4          2HD       LYS   4  -8.969  -1.153  -5.457
   23   2HD   LYS   4          1HD       LYS   4  -8.345   0.291  -6.255
   24   1HE   LYS   4          2HE       LYS   4 -10.901  -1.149  -7.026
   25   2HE   LYS   4          1HE       LYS   4 -10.825   0.330  -6.069
   26   1HZ   LYS   4          2HZ       LYS   4  -9.536   1.294  -7.991
   27   2HZ   LYS   4          1HZ       LYS   4 -10.029  -0.059  -8.892
   28   3HZ   LYS   4          3HZ       LYS   4 -11.188   1.011  -8.267
   29    H    THR   5           HN       THR   5  -6.024   0.103  -9.073
   30    HA   THR   5           HA       THR   5  -3.308   0.895  -8.152
   31    HB   THR   5           HB       THR   5  -5.143   2.301 -10.115
   32    HG1  THR   5           HG1      THR   5  -4.478   0.199 -10.786
   33   1HG2  THR   5          3HG2      THR   5  -3.123   3.444  -8.837
   34   2HG2  THR   5          2HG2      THR   5  -2.162   2.565 -10.026
   35   3HG2  THR   5          1HG2      THR   5  -3.374   3.731 -10.559
   36    H    PHE   6           HN       PHE   6  -3.204   2.084  -6.329
   37    HA   PHE   6           HA       PHE   6  -5.607   3.599  -5.446
   38   1HB   PHE   6          2HB       PHE   6  -3.063   2.777  -4.021
   39   2HB   PHE   6          1HB       PHE   6  -4.300   3.799  -3.291
   40    HD1  PHE   6          1HD       PHE   6  -3.698   0.455  -4.821
   41    HD2  PHE   6          2HD       PHE   6  -6.293   2.868  -2.393
   42    HE1  PHE   6          1HE       PHE   6  -5.006  -1.563  -4.213
   43    HE2  PHE   6          2HE       PHE   6  -7.598   0.850  -1.787
   44    HZ   PHE   6           HZ       PHE   6  -6.958  -1.365  -2.695
   45    H    LYS   7           HN       LYS   7  -5.220   5.808  -4.554
   46    HA   LYS   7           HA       LYS   7  -3.096   7.216  -6.118
   47   1HB   LYS   7          2HB       LYS   7  -5.707   7.692  -6.346
   48   2HB   LYS   7          1HB       LYS   7  -5.411   8.682  -4.916
   49   1HG   LYS   7          2HG       LYS   7  -5.113  10.071  -6.887
   50   2HG   LYS   7          1HG       LYS   7  -3.538   9.803  -6.144
   51   1HD   LYS   7          2HD       LYS   7  -2.772   8.918  -8.065
   52   2HD   LYS   7          1HD       LYS   7  -3.997   7.654  -7.977
   53   1HE   LYS   7          2HE       LYS   7  -4.747   8.582  -9.917
   54   2HE   LYS   7          1HE       LYS   7  -5.501   9.761  -8.844
   55   1HZ   LYS   7          1HZ       LYS   7  -3.222  10.928  -9.006
   56   2HZ   LYS   7          3HZ       LYS   7  -3.019   9.998 -10.410
   57   3HZ   LYS   7          2HZ       LYS   7  -4.322  11.083 -10.292
   58    H    VAL   8           HN       VAL   8  -1.596   8.406  -5.002
   59    HA   VAL   8           HA       VAL   8  -1.669   8.259  -2.052
   60    HB   VAL   8           HB       VAL   8   0.482   9.437  -3.836
   61   1HG1  VAL   8          2HG1      VAL   8   0.260   9.815  -1.221
   62   2HG1  VAL   8          1HG1      VAL   8   0.921   8.180  -1.150
   63   3HG1  VAL   8          3HG1      VAL   8   1.831   9.465  -1.945
   64   1HG2  VAL   8          2HG2      VAL   8  -0.184   6.619  -3.078
   65   2HG2  VAL   8          1HG2      VAL   8   0.521   7.240  -4.570
   66   3HG2  VAL   8          3HG2      VAL   8   1.518   7.078  -3.124
   67    H    THR   9           HN       THR   9  -2.908   9.841  -1.140
   68    HA   THR   9           HA       THR   9  -2.505  12.639  -2.121
   69    HB   THR   9           HB       THR   9  -5.016  11.768  -0.719
   70    HG1  THR   9           HG1      THR   9  -4.508  11.604  -3.504
   71   1HG2  THR   9          1HG2      THR   9  -4.047  14.041  -2.375
   72   2HG2  THR   9          3HG2      THR   9  -5.731  13.564  -2.591
   73   3HG2  THR   9          2HG2      THR   9  -5.148  14.040  -0.997
   74    H    ALA  10           HN       ALA  10  -1.868  10.591   0.445
   75    HA   ALA  10           HA       ALA  10  -2.574  12.162   2.720
   76   1HB   ALA  10          3HB       ALA  10  -1.681   9.736   2.625
   77   2HB   ALA  10          2HB       ALA  10  -0.079  10.471   2.558
   78   3HB   ALA  10          1HB       ALA  10  -1.122  10.755   3.952
   79    H    ASP  11           HN       ASP  11  -1.590  13.925   3.651
   80    HA   ASP  11           HA       ASP  11   0.220  15.526   2.110
   81   1HB   ASP  11          2HB       ASP  11   0.403  16.889   4.208
   82   2HB   ASP  11          1HB       ASP  11  -1.264  16.563   3.734
   83    H    SER  12           HN       SER  12   0.708  13.303   4.836
   84    HA   SER  12           HA       SER  12   3.534  13.888   5.123
   85   1HB   SER  12          2HB       SER  12   3.580  12.027   6.641
   86   2HB   SER  12          1HB       SER  12   2.037  12.835   6.890
   87    HG   SER  12           HG       SER  12   1.043  11.266   5.665
   88    H    GLY  13           HN       GLY  13   1.630  11.651   3.195
   89   1HA   GLY  13          2HA       GLY  13   2.438  10.696   1.130
   90   2HA   GLY  13          1HA       GLY  13   4.092  10.925   1.702
   91    H    ILE  14           HN       ILE  14   4.614   8.702   1.296
   92    HA   ILE  14           HA       ILE  14   3.228   6.744   3.079
   93    HB   ILE  14           HB       ILE  14   5.060   6.081   0.765
   94   1HG1  ILE  14          2HG1      ILE  14   3.181   7.411  -0.112
   95   2HG1  ILE  14          1HG1      ILE  14   3.005   5.724  -0.581
   96   1HG2  ILE  14          3HG2      ILE  14   4.398   4.423   2.657
   97   2HG2  ILE  14          2HG2      ILE  14   2.815   4.410   1.880
   98   3HG2  ILE  14          1HG2      ILE  14   4.241   3.892   0.982
   99   1HD1  ILE  14          3HD1      ILE  14   1.674   5.766   1.820
  100   2HD1  ILE  14          2HD1      ILE  14   1.312   7.369   1.184
  101   3HD1  ILE  14          1HD1      ILE  14   0.897   5.935   0.246
  102   1HN   HIP  15           HN       HIP  15   4.520   7.484   4.911
  103    HA   HIP  15           HA       HIP  15   7.405   6.828   4.726
  104   1HB   HIP  15          1HB       HIP  15   6.828   9.073   5.607
  105   2HB   HIP  15          2HB       HIP  15   7.702   8.105   6.774
  106    HD2  HIP  15          2HD       HIP  15   3.826   8.747   6.147
  107    HE2  HIP  15          2HE       HIP  15   2.772   8.964   8.508
  108    HE1  HIP  15          1HE       HIP  15   4.546   8.707  10.291
  109    H    ALA  16           HN       ALA  16   7.576   6.359   7.672
  110    HA   ALA  16           HA       ALA  16   7.162   3.515   7.581
  111   1HB   ALA  16          2HB       ALA  16   8.800   5.108   9.004
  112   2HB   ALA  16          1HB       ALA  16   7.557   4.806  10.219
  113   3HB   ALA  16          3HB       ALA  16   8.416   3.453   9.478
  114    H    ARG  17           HN       ARG  17   5.226   6.139   9.028
  115    HA   ARG  17           HA       ARG  17   3.670   4.491  10.745
  116   1HB   ARG  17          2HB       ARG  17   3.675   6.993  10.787
  117   2HB   ARG  17          1HB       ARG  17   2.656   6.977   9.355
  118   1HG   ARG  17          2HG       ARG  17   1.269   5.250  10.895
  119   2HG   ARG  17          1HG       ARG  17   1.990   6.254  12.153
  120   1HD   ARG  17          2HD       ARG  17   1.102   8.078  10.207
  121   2HD   ARG  17          1HD       ARG  17  -0.187   6.880  10.332
  122    HE   ARG  17           HE       ARG  17  -0.211   7.364  12.801
  123   1HH1  ARG  17          HH11      ARG  17   2.387   9.107  11.934
  124   2HH1  ARG  17          HH12      ARG  17   1.780  10.665  12.384
  125   1HH2  ARG  17          HH21      ARG  17  -1.481   9.565  12.814
  126   2HH2  ARG  17          HH22      ARG  17  -0.410  10.925  12.882
  127    HA   PRO  18           HA       PRO  18   0.506   3.839   7.229
  128   1HB   PRO  18          2HB       PRO  18   1.290   4.380   4.650
  129   2HB   PRO  18          1HB       PRO  18   0.423   5.535   5.676
  130   1HG   PRO  18          2HG       PRO  18   3.322   5.475   4.941
  131   2HG   PRO  18          1HG       PRO  18   2.285   6.864   5.307
  132   1HD   PRO  18          2HD       PRO  18   4.126   5.749   7.082
  133   2HD   PRO  18          1HD       PRO  18   2.762   6.776   7.541
  134    H    ALA  19           HN       ALA  19   3.926   3.282   6.696
  135    HA   ALA  19           HA       ALA  19   3.629   0.923   5.039
  136   1HB   ALA  19          3HB       ALA  19   5.731   2.487   5.538
  137   2HB   ALA  19          2HB       ALA  19   6.015   1.294   6.804
  138   3HB   ALA  19          1HB       ALA  19   5.938   0.787   5.116
  139    H    THR  20           HN       THR  20   3.588   1.558   8.487
  140    HA   THR  20           HA       THR  20   3.897  -1.259   9.225
  141    HB   THR  20           HB       THR  20   2.774   0.799  11.092
  142    HG1  THR  20           HG1      THR  20   5.503   0.606  10.353
  143   1HG2  THR  20          2HG2      THR  20   3.493  -1.767  11.447
  144   2HG2  THR  20          1HG2      THR  20   5.055  -1.000  11.728
  145   3HG2  THR  20          3HG2      THR  20   3.664  -0.555  12.716
  146    H    VAL  21           HN       VAL  21   1.282   0.996   8.609
  147    HA   VAL  21           HA       VAL  21  -0.826  -0.604   9.788
  148    HB   VAL  21           HB       VAL  21  -1.044   1.420   7.563
  149   1HG1  VAL  21          2HG1      VAL  21  -3.016  -0.098   8.101
  150   2HG1  VAL  21          1HG1      VAL  21  -3.063   0.668   9.688
  151   3HG1  VAL  21          3HG1      VAL  21  -3.336   1.631   8.236
  152   1HG2  VAL  21          3HG2      VAL  21   0.137   2.101   9.816
  153   2HG2  VAL  21          2HG2      VAL  21  -1.115   3.146   9.148
  154   3HG2  VAL  21          1HG2      VAL  21  -1.498   2.044  10.470
  155    H    LEU  22           HN       LEU  22   0.554  -0.246   6.577
  156    HA   LEU  22           HA       LEU  22  -1.293  -2.010   5.247
  157   1HB   LEU  22          2HB       LEU  22   1.489  -1.066   4.520
  158   2HB   LEU  22          1HB       LEU  22   0.404  -1.923   3.418
  159    HG   LEU  22           HG       LEU  22  -0.280   0.689   4.809
  160   1HD1  LEU  22          1HD1      LEU  22   0.962   0.043   2.143
  161   2HD1  LEU  22          3HD1      LEU  22  -0.099   1.446   2.288
  162   3HD1  LEU  22          2HD1      LEU  22   1.361   1.340   3.272
  163   1HD2  LEU  22          3HD2      LEU  22  -1.672  -1.165   2.903
  164   2HD2  LEU  22          2HD2      LEU  22  -2.332  -0.259   4.266
  165   3HD2  LEU  22          1HD2      LEU  22  -1.963   0.569   2.752
  166    H    VAL  23           HN       VAL  23   2.101  -2.459   6.322
  167    HA   VAL  23           HA       VAL  23   2.380  -5.162   5.563
  168    HB   VAL  23           HB       VAL  23   4.253  -3.753   6.371
  169   1HG1  VAL  23          3HG1      VAL  23   2.933  -2.704   8.243
  170   2HG1  VAL  23          2HG1      VAL  23   3.106  -4.214   9.138
  171   3HG1  VAL  23          1HG1      VAL  23   4.535  -3.268   8.721
  172   1HG2  VAL  23          2HG2      VAL  23   4.248  -6.323   6.469
  173   2HG2  VAL  23          1HG2      VAL  23   5.441  -5.499   7.472
  174   3HG2  VAL  23          3HG2      VAL  23   3.970  -6.144   8.201
  175    H    GLN  24           HN       GLN  24   0.646  -3.777   8.269
  176    HA   GLN  24           HA       GLN  24   0.394  -6.250   9.769
  177   1HB   GLN  24          2HB       GLN  24  -0.979  -3.568   9.857
  178   2HB   GLN  24          1HB       GLN  24  -1.559  -4.912  10.839
  179   1HG   GLN  24          2HG       GLN  24   1.294  -4.767  11.113
  180   2HG   GLN  24          1HG       GLN  24   0.632  -3.155  11.374
  181   1HE2  GLN  24          1HE2      GLN  24   1.561  -5.700  13.152
  182   2HE2  GLN  24          2HE2      GLN  24   0.404  -5.667  14.394
  183    H    THR  25           HN       THR  25  -1.593  -4.568   7.352
  184    HA   THR  25           HA       THR  25  -3.840  -6.385   7.581
  185    HB   THR  25           HB       THR  25  -3.092  -4.622   5.232
  186    HG1  THR  25           HG1      THR  25  -3.218  -3.367   7.064
  187   1HG2  THR  25          3HG2      THR  25  -5.487  -6.196   6.049
  188   2HG2  THR  25          2HG2      THR  25  -5.768  -4.623   5.302
  189   3HG2  THR  25          1HG2      THR  25  -4.859  -5.862   4.435
  190    H    ALA  26           HN       ALA  26  -1.526  -5.959   4.870
  191    HA   ALA  26           HA       ALA  26  -2.210  -8.341   3.509
  192   1HB   ALA  26          3HB       ALA  26  -0.575  -6.298   2.928
  193   2HB   ALA  26          2HB       ALA  26   0.637  -7.468   3.446
  194   3HB   ALA  26          1HB       ALA  26  -0.452  -7.856   2.116
  195    H    SER  27           HN       SER  27  -0.342  -7.923   6.416
  196    HA   SER  27           HA       SER  27   1.302 -10.246   6.308
  197   1HB   SER  27          2HB       SER  27   0.249  -8.464   8.432
  198   2HB   SER  27          1HB       SER  27   0.727 -10.075   8.959
  199    HG   SER  27           HG       SER  27   2.755  -9.715   8.048
  200    H    LYS  28           HN       LYS  28  -2.055  -9.805   7.378
  201    HA   LYS  28           HA       LYS  28  -2.411 -12.538   8.249
  202   1HB   LYS  28          2HB       LYS  28  -4.375 -10.359   7.495
  203   2HB   LYS  28          1HB       LYS  28  -4.869 -11.936   8.110
  204   1HG   LYS  28          2HG       LYS  28  -4.125 -11.495  10.234
  205   2HG   LYS  28          1HG       LYS  28  -2.780 -10.504   9.669
  206   1HD   LYS  28          2HD       LYS  28  -4.041  -8.585   9.599
  207   2HD   LYS  28          1HD       LYS  28  -5.520  -9.449   9.177
  208   1HE   LYS  28          2HE       LYS  28  -5.905  -8.743  11.396
  209   2HE   LYS  28          1HE       LYS  28  -5.396 -10.422  11.574
  210   1HZ   LYS  28          3HZ       LYS  28  -3.391  -8.269  11.626
  211   2HZ   LYS  28          2HZ       LYS  28  -4.304  -8.602  13.019
  212   3HZ   LYS  28          1HZ       LYS  28  -3.328  -9.810  12.332
  213    H    TYR  29           HN       TYR  29  -2.507 -10.969   5.132
  214    HA   TYR  29           HA       TYR  29  -3.999 -13.196   3.896
  215   1HB   TYR  29          2HB       TYR  29  -2.748 -10.689   2.721
  216   2HB   TYR  29          1HB       TYR  29  -3.623 -11.899   1.779
  217    HD1  TYR  29          2HD       TYR  29  -6.035 -12.308   2.172
  218    HD2  TYR  29          1HD       TYR  29  -3.917  -9.162   4.187
  219    HE1  TYR  29          2HE       TYR  29  -8.192 -11.265   2.810
  220    HE2  TYR  29          1HE       TYR  29  -6.074  -8.119   4.826
  221    HH   TYR  29           HH       TYR  29  -8.802  -9.497   4.995
  222    H    ASP  30           HN       ASP  30  -3.033 -14.911   2.944
  223    HA   ASP  30           HA       ASP  30  -0.156 -15.253   3.128
  224   1HB   ASP  30          2HB       ASP  30  -2.179 -16.945   1.630
  225   2HB   ASP  30          1HB       ASP  30  -0.560 -17.437   2.125
  226    H    ALA  31           HN       ALA  31  -2.369 -14.180   0.636
  227    HA   ALA  31           HA       ALA  31  -0.787 -14.665  -1.676
  228   1HB   ALA  31          2HB       ALA  31  -3.228 -13.644  -1.334
  229   2HB   ALA  31          1HB       ALA  31  -2.347 -12.123  -1.478
  230   3HB   ALA  31          3HB       ALA  31  -2.288 -13.303  -2.787
  231    H    ASP  32           HN       ASP  32   0.814 -13.424  -2.699
  232    HA   ASP  32           HA       ASP  32   2.309 -11.609  -0.917
  233   1HB   ASP  32          2HB       ASP  32   2.929 -12.768  -3.648
  234   2HB   ASP  32          1HB       ASP  32   4.014 -11.693  -2.765
  235    H    VAL  33           HN       VAL  33   1.183  -9.661  -0.909
  236    HA   VAL  33           HA       VAL  33   0.448  -8.413  -3.495
  237    HB   VAL  33           HB       VAL  33  -0.678  -6.721  -2.116
  238   1HG1  VAL  33          2HG1      VAL  33  -1.346  -9.450  -2.226
  239   2HG1  VAL  33          1HG1      VAL  33  -1.598  -8.999  -0.539
  240   3HG1  VAL  33          3HG1      VAL  33  -2.429  -8.118  -1.824
  241   1HG2  VAL  33          3HG2      VAL  33   1.038  -6.690  -0.295
  242   2HG2  VAL  33          2HG2      VAL  33  -0.607  -6.816   0.323
  243   3HG2  VAL  33          1HG2      VAL  33   0.426  -8.244   0.266
  244    H    ASN  34           HN       ASN  34   1.563  -6.640  -4.341
  245    HA   ASN  34           HA       ASN  34   3.828  -5.573  -2.708
  246   1HB   ASN  34          2HB       ASN  34   3.960  -6.249  -5.660
  247   2HB   ASN  34          1HB       ASN  34   5.277  -5.634  -4.664
  248   1HD2  ASN  34          2HD2      ASN  34   5.385  -9.433  -4.902
  249   2HD2  ASN  34          1HD2      ASN  34   5.230  -8.232  -6.093
  250    H    LEU  35           HN       LEU  35   4.218  -3.387  -2.939
  251    HA   LEU  35           HA       LEU  35   2.222  -1.860  -4.546
  252   1HB   LEU  35          2HB       LEU  35   2.395  -1.393  -2.090
  253   2HB   LEU  35          1HB       LEU  35   4.066  -0.886  -2.340
  254    HG   LEU  35           HG       LEU  35   2.040   0.368  -4.117
  255   1HD1  LEU  35          2HD1      LEU  35   1.958   0.531  -1.154
  256   2HD1  LEU  35          1HD1      LEU  35   1.892   2.073  -2.007
  257   3HD1  LEU  35          3HD1      LEU  35   0.684   0.832  -2.334
  258   1HD2  LEU  35          2HD2      LEU  35   4.681   0.756  -3.667
  259   2HD2  LEU  35          1HD2      LEU  35   3.608   2.043  -4.215
  260   3HD2  LEU  35          3HD2      LEU  35   4.017   1.902  -2.504
  261    H    GLU  36           HN       GLU  36   2.956  -0.981  -6.431
  262    HA   GLU  36           HA       GLU  36   5.891  -0.786  -6.858
  263   1HB   GLU  36          2HB       GLU  36   4.247  -1.940  -8.495
  264   2HB   GLU  36          1HB       GLU  36   3.777  -0.301  -8.952
  265   1HG   GLU  36          2HG       GLU  36   5.938   0.225  -9.746
  266   2HG   GLU  36          1HG       GLU  36   6.677  -1.130  -8.891
  267    H    TYR  37           HN       TYR  37   6.851   1.170  -7.619
  268    HA   TYR  37           HA       TYR  37   5.255   3.605  -7.865
  269   1HB   TYR  37          2HB       TYR  37   5.435   3.357  -5.395
  270   2HB   TYR  37          1HB       TYR  37   7.191   3.342  -5.543
  271    HD1  TYR  37          1HD       TYR  37   4.513   5.416  -7.168
  272    HD2  TYR  37          2HD       TYR  37   8.072   5.358  -4.765
  273    HE1  TYR  37          1HE       TYR  37   4.541   7.895  -7.154
  274    HE2  TYR  37          2HE       TYR  37   8.101   7.838  -4.752
  275    HH   TYR  37           HH       TYR  37   7.042   9.698  -6.529
  276    H    ASN  38           HN       ASN  38   6.227   4.517  -9.592
  277    HA   ASN  38           HA       ASN  38   7.885   5.384 -10.993
  278   1HB   ASN  38          2HB       ASN  38   9.044   5.497  -8.288
  279   2HB   ASN  38          1HB       ASN  38  10.251   5.437  -9.572
  280   1HD2  ASN  38          2HD2      ASN  38   9.815   8.942  -9.833
  281   2HD2  ASN  38          1HD2      ASN  38  10.872   7.676  -9.428
  282    H    GLY  39           HN       GLY  39   7.474   2.420 -10.688
  283   1HA   GLY  39          2HA       GLY  39   8.411   0.702 -12.055
  284   2HA   GLY  39          1HA       GLY  39   9.898   1.634 -12.156
  285    H    LYS  40           HN       LYS  40   9.650   1.904  -9.049
  286    HA   LYS  40           HA       LYS  40  11.205  -0.540  -8.498
  287   1HB   LYS  40          2HB       LYS  40  10.731   2.068  -7.093
  288   2HB   LYS  40          1HB       LYS  40  11.257   0.678  -6.143
  289   1HG   LYS  40          2HG       LYS  40  13.304   1.596  -6.774
  290   2HG   LYS  40          1HG       LYS  40  13.046   0.413  -8.056
  291   1HD   LYS  40          2HD       LYS  40  11.860   3.097  -8.511
  292   2HD   LYS  40          1HD       LYS  40  13.621   3.016  -8.543
  293   1HE   LYS  40          2HE       LYS  40  12.198   0.868 -10.018
  294   2HE   LYS  40          1HE       LYS  40  12.083   2.487 -10.708
  295   1HZ   LYS  40          3HZ       LYS  40  14.690   1.445  -9.825
  296   2HZ   LYS  40          2HZ       LYS  40  14.064   0.983 -11.336
  297   3HZ   LYS  40          1HZ       LYS  40  14.349   2.624 -10.995
  298    H    THR  41           HN       THR  41  10.043  -2.319  -7.974
  299    HA   THR  41           HA       THR  41   7.443  -2.008  -6.582
  300    HB   THR  41           HB       THR  41   8.615  -4.635  -7.467
  301    HG1  THR  41           HG1      THR  41   7.935  -4.244  -9.510
  302   1HG2  THR  41          3HG2      THR  41   6.520  -4.602  -6.159
  303   2HG2  THR  41          2HG2      THR  41   5.797  -3.524  -7.353
  304   3HG2  THR  41          1HG2      THR  41   6.237  -5.171  -7.804
  305    H    VAL  42           HN       VAL  42   7.534  -2.005  -4.406
  306    HA   VAL  42           HA       VAL  42   9.632  -3.648  -3.056
  307    HB   VAL  42           HB       VAL  42   8.751  -2.268  -0.986
  308   1HG1  VAL  42          3HG1      VAL  42  10.731  -1.668  -3.088
  309   2HG1  VAL  42          2HG1      VAL  42  10.311  -0.302  -2.055
  310   3HG1  VAL  42          1HG1      VAL  42  10.934  -1.789  -1.340
  311   1HG2  VAL  42          1HG2      VAL  42   6.890  -1.203  -2.306
  312   2HG2  VAL  42          3HG2      VAL  42   7.963  -0.037  -1.530
  313   3HG2  VAL  42          2HG2      VAL  42   8.112  -0.359  -3.258
  314    H    ASN  43           HN       ASN  43   9.011  -5.093  -1.407
  315    HA   ASN  43           HA       ASN  43   6.417  -6.323  -1.752
  316   1HB   ASN  43          2HB       ASN  43   8.621  -7.431  -0.986
  317   2HB   ASN  43          1HB       ASN  43   8.251  -6.769   0.607
  318   1HD2  ASN  43          2HD2      ASN  43   5.801  -9.703  -0.925
  319   2HD2  ASN  43          1HD2      ASN  43   6.713  -8.747  -1.992
  320    H    LEU  44           HN       LEU  44   4.562  -6.018  -0.551
  321    HA   LEU  44           HA       LEU  44   4.136  -3.648   0.923
  322   1HB   LEU  44          2HB       LEU  44   2.426  -5.291  -0.097
  323   2HB   LEU  44          1HB       LEU  44   2.590  -6.207   1.396
  324    HG   LEU  44           HG       LEU  44   0.643  -4.606   1.359
  325   1HD1  LEU  44          1HD1      LEU  44   2.332  -5.272   3.417
  326   2HD1  LEU  44          3HD1      LEU  44   2.287  -3.511   3.533
  327   3HD1  LEU  44          2HD1      LEU  44   0.789  -4.440   3.600
  328   1HD2  LEU  44          3HD2      LEU  44   1.934  -2.793   0.115
  329   2HD2  LEU  44          2HD2      LEU  44   0.990  -2.237   1.498
  330   3HD2  LEU  44          1HD2      LEU  44   2.736  -2.434   1.644
  331    H    LYS  45           HN       LYS  45   5.497  -6.698   1.931
  332    HA   LYS  45           HA       LYS  45   5.299  -6.004   4.801
  333   1HB   LYS  45          2HB       LYS  45   6.698  -8.353   3.477
  334   2HB   LYS  45          1HB       LYS  45   6.326  -8.183   5.192
  335   1HG   LYS  45          2HG       LYS  45   4.078  -8.614   4.890
  336   2HG   LYS  45          1HG       LYS  45   4.063  -7.964   3.252
  337   1HD   LYS  45          2HD       LYS  45   5.752 -10.075   2.925
  338   2HD   LYS  45          1HD       LYS  45   4.695 -10.702   4.190
  339   1HE   LYS  45          2HE       LYS  45   2.820 -10.664   2.838
  340   2HE   LYS  45          1HE       LYS  45   3.426  -9.327   1.860
  341   1HZ   LYS  45          1HZ       LYS  45   5.212 -11.055   1.175
  342   2HZ   LYS  45          3HZ       LYS  45   4.060 -12.191   1.685
  343   3HZ   LYS  45          2HZ       LYS  45   3.678 -11.094   0.445
  344    H    SER  46           HN       SER  46   6.638  -4.004   3.724
  345    HA   SER  46           HA       SER  46   9.404  -4.383   4.669
  346   1HB   SER  46          2HB       SER  46   9.089  -4.739   2.032
  347   2HB   SER  46          1HB       SER  46   9.116  -2.978   2.037
  348    HG   SER  46           HG       SER  46  11.051  -4.652   3.276
  349    H    ILE  47           HN       ILE  47   8.640  -2.976   6.339
  350    HA   ILE  47           HA       ILE  47   7.359  -0.473   5.904
  351    HB   ILE  47           HB       ILE  47   9.238  -1.166   8.177
  352   1HG1  ILE  47          2HG1      ILE  47   6.294  -1.785   7.723
  353   2HG1  ILE  47          1HG1      ILE  47   7.594  -2.943   7.971
  354   1HG2  ILE  47          1HG2      ILE  47   8.163   1.242   7.623
  355   2HG2  ILE  47          3HG2      ILE  47   6.795   0.524   8.473
  356   3HG2  ILE  47          2HG2      ILE  47   8.359   0.661   9.275
  357   1HD1  ILE  47          2HD1      ILE  47   7.787  -1.328  10.214
  358   2HD1  ILE  47          1HD1      ILE  47   6.046  -1.449   9.957
  359   3HD1  ILE  47          3HD1      ILE  47   7.011  -2.912  10.154
  360    H    MET  48           HN       MET  48  10.812  -1.024   6.716
  361    HA   MET  48           HA       MET  48  11.597   1.657   6.028
  362   1HB   MET  48          2HB       MET  48  12.830  -0.228   7.420
  363   2HB   MET  48          1HB       MET  48  13.528  -0.629   5.850
  364   1HG   MET  48          2HG       MET  48  14.708   1.340   5.712
  365   2HG   MET  48          1HG       MET  48  13.497   2.251   6.613
  366   1HE   MET  48          3HE       MET  48  16.792   1.209   6.457
  367   2HE   MET  48          2HE       MET  48  17.362   0.586   8.003
  368   3HE   MET  48          1HE       MET  48  16.418  -0.451   6.938
  369    H    GLY  49           HN       GLY  49  11.181  -1.277   4.160
  370   1HA   GLY  49          2HA       GLY  49  12.740  -0.487   1.872
  371   2HA   GLY  49          1HA       GLY  49  11.482  -1.721   1.876
  372    H    VAL  50           HN       VAL  50   9.512   0.312   2.966
  373    HA   VAL  50           HA       VAL  50   8.728   1.394   0.337
  374    HB   VAL  50           HB       VAL  50   7.307   1.557   3.015
  375   1HG1  VAL  50          1HG1      VAL  50   6.641   2.374   0.214
  376   2HG1  VAL  50          3HG1      VAL  50   5.345   1.727   1.220
  377   3HG1  VAL  50          2HG1      VAL  50   6.231   3.160   1.739
  378   1HG2  VAL  50          2HG2      VAL  50   7.838  -0.738   1.623
  379   2HG2  VAL  50          1HG2      VAL  50   6.407  -0.506   2.625
  380   3HG2  VAL  50          3HG2      VAL  50   6.316  -0.246   0.883
  381    H    VAL  51           HN       VAL  51   9.868   2.544   3.469
  382    HA   VAL  51           HA       VAL  51   9.349   5.346   2.953
  383    HB   VAL  51           HB       VAL  51  11.379   4.125   4.847
  384   1HG1  VAL  51          1HG1      VAL  51   9.992   6.819   4.726
  385   2HG1  VAL  51          3HG1      VAL  51  10.946   6.260   6.100
  386   3HG1  VAL  51          2HG1      VAL  51  11.718   6.508   4.534
  387   1HG2  VAL  51          1HG2      VAL  51   8.415   4.342   4.921
  388   2HG2  VAL  51          3HG2      VAL  51   9.478   3.188   5.725
  389   3HG2  VAL  51          2HG2      VAL  51   9.259   4.802   6.399
  390    H    SER  52           HN       SER  52  11.898   3.137   2.047
  391    HA   SER  52           HA       SER  52  14.030   4.965   1.619
  392   1HB   SER  52          2HB       SER  52  15.003   3.278   0.239
  393   2HB   SER  52          1HB       SER  52  14.085   2.411   1.466
  394    HG   SER  52           HG       SER  52  12.339   2.399  -0.115
  395    H    LEU  53           HN       LEU  53  11.291   4.069  -0.464
  396    HA   LEU  53           HA       LEU  53  12.140   5.524  -2.781
  397   1HB   LEU  53          2HB       LEU  53   9.385   4.741  -1.790
  398   2HB   LEU  53          1HB       LEU  53   9.671   5.500  -3.356
  399    HG   LEU  53           HG       LEU  53  11.518   3.490  -3.425
  400   1HD1  LEU  53          3HD1      LEU  53   9.377   2.742  -1.502
  401   2HD1  LEU  53          2HD1      LEU  53   9.812   1.523  -2.699
  402   3HD1  LEU  53          1HD1      LEU  53  11.041   2.170  -1.612
  403   1HD2  LEU  53          2HD2      LEU  53   9.655   4.174  -5.063
  404   2HD2  LEU  53          1HD2      LEU  53  10.084   2.464  -5.024
  405   3HD2  LEU  53          3HD2      LEU  53   8.632   3.028  -4.198
  406    H    GLY  54           HN       GLY  54  10.406   6.463   0.141
  407   1HA   GLY  54          2HA       GLY  54   9.997   8.600   1.024
  408   2HA   GLY  54          1HA       GLY  54  11.077   9.246  -0.212
  409    H    ILE  55           HN       ILE  55   7.851   7.679  -0.118
  410    HA   ILE  55           HA       ILE  55   6.947   9.179  -2.445
  411    HB   ILE  55           HB       ILE  55   5.261   7.650  -0.439
  412   1HG1  ILE  55          2HG1      ILE  55   6.570   6.652  -2.992
  413   2HG1  ILE  55          1HG1      ILE  55   7.142   6.279  -1.367
  414   1HG2  ILE  55          2HG2      ILE  55   4.857   8.731  -3.218
  415   2HG2  ILE  55          1HG2      ILE  55   3.946   7.321  -2.679
  416   3HG2  ILE  55          3HG2      ILE  55   3.794   8.852  -1.816
  417   1HD1  ILE  55          3HD1      ILE  55   4.280   5.728  -2.111
  418   2HD1  ILE  55          2HD1      ILE  55   5.545   4.589  -2.569
  419   3HD1  ILE  55          1HD1      ILE  55   5.270   4.963  -0.868
  420    H    ALA  56           HN       ALA  56   5.275  10.804  -2.420
  421    HA   ALA  56           HA       ALA  56   4.723  12.079   0.206
  422   1HB   ALA  56          2HB       ALA  56   6.480  13.120  -1.896
  423   2HB   ALA  56          1HB       ALA  56   5.206  14.256  -1.448
  424   3HB   ALA  56          3HB       ALA  56   6.311  13.638  -0.220
  425    H    LYS  57           HN       LYS  57   3.232  14.145  -0.382
  426    HA   LYS  57           HA       LYS  57   0.802  13.097  -1.451
  427   1HB   LYS  57          2HB       LYS  57   1.336  15.201   0.093
  428   2HB   LYS  57          1HB       LYS  57   1.264  16.033  -1.458
  429   1HG   LYS  57          2HG       LYS  57  -0.943  14.540  -1.719
  430   2HG   LYS  57          1HG       LYS  57  -0.902  14.645   0.042
  431   1HD   LYS  57          2HD       LYS  57  -2.181  16.525  -0.666
  432   2HD   LYS  57          1HD       LYS  57  -0.589  17.170  -0.267
  433   1HE   LYS  57          2HE       LYS  57  -0.032  16.788  -2.768
  434   2HE   LYS  57          1HE       LYS  57  -1.777  16.657  -2.991
  435   1HZ   LYS  57          1HZ       LYS  57  -0.677  18.929  -1.487
  436   2HZ   LYS  57          3HZ       LYS  57  -0.617  18.951  -3.182
  437   3HZ   LYS  57          2HZ       LYS  57  -2.113  18.827  -2.387
  438    H    GLY  58           HN       GLY  58  -0.036  13.125  -3.505
  439   1HA   GLY  58          2HA       GLY  58  -0.274  13.889  -5.765
  440   2HA   GLY  58          1HA       GLY  58   1.206  14.831  -5.577
  441    H    ALA  59           HN       ALA  59   0.347  11.364  -5.262
  442    HA   ALA  59           HA       ALA  59   2.370  10.718  -7.330
  443   1HB   ALA  59          3HB       ALA  59   2.576  10.064  -4.431
  444   2HB   ALA  59          2HB       ALA  59   3.017   8.790  -5.568
  445   3HB   ALA  59          1HB       ALA  59   3.854  10.342  -5.614
  446    H    GLU  60           HN       GLU  60   2.341   8.098  -7.451
  447    HA   GLU  60           HA       GLU  60  -0.481   7.167  -7.185
  448   1HB   GLU  60          2HB       GLU  60   1.219   6.767  -9.665
  449   2HB   GLU  60          1HB       GLU  60  -0.458   6.270  -9.442
  450   1HG   GLU  60          2HG       GLU  60  -0.818   8.266 -10.541
  451   2HG   GLU  60          1HG       GLU  60  -0.755   8.869  -8.884
  452    H    ILE  61           HN       ILE  61  -0.639   4.779  -7.261
  453    HA   ILE  61           HA       ILE  61   1.890   3.279  -6.980
  454    HB   ILE  61           HB       ILE  61   1.107   2.289  -4.795
  455   1HG1  ILE  61          2HG1      ILE  61  -0.803   4.652  -4.868
  456   2HG1  ILE  61          1HG1      ILE  61  -1.279   2.963  -5.039
  457   1HG2  ILE  61          1HG2      ILE  61   2.829   4.100  -4.964
  458   2HG2  ILE  61          3HG2      ILE  61   1.545   5.291  -4.755
  459   3HG2  ILE  61          2HG2      ILE  61   1.916   4.156  -3.456
  460   1HD1  ILE  61          1HD1      ILE  61   0.225   2.902  -2.730
  461   2HD1  ILE  61          3HD1      ILE  61  -0.568   4.473  -2.615
  462   3HD1  ILE  61          2HD1      ILE  61  -1.534   3.008  -2.781
  463    H    THR  62           HN       THR  62   1.643   1.155  -7.630
  464    HA   THR  62           HA       THR  62  -1.140   0.299  -8.326
  465    HB   THR  62           HB       THR  62   1.277  -0.888  -9.645
  466    HG1  THR  62           HG1      THR  62   1.790   1.032 -10.307
  467   1HG2  THR  62          1HG2      THR  62  -1.352  -1.397  -9.885
  468   2HG2  THR  62          3HG2      THR  62  -1.214  -0.094 -11.066
  469   3HG2  THR  62          2HG2      THR  62  -0.233  -1.550 -11.241
  470    H    ILE  63           HN       ILE  63  -1.743  -1.055  -6.692
  471    HA   ILE  63           HA       ILE  63   0.220  -2.946  -5.538
  472    HB   ILE  63           HB       ILE  63  -2.653  -2.274  -4.822
  473   1HG1  ILE  63          2HG1      ILE  63  -0.045  -1.749  -3.366
  474   2HG1  ILE  63          1HG1      ILE  63  -0.896  -0.555  -4.347
  475   1HG2  ILE  63          3HG2      ILE  63  -0.730  -4.310  -3.699
  476   2HG2  ILE  63          2HG2      ILE  63  -1.972  -3.582  -2.679
  477   3HG2  ILE  63          1HG2      ILE  63  -2.435  -4.509  -4.107
  478   1HD1  ILE  63          1HD1      ILE  63  -2.940  -1.285  -2.789
  479   2HD1  ILE  63          3HD1      ILE  63  -1.627  -1.691  -1.684
  480   3HD1  ILE  63          2HD1      ILE  63  -1.794  -0.041  -2.285
  481    H    SER  64           HN       SER  64  -0.080  -5.226  -5.635
  482    HA   SER  64           HA       SER  64  -2.284  -6.297  -7.282
  483   1HB   SER  64          2HB       SER  64  -0.500  -7.606  -8.632
  484   2HB   SER  64          1HB       SER  64  -0.785  -5.923  -9.065
  485    HG   SER  64           HG       SER  64   1.031  -5.352  -7.879
  486    H    ALA  65           HN       ALA  65  -3.023  -7.884  -5.966
  487    HA   ALA  65           HA       ALA  65  -1.154  -9.344  -4.199
  488   1HB   ALA  65          2HB       ALA  65  -3.470  -8.487  -3.489
  489   2HB   ALA  65          1HB       ALA  65  -4.132  -9.795  -4.467
  490   3HB   ALA  65          3HB       ALA  65  -3.097 -10.162  -3.088
  491    H    SER  66           HN       SER  66  -0.495 -11.439  -4.601
  492    HA   SER  66           HA       SER  66  -1.873 -12.945  -6.778
  493   1HB   SER  66          2HB       SER  66   0.757 -11.825  -6.896
  494   2HB   SER  66          1HB       SER  66   0.915 -13.577  -6.850
  495    HG   SER  66           HG       SER  66  -0.373 -13.729  -8.637
  496    H    GLY  67           HN       GLY  67  -2.756 -14.585  -5.568
  497   1HA   GLY  67          2HA       GLY  67  -1.212 -16.731  -4.603
  498   2HA   GLY  67          1HA       GLY  67  -1.541 -15.700  -3.210
  499    H    ALA  68           HN       ALA  68  -2.976 -17.120  -2.175
  500    HA   ALA  68           HA       ALA  68  -5.257 -18.261  -3.618
  501   1HB   ALA  68          3HB       ALA  68  -4.144 -18.418  -0.860
  502   2HB   ALA  68          2HB       ALA  68  -5.874 -18.710  -1.037
  503   3HB   ALA  68          1HB       ALA  68  -4.717 -19.708  -1.916
  504    H    ASP  69           HN       ASP  69  -4.996 -16.050  -0.807
  505    HA   ASP  69           HA       ASP  69  -7.702 -15.011  -1.456
  506   1HB   ASP  69          2HB       ASP  69  -7.461 -13.829   0.760
  507   2HB   ASP  69          1HB       ASP  69  -7.385 -15.587   0.873
  508    H    GLU  70           HN       GLU  70  -5.689 -14.311  -3.285
  509    HA   GLU  70           HA       GLU  70  -4.409 -11.816  -2.756
  510   1HB   GLU  70          2HB       GLU  70  -4.393 -11.592  -5.285
  511   2HB   GLU  70          1HB       GLU  70  -3.692 -13.085  -4.667
  512   1HG   GLU  70          2HG       GLU  70  -5.614 -14.357  -5.257
  513   2HG   GLU  70          1HG       GLU  70  -6.595 -12.910  -5.491
  514    H    ASN  71           HN       ASN  71  -7.668 -12.611  -3.834
  515    HA   ASN  71           HA       ASN  71  -8.397  -9.903  -4.560
  516   1HB   ASN  71          2HB       ASN  71 -10.085 -12.313  -3.820
  517   2HB   ASN  71          1HB       ASN  71 -10.739 -10.797  -4.439
  518   1HD2  ASN  71          2HD2      ASN  71 -10.423 -12.558  -7.560
  519   2HD2  ASN  71          1HD2      ASN  71 -11.511 -12.227  -6.300
  520    H    ASP  72           HN       ASP  72  -9.056 -11.924  -1.687
  521    HA   ASP  72           HA       ASP  72 -10.429  -9.923  -0.196
  522   1HB   ASP  72          2HB       ASP  72  -8.755 -12.246   0.794
  523   2HB   ASP  72          1HB       ASP  72  -9.898 -11.325   1.772
  524    H    ALA  73           HN       ALA  73  -7.038 -10.339  -0.864
  525    HA   ALA  73           HA       ALA  73  -6.106  -8.801   1.425
  526   1HB   ALA  73          2HB       ALA  73  -4.769  -9.759  -1.107
  527   2HB   ALA  73          1HB       ALA  73  -3.926  -8.811   0.119
  528   3HB   ALA  73          3HB       ALA  73  -4.581 -10.397   0.527
  529    H    LEU  74           HN       LEU  74  -6.269  -8.065  -2.105
  530    HA   LEU  74           HA       LEU  74  -5.297  -5.424  -1.894
  531   1HB   LEU  74          2HB       LEU  74  -6.298  -4.988  -4.063
  532   2HB   LEU  74          1HB       LEU  74  -5.626  -6.614  -4.046
  533    HG   LEU  74           HG       LEU  74  -8.078  -7.253  -3.279
  534   1HD1  LEU  74          2HD1      LEU  74  -8.393  -4.514  -3.694
  535   2HD1  LEU  74          1HD1      LEU  74  -9.032  -5.232  -5.172
  536   3HD1  LEU  74          3HD1      LEU  74  -9.695  -5.700  -3.607
  537   1HD2  LEU  74          3HD2      LEU  74  -7.051  -6.672  -6.052
  538   2HD2  LEU  74          2HD2      LEU  74  -7.183  -8.229  -5.237
  539   3HD2  LEU  74          1HD2      LEU  74  -8.635  -7.404  -5.800
  540    H    ASN  75           HN       ASN  75  -8.675  -6.557  -1.566
  541    HA   ASN  75           HA       ASN  75  -9.690  -3.860  -1.208
  542   1HB   ASN  75          2HB       ASN  75 -11.768  -4.958  -0.418
  543   2HB   ASN  75          1HB       ASN  75 -11.208  -5.631  -1.945
  544   1HD2  ASN  75          2HD2      ASN  75 -10.923  -7.940   1.447
  545   2HD2  ASN  75          1HD2      ASN  75 -11.009  -6.253   1.606
  546    H    ALA  76           HN       ALA  76  -8.272  -6.271   0.900
  547    HA   ALA  76           HA       ALA  76  -9.203  -5.294   3.414
  548   1HB   ALA  76          1HB       ALA  76  -7.777  -7.408   2.844
  549   2HB   ALA  76          3HB       ALA  76  -6.399  -6.324   3.026
  550   3HB   ALA  76          2HB       ALA  76  -7.497  -6.590   4.380
  551    H    LEU  77           HN       LEU  77  -6.028  -4.637   1.862
  552    HA   LEU  77           HA       LEU  77  -5.328  -2.483   3.588
  553   1HB   LEU  77          2HB       LEU  77  -4.506  -2.866   0.696
  554   2HB   LEU  77          1HB       LEU  77  -3.649  -1.924   1.916
  555    HG   LEU  77           HG       LEU  77  -4.049  -4.520   3.024
  556   1HD1  LEU  77          1HD1      LEU  77  -4.328  -5.002   0.453
  557   2HD1  LEU  77          3HD1      LEU  77  -2.576  -4.804   0.425
  558   3HD1  LEU  77          2HD1      LEU  77  -3.306  -6.051   1.436
  559   1HD2  LEU  77          1HD2      LEU  77  -1.702  -2.939   1.988
  560   2HD2  LEU  77          3HD2      LEU  77  -2.149  -3.282   3.658
  561   3HD2  LEU  77          2HD2      LEU  77  -1.482  -4.559   2.644
  562    H    GLU  78           HN       GLU  78  -7.436  -2.617   0.790
  563    HA   GLU  78           HA       GLU  78  -7.441   0.142   0.073
  564   1HB   GLU  78          2HB       GLU  78  -8.500  -1.634  -1.290
  565   2HB   GLU  78          1HB       GLU  78  -9.729  -1.851  -0.047
  566   1HG   GLU  78          2HG       GLU  78 -10.870   0.020  -0.665
  567   2HG   GLU  78          1HG       GLU  78  -9.396   0.940  -0.957
  568    H    GLU  79           HN       GLU  79  -9.719  -1.596   2.263
  569    HA   GLU  79           HA       GLU  79 -11.096   0.761   3.097
  570   1HB   GLU  79          2HB       GLU  79 -11.904  -0.599   4.994
  571   2HB   GLU  79          1HB       GLU  79 -12.015  -1.487   3.478
  572   1HG   GLU  79          2HG       GLU  79 -10.548  -3.067   4.168
  573   2HG   GLU  79          1HG       GLU  79  -9.436  -1.867   4.816
  574    H    THR  80           HN       THR  80  -8.041  -0.626   4.107
  575    HA   THR  80           HA       THR  80  -7.806   0.827   6.596
  576    HB   THR  80           HB       THR  80  -5.590  -0.162   4.769
  577    HG1  THR  80           HG1      THR  80  -6.830  -1.455   6.964
  578   1HG2  THR  80          3HG2      THR  80  -5.337   1.458   6.921
  579   2HG2  THR  80          2HG2      THR  80  -5.329  -0.111   7.724
  580   3HG2  THR  80          1HG2      THR  80  -4.132   0.248   6.480
  581    H    MET  81           HN       MET  81  -7.063   1.510   3.231
  582    HA   MET  81           HA       MET  81  -5.628   3.977   3.706
  583   1HB   MET  81          2HB       MET  81  -7.013   2.795   1.287
  584   2HB   MET  81          1HB       MET  81  -6.186   4.348   1.235
  585   1HG   MET  81          2HG       MET  81  -4.636   2.130   2.446
  586   2HG   MET  81          1HG       MET  81  -4.964   1.966   0.722
  587   1HE   MET  81          2HE       MET  81  -2.799   1.712   0.480
  588   2HE   MET  81          1HE       MET  81  -2.028   3.006  -0.433
  589   3HE   MET  81          3HE       MET  81  -1.511   2.657   1.222
  590    H    LYS  82           HN       LYS  82  -8.995   3.071   3.268
  591    HA   LYS  82           HA       LYS  82  -9.865   5.892   3.169
  592   1HB   LYS  82          2HB       LYS  82 -11.467   3.316   3.148
  593   2HB   LYS  82          1HB       LYS  82 -12.116   4.934   2.865
  594   1HG   LYS  82          2HG       LYS  82 -10.559   5.172   0.924
  595   2HG   LYS  82          1HG       LYS  82 -10.043   3.504   1.175
  596   1HD   LYS  82          2HD       LYS  82 -12.053   2.624   0.448
  597   2HD   LYS  82          1HD       LYS  82 -12.975   4.044   0.944
  598   1HE   LYS  82          2HE       LYS  82 -11.762   5.313  -0.909
  599   2HE   LYS  82          1HE       LYS  82 -11.201   3.744  -1.488
  600   1HZ   LYS  82          1HZ       LYS  82 -13.680   3.122  -1.357
  601   2HZ   LYS  82          3HZ       LYS  82 -13.949   4.797  -1.362
  602   3HZ   LYS  82          2HZ       LYS  82 -13.140   4.064  -2.664
  603    H    SER  83           HN       SER  83  -9.116   3.663   5.606
  604    HA   SER  83           HA       SER  83 -11.252   4.359   7.462
  605   1HB   SER  83          2HB       SER  83 -10.060   3.017   9.051
  606   2HB   SER  83          1HB       SER  83  -9.898   2.203   7.497
  607    HG   SER  83           HG       SER  83  -7.872   2.311   8.349
  608    H    GLU  84           HN       GLU  84  -7.773   5.172   7.225
  609    HA   GLU  84           HA       GLU  84  -8.202   7.358   9.195
  610   1HB   GLU  84          2HB       GLU  84  -5.822   5.861   8.168
  611   2HB   GLU  84          1HB       GLU  84  -5.582   7.507   8.756
  612   1HG   GLU  84          2HG       GLU  84  -5.360   6.419  10.766
  613   2HG   GLU  84          1HG       GLU  84  -7.119   6.561  10.756
  614    H    GLY  85           HN       GLY  85  -6.479   6.957   6.077
  615   1HA   GLY  85          2HA       GLY  85  -7.489   8.653   4.334
  616   2HA   GLY  85          1HA       GLY  85  -6.960   9.843   5.526
  617    H    LEU  86           HN       LEU  86  -5.676   7.050   3.701
  618    HA   LEU  86           HA       LEU  86  -3.029   8.433   3.641
  619   1HB   LEU  86          2HB       LEU  86  -3.757   5.515   3.282
  620   2HB   LEU  86          1HB       LEU  86  -2.131   6.164   3.066
  621    HG   LEU  86           HG       LEU  86  -3.756   6.414   5.614
  622   1HD1  LEU  86          1HD1      LEU  86  -1.761   4.406   4.639
  623   2HD1  LEU  86          3HD1      LEU  86  -1.755   4.842   6.348
  624   3HD1  LEU  86          2HD1      LEU  86  -3.208   4.161   5.617
  625   1HD2  LEU  86          2HD2      LEU  86  -0.916   7.141   4.845
  626   2HD2  LEU  86          1HD2      LEU  86  -2.177   8.220   5.443
  627   3HD2  LEU  86          3HD2      LEU  86  -1.454   7.025   6.521
  628    H    GLY  87           HN       GLY  87  -5.195   6.446   1.596
  629   1HA   GLY  87          2HA       GLY  87  -4.580   8.174  -0.710
  630   2HA   GLY  87          1HA       GLY  87  -4.065   6.493  -0.866
  631    H    GLU  88           HN       GLU  88  -6.105   7.846  -2.457
  632    HA   GLU  88           HA       GLU  88  -8.336   5.960  -1.934
  633   1HB   GLU  88          2HB       GLU  88  -9.981   7.804  -2.374
  634   2HB   GLU  88          1HB       GLU  88  -9.086   8.010  -0.868
  635   1HG   GLU  88          2HG       GLU  88  -7.587   9.606  -1.912
  636   2HG   GLU  88          1HG       GLU  88  -8.308   9.309  -3.494
   
  No H/Q in entry =         636
  Start of MODEL    6
    1   1H    ALA   2          3HT       ALA   2  -4.115 -10.169  -9.703
    2   2H    ALA   2          2HT       ALA   2  -5.468 -11.176  -9.504
    3   3H    ALA   2          1HT       ALA   2  -5.575  -9.788 -10.477
    4    HA   ALA   2           HA       ALA   2  -6.587  -9.051  -8.574
    5   1HB   ALA   2          2HB       ALA   2  -4.904 -11.143  -7.383
    6   2HB   ALA   2          1HB       ALA   2  -5.054  -9.709  -6.369
    7   3HB   ALA   2          3HB       ALA   2  -6.498 -10.570  -6.897
    8    H    GLN   3           HN       GLN   3  -6.146  -6.918  -8.570
    9    HA   GLN   3           HA       GLN   3  -3.875  -5.770  -7.280
   10   1HB   GLN   3          2HB       GLN   3  -2.785  -4.779  -9.332
   11   2HB   GLN   3          1HB       GLN   3  -2.559  -6.517  -9.162
   12   1HG   GLN   3          2HG       GLN   3  -4.548  -6.847 -10.680
   13   2HG   GLN   3          1HG       GLN   3  -4.543  -5.106 -10.962
   14   1HE2  GLN   3          2HE2      GLN   3  -1.958  -7.428 -12.990
   15   2HE2  GLN   3          1HE2      GLN   3  -3.202  -8.068 -12.028
   16    H    LYS   4           HN       LYS   4  -4.029  -3.463  -7.229
   17    HA   LYS   4           HA       LYS   4  -6.249  -2.218  -8.756
   18   1HB   LYS   4          2HB       LYS   4  -7.221  -3.072  -6.608
   19   2HB   LYS   4          1HB       LYS   4  -6.083  -2.048  -5.733
   20   1HG   LYS   4          2HG       LYS   4  -7.071  -0.057  -6.542
   21   2HG   LYS   4          1HG       LYS   4  -7.921  -0.903  -7.836
   22   1HD   LYS   4          2HD       LYS   4  -8.521  -1.732  -5.033
   23   2HD   LYS   4          1HD       LYS   4  -9.160  -0.179  -5.573
   24   1HE   LYS   4          2HE       LYS   4 -10.467  -1.152  -7.252
   25   2HE   LYS   4          1HE       LYS   4  -9.481  -2.613  -7.309
   26   1HZ   LYS   4          2HZ       LYS   4 -11.119  -1.841  -4.962
   27   2HZ   LYS   4          1HZ       LYS   4 -11.681  -2.867  -6.194
   28   3HZ   LYS   4          3HZ       LYS   4 -10.353  -3.330  -5.245
   29    H    THR   5           HN       THR   5  -6.019   0.058  -8.945
   30    HA   THR   5           HA       THR   5  -3.286   1.038  -8.398
   31    HB   THR   5           HB       THR   5  -5.523   2.562  -9.746
   32    HG1  THR   5           HG1      THR   5  -3.652   0.803 -10.945
   33   1HG2  THR   5          3HG2      THR   5  -2.510   2.689  -9.708
   34   2HG2  THR   5          2HG2      THR   5  -3.446   3.436 -11.003
   35   3HG2  THR   5          1HG2      THR   5  -3.667   3.967  -9.336
   36    H    PHE   6           HN       PHE   6  -2.820   2.488  -6.789
   37    HA   PHE   6           HA       PHE   6  -5.137   3.616  -5.268
   38   1HB   PHE   6          2HB       PHE   6  -2.426   2.660  -4.329
   39   2HB   PHE   6          1HB       PHE   6  -3.487   3.647  -3.324
   40    HD1  PHE   6          1HD       PHE   6  -3.240   0.424  -5.169
   41    HD2  PHE   6          2HD       PHE   6  -5.394   2.717  -2.244
   42    HE1  PHE   6          1HE       PHE   6  -4.535  -1.596  -4.538
   43    HE2  PHE   6          2HE       PHE   6  -6.683   0.698  -1.620
   44    HZ   PHE   6           HZ       PHE   6  -6.261  -1.458  -2.759
   45    H    LYS   7           HN       LYS   7  -4.961   5.778  -4.554
   46    HA   LYS   7           HA       LYS   7  -2.829   7.362  -5.929
   47   1HB   LYS   7          2HB       LYS   7  -5.725   7.869  -5.365
   48   2HB   LYS   7          1HB       LYS   7  -4.627   9.249  -5.409
   49   1HG   LYS   7          2HG       LYS   7  -4.423   7.248  -7.615
   50   2HG   LYS   7          1HG       LYS   7  -5.807   8.343  -7.626
   51   1HD   LYS   7          2HD       LYS   7  -3.055   9.453  -7.165
   52   2HD   LYS   7          1HD       LYS   7  -3.569   9.066  -8.808
   53   1HE   LYS   7          2HE       LYS   7  -5.294  10.729  -6.975
   54   2HE   LYS   7          1HE       LYS   7  -4.030  11.461  -7.963
   55   1HZ   LYS   7          1HZ       LYS   7  -5.134  10.133  -9.854
   56   2HZ   LYS   7          3HZ       LYS   7  -6.478  10.067  -8.822
   57   3HZ   LYS   7          2HZ       LYS   7  -5.867  11.571  -9.324
   58    H    VAL   8           HN       VAL   8  -1.298   8.023  -4.515
   59    HA   VAL   8           HA       VAL   8  -1.671   8.007  -1.656
   60    HB   VAL   8           HB       VAL   8   0.495   9.513  -3.145
   61   1HG1  VAL   8          2HG1      VAL   8   0.268   9.778  -0.660
   62   2HG1  VAL   8          1HG1      VAL   8   0.503   8.038  -0.496
   63   3HG1  VAL   8          3HG1      VAL   8   1.796   9.046  -1.146
   64   1HG2  VAL   8          1HG2      VAL   8   0.170   6.553  -2.621
   65   2HG2  VAL   8          3HG2      VAL   8   0.582   7.353  -4.137
   66   3HG2  VAL   8          2HG2      VAL   8   1.763   7.283  -2.828
   67    H    THR   9           HN       THR   9  -3.039   9.438  -0.711
   68    HA   THR   9           HA       THR   9  -2.948  12.280  -1.640
   69    HB   THR   9           HB       THR   9  -5.265  11.164  -0.096
   70    HG1  THR   9           HG1      THR   9  -6.134  10.347  -1.926
   71   1HG2  THR   9          1HG2      THR   9  -4.738  13.646  -0.926
   72   2HG2  THR   9          3HG2      THR   9  -5.454  13.031  -2.416
   73   3HG2  THR   9          2HG2      THR   9  -6.382  13.006  -0.916
   74    H    ALA  10           HN       ALA  10  -2.169  10.213   0.952
   75    HA   ALA  10           HA       ALA  10  -2.818  11.822   3.213
   76   1HB   ALA  10          2HB       ALA  10  -1.880   9.399   3.106
   77   2HB   ALA  10          1HB       ALA  10  -0.298  10.175   3.042
   78   3HB   ALA  10          3HB       ALA  10  -1.353  10.436   4.432
   79    H    ASP  11           HN       ASP  11  -1.713  13.510   4.216
   80    HA   ASP  11           HA       ASP  11  -0.095  15.230   2.604
   81   1HB   ASP  11          2HB       ASP  11   0.341  16.433   4.766
   82   2HB   ASP  11          1HB       ASP  11  -1.370  16.134   4.465
   83    H    SER  12           HN       SER  12   0.739  12.866   5.123
   84    HA   SER  12           HA       SER  12   3.585  13.450   5.022
   85   1HB   SER  12          2HB       SER  12   3.810  11.425   6.409
   86   2HB   SER  12          1HB       SER  12   2.523  12.458   7.024
   87    HG   SER  12           HG       SER  12   1.024  11.109   6.105
   88    H    GLY  13           HN       GLY  13   1.401  11.260   3.355
   89   1HA   GLY  13          2HA       GLY  13   1.939  10.381   1.155
   90   2HA   GLY  13          1HA       GLY  13   3.651  10.480   1.570
   91    H    ILE  14           HN       ILE  14   4.129   8.295   1.176
   92    HA   ILE  14           HA       ILE  14   2.733   6.326   2.945
   93    HB   ILE  14           HB       ILE  14   4.265   5.743   0.394
   94   1HG1  ILE  14          2HG1      ILE  14   1.262   5.860   0.811
   95   2HG1  ILE  14          1HG1      ILE  14   2.201   7.128   0.022
   96   1HG2  ILE  14          1HG2      ILE  14   2.870   4.136   2.459
   97   2HG2  ILE  14          3HG2      ILE  14   2.542   3.679   0.789
   98   3HG2  ILE  14          2HG2      ILE  14   4.199   3.688   1.391
   99   1HD1  ILE  14          3HD1      ILE  14   2.489   4.304  -0.942
  100   2HD1  ILE  14          2HD1      ILE  14   1.067   5.230  -1.424
  101   3HD1  ILE  14          1HD1      ILE  14   2.680   5.813  -1.834
  102   1HN   HIP  15           HN       HIP  15   4.538   7.576   4.357
  103    HA   HIP  15           HA       HIP  15   7.203   6.414   4.002
  104   1HB   HIP  15          1HB       HIP  15   6.870   8.792   4.743
  105   2HB   HIP  15          2HB       HIP  15   7.921   7.855   5.785
  106    HD2  HIP  15          2HD       HIP  15   3.980   8.400   5.967
  107    HE2  HIP  15          2HE       HIP  15   3.502   8.999   8.449
  108    HE1  HIP  15          1HE       HIP  15   5.661   9.051   9.772
  109    H    ALA  16           HN       ALA  16   7.463   6.311   7.116
  110    HA   ALA  16           HA       ALA  16   7.059   3.468   7.285
  111   1HB   ALA  16          2HB       ALA  16   8.680   5.202   8.567
  112   2HB   ALA  16          1HB       ALA  16   7.433   4.994   9.796
  113   3HB   ALA  16          3HB       ALA  16   8.308   3.591   9.182
  114    H    ARG  17           HN       ARG  17   5.339   6.196   8.885
  115    HA   ARG  17           HA       ARG  17   3.653   4.723  10.556
  116   1HB   ARG  17          2HB       ARG  17   3.814   7.372   9.791
  117   2HB   ARG  17          1HB       ARG  17   2.218   6.903   9.209
  118   1HG   ARG  17          2HG       ARG  17   1.904   7.652  11.457
  119   2HG   ARG  17          1HG       ARG  17   1.821   5.890  11.519
  120   1HD   ARG  17          2HD       ARG  17   4.043   5.717  12.371
  121   2HD   ARG  17          1HD       ARG  17   4.396   7.402  11.996
  122    HE   ARG  17           HE       ARG  17   3.069   6.446  14.386
  123   1HH1  ARG  17          HH11      ARG  17   0.926   7.938  14.380
  124   2HH1  ARG  17          HH12      ARG  17   1.364   9.612  14.459
  125   1HH2  ARG  17          HH21      ARG  17   4.650   9.069  13.497
  126   2HH2  ARG  17          HH22      ARG  17   3.472  10.252  13.959
  127    HA   PRO  18           HA       PRO  18   0.430   4.074   7.095
  128   1HB   PRO  18          2HB       PRO  18   1.181   4.574   4.494
  129   2HB   PRO  18          1HB       PRO  18   0.375   5.761   5.533
  130   1HG   PRO  18          2HG       PRO  18   3.245   5.612   4.726
  131   2HG   PRO  18          1HG       PRO  18   2.267   7.031   5.139
  132   1HD   PRO  18          2HD       PRO  18   4.128   5.799   6.834
  133   2HD   PRO  18          1HD       PRO  18   2.853   6.916   7.354
  134    H    ALA  19           HN       ALA  19   3.814   3.403   6.459
  135    HA   ALA  19           HA       ALA  19   3.359   0.995   4.898
  136   1HB   ALA  19          3HB       ALA  19   5.489   2.277   4.802
  137   2HB   ALA  19          2HB       ALA  19   5.809   1.834   6.479
  138   3HB   ALA  19          1HB       ALA  19   5.751   0.587   5.234
  139    H    THR  20           HN       THR  20   3.240   1.755   8.278
  140    HA   THR  20           HA       THR  20   3.707  -1.018   9.143
  141    HB   THR  20           HB       THR  20   2.529   1.037  10.962
  142    HG1  THR  20           HG1      THR  20   5.217   1.058  10.058
  143   1HG2  THR  20          2HG2      THR  20   3.340  -1.401  11.469
  144   2HG2  THR  20          1HG2      THR  20   4.948  -0.676  11.444
  145   3HG2  THR  20          3HG2      THR  20   3.741  -0.106  12.597
  146    H    VAL  21           HN       VAL  21   1.048   1.212   8.568
  147    HA   VAL  21           HA       VAL  21  -1.009  -0.460   9.748
  148    HB   VAL  21           HB       VAL  21  -1.349   1.612   7.587
  149   1HG1  VAL  21          2HG1      VAL  21  -3.255   0.040   8.272
  150   2HG1  VAL  21          1HG1      VAL  21  -3.231   0.867   9.829
  151   3HG1  VAL  21          3HG1      VAL  21  -3.597   1.768   8.358
  152   1HG2  VAL  21          3HG2      VAL  21  -0.841   1.881  10.535
  153   2HG2  VAL  21          2HG2      VAL  21  -0.236   2.872   9.208
  154   3HG2  VAL  21          1HG2      VAL  21  -1.908   3.040   9.741
  155    H    LEU  22           HN       LEU  22   0.415  -0.066   6.575
  156    HA   LEU  22           HA       LEU  22  -1.470  -1.793   5.205
  157   1HB   LEU  22          2HB       LEU  22   1.283  -0.782   4.454
  158   2HB   LEU  22          1HB       LEU  22   0.188  -1.622   3.354
  159    HG   LEU  22           HG       LEU  22  -0.606   0.893   4.836
  160   1HD1  LEU  22          3HD1      LEU  22   0.976   0.484   2.328
  161   2HD1  LEU  22          2HD1      LEU  22  -0.240   1.764   2.324
  162   3HD1  LEU  22          1HD1      LEU  22   1.064   1.792   3.511
  163   1HD2  LEU  22          2HD2      LEU  22  -2.161  -0.930   3.558
  164   2HD2  LEU  22          1HD2      LEU  22  -2.539   0.791   3.594
  165   3HD2  LEU  22          3HD2      LEU  22  -1.726   0.096   2.192
  166    H    VAL  23           HN       VAL  23   1.953  -2.184   6.207
  167    HA   VAL  23           HA       VAL  23   2.292  -4.858   5.371
  168    HB   VAL  23           HB       VAL  23   4.139  -3.420   6.183
  169   1HG1  VAL  23          3HG1      VAL  23   2.708  -2.543   8.138
  170   2HG1  VAL  23          2HG1      VAL  23   3.191  -4.011   8.989
  171   3HG1  VAL  23          1HG1      VAL  23   4.412  -2.853   8.465
  172   1HG2  VAL  23          3HG2      VAL  23   4.237  -5.976   6.209
  173   2HG2  VAL  23          2HG2      VAL  23   5.387  -5.153   7.263
  174   3HG2  VAL  23          1HG2      VAL  23   3.928  -5.877   7.942
  175    H    GLN  24           HN       GLN  24   0.572  -3.591   8.147
  176    HA   GLN  24           HA       GLN  24   0.406  -6.108   9.585
  177   1HB   GLN  24          2HB       GLN  24  -1.078  -3.484   9.749
  178   2HB   GLN  24          1HB       GLN  24  -1.556  -4.870  10.727
  179   1HG   GLN  24          2HG       GLN  24   1.302  -4.545  10.902
  180   2HG   GLN  24          1HG       GLN  24   0.527  -3.003  11.258
  181   1HE2  GLN  24          2HE2      GLN  24  -0.787  -6.104  13.615
  182   2HE2  GLN  24          1HE2      GLN  24  -0.695  -6.319  11.933
  183    H    THR  25           HN       THR  25  -1.796  -4.337   7.402
  184    HA   THR  25           HA       THR  25  -3.964  -6.189   7.537
  185    HB   THR  25           HB       THR  25  -3.317  -4.694   5.011
  186    HG1  THR  25           HG1      THR  25  -4.284  -3.582   7.433
  187   1HG2  THR  25          1HG2      THR  25  -5.790  -5.450   6.564
  188   2HG2  THR  25          3HG2      THR  25  -5.832  -4.233   5.289
  189   3HG2  THR  25          2HG2      THR  25  -5.359  -5.890   4.912
  190    H    ALA  26           HN       ALA  26  -1.594  -5.833   4.868
  191    HA   ALA  26           HA       ALA  26  -2.250  -8.205   3.498
  192   1HB   ALA  26          3HB       ALA  26   0.381  -6.730   3.740
  193   2HB   ALA  26          2HB       ALA  26   0.127  -8.072   2.624
  194   3HB   ALA  26          1HB       ALA  26  -0.814  -6.590   2.451
  195    H    SER  27           HN       SER  27  -0.469  -7.821   6.475
  196    HA   SER  27           HA       SER  27   1.077 -10.204   6.465
  197   1HB   SER  27          2HB       SER  27   0.539  -8.167   8.291
  198   2HB   SER  27          1HB       SER  27  -0.090  -9.608   9.081
  199    HG   SER  27           HG       SER  27   2.106  -9.377   9.537
  200    H    LYS  28           HN       LYS  28  -2.295  -9.661   7.482
  201    HA   LYS  28           HA       LYS  28  -2.772 -12.351   8.368
  202   1HB   LYS  28          2HB       LYS  28  -4.473 -10.003   7.629
  203   2HB   LYS  28          1HB       LYS  28  -5.242 -11.587   7.743
  204   1HG   LYS  28          2HG       LYS  28  -4.832 -11.778  10.015
  205   2HG   LYS  28          1HG       LYS  28  -3.408 -10.738   9.951
  206   1HD   LYS  28          2HD       LYS  28  -4.790  -8.763   9.675
  207   2HD   LYS  28          1HD       LYS  28  -6.244  -9.752   9.544
  208   1HE   LYS  28          2HE       LYS  28  -6.032 -10.491  11.834
  209   2HE   LYS  28          1HE       LYS  28  -4.450  -9.725  11.984
  210   1HZ   LYS  28          3HZ       LYS  28  -5.606  -7.581  11.476
  211   2HZ   LYS  28          2HZ       LYS  28  -7.082  -8.402  11.657
  212   3HZ   LYS  28          1HZ       LYS  28  -6.010  -8.276  12.969
  213    H    TYR  29           HN       TYR  29  -2.856 -10.810   5.212
  214    HA   TYR  29           HA       TYR  29  -4.144 -13.166   3.983
  215   1HB   TYR  29          2HB       TYR  29  -3.057 -10.644   2.683
  216   2HB   TYR  29          1HB       TYR  29  -4.069 -11.869   1.910
  217    HD1  TYR  29          2HD       TYR  29  -6.414 -12.221   2.647
  218    HD2  TYR  29          1HD       TYR  29  -4.003  -9.027   4.208
  219    HE1  TYR  29          2HE       TYR  29  -8.450 -11.119   3.536
  220    HE2  TYR  29          1HE       TYR  29  -6.039  -7.926   5.100
  221    HH   TYR  29           HH       TYR  29  -8.862  -9.400   5.575
  222    H    ASP  30           HN       ASP  30  -3.014 -14.816   3.147
  223    HA   ASP  30           HA       ASP  30  -0.121 -14.870   3.279
  224   1HB   ASP  30          2HB       ASP  30  -2.110 -16.787   2.031
  225   2HB   ASP  30          1HB       ASP  30  -0.385 -17.113   2.203
  226    H    ALA  31           HN       ALA  31  -2.371 -13.858   0.851
  227    HA   ALA  31           HA       ALA  31  -0.951 -14.445  -1.526
  228   1HB   ALA  31          1HB       ALA  31  -2.837 -12.233  -0.737
  229   2HB   ALA  31          3HB       ALA  31  -2.075 -12.234  -2.326
  230   3HB   ALA  31          2HB       ALA  31  -3.113 -13.576  -1.846
  231    H    ASP  32           HN       ASP  32   0.631 -13.283  -2.689
  232    HA   ASP  32           HA       ASP  32   2.390 -11.605  -1.014
  233   1HB   ASP  32          2HB       ASP  32   2.662 -12.958  -3.694
  234   2HB   ASP  32          1HB       ASP  32   3.807 -11.709  -3.202
  235    H    VAL  33           HN       VAL  33   1.182  -9.660  -0.893
  236    HA   VAL  33           HA       VAL  33   0.439  -8.311  -3.411
  237    HB   VAL  33           HB       VAL  33  -0.614  -6.633  -1.974
  238   1HG1  VAL  33          3HG1      VAL  33  -1.345  -9.333  -2.123
  239   2HG1  VAL  33          2HG1      VAL  33  -1.514  -8.936  -0.412
  240   3HG1  VAL  33          1HG1      VAL  33  -2.380  -7.995  -1.626
  241   1HG2  VAL  33          3HG2      VAL  33   0.669  -8.181   0.301
  242   2HG2  VAL  33          2HG2      VAL  33   1.052  -6.530  -0.183
  243   3HG2  VAL  33          1HG2      VAL  33  -0.526  -6.904   0.505
  244    H    ASN  34           HN       ASN  34   1.726  -6.823  -4.383
  245    HA   ASN  34           HA       ASN  34   3.977  -5.668  -2.780
  246   1HB   ASN  34          2HB       ASN  34   3.979  -6.592  -5.668
  247   2HB   ASN  34          1HB       ASN  34   5.297  -5.697  -4.911
  248   1HD2  ASN  34          2HD2      ASN  34   6.577  -8.958  -4.213
  249   2HD2  ASN  34          1HD2      ASN  34   6.714  -7.614  -5.241
  250    H    LEU  35           HN       LEU  35   4.196  -3.473  -2.908
  251    HA   LEU  35           HA       LEU  35   2.190  -1.980  -4.485
  252   1HB   LEU  35          2HB       LEU  35   2.790  -1.485  -2.040
  253   2HB   LEU  35          1HB       LEU  35   4.306  -0.828  -2.654
  254    HG   LEU  35           HG       LEU  35   2.038   0.203  -4.169
  255   1HD1  LEU  35          1HD1      LEU  35   1.857   0.173  -1.203
  256   2HD1  LEU  35          3HD1      LEU  35   1.523   1.718  -1.988
  257   3HD1  LEU  35          2HD1      LEU  35   0.575   0.292  -2.410
  258   1HD2  LEU  35          3HD2      LEU  35   4.385   1.127  -4.013
  259   2HD2  LEU  35          2HD2      LEU  35   3.121   2.321  -3.714
  260   3HD2  LEU  35          1HD2      LEU  35   4.015   1.627  -2.363
  261    H    GLU  36           HN       GLU  36   2.848  -0.243  -5.940
  262    HA   GLU  36           HA       GLU  36   5.628  -0.575  -7.005
  263   1HB   GLU  36          2HB       GLU  36   3.839  -1.556  -8.479
  264   2HB   GLU  36          1HB       GLU  36   3.148   0.060  -8.628
  265   1HG   GLU  36          2HG       GLU  36   5.645   0.690  -9.291
  266   2HG   GLU  36          1HG       GLU  36   5.710  -1.015  -9.736
  267    H    TYR  37           HN       TYR  37   6.714   1.326  -7.547
  268    HA   TYR  37           HA       TYR  37   5.322   3.895  -7.661
  269   1HB   TYR  37          2HB       TYR  37   5.534   3.476  -5.198
  270   2HB   TYR  37          1HB       TYR  37   7.285   3.406  -5.400
  271    HD1  TYR  37          1HD       TYR  37   4.393   5.618  -6.329
  272    HD2  TYR  37          2HD       TYR  37   8.498   5.369  -5.087
  273    HE1  TYR  37          1HE       TYR  37   4.511   8.092  -6.220
  274    HE2  TYR  37          2HE       TYR  37   8.614   7.843  -4.975
  275    HH   TYR  37           HH       TYR  37   6.466   9.848  -6.408
  276    H    ASN  38           HN       ASN  38   6.435   5.136  -9.086
  277    HA   ASN  38           HA       ASN  38   8.167   5.919 -10.453
  278   1HB   ASN  38          2HB       ASN  38   9.490   5.217  -7.884
  279   2HB   ASN  38          1HB       ASN  38  10.549   5.411  -9.280
  280   1HD2  ASN  38          2HD2      ASN  38   9.510   8.896  -9.748
  281   2HD2  ASN  38          1HD2      ASN  38   9.741   7.499 -10.685
  282    H    GLY  39           HN       GLY  39   7.173   3.248 -10.897
  283   1HA   GLY  39          2HA       GLY  39   7.695   1.477 -12.344
  284   2HA   GLY  39          1HA       GLY  39   9.233   2.274 -12.661
  285    H    LYS  40           HN       LYS  40   8.400   1.562  -9.353
  286    HA   LYS  40           HA       LYS  40  10.384  -0.680  -9.396
  287   1HB   LYS  40          2HB       LYS  40   9.922   1.558  -7.454
  288   2HB   LYS  40          1HB       LYS  40  10.510   0.013  -6.841
  289   1HG   LYS  40          2HG       LYS  40  12.492   1.185  -7.336
  290   2HG   LYS  40          1HG       LYS  40  12.257   0.167  -8.757
  291   1HD   LYS  40          2HD       LYS  40  11.271   2.011  -9.987
  292   2HD   LYS  40          1HD       LYS  40  11.303   3.037  -8.553
  293   1HE   LYS  40          2HE       LYS  40  13.670   3.178  -8.568
  294   2HE   LYS  40          1HE       LYS  40  13.824   1.815  -9.678
  295   1HZ   LYS  40          3HZ       LYS  40  12.737   3.154 -11.387
  296   2HZ   LYS  40          2HZ       LYS  40  12.656   4.471 -10.316
  297   3HZ   LYS  40          1HZ       LYS  40  14.164   3.888 -10.838
  298    H    THR  41           HN       THR  41   9.976  -2.244  -7.484
  299    HA   THR  41           HA       THR  41   7.109  -2.416  -6.746
  300    HB   THR  41           HB       THR  41   8.581  -4.713  -8.069
  301    HG1  THR  41           HG1      THR  41   6.585  -2.943  -9.028
  302   1HG2  THR  41          1HG2      THR  41   5.704  -4.342  -7.187
  303   2HG2  THR  41          3HG2      THR  41   6.308  -5.724  -8.102
  304   3HG2  THR  41          2HG2      THR  41   6.886  -5.433  -6.462
  305    H    VAL  42           HN       VAL  42   7.590  -2.209  -4.561
  306    HA   VAL  42           HA       VAL  42   9.512  -4.165  -3.385
  307    HB   VAL  42           HB       VAL  42   8.903  -2.762  -1.225
  308   1HG1  VAL  42          2HG1      VAL  42  11.030  -2.836  -2.949
  309   2HG1  VAL  42          1HG1      VAL  42  10.623  -1.120  -2.948
  310   3HG1  VAL  42          3HG1      VAL  42  10.984  -1.942  -1.428
  311   1HG2  VAL  42          3HG2      VAL  42   7.152  -1.416  -2.443
  312   2HG2  VAL  42          2HG2      VAL  42   8.388  -0.437  -1.654
  313   3HG2  VAL  42          1HG2      VAL  42   8.447  -0.695  -3.398
  314    H    ASN  43           HN       ASN  43   8.825  -5.595  -1.766
  315    HA   ASN  43           HA       ASN  43   6.072  -6.468  -1.912
  316   1HB   ASN  43          2HB       ASN  43   8.248  -7.803  -1.268
  317   2HB   ASN  43          1HB       ASN  43   7.916  -7.194   0.355
  318   1HD2  ASN  43          2HD2      ASN  43   5.862 -10.361  -0.916
  319   2HD2  ASN  43          1HD2      ASN  43   7.313  -9.820  -1.612
  320    H    LEU  44           HN       LEU  44   4.419  -6.147  -0.314
  321    HA   LEU  44           HA       LEU  44   4.566  -3.646   1.096
  322   1HB   LEU  44          2HB       LEU  44   2.445  -4.795   0.286
  323   2HB   LEU  44          1HB       LEU  44   2.582  -5.828   1.715
  324    HG   LEU  44           HG       LEU  44   2.921  -3.506   2.946
  325   1HD1  LEU  44          2HD1      LEU  44   1.357  -2.761   0.474
  326   2HD1  LEU  44          1HD1      LEU  44   1.532  -1.744   1.907
  327   3HD1  LEU  44          3HD1      LEU  44   2.950  -2.157   0.940
  328   1HD2  LEU  44          3HD2      LEU  44   0.583  -5.128   2.261
  329   2HD2  LEU  44          2HD2      LEU  44   1.102  -4.484   3.817
  330   3HD2  LEU  44          1HD2      LEU  44   0.179  -3.472   2.709
  331    H    LYS  45           HN       LYS  45   5.835  -6.707   1.907
  332    HA   LYS  45           HA       LYS  45   5.639  -6.250   4.815
  333   1HB   LYS  45          2HB       LYS  45   7.050  -8.395   3.189
  334   2HB   LYS  45          1HB       LYS  45   6.966  -8.363   4.951
  335   1HG   LYS  45          2HG       LYS  45   4.780  -9.025   4.991
  336   2HG   LYS  45          1HG       LYS  45   4.367  -8.098   3.549
  337   1HD   LYS  45          2HD       LYS  45   5.856  -9.873   2.314
  338   2HD   LYS  45          1HD       LYS  45   5.551 -10.853   3.749
  339   1HE   LYS  45          2HE       LYS  45   3.039 -10.040   3.290
  340   2HE   LYS  45          1HE       LYS  45   3.651  -9.937   1.639
  341   1HZ   LYS  45          1HZ       LYS  45   4.554 -12.257   2.054
  342   2HZ   LYS  45          3HZ       LYS  45   3.534 -12.302   3.409
  343   3HZ   LYS  45          2HZ       LYS  45   2.873 -12.109   1.856
  344    H    SER  46           HN       SER  46   6.859  -4.094   3.594
  345    HA   SER  46           HA       SER  46   9.610  -4.304   4.665
  346   1HB   SER  46          2HB       SER  46   9.902  -4.891   2.292
  347   2HB   SER  46          1HB       SER  46   9.037  -3.437   1.800
  348    HG   SER  46           HG       SER  46  11.611  -3.720   2.379
  349    H    ILE  47           HN       ILE  47   8.694  -2.876   6.253
  350    HA   ILE  47           HA       ILE  47   7.459  -0.369   5.560
  351    HB   ILE  47           HB       ILE  47   8.889  -1.093   8.129
  352   1HG1  ILE  47          2HG1      ILE  47   6.006  -1.523   7.258
  353   2HG1  ILE  47          1HG1      ILE  47   7.199  -2.788   7.540
  354   1HG2  ILE  47          1HG2      ILE  47   8.042   1.350   7.409
  355   2HG2  ILE  47          3HG2      ILE  47   6.499   0.695   7.960
  356   3HG2  ILE  47          2HG2      ILE  47   7.873   0.762   9.063
  357   1HD1  ILE  47          3HD1      ILE  47   7.360  -1.489   9.905
  358   2HD1  ILE  47          2HD1      ILE  47   5.675  -1.164   9.499
  359   3HD1  ILE  47          1HD1      ILE  47   6.248  -2.827   9.619
  360    H    MET  48           HN       MET  48  10.787  -1.325   6.340
  361    HA   MET  48           HA       MET  48  11.829   1.383   6.246
  362   1HB   MET  48          2HB       MET  48  12.882  -0.653   7.410
  363   2HB   MET  48          1HB       MET  48  13.433  -1.141   5.808
  364   1HG   MET  48          2HG       MET  48  14.798   0.767   5.561
  365   2HG   MET  48          1HG       MET  48  13.960   1.640   6.844
  366   1HE   MET  48          1HE       MET  48  17.135   0.601   6.048
  367   2HE   MET  48          3HE       MET  48  16.806   1.976   7.111
  368   3HE   MET  48          2HE       MET  48  17.838   0.659   7.663
  369    H    GLY  49           HN       GLY  49  11.290  -1.169   3.898
  370   1HA   GLY  49          2HA       GLY  49  12.966  -0.086   1.813
  371   2HA   GLY  49          1HA       GLY  49  11.657  -1.246   1.577
  372    H    VAL  50           HN       VAL  50   9.563   0.360   2.710
  373    HA   VAL  50           HA       VAL  50   8.743   1.857   0.427
  374    HB   VAL  50           HB       VAL  50   7.779   2.158   3.289
  375   1HG1  VAL  50          3HG1      VAL  50   7.131   3.877   1.450
  376   2HG1  VAL  50          2HG1      VAL  50   6.176   2.561   0.767
  377   3HG1  VAL  50          1HG1      VAL  50   5.835   3.146   2.395
  378   1HG2  VAL  50          2HG2      VAL  50   7.801  -0.173   1.879
  379   2HG2  VAL  50          1HG2      VAL  50   6.547   0.245   3.045
  380   3HG2  VAL  50          3HG2      VAL  50   6.278   0.517   1.324
  381    H    VAL  51           HN       VAL  51  10.625   2.756   3.243
  382    HA   VAL  51           HA       VAL  51  10.381   5.636   2.720
  383    HB   VAL  51           HB       VAL  51  12.290   4.178   4.573
  384   1HG1  VAL  51          3HG1      VAL  51  11.308   7.047   4.449
  385   2HG1  VAL  51          2HG1      VAL  51  12.300   6.381   5.747
  386   3HG1  VAL  51          1HG1      VAL  51  12.946   6.487   4.109
  387   1HG2  VAL  51          3HG2      VAL  51   9.417   5.003   4.831
  388   2HG2  VAL  51          2HG2      VAL  51  10.223   3.557   5.442
  389   3HG2  VAL  51          1HG2      VAL  51  10.460   5.107   6.250
  390    H    SER  52           HN       SER  52  12.541   3.016   1.870
  391    HA   SER  52           HA       SER  52  14.881   4.502   1.224
  392   1HB   SER  52          2HB       SER  52  15.552   2.592  -0.058
  393   2HB   SER  52          1HB       SER  52  14.623   1.968   1.302
  394    HG   SER  52           HG       SER  52  13.635   1.004  -0.331
  395    H    LEU  53           HN       LEU  53  11.952   3.822  -0.668
  396    HA   LEU  53           HA       LEU  53  12.901   4.963  -3.131
  397   1HB   LEU  53          2HB       LEU  53  10.236   4.225  -1.993
  398   2HB   LEU  53          1HB       LEU  53  10.266   5.303  -3.389
  399    HG   LEU  53           HG       LEU  53  12.012   3.495  -4.287
  400   1HD1  LEU  53          1HD1      LEU  53  11.839   2.208  -2.121
  401   2HD1  LEU  53          3HD1      LEU  53  10.164   1.847  -2.538
  402   3HD1  LEU  53          2HD1      LEU  53  11.473   1.254  -3.559
  403   1HD2  LEU  53          1HD2      LEU  53   8.989   3.247  -4.270
  404   2HD2  LEU  53          3HD2      LEU  53   9.983   4.071  -5.472
  405   3HD2  LEU  53          2HD2      LEU  53  10.038   2.314  -5.336
  406    H    GLY  54           HN       GLY  54  10.703   6.314  -0.643
  407   1HA   GLY  54          2HA       GLY  54  11.022   8.591   0.211
  408   2HA   GLY  54          1HA       GLY  54  11.754   9.020  -1.336
  409    H    ILE  55           HN       ILE  55   8.684   7.400  -0.459
  410    HA   ILE  55           HA       ILE  55   7.252   8.815  -2.561
  411    HB   ILE  55           HB       ILE  55   6.122   7.215  -0.245
  412   1HG1  ILE  55          2HG1      ILE  55   6.669   6.210  -3.042
  413   2HG1  ILE  55          1HG1      ILE  55   7.870   6.067  -1.759
  414   1HG2  ILE  55          3HG2      ILE  55   5.036   8.330  -2.810
  415   2HG2  ILE  55          2HG2      ILE  55   4.375   6.818  -2.187
  416   3HG2  ILE  55          1HG2      ILE  55   4.294   8.286  -1.211
  417   1HD1  ILE  55          1HD1      ILE  55   6.229   4.846  -0.367
  418   2HD1  ILE  55          3HD1      ILE  55   5.044   4.969  -1.667
  419   3HD1  ILE  55          2HD1      ILE  55   6.512   4.019  -1.900
  420    H    ALA  56           HN       ALA  56   5.330  10.190  -2.086
  421    HA   ALA  56           HA       ALA  56   5.269  11.514   0.544
  422   1HB   ALA  56          2HB       ALA  56   6.931  12.582  -1.377
  423   2HB   ALA  56          1HB       ALA  56   5.439  13.484  -1.641
  424   3HB   ALA  56          3HB       ALA  56   6.208  13.495  -0.054
  425    H    LYS  57           HN       LYS  57   3.718  13.735  -0.236
  426    HA   LYS  57           HA       LYS  57   1.155  12.424  -0.736
  427   1HB   LYS  57          2HB       LYS  57   0.247  14.750  -0.518
  428   2HB   LYS  57          1HB       LYS  57   1.241  14.263   0.856
  429   1HG   LYS  57          2HG       LYS  57   3.059  15.591   0.173
  430   2HG   LYS  57          1HG       LYS  57   2.462  15.717  -1.482
  431   1HD   LYS  57          2HD       LYS  57   0.999  17.407  -0.973
  432   2HD   LYS  57          1HD       LYS  57   0.677  16.781   0.644
  433   1HE   LYS  57          2HE       LYS  57   3.437  17.764   0.147
  434   2HE   LYS  57          1HE       LYS  57   2.171  18.990   0.203
  435   1HZ   LYS  57          3HZ       LYS  57   1.435  17.876   2.323
  436   2HZ   LYS  57          2HZ       LYS  57   2.907  17.028   2.294
  437   3HZ   LYS  57          1HZ       LYS  57   2.901  18.724   2.400
  438    H    GLY  58           HN       GLY  58  -0.295  13.047  -2.495
  439   1HA   GLY  58          2HA       GLY  58  -0.784  13.449  -4.753
  440   2HA   GLY  58          1HA       GLY  58   0.515  14.643  -4.726
  441    H    ALA  59           HN       ALA  59   0.246  11.072  -4.561
  442    HA   ALA  59           HA       ALA  59   2.250  10.913  -6.759
  443   1HB   ALA  59          2HB       ALA  59   2.558   9.993  -3.971
  444   2HB   ALA  59          1HB       ALA  59   2.956   8.776  -5.184
  445   3HB   ALA  59          3HB       ALA  59   3.790  10.330  -5.187
  446    H    GLU  60           HN       GLU  60   2.381   8.497  -7.494
  447    HA   GLU  60           HA       GLU  60  -0.334   7.255  -7.326
  448   1HB   GLU  60          2HB       GLU  60   1.379   7.823  -9.743
  449   2HB   GLU  60          1HB       GLU  60   0.192   6.518  -9.764
  450   1HG   GLU  60          2HG       GLU  60  -1.610   7.964  -9.624
  451   2HG   GLU  60          1HG       GLU  60  -0.683   9.202  -8.774
  452    H    ILE  61           HN       ILE  61  -0.332   5.010  -7.140
  453    HA   ILE  61           HA       ILE  61   2.264   3.581  -7.392
  454    HB   ILE  61           HB       ILE  61   1.800   2.437  -5.195
  455   1HG1  ILE  61          2HG1      ILE  61  -0.239   4.677  -4.927
  456   2HG1  ILE  61          1HG1      ILE  61  -0.622   2.966  -5.108
  457   1HG2  ILE  61          1HG2      ILE  61   2.206   5.443  -5.238
  458   2HG2  ILE  61          3HG2      ILE  61   2.485   4.441  -3.814
  459   3HG2  ILE  61          2HG2      ILE  61   3.457   4.199  -5.265
  460   1HD1  ILE  61          2HD1      ILE  61   1.278   3.468  -2.933
  461   2HD1  ILE  61          1HD1      ILE  61  -0.264   4.290  -2.695
  462   3HD1  ILE  61          3HD1      ILE  61  -0.223   2.541  -2.922
  463    H    THR  62           HN       THR  62   1.916   1.168  -7.346
  464    HA   THR  62           HA       THR  62  -0.854   0.412  -8.169
  465    HB   THR  62           HB       THR  62   1.566  -0.768  -9.518
  466    HG1  THR  62           HG1      THR  62   0.156   1.593 -10.206
  467   1HG2  THR  62          3HG2      THR  62  -1.387  -0.685  -9.904
  468   2HG2  THR  62          2HG2      THR  62  -0.385  -0.704 -11.356
  469   3HG2  THR  62          1HG2      THR  62  -0.253  -2.010 -10.177
  470    H    ILE  63           HN       ILE  63  -1.539  -1.117  -6.784
  471    HA   ILE  63           HA       ILE  63   0.446  -2.886  -5.450
  472    HB   ILE  63           HB       ILE  63  -2.493  -2.368  -4.872
  473   1HG1  ILE  63          2HG1      ILE  63   0.004  -1.555  -3.351
  474   2HG1  ILE  63          1HG1      ILE  63  -0.921  -0.479  -4.398
  475   1HG2  ILE  63          3HG2      ILE  63  -0.442  -4.183  -3.610
  476   2HG2  ILE  63          2HG2      ILE  63  -1.775  -3.532  -2.656
  477   3HG2  ILE  63          1HG2      ILE  63  -2.110  -4.544  -4.063
  478   1HD1  ILE  63          2HD1      ILE  63  -2.840  -1.624  -2.705
  479   2HD1  ILE  63          1HD1      ILE  63  -1.463  -1.288  -1.656
  480   3HD1  ILE  63          3HD1      ILE  63  -2.190   0.012  -2.598
  481    H    SER  64           HN       SER  64   0.117  -5.198  -5.476
  482    HA   SER  64           HA       SER  64  -1.941  -6.280  -7.295
  483   1HB   SER  64          2HB       SER  64  -0.043  -7.634  -8.444
  484   2HB   SER  64          1HB       SER  64  -0.297  -5.965  -8.946
  485    HG   SER  64           HG       SER  64   1.516  -5.387  -7.980
  486    H    ALA  65           HN       ALA  65  -2.824  -7.777  -5.958
  487    HA   ALA  65           HA       ALA  65  -1.109  -9.310  -4.089
  488   1HB   ALA  65          3HB       ALA  65  -3.313  -8.366  -3.346
  489   2HB   ALA  65          2HB       ALA  65  -4.115  -9.434  -4.496
  490   3HB   ALA  65          1HB       ALA  65  -3.207 -10.114  -3.146
  491    H    SER  66           HN       SER  66  -0.457 -11.386  -4.546
  492    HA   SER  66           HA       SER  66  -1.939 -12.908  -6.638
  493   1HB   SER  66          2HB       SER  66   0.697 -11.783  -6.903
  494   2HB   SER  66          1HB       SER  66   0.811 -13.539  -6.950
  495    HG   SER  66           HG       SER  66  -0.439 -13.583  -8.706
  496    H    GLY  67           HN       GLY  67  -2.721 -14.527  -5.314
  497   1HA   GLY  67          2HA       GLY  67  -1.048 -16.647  -4.469
  498   2HA   GLY  67          1HA       GLY  67  -1.333 -15.625  -3.061
  499    H    ALA  68           HN       ALA  68  -2.833 -16.688  -1.849
  500    HA   ALA  68           HA       ALA  68  -5.043 -18.146  -3.154
  501   1HB   ALA  68          3HB       ALA  68  -4.063 -17.880  -0.315
  502   2HB   ALA  68          2HB       ALA  68  -5.648 -18.571  -0.660
  503   3HB   ALA  68          1HB       ALA  68  -4.194 -19.334  -1.305
  504    H    ASP  69           HN       ASP  69  -4.975 -15.840  -0.415
  505    HA   ASP  69           HA       ASP  69  -7.654 -14.874  -1.239
  506   1HB   ASP  69          2HB       ASP  69  -7.543 -13.619   0.950
  507   2HB   ASP  69          1HB       ASP  69  -7.439 -15.370   1.116
  508    H    GLU  70           HN       GLU  70  -5.706 -14.149  -3.049
  509    HA   GLU  70           HA       GLU  70  -4.421 -11.648  -2.559
  510   1HB   GLU  70          2HB       GLU  70  -4.287 -11.480  -5.034
  511   2HB   GLU  70          1HB       GLU  70  -3.802 -13.073  -4.453
  512   1HG   GLU  70          2HG       GLU  70  -6.352 -13.655  -4.825
  513   2HG   GLU  70          1HG       GLU  70  -6.299 -12.271  -5.910
  514    H    ASN  71           HN       ASN  71  -7.666 -12.427  -3.765
  515    HA   ASN  71           HA       ASN  71  -8.366  -9.720  -4.476
  516   1HB   ASN  71          2HB       ASN  71  -9.907 -12.251  -3.969
  517   2HB   ASN  71          1HB       ASN  71 -10.769 -10.722  -4.148
  518   1HD2  ASN  71          2HD2      ASN  71 -10.055 -10.414  -7.627
  519   2HD2  ASN  71          1HD2      ASN  71 -10.557  -9.580  -6.238
  520    H    ASP  72           HN       ASP  72  -8.682 -11.624  -1.505
  521    HA   ASP  72           HA       ASP  72 -10.232  -9.588  -0.115
  522   1HB   ASP  72          2HB       ASP  72  -8.733 -12.032   0.850
  523   2HB   ASP  72          1HB       ASP  72  -9.679 -10.989   1.911
  524    H    ALA  73           HN       ALA  73  -6.846 -10.106  -0.712
  525    HA   ALA  73           HA       ALA  73  -5.953  -8.529   1.583
  526   1HB   ALA  73          2HB       ALA  73  -4.480  -9.495  -0.882
  527   2HB   ALA  73          1HB       ALA  73  -3.721  -8.692   0.493
  528   3HB   ALA  73          3HB       ALA  73  -4.486 -10.267   0.704
  529    H    LEU  74           HN       LEU  74  -6.294  -7.978  -1.935
  530    HA   LEU  74           HA       LEU  74  -5.204  -5.328  -1.878
  531   1HB   LEU  74          2HB       LEU  74  -6.181  -5.046  -4.096
  532   2HB   LEU  74          1HB       LEU  74  -5.462  -6.645  -3.963
  533    HG   LEU  74           HG       LEU  74  -7.913  -7.316  -3.198
  534   1HD1  LEU  74          1HD1      LEU  74  -8.297  -4.614  -3.788
  535   2HD1  LEU  74          3HD1      LEU  74  -8.890  -5.441  -5.229
  536   3HD1  LEU  74          2HD1      LEU  74  -9.565  -5.829  -3.647
  537   1HD2  LEU  74          1HD2      LEU  74  -7.109  -6.778  -6.072
  538   2HD2  LEU  74          3HD2      LEU  74  -6.717  -8.224  -5.145
  539   3HD2  LEU  74          2HD2      LEU  74  -8.393  -7.874  -5.565
  540    H    ASN  75           HN       ASN  75  -8.549  -6.513  -1.559
  541    HA   ASN  75           HA       ASN  75  -9.584  -3.790  -1.306
  542   1HB   ASN  75          2HB       ASN  75 -11.725  -4.982  -0.624
  543   2HB   ASN  75          1HB       ASN  75 -11.122  -5.361  -2.235
  544   1HD2  ASN  75          2HD2      ASN  75 -11.621  -8.733  -1.214
  545   2HD2  ASN  75          1HD2      ASN  75 -12.246  -7.460  -2.142
  546    H    ALA  76           HN       ALA  76  -8.125  -6.066   0.834
  547    HA   ALA  76           HA       ALA  76  -9.409  -5.174   3.274
  548   1HB   ALA  76          3HB       ALA  76  -6.767  -6.567   2.747
  549   2HB   ALA  76          2HB       ALA  76  -7.390  -6.237   4.363
  550   3HB   ALA  76          1HB       ALA  76  -8.273  -7.311   3.280
  551    H    LEU  77           HN       LEU  77  -6.229  -4.484   1.774
  552    HA   LEU  77           HA       LEU  77  -5.516  -2.415   3.626
  553   1HB   LEU  77          2HB       LEU  77  -4.631  -2.738   0.747
  554   2HB   LEU  77          1HB       LEU  77  -3.793  -1.828   2.005
  555    HG   LEU  77           HG       LEU  77  -4.322  -4.532   2.924
  556   1HD1  LEU  77          1HD1      LEU  77  -4.110  -4.657   0.269
  557   2HD1  LEU  77          3HD1      LEU  77  -2.392  -4.559   0.652
  558   3HD1  LEU  77          2HD1      LEU  77  -3.368  -5.869   1.315
  559   1HD2  LEU  77          1HD2      LEU  77  -1.764  -3.024   2.303
  560   2HD2  LEU  77          3HD2      LEU  77  -2.617  -3.016   3.846
  561   3HD2  LEU  77          2HD2      LEU  77  -1.872  -4.502   3.259
  562    H    GLU  78           HN       GLU  78  -7.367  -2.431   0.611
  563    HA   GLU  78           HA       GLU  78  -7.406   0.381   0.144
  564   1HB   GLU  78          2HB       GLU  78  -8.169  -1.149  -1.568
  565   2HB   GLU  78          1HB       GLU  78  -9.422  -1.786  -0.512
  566   1HG   GLU  78          2HG       GLU  78 -10.407  -0.222  -2.121
  567   2HG   GLU  78          1HG       GLU  78 -10.515   0.451  -0.495
  568    H    GLU  79           HN       GLU  79  -9.826  -1.622   1.905
  569    HA   GLU  79           HA       GLU  79 -11.464   0.555   2.720
  570   1HB   GLU  79          2HB       GLU  79 -12.251  -0.976   4.525
  571   2HB   GLU  79          1HB       GLU  79 -12.225  -1.750   2.941
  572   1HG   GLU  79          2HG       GLU  79 -10.284  -2.990   3.444
  573   2HG   GLU  79          1HG       GLU  79  -9.867  -1.952   4.808
  574    H    THR  80           HN       THR  80  -8.403  -0.609   3.963
  575    HA   THR  80           HA       THR  80  -8.528   0.761   6.508
  576    HB   THR  80           HB       THR  80  -6.071  -0.010   4.901
  577    HG1  THR  80           HG1      THR  80  -6.198  -1.940   6.033
  578   1HG2  THR  80          1HG2      THR  80  -6.535   0.523   7.848
  579   2HG2  THR  80          3HG2      THR  80  -5.040  -0.127   7.174
  580   3HG2  THR  80          2HG2      THR  80  -5.569   1.499   6.741
  581    H    MET  81           HN       MET  81  -7.402   1.598   3.267
  582    HA   MET  81           HA       MET  81  -6.256   4.153   4.001
  583   1HB   MET  81          2HB       MET  81  -7.186   2.983   1.366
  584   2HB   MET  81          1HB       MET  81  -6.470   4.588   1.500
  585   1HG   MET  81          2HG       MET  81  -4.709   2.953   2.929
  586   2HG   MET  81          1HG       MET  81  -5.174   1.964   1.546
  587   1HE   MET  81          2HE       MET  81  -2.641   1.966   0.942
  588   2HE   MET  81          1HE       MET  81  -1.678   3.401   0.604
  589   3HE   MET  81          3HE       MET  81  -2.243   3.079   2.249
  590    H    LYS  82           HN       LYS  82  -9.476   3.014   3.241
  591    HA   LYS  82           HA       LYS  82 -10.595   5.644   2.700
  592   1HB   LYS  82          2HB       LYS  82 -11.904   3.002   3.419
  593   2HB   LYS  82          1HB       LYS  82 -12.778   4.448   2.910
  594   1HG   LYS  82          2HG       LYS  82 -10.546   3.359   1.211
  595   2HG   LYS  82          1HG       LYS  82 -12.159   2.651   1.114
  596   1HD   LYS  82          2HD       LYS  82 -12.998   5.079   0.824
  597   2HD   LYS  82          1HD       LYS  82 -11.314   5.480   0.484
  598   1HE   LYS  82          2HE       LYS  82 -12.278   5.029  -1.644
  599   2HE   LYS  82          1HE       LYS  82 -11.374   3.571  -1.233
  600   1HZ   LYS  82          2HZ       LYS  82 -14.255   3.905  -0.626
  601   2HZ   LYS  82          1HZ       LYS  82 -13.693   3.211  -2.071
  602   3HZ   LYS  82          3HZ       LYS  82 -13.339   2.474  -0.585
  603    H    SER  83           HN       SER  83  -9.989   3.715   5.558
  604    HA   SER  83           HA       SER  83 -11.784   5.288   7.260
  605   1HB   SER  83          2HB       SER  83 -10.422   3.986   9.080
  606   2HB   SER  83          1HB       SER  83 -11.545   3.100   8.053
  607    HG   SER  83           HG       SER  83  -9.042   2.583   8.361
  608    H    GLU  84           HN       GLU  84  -8.253   4.711   7.490
  609    HA   GLU  84           HA       GLU  84  -7.790   7.078   9.052
  610   1HB   GLU  84          2HB       GLU  84  -6.061   5.116   7.583
  611   2HB   GLU  84          1HB       GLU  84  -5.345   6.627   8.147
  612   1HG   GLU  84          2HG       GLU  84  -5.821   6.147  10.410
  613   2HG   GLU  84          1HG       GLU  84  -6.999   4.903   9.989
  614    H    GLY  85           HN       GLY  85  -7.857   6.439   5.605
  615   1HA   GLY  85          2HA       GLY  85  -8.102   8.053   3.875
  616   2HA   GLY  85          1HA       GLY  85  -7.810   9.328   5.061
  617    H    LEU  86           HN       LEU  86  -5.939   6.494   3.925
  618    HA   LEU  86           HA       LEU  86  -3.478   8.114   3.981
  619   1HB   LEU  86          2HB       LEU  86  -3.993   5.200   3.332
  620   2HB   LEU  86          1HB       LEU  86  -2.394   5.944   3.329
  621    HG   LEU  86           HG       LEU  86  -4.270   5.912   5.712
  622   1HD1  LEU  86          2HD1      LEU  86  -3.136   3.702   4.835
  623   2HD1  LEU  86          1HD1      LEU  86  -1.682   4.403   5.545
  624   3HD1  LEU  86          3HD1      LEU  86  -3.094   4.088   6.555
  625   1HD2  LEU  86          3HD2      LEU  86  -1.536   7.031   5.159
  626   2HD2  LEU  86          2HD2      LEU  86  -2.871   7.749   6.060
  627   3HD2  LEU  86          1HD2      LEU  86  -1.913   6.457   6.784
  628    H    GLY  87           HN       GLY  87  -5.706   6.741   1.634
  629   1HA   GLY  87          2HA       GLY  87  -4.993   8.492  -0.461
  630   2HA   GLY  87          1HA       GLY  87  -4.045   7.021  -0.689
  631    H    GLU  88           HN       GLU  88  -6.330   8.151  -2.281
  632    HA   GLU  88           HA       GLU  88  -7.914   5.641  -2.380
  633   1HB   GLU  88          2HB       GLU  88 -10.007   7.064  -2.708
  634   2HB   GLU  88          1HB       GLU  88  -9.365   7.024  -1.068
  635   1HG   GLU  88          2HG       GLU  88  -8.256   9.164  -2.787
  636   2HG   GLU  88          1HG       GLU  88  -9.971   9.325  -2.410
   
  No H/Q in entry =         636
  Start of MODEL    7
    1   1H    ALA   2          2HT       ALA   2  -6.493  -8.939 -10.374
    2   2H    ALA   2          1HT       ALA   2  -5.670 -10.407 -10.142
    3   3H    ALA   2          3HT       ALA   2  -7.357 -10.349  -9.982
    4    HA   ALA   2           HA       ALA   2  -7.281  -9.225  -7.973
    5   1HB   ALA   2          2HB       ALA   2  -6.446 -11.593  -7.861
    6   2HB   ALA   2          1HB       ALA   2  -4.800 -10.969  -7.967
    7   3HB   ALA   2          3HB       ALA   2  -5.810 -10.564  -6.578
    8    H    GLN   3           HN       GLN   3  -6.726  -7.005  -8.598
    9    HA   GLN   3           HA       GLN   3  -4.386  -6.021  -7.254
   10   1HB   GLN   3          2HB       GLN   3  -3.252  -5.068  -9.292
   11   2HB   GLN   3          1HB       GLN   3  -3.151  -6.823  -9.173
   12   1HG   GLN   3          2HG       GLN   3  -4.674  -7.165 -10.902
   13   2HG   GLN   3          1HG       GLN   3  -5.439  -5.593 -10.673
   14   1HE2  GLN   3          2HE2      GLN   3  -2.135  -5.908 -13.056
   15   2HE2  GLN   3          1HE2      GLN   3  -2.636  -7.226 -12.112
   16    H    LYS   4           HN       LYS   4  -4.339  -3.680  -7.243
   17    HA   LYS   4           HA       LYS   4  -6.466  -2.247  -8.700
   18   1HB   LYS   4          2HB       LYS   4  -6.562  -2.872  -5.790
   19   2HB   LYS   4          1HB       LYS   4  -7.021  -1.239  -6.270
   20   1HG   LYS   4          2HG       LYS   4  -8.398  -2.599  -8.125
   21   2HG   LYS   4          1HG       LYS   4  -8.358  -3.836  -6.866
   22   1HD   LYS   4          2HD       LYS   4 -10.266  -2.674  -6.241
   23   2HD   LYS   4          1HD       LYS   4  -9.045  -1.807  -5.308
   24   1HE   LYS   4          2HE       LYS   4  -9.820   0.064  -6.318
   25   2HE   LYS   4          1HE       LYS   4  -8.990  -0.511  -7.764
   26   1HZ   LYS   4          1HZ       LYS   4 -11.774  -1.237  -7.036
   27   2HZ   LYS   4          3HZ       LYS   4 -11.365   0.004  -8.117
   28   3HZ   LYS   4          2HZ       LYS   4 -10.968  -1.606  -8.486
   29    H    THR   5           HN       THR   5  -5.919  -0.097  -9.009
   30    HA   THR   5           HA       THR   5  -3.233   0.719  -8.079
   31    HB   THR   5           HB       THR   5  -5.142   2.229  -9.888
   32    HG1  THR   5           HG1      THR   5  -4.668   0.800 -11.325
   33   1HG2  THR   5          1HG2      THR   5  -3.120   3.369  -8.773
   34   2HG2  THR   5          3HG2      THR   5  -2.127   2.339  -9.802
   35   3HG2  THR   5          2HG2      THR   5  -3.243   3.496 -10.527
   36    H    PHE   6           HN       PHE   6  -2.878   2.489  -6.714
   37    HA   PHE   6           HA       PHE   6  -5.321   3.752  -5.537
   38   1HB   PHE   6          2HB       PHE   6  -2.800   2.824  -4.131
   39   2HB   PHE   6          1HB       PHE   6  -4.047   3.815  -3.371
   40    HD1  PHE   6          1HD       PHE   6  -3.647   0.621  -5.299
   41    HD2  PHE   6          2HD       PHE   6  -5.845   2.778  -2.306
   42    HE1  PHE   6          1HE       PHE   6  -4.979  -1.415  -4.811
   43    HE2  PHE   6          2HE       PHE   6  -7.175   0.742  -1.818
   44    HZ   PHE   6           HZ       PHE   6  -6.743  -1.354  -3.069
   45    H    LYS   7           HN       LYS   7  -4.703   5.851  -4.360
   46    HA   LYS   7           HA       LYS   7  -2.517   7.258  -5.843
   47   1HB   LYS   7          2HB       LYS   7  -5.047   7.776  -6.418
   48   2HB   LYS   7          1HB       LYS   7  -4.969   8.727  -4.935
   49   1HG   LYS   7          2HG       LYS   7  -4.367  10.223  -6.700
   50   2HG   LYS   7          1HG       LYS   7  -2.858   9.799  -5.890
   51   1HD   LYS   7          2HD       LYS   7  -2.179   9.374  -8.037
   52   2HD   LYS   7          1HD       LYS   7  -2.943   7.816  -7.719
   53   1HE   LYS   7          2HE       LYS   7  -5.117   9.140  -8.534
   54   2HE   LYS   7          1HE       LYS   7  -3.907  10.094  -9.392
   55   1HZ   LYS   7          2HZ       LYS   7  -3.028   8.055 -10.346
   56   2HZ   LYS   7          1HZ       LYS   7  -4.204   7.142  -9.528
   57   3HZ   LYS   7          3HZ       LYS   7  -4.671   8.242 -10.733
   58    H    VAL   8           HN       VAL   8  -1.152   8.459  -4.563
   59    HA   VAL   8           HA       VAL   8  -1.451   8.217  -1.657
   60    HB   VAL   8           HB       VAL   8   0.654   9.800  -3.156
   61   1HG1  VAL   8          2HG1      VAL   8   0.336   9.989  -0.617
   62   2HG1  VAL   8          1HG1      VAL   8   0.859   8.305  -0.536
   63   3HG1  VAL   8          3HG1      VAL   8   1.949   9.538  -1.173
   64   1HG2  VAL   8          2HG2      VAL   8   0.327   6.844  -2.737
   65   2HG2  VAL   8          1HG2      VAL   8   0.963   7.708  -4.136
   66   3HG2  VAL   8          3HG2      VAL   8   1.948   7.536  -2.683
   67    H    THR   9           HN       THR   9  -2.808   9.603  -0.638
   68    HA   THR   9           HA       THR   9  -2.918  12.433  -1.599
   69    HB   THR   9           HB       THR   9  -5.009  10.959   0.024
   70    HG1  THR   9           HG1      THR   9  -6.020  10.572  -1.862
   71   1HG2  THR   9          3HG2      THR   9  -4.739  13.685  -1.172
   72   2HG2  THR   9          2HG2      THR   9  -6.338  12.939  -1.148
   73   3HG2  THR   9          1HG2      THR   9  -5.464  13.201   0.362
   74    H    ALA  10           HN       ALA  10  -1.906  10.439   1.002
   75    HA   ALA  10           HA       ALA  10  -2.415  12.072   3.263
   76   1HB   ALA  10          3HB       ALA  10  -0.293  10.065   2.563
   77   2HB   ALA  10          2HB       ALA  10  -0.137  11.011   4.043
   78   3HB   ALA  10          1HB       ALA  10  -1.544   9.977   3.803
   79    H    ASP  11           HN       ASP  11  -1.340  13.840   4.145
   80    HA   ASP  11           HA       ASP  11   0.079  15.591   2.374
   81   1HB   ASP  11          2HB       ASP  11   0.538  16.913   4.459
   82   2HB   ASP  11          1HB       ASP  11  -1.163  16.498   4.254
   83    H    SER  12           HN       SER  12   1.186  13.449   5.000
   84    HA   SER  12           HA       SER  12   3.980  14.182   4.685
   85   1HB   SER  12          2HB       SER  12   4.427  12.440   6.274
   86   2HB   SER  12          1HB       SER  12   2.920  13.199   6.779
   87    HG   SER  12           HG       SER  12   1.947  11.373   6.441
   88    H    GLY  13           HN       GLY  13   1.860  11.698   3.366
   89   1HA   GLY  13          2HA       GLY  13   2.385  10.812   1.119
   90   2HA   GLY  13          1HA       GLY  13   4.093  10.864   1.563
   91    H    ILE  14           HN       ILE  14   4.618   8.694   1.430
   92    HA   ILE  14           HA       ILE  14   3.089   6.854   3.227
   93    HB   ILE  14           HB       ILE  14   4.529   6.102   0.666
   94   1HG1  ILE  14          2HG1      ILE  14   1.552   6.357   1.201
   95   2HG1  ILE  14          1HG1      ILE  14   2.504   7.527   0.289
   96   1HG2  ILE  14          3HG2      ILE  14   4.186   4.430   2.635
   97   2HG2  ILE  14          2HG2      ILE  14   2.485   4.476   2.169
   98   3HG2  ILE  14          1HG2      ILE  14   3.701   3.927   1.016
   99   1HD1  ILE  14          1HD1      ILE  14   3.147   5.717  -1.300
  100   2HD1  ILE  14          3HD1      ILE  14   2.098   4.606  -0.420
  101   3HD1  ILE  14          2HD1      ILE  14   1.406   5.991  -1.262
  102   1HN   HIP  15           HN       HIP  15   4.651   7.459   4.906
  103    HA   HIP  15           HA       HIP  15   7.381   6.392   4.436
  104   1HB   HIP  15          1HB       HIP  15   7.268   8.758   5.130
  105   2HB   HIP  15          2HB       HIP  15   8.119   7.776   6.302
  106    HD2  HIP  15          2HD       HIP  15   4.348   8.999   5.995
  107    HE2  HIP  15          2HE       HIP  15   3.633   9.635   8.411
  108    HE1  HIP  15          1HE       HIP  15   5.532   9.222  10.029
  109    H    ALA  16           HN       ALA  16   8.026   6.055   7.211
  110    HA   ALA  16           HA       ALA  16   7.358   3.371   7.602
  111   1HB   ALA  16          1HB       ALA  16   9.043   5.070   8.826
  112   2HB   ALA  16          3HB       ALA  16   7.785   4.978  10.058
  113   3HB   ALA  16          2HB       ALA  16   8.594   3.508   9.512
  114    H    ARG  17           HN       ARG  17   5.563   6.211   8.830
  115    HA   ARG  17           HA       ARG  17   3.907   4.790  10.657
  116   1HB   ARG  17          2HB       ARG  17   3.713   7.389   9.232
  117   2HB   ARG  17          1HB       ARG  17   2.223   6.745   9.913
  118   1HG   ARG  17          2HG       ARG  17   4.533   6.538  11.729
  119   2HG   ARG  17          1HG       ARG  17   4.117   8.198  11.309
  120   1HD   ARG  17          2HD       ARG  17   2.634   7.955  13.033
  121   2HD   ARG  17          1HD       ARG  17   1.640   7.219  11.777
  122    HE   ARG  17           HE       ARG  17   3.135   5.103  12.758
  123   1HH1  ARG  17          HH11      ARG  17   0.110   5.810  13.184
  124   2HH1  ARG  17          HH12      ARG  17   0.001   5.591  14.898
  125   1HH2  ARG  17          HH21      ARG  17   3.435   5.560  15.379
  126   2HH2  ARG  17          HH22      ARG  17   1.884   5.450  16.141
  127    HA   PRO  18           HA       PRO  18   0.628   4.150   7.240
  128   1HB   PRO  18          2HB       PRO  18   1.308   4.770   4.644
  129   2HB   PRO  18          1HB       PRO  18   0.470   5.882   5.741
  130   1HG   PRO  18          2HG       PRO  18   3.354   5.854   4.923
  131   2HG   PRO  18          1HG       PRO  18   2.311   7.234   5.315
  132   1HD   PRO  18          2HD       PRO  18   4.195   6.176   7.063
  133   2HD   PRO  18          1HD       PRO  18   2.766   7.098   7.567
  134    H    ALA  19           HN       ALA  19   3.976   3.414   6.888
  135    HA   ALA  19           HA       ALA  19   3.596   1.172   5.040
  136   1HB   ALA  19          3HB       ALA  19   5.746   2.611   5.397
  137   2HB   ALA  19          2HB       ALA  19   6.015   1.566   6.792
  138   3HB   ALA  19          1HB       ALA  19   5.925   0.870   5.175
  139    H    THR  20           HN       THR  20   3.684   1.722   8.501
  140    HA   THR  20           HA       THR  20   3.917  -1.103   9.198
  141    HB   THR  20           HB       THR  20   2.811   0.951  11.082
  142    HG1  THR  20           HG1      THR  20   5.543   0.731  10.365
  143   1HG2  THR  20          2HG2      THR  20   3.418  -1.599  11.472
  144   2HG2  THR  20          1HG2      THR  20   5.050  -0.953  11.641
  145   3HG2  THR  20          3HG2      THR  20   3.765  -0.391  12.710
  146    H    VAL  21           HN       VAL  21   1.343   1.213   8.616
  147    HA   VAL  21           HA       VAL  21  -0.809  -0.326   9.768
  148    HB   VAL  21           HB       VAL  21  -1.042   1.573   7.443
  149   1HG1  VAL  21          2HG1      VAL  21  -2.958   0.076   8.529
  150   2HG1  VAL  21          1HG1      VAL  21  -2.975   1.382   9.714
  151   3HG1  VAL  21          3HG1      VAL  21  -3.277   1.731   8.012
  152   1HG2  VAL  21          1HG2      VAL  21  -0.461   2.103  10.337
  153   2HG2  VAL  21          3HG2      VAL  21   0.111   2.966   8.909
  154   3HG2  VAL  21          2HG2      VAL  21  -1.539   3.208   9.483
  155    H    LEU  22           HN       LEU  22   0.370   0.087   6.461
  156    HA   LEU  22           HA       LEU  22  -1.420  -1.745   5.220
  157   1HB   LEU  22          2HB       LEU  22   1.327  -0.734   4.472
  158   2HB   LEU  22          1HB       LEU  22   0.347  -1.742   3.400
  159    HG   LEU  22           HG       LEU  22  -0.580   0.890   4.596
  160   1HD1  LEU  22          1HD1      LEU  22   0.648   0.176   1.916
  161   2HD1  LEU  22          3HD1      LEU  22  -0.334   1.625   2.143
  162   3HD1  LEU  22          2HD1      LEU  22   1.166   1.426   3.050
  163   1HD2  LEU  22          2HD2      LEU  22  -1.720  -1.061   2.575
  164   2HD2  LEU  22          1HD2      LEU  22  -2.465  -0.488   4.067
  165   3HD2  LEU  22          3HD2      LEU  22  -2.285   0.606   2.695
  166    H    VAL  23           HN       VAL  23   2.023  -2.221   6.133
  167    HA   VAL  23           HA       VAL  23   2.264  -4.918   5.417
  168    HB   VAL  23           HB       VAL  23   4.150  -3.512   6.194
  169   1HG1  VAL  23          3HG1      VAL  23   2.936  -2.429   8.072
  170   2HG1  VAL  23          2HG1      VAL  23   2.976  -3.954   8.955
  171   3HG1  VAL  23          1HG1      VAL  23   4.480  -3.111   8.582
  172   1HG2  VAL  23          3HG2      VAL  23   3.969  -6.160   6.406
  173   2HG2  VAL  23          2HG2      VAL  23   5.371  -5.295   7.038
  174   3HG2  VAL  23          1HG2      VAL  23   4.079  -5.798   8.129
  175    H    GLN  24           HN       GLN  24   0.610  -3.556   8.195
  176    HA   GLN  24           HA       GLN  24   0.427  -5.976   9.742
  177   1HB   GLN  24          2HB       GLN  24  -1.161  -3.411   9.682
  178   2HB   GLN  24          1HB       GLN  24  -1.610  -4.743  10.744
  179   1HG   GLN  24          2HG       GLN  24   1.248  -4.189  10.884
  180   2HG   GLN  24          1HG       GLN  24   0.294  -2.764  11.286
  181   1HE2  GLN  24          2HE2      GLN  24  -0.213  -4.018  14.531
  182   2HE2  GLN  24          1HE2      GLN  24   0.173  -2.694  13.541
  183    H    THR  25           HN       THR  25  -2.003  -4.385   7.632
  184    HA   THR  25           HA       THR  25  -3.945  -6.454   7.791
  185    HB   THR  25           HB       THR  25  -3.545  -4.824   5.294
  186    HG1  THR  25           HG1      THR  25  -4.039  -3.049   6.326
  187   1HG2  THR  25          2HG2      THR  25  -5.826  -6.058   6.805
  188   2HG2  THR  25          1HG2      THR  25  -6.123  -4.677   5.750
  189   3HG2  THR  25          3HG2      THR  25  -5.443  -6.162   5.087
  190    H    ALA  26           HN       ALA  26  -1.527  -5.886   5.207
  191    HA   ALA  26           HA       ALA  26  -2.107  -8.205   3.688
  192   1HB   ALA  26          1HB       ALA  26   0.308  -6.450   3.992
  193   2HB   ALA  26          3HB       ALA  26   0.435  -7.940   3.059
  194   3HB   ALA  26          2HB       ALA  26  -0.721  -6.698   2.581
  195    H    SER  27           HN       SER  27  -0.346  -7.867   6.692
  196    HA   SER  27           HA       SER  27   1.253 -10.220   6.601
  197   1HB   SER  27          2HB       SER  27   0.893  -8.263   8.444
  198   2HB   SER  27          1HB       SER  27  -0.024  -9.559   9.200
  199    HG   SER  27           HG       SER  27   2.698  -9.341   8.669
  200    H    LYS  28           HN       LYS  28  -2.146  -9.753   7.467
  201    HA   LYS  28           HA       LYS  28  -2.576 -12.474   8.349
  202   1HB   LYS  28          2HB       LYS  28  -4.617 -10.486   7.310
  203   2HB   LYS  28          1HB       LYS  28  -4.942 -11.902   8.309
  204   1HG   LYS  28          2HG       LYS  28  -3.118  -9.653   9.193
  205   2HG   LYS  28          1HG       LYS  28  -4.841  -9.689   9.562
  206   1HD   LYS  28          2HD       LYS  28  -3.016 -12.004  10.231
  207   2HD   LYS  28          1HD       LYS  28  -3.268 -10.659  11.344
  208   1HE   LYS  28          2HE       LYS  28  -5.447 -11.249  11.783
  209   2HE   LYS  28          1HE       LYS  28  -5.702 -11.912  10.169
  210   1HZ   LYS  28          1HZ       LYS  28  -4.210 -13.767  10.820
  211   2HZ   LYS  28          3HZ       LYS  28  -4.202 -13.162  12.404
  212   3HZ   LYS  28          2HZ       LYS  28  -5.655 -13.705  11.711
  213    H    TYR  29           HN       TYR  29  -2.646 -10.847   5.238
  214    HA   TYR  29           HA       TYR  29  -3.831 -13.237   3.940
  215   1HB   TYR  29          2HB       TYR  29  -2.960 -10.599   2.711
  216   2HB   TYR  29          1HB       TYR  29  -3.895 -11.867   1.916
  217    HD1  TYR  29          2HD       TYR  29  -6.200 -12.413   2.704
  218    HD2  TYR  29          1HD       TYR  29  -3.994  -9.066   4.252
  219    HE1  TYR  29          2HE       TYR  29  -8.295 -11.459   3.627
  220    HE2  TYR  29          1HE       TYR  29  -6.090  -8.113   5.176
  221    HH   TYR  29           HH       TYR  29  -8.318  -8.910   5.875
  222    H    ASP  30           HN       ASP  30  -2.544 -14.776   3.075
  223    HA   ASP  30           HA       ASP  30   0.367 -14.346   2.991
  224   1HB   ASP  30          2HB       ASP  30  -1.295 -16.790   2.313
  225   2HB   ASP  30          1HB       ASP  30   0.462 -16.751   2.459
  226    H    ALA  31           HN       ALA  31  -1.902 -13.386   0.886
  227    HA   ALA  31           HA       ALA  31  -1.058 -14.563  -1.603
  228   1HB   ALA  31          3HB       ALA  31  -3.233 -13.387  -1.302
  229   2HB   ALA  31          2HB       ALA  31  -2.359 -11.866  -1.117
  230   3HB   ALA  31          1HB       ALA  31  -2.303 -12.734  -2.651
  231    H    ASP  32           HN       ASP  32  -0.230 -12.848  -3.361
  232    HA   ASP  32           HA       ASP  32   2.299 -11.736  -2.246
  233   1HB   ASP  32          2HB       ASP  32   1.521 -12.439  -5.095
  234   2HB   ASP  32          1HB       ASP  32   3.083 -11.779  -4.611
  235    H    VAL  33           HN       VAL  33   0.973  -9.868  -1.463
  236    HA   VAL  33           HA       VAL  33  -0.039  -8.034  -3.547
  237    HB   VAL  33           HB       VAL  33  -0.681  -6.615  -1.595
  238   1HG1  VAL  33          3HG1      VAL  33  -1.578  -9.382  -2.087
  239   2HG1  VAL  33          2HG1      VAL  33  -2.024  -8.756  -0.500
  240   3HG1  VAL  33          1HG1      VAL  33  -2.521  -7.898  -1.960
  241   1HG2  VAL  33          2HG2      VAL  33   1.230  -8.318  -0.272
  242   2HG2  VAL  33          1HG2      VAL  33   0.388  -6.908   0.368
  243   3HG2  VAL  33          3HG2      VAL  33  -0.337  -8.509   0.512
  244    H    ASN  34           HN       ASN  34   1.535  -6.919  -4.605
  245    HA   ASN  34           HA       ASN  34   3.764  -5.768  -2.971
  246   1HB   ASN  34          2HB       ASN  34   3.692  -6.696  -5.850
  247   2HB   ASN  34          1HB       ASN  34   5.004  -5.718  -5.191
  248   1HD2  ASN  34          2HD2      ASN  34   6.556  -8.461  -3.621
  249   2HD2  ASN  34          1HD2      ASN  34   6.649  -6.833  -4.093
  250    H    LEU  35           HN       LEU  35   4.007  -3.581  -3.015
  251    HA   LEU  35           HA       LEU  35   2.026  -1.988  -4.519
  252   1HB   LEU  35          2HB       LEU  35   2.868  -1.675  -2.021
  253   2HB   LEU  35          1HB       LEU  35   4.168  -0.778  -2.802
  254    HG   LEU  35           HG       LEU  35   1.805   0.118  -4.059
  255   1HD1  LEU  35          1HD1      LEU  35   0.886  -1.022  -1.801
  256   2HD1  LEU  35          3HD1      LEU  35   1.342   0.552  -1.149
  257   3HD1  LEU  35          2HD1      LEU  35   0.180   0.448  -2.471
  258   1HD2  LEU  35          2HD2      LEU  35   3.982   1.308  -3.269
  259   2HD2  LEU  35          1HD2      LEU  35   2.477   2.227  -3.247
  260   3HD2  LEU  35          3HD2      LEU  35   3.119   1.548  -1.750
  261    H    GLU  36           HN       GLU  36   2.792  -0.085  -5.784
  262    HA   GLU  36           HA       GLU  36   5.525  -0.491  -6.931
  263   1HB   GLU  36          2HB       GLU  36   3.349  -1.172  -8.327
  264   2HB   GLU  36          1HB       GLU  36   3.333   0.558  -8.670
  265   1HG   GLU  36          2HG       GLU  36   5.273   0.475  -9.893
  266   2HG   GLU  36          1HG       GLU  36   5.958  -0.822  -8.912
  267    H    TYR  37           HN       TYR  37   6.546   1.464  -7.689
  268    HA   TYR  37           HA       TYR  37   5.192   4.035  -7.245
  269   1HB   TYR  37          2HB       TYR  37   6.062   3.340  -4.983
  270   2HB   TYR  37          1HB       TYR  37   7.689   3.369  -5.661
  271    HD1  TYR  37          1HD       TYR  37   4.696   5.616  -6.015
  272    HD2  TYR  37          2HD       TYR  37   8.846   5.264  -4.962
  273    HE1  TYR  37          1HE       TYR  37   4.812   8.066  -5.648
  274    HE2  TYR  37          2HE       TYR  37   8.960   7.714  -4.596
  275    HH   TYR  37           HH       TYR  37   6.234   9.658  -4.313
  276    H    ASN  38           HN       ASN  38   5.660   4.279  -9.504
  277    HA   ASN  38           HA       ASN  38   6.934   5.049 -11.311
  278   1HB   ASN  38          2HB       ASN  38   7.750   6.545  -9.240
  279   2HB   ASN  38          1HB       ASN  38   9.260   5.688  -9.552
  280   1HD2  ASN  38          2HD2      ASN  38   8.332   8.747 -11.917
  281   2HD2  ASN  38          1HD2      ASN  38   7.654   8.480 -10.384
  282    H    GLY  39           HN       GLY  39   7.019   2.335 -10.964
  283   1HA   GLY  39          2HA       GLY  39   8.272   0.604 -11.992
  284   2HA   GLY  39          1HA       GLY  39   9.654   1.689 -12.066
  285    H    LYS  40           HN       LYS  40   8.763   2.048  -8.959
  286    HA   LYS  40           HA       LYS  40  10.730   0.045  -8.041
  287   1HB   LYS  40          2HB       LYS  40   9.268   2.188  -6.467
  288   2HB   LYS  40          1HB       LYS  40  10.662   1.255  -5.922
  289   1HG   LYS  40          2HG       LYS  40  11.077   2.623  -8.503
  290   2HG   LYS  40          1HG       LYS  40  10.805   3.717  -7.147
  291   1HD   LYS  40          2HD       LYS  40  12.531   2.008  -5.977
  292   2HD   LYS  40          1HD       LYS  40  13.067   1.852  -7.651
  293   1HE   LYS  40          2HE       LYS  40  12.654   4.537  -6.322
  294   2HE   LYS  40          1HE       LYS  40  14.202   3.693  -6.294
  295   1HZ   LYS  40          1HZ       LYS  40  14.053   3.590  -8.760
  296   2HZ   LYS  40          3HZ       LYS  40  12.698   4.607  -8.682
  297   3HZ   LYS  40          2HZ       LYS  40  14.208   5.164  -8.139
  298    H    THR  41           HN       THR  41   9.719  -1.948  -7.929
  299    HA   THR  41           HA       THR  41   7.032  -2.129  -6.690
  300    HB   THR  41           HB       THR  41   8.745  -4.341  -7.863
  301    HG1  THR  41           HG1      THR  41   6.610  -2.898  -9.042
  302   1HG2  THR  41          1HG2      THR  41   6.007  -4.143  -6.712
  303   2HG2  THR  41          3HG2      THR  41   6.194  -5.144  -8.152
  304   3HG2  THR  41          2HG2      THR  41   7.136  -5.497  -6.704
  305    H    VAL  42           HN       VAL  42   7.356  -1.864  -4.487
  306    HA   VAL  42           HA       VAL  42   9.368  -3.624  -3.157
  307    HB   VAL  42           HB       VAL  42   8.584  -2.234  -1.073
  308   1HG1  VAL  42          1HG1      VAL  42  10.723  -2.077  -2.774
  309   2HG1  VAL  42          3HG1      VAL  42  10.094  -0.430  -2.845
  310   3HG1  VAL  42          2HG1      VAL  42  10.543  -1.137  -1.292
  311   1HG2  VAL  42          3HG2      VAL  42   6.682  -1.147  -2.301
  312   2HG2  VAL  42          2HG2      VAL  42   7.797   0.010  -1.575
  313   3HG2  VAL  42          1HG2      VAL  42   7.865  -0.311  -3.307
  314    H    ASN  43           HN       ASN  43   8.706  -5.054  -1.496
  315    HA   ASN  43           HA       ASN  43   6.097  -6.231  -1.841
  316   1HB   ASN  43          2HB       ASN  43   8.312  -7.293  -0.943
  317   2HB   ASN  43          1HB       ASN  43   7.793  -6.647   0.614
  318   1HD2  ASN  43          2HD2      ASN  43   6.354 -10.138  -0.130
  319   2HD2  ASN  43          1HD2      ASN  43   7.918  -9.530  -0.387
  320    H    LEU  44           HN       LEU  44   4.235  -5.975  -0.587
  321    HA   LEU  44           HA       LEU  44   3.775  -3.512   0.742
  322   1HB   LEU  44          2HB       LEU  44   2.096  -5.300  -0.175
  323   2HB   LEU  44          1HB       LEU  44   2.238  -6.018   1.424
  324    HG   LEU  44           HG       LEU  44   0.294  -4.463   1.219
  325   1HD1  LEU  44          3HD1      LEU  44   1.976  -4.787   3.317
  326   2HD1  LEU  44          2HD1      LEU  44   2.058  -3.036   3.116
  327   3HD1  LEU  44          1HD1      LEU  44   0.503  -3.823   3.383
  328   1HD2  LEU  44          1HD2      LEU  44   1.560  -2.861  -0.342
  329   2HD2  LEU  44          3HD2      LEU  44   0.574  -2.114   0.917
  330   3HD2  LEU  44          2HD2      LEU  44   2.322  -2.219   1.114
  331    H    LYS  45           HN       LYS  45   5.052  -6.555   1.915
  332    HA   LYS  45           HA       LYS  45   4.932  -5.659   4.731
  333   1HB   LYS  45          2HB       LYS  45   6.228  -8.160   3.607
  334   2HB   LYS  45          1HB       LYS  45   5.781  -7.853   5.284
  335   1HG   LYS  45          2HG       LYS  45   3.759  -8.754   4.882
  336   2HG   LYS  45          1HG       LYS  45   3.427  -7.450   3.745
  337   1HD   LYS  45          2HD       LYS  45   4.471  -8.735   1.932
  338   2HD   LYS  45          1HD       LYS  45   4.870 -10.030   3.062
  339   1HE   LYS  45          2HE       LYS  45   2.025  -9.096   2.725
  340   2HE   LYS  45          1HE       LYS  45   2.722 -10.291   1.633
  341   1HZ   LYS  45          3HZ       LYS  45   2.655 -10.524   4.592
  342   2HZ   LYS  45          2HZ       LYS  45   1.585 -11.307   3.530
  343   3HZ   LYS  45          1HZ       LYS  45   3.240 -11.690   3.507
  344    H    SER  46           HN       SER  46   6.348  -3.788   3.648
  345    HA   SER  46           HA       SER  46   9.135  -4.339   4.471
  346   1HB   SER  46          2HB       SER  46   8.677  -4.576   1.848
  347   2HB   SER  46          1HB       SER  46   8.783  -2.818   1.909
  348    HG   SER  46           HG       SER  46  10.830  -2.969   2.673
  349    H    ILE  47           HN       ILE  47   8.415  -2.976   6.236
  350    HA   ILE  47           HA       ILE  47   7.366  -0.336   5.851
  351    HB   ILE  47           HB       ILE  47   8.972  -1.344   8.213
  352   1HG1  ILE  47          2HG1      ILE  47   5.997  -1.541   7.601
  353   2HG1  ILE  47          1HG1      ILE  47   7.124  -2.890   7.690
  354   1HG2  ILE  47          3HG2      ILE  47   8.221   1.189   7.738
  355   2HG2  ILE  47          2HG2      ILE  47   6.701   0.590   8.399
  356   3HG2  ILE  47          1HG2      ILE  47   8.177   0.498   9.359
  357   1HD1  ILE  47          1HD1      ILE  47   7.621  -2.148  10.082
  358   2HD1  ILE  47          3HD1      ILE  47   6.214  -1.096   9.942
  359   3HD1  ILE  47          2HD1      ILE  47   6.025  -2.845   9.805
  360    H    MET  48           HN       MET  48  10.674  -1.571   6.259
  361    HA   MET  48           HA       MET  48  11.867   1.090   6.196
  362   1HB   MET  48          2HB       MET  48  12.904  -0.915   7.321
  363   2HB   MET  48          1HB       MET  48  13.222  -1.579   5.717
  364   1HG   MET  48          2HG       MET  48  14.864  -0.039   5.249
  365   2HG   MET  48          1HG       MET  48  14.097   1.227   6.207
  366   1HE   MET  48          2HE       MET  48  14.524   1.959   8.007
  367   2HE   MET  48          1HE       MET  48  15.270   1.269   9.446
  368   3HE   MET  48          3HE       MET  48  16.278   1.969   8.172
  369    H    GLY  49           HN       GLY  49  11.026  -1.355   3.830
  370   1HA   GLY  49          2HA       GLY  49  12.692  -0.311   1.699
  371   2HA   GLY  49          1HA       GLY  49  11.350  -1.438   1.501
  372    H    VAL  50           HN       VAL  50   9.464   0.392   2.894
  373    HA   VAL  50           HA       VAL  50   8.619   1.902   0.564
  374    HB   VAL  50           HB       VAL  50   7.584   2.049   3.414
  375   1HG1  VAL  50          2HG1      VAL  50   6.561   2.994   0.737
  376   2HG1  VAL  50          1HG1      VAL  50   5.452   2.660   2.067
  377   3HG1  VAL  50          3HG1      VAL  50   6.696   3.898   2.244
  378   1HG2  VAL  50          2HG2      VAL  50   7.631  -0.195   1.834
  379   2HG2  VAL  50          1HG2      VAL  50   6.398   0.134   3.052
  380   3HG2  VAL  50          3HG2      VAL  50   6.094   0.526   1.360
  381    H    VAL  51           HN       VAL  51  10.346   2.656   3.539
  382    HA   VAL  51           HA       VAL  51  10.161   5.551   3.129
  383    HB   VAL  51           HB       VAL  51  12.010   4.010   4.973
  384   1HG1  VAL  51          1HG1      VAL  51  11.187   6.887   4.668
  385   2HG1  VAL  51          3HG1      VAL  51  11.644   6.271   6.256
  386   3HG1  VAL  51          2HG1      VAL  51  12.797   6.214   4.923
  387   1HG2  VAL  51          3HG2      VAL  51   9.146   4.921   5.258
  388   2HG2  VAL  51          2HG2      VAL  51   9.838   3.342   5.625
  389   3HG2  VAL  51          1HG2      VAL  51  10.181   4.718   6.671
  390    H    SER  52           HN       SER  52  12.380   2.960   2.314
  391    HA   SER  52           HA       SER  52  14.692   4.545   1.739
  392   1HB   SER  52          2HB       SER  52  15.458   2.627   0.450
  393   2HB   SER  52          1HB       SER  52  14.673   2.048   1.916
  394    HG   SER  52           HG       SER  52  13.735   0.877   0.356
  395    H    LEU  53           HN       LEU  53  11.777   3.831  -0.101
  396    HA   LEU  53           HA       LEU  53  12.702   4.723  -2.661
  397   1HB   LEU  53          2HB       LEU  53   9.917   4.698  -1.459
  398   2HB   LEU  53          1HB       LEU  53  10.262   5.029  -3.157
  399    HG   LEU  53           HG       LEU  53  11.325   2.530  -1.861
  400   1HD1  LEU  53          2HD1      LEU  53   8.510   3.177  -2.583
  401   2HD1  LEU  53          1HD1      LEU  53   9.119   1.608  -3.113
  402   3HD1  LEU  53          3HD1      LEU  53   9.133   2.026  -1.400
  403   1HD2  LEU  53          1HD2      LEU  53  12.026   3.377  -4.166
  404   2HD2  LEU  53          3HD2      LEU  53  11.390   1.733  -4.121
  405   3HD2  LEU  53          2HD2      LEU  53  10.372   3.057  -4.688
  406    H    GLY  54           HN       GLY  54  10.323   6.478  -0.653
  407   1HA   GLY  54          2HA       GLY  54  10.972   8.777   0.170
  408   2HA   GLY  54          1HA       GLY  54  11.732   9.011  -1.406
  409    H    ILE  55           HN       ILE  55   8.561   7.647  -0.483
  410    HA   ILE  55           HA       ILE  55   7.245   9.053  -2.667
  411    HB   ILE  55           HB       ILE  55   6.014   7.578  -0.317
  412   1HG1  ILE  55          2HG1      ILE  55   6.292   6.399  -3.055
  413   2HG1  ILE  55          1HG1      ILE  55   7.714   6.411  -2.012
  414   1HG2  ILE  55          3HG2      ILE  55   4.969   8.519  -2.995
  415   2HG2  ILE  55          2HG2      ILE  55   4.156   7.270  -2.052
  416   3HG2  ILE  55          1HG2      ILE  55   4.336   8.895  -1.392
  417   1HD1  ILE  55          3HD1      ILE  55   6.194   5.407  -0.200
  418   2HD1  ILE  55          2HD1      ILE  55   5.040   5.105  -1.499
  419   3HD1  ILE  55          1HD1      ILE  55   6.632   4.348  -1.541
  420    H    ALA  56           HN       ALA  56   5.396  10.544  -2.281
  421    HA   ALA  56           HA       ALA  56   5.409  11.990   0.295
  422   1HB   ALA  56          1HB       ALA  56   7.090  12.899  -1.650
  423   2HB   ALA  56          3HB       ALA  56   5.616  13.779  -2.057
  424   3HB   ALA  56          2HB       ALA  56   6.326  13.944  -0.451
  425    H    LYS  57           HN       LYS  57   3.785  14.029  -0.138
  426    HA   LYS  57           HA       LYS  57   1.229  12.842  -0.682
  427   1HB   LYS  57          2HB       LYS  57   0.373  15.182  -0.514
  428   2HB   LYS  57          1HB       LYS  57   1.426  14.747   0.831
  429   1HG   LYS  57          2HG       LYS  57   3.270  15.959  -0.099
  430   2HG   LYS  57          1HG       LYS  57   2.442  16.159  -1.644
  431   1HD   LYS  57          2HD       LYS  57   1.101  17.214   0.810
  432   2HD   LYS  57          1HD       LYS  57   2.471  18.116   0.163
  433   1HE   LYS  57          2HE       LYS  57   1.009  19.059  -1.279
  434   2HE   LYS  57          1HE       LYS  57   0.955  17.499  -2.099
  435   1HZ   LYS  57          3HZ       LYS  57  -0.853  16.844  -0.610
  436   2HZ   LYS  57          2HZ       LYS  57  -0.820  18.382   0.114
  437   3HZ   LYS  57          1HZ       LYS  57  -1.257  18.218  -1.520
  438    H    GLY  58           HN       GLY  58  -0.164  13.146  -2.480
  439   1HA   GLY  58          2HA       GLY  58  -0.719  13.492  -4.736
  440   2HA   GLY  58          1HA       GLY  58   0.513  14.754  -4.769
  441    H    ALA  59           HN       ALA  59   0.221  11.191  -4.730
  442    HA   ALA  59           HA       ALA  59   2.361  11.073  -6.787
  443   1HB   ALA  59          3HB       ALA  59   2.527  10.051  -4.010
  444   2HB   ALA  59          2HB       ALA  59   3.052   8.928  -5.263
  445   3HB   ALA  59          1HB       ALA  59   3.819  10.509  -5.119
  446    H    GLU  60           HN       GLU  60   2.592   8.460  -7.231
  447    HA   GLU  60           HA       GLU  60  -0.184   7.369  -7.425
  448   1HB   GLU  60          2HB       GLU  60   1.887   7.672  -9.601
  449   2HB   GLU  60          1HB       GLU  60   0.607   6.463  -9.715
  450   1HG   GLU  60          2HG       GLU  60  -1.093   8.083  -9.778
  451   2HG   GLU  60          1HG       GLU  60  -0.060   9.331  -9.080
  452    H    ILE  61           HN       ILE  61  -0.304   5.078  -7.346
  453    HA   ILE  61           HA       ILE  61   2.202   3.537  -7.068
  454    HB   ILE  61           HB       ILE  61   1.388   2.554  -4.889
  455   1HG1  ILE  61          2HG1      ILE  61  -0.475   4.954  -4.968
  456   2HG1  ILE  61          1HG1      ILE  61  -0.983   3.275  -5.141
  457   1HG2  ILE  61          2HG2      ILE  61   3.120   4.410  -5.130
  458   2HG2  ILE  61          1HG2      ILE  61   1.829   5.545  -4.736
  459   3HG2  ILE  61          3HG2      ILE  61   2.315   4.321  -3.563
  460   1HD1  ILE  61          1HD1      ILE  61   0.319   2.973  -2.858
  461   2HD1  ILE  61          3HD1      ILE  61   0.031   4.707  -2.708
  462   3HD1  ILE  61          2HD1      ILE  61  -1.331   3.596  -2.864
  463    H    THR  62           HN       THR  62   1.840   1.240  -7.270
  464    HA   THR  62           HA       THR  62  -0.915   0.503  -8.174
  465    HB   THR  62           HB       THR  62   1.581  -0.675  -9.392
  466    HG1  THR  62           HG1      THR  62   1.586   0.918 -10.872
  467   1HG2  THR  62          1HG2      THR  62  -0.699  -1.740  -9.662
  468   2HG2  THR  62          3HG2      THR  62  -1.200  -0.281 -10.518
  469   3HG2  THR  62          2HG2      THR  62   0.090  -1.290 -11.175
  470    H    ILE  63           HN       ILE  63  -1.711  -1.226  -7.091
  471    HA   ILE  63           HA       ILE  63   0.219  -2.956  -5.598
  472    HB   ILE  63           HB       ILE  63  -2.711  -2.403  -5.023
  473   1HG1  ILE  63          2HG1      ILE  63  -0.223  -1.494  -3.546
  474   2HG1  ILE  63          1HG1      ILE  63  -1.154  -0.473  -4.642
  475   1HG2  ILE  63          3HG2      ILE  63  -0.615  -4.141  -3.735
  476   2HG2  ILE  63          2HG2      ILE  63  -1.924  -3.463  -2.768
  477   3HG2  ILE  63          1HG2      ILE  63  -2.290  -4.532  -4.123
  478   1HD1  ILE  63          2HD1      ILE  63  -3.154  -1.359  -3.060
  479   2HD1  ILE  63          1HD1      ILE  63  -1.824  -1.415  -1.903
  480   3HD1  ILE  63          3HD1      ILE  63  -2.234   0.102  -2.704
  481    H    SER  64           HN       SER  64  -0.102  -5.236  -5.685
  482    HA   SER  64           HA       SER  64  -2.248  -6.294  -7.413
  483   1HB   SER  64          2HB       SER  64  -0.433  -7.633  -8.685
  484   2HB   SER  64          1HB       SER  64  -0.676  -5.947  -9.134
  485    HG   SER  64           HG       SER  64   1.126  -5.391  -7.996
  486    H    ALA  65           HN       ALA  65  -3.065  -7.847  -6.103
  487    HA   ALA  65           HA       ALA  65  -1.261  -9.383  -4.315
  488   1HB   ALA  65          3HB       ALA  65  -3.539  -8.398  -3.604
  489   2HB   ALA  65          2HB       ALA  65  -4.258  -9.696  -4.556
  490   3HB   ALA  65          1HB       ALA  65  -3.228 -10.081  -3.178
  491    H    SER  66           HN       SER  66  -0.721 -11.510  -4.738
  492    HA   SER  66           HA       SER  66  -2.282 -13.036  -6.742
  493   1HB   SER  66          2HB       SER  66   0.209 -11.762  -7.344
  494   2HB   SER  66          1HB       SER  66   0.476 -13.502  -7.335
  495    HG   SER  66           HG       SER  66  -0.793 -13.705  -9.019
  496    H    GLY  67           HN       GLY  67  -2.830 -14.687  -5.349
  497   1HA   GLY  67          2HA       GLY  67  -0.971 -16.720  -4.699
  498   2HA   GLY  67          1HA       GLY  67  -1.159 -15.710  -3.265
  499    H    ALA  68           HN       ALA  68  -2.528 -16.735  -1.894
  500    HA   ALA  68           HA       ALA  68  -4.725 -18.401  -2.942
  501   1HB   ALA  68          3HB       ALA  68  -3.583 -17.875  -0.199
  502   2HB   ALA  68          2HB       ALA  68  -5.123 -18.712  -0.397
  503   3HB   ALA  68          1HB       ALA  68  -3.651 -19.397  -1.087
  504    H    ASP  69           HN       ASP  69  -4.497 -15.753  -0.534
  505    HA   ASP  69           HA       ASP  69  -7.320 -15.049  -1.193
  506   1HB   ASP  69          2HB       ASP  69  -7.186 -13.716   0.953
  507   2HB   ASP  69          1HB       ASP  69  -7.006 -15.456   1.164
  508    H    GLU  70           HN       GLU  70  -5.674 -14.248  -3.157
  509    HA   GLU  70           HA       GLU  70  -4.395 -11.708  -2.789
  510   1HB   GLU  70          2HB       GLU  70  -4.468 -11.551  -5.258
  511   2HB   GLU  70          1HB       GLU  70  -3.910 -13.136  -4.728
  512   1HG   GLU  70          2HG       GLU  70  -6.427 -13.814  -4.908
  513   2HG   GLU  70          1HG       GLU  70  -6.572 -12.373  -5.910
  514    H    ASN  71           HN       ASN  71  -7.693 -12.604  -3.744
  515    HA   ASN  71           HA       ASN  71  -8.548  -9.918  -4.352
  516   1HB   ASN  71          2HB       ASN  71  -9.907 -12.540  -3.862
  517   2HB   ASN  71          1HB       ASN  71 -10.878 -11.067  -3.822
  518   1HD2  ASN  71          2HD2      ASN  71  -9.672 -12.538  -7.377
  519   2HD2  ASN  71          1HD2      ASN  71  -9.424 -13.374  -5.921
  520    H    ASP  72           HN       ASP  72  -8.634 -11.898  -1.405
  521    HA   ASP  72           HA       ASP  72 -10.155  -9.925   0.103
  522   1HB   ASP  72          2HB       ASP  72  -8.460 -12.209   1.147
  523   2HB   ASP  72          1HB       ASP  72  -9.729 -11.352   2.022
  524    H    ALA  73           HN       ALA  73  -6.802 -10.319  -0.700
  525    HA   ALA  73           HA       ALA  73  -5.824  -8.779   1.590
  526   1HB   ALA  73          1HB       ALA  73  -4.484 -10.549   0.348
  527   2HB   ALA  73          3HB       ALA  73  -4.336  -9.386  -0.971
  528   3HB   ALA  73          2HB       ALA  73  -3.657  -9.013   0.615
  529    H    LEU  74           HN       LEU  74  -6.338  -8.169  -1.895
  530    HA   LEU  74           HA       LEU  74  -5.335  -5.489  -1.844
  531   1HB   LEU  74          2HB       LEU  74  -6.469  -5.214  -4.007
  532   2HB   LEU  74          1HB       LEU  74  -5.626  -6.755  -3.933
  533    HG   LEU  74           HG       LEU  74  -7.989  -7.592  -3.031
  534   1HD1  LEU  74          2HD1      LEU  74  -8.611  -4.960  -3.577
  535   2HD1  LEU  74          1HD1      LEU  74  -9.105  -5.768  -5.066
  536   3HD1  LEU  74          3HD1      LEU  74  -9.784  -6.276  -3.519
  537   1HD2  LEU  74          1HD2      LEU  74  -6.995  -7.165  -5.836
  538   2HD2  LEU  74          3HD2      LEU  74  -7.103  -8.664  -4.914
  539   3HD2  LEU  74          2HD2      LEU  74  -8.564  -7.921  -5.565
  540    H    ASN  75           HN       ASN  75  -8.636  -6.770  -1.410
  541    HA   ASN  75           HA       ASN  75  -9.752  -4.091  -1.103
  542   1HB   ASN  75          2HB       ASN  75 -11.831  -5.281  -0.442
  543   2HB   ASN  75          1HB       ASN  75 -11.177  -5.880  -1.964
  544   1HD2  ASN  75          2HD2      ASN  75 -11.948  -8.921  -0.047
  545   2HD2  ASN  75          1HD2      ASN  75 -12.792  -7.696  -0.867
  546    H    ALA  76           HN       ALA  76  -8.197  -6.382   0.993
  547    HA   ALA  76           HA       ALA  76  -9.367  -5.477   3.477
  548   1HB   ALA  76          1HB       ALA  76  -6.722  -6.832   2.859
  549   2HB   ALA  76          3HB       ALA  76  -7.309  -6.523   4.493
  550   3HB   ALA  76          2HB       ALA  76  -8.203  -7.604   3.427
  551    H    LEU  77           HN       LEU  77  -6.192  -4.794   1.947
  552    HA   LEU  77           HA       LEU  77  -5.556  -2.642   3.751
  553   1HB   LEU  77          2HB       LEU  77  -4.494  -3.091   0.953
  554   2HB   LEU  77          1HB       LEU  77  -3.723  -2.167   2.241
  555    HG   LEU  77           HG       LEU  77  -4.345  -4.814   3.221
  556   1HD1  LEU  77          3HD1      LEU  77  -3.995  -4.990   0.538
  557   2HD1  LEU  77          2HD1      LEU  77  -2.318  -5.084   1.075
  558   3HD1  LEU  77          1HD1      LEU  77  -3.500  -6.251   1.667
  559   1HD2  LEU  77          2HD2      LEU  77  -1.781  -3.301   2.654
  560   2HD2  LEU  77          1HD2      LEU  77  -2.630  -3.423   4.195
  561   3HD2  LEU  77          3HD2      LEU  77  -1.838  -4.842   3.509
  562    H    GLU  78           HN       GLU  78  -7.322  -2.831   0.710
  563    HA   GLU  78           HA       GLU  78  -7.238  -0.076  -0.012
  564   1HB   GLU  78          2HB       GLU  78  -8.085  -1.871  -1.498
  565   2HB   GLU  78          1HB       GLU  78  -9.489  -2.060  -0.453
  566   1HG   GLU  78          2HG       GLU  78  -9.073   0.729  -1.244
  567   2HG   GLU  78          1HG       GLU  78  -9.297  -0.332  -2.633
  568    H    GLU  79           HN       GLU  79  -9.800  -1.814   1.816
  569    HA   GLU  79           HA       GLU  79 -11.341   0.495   2.433
  570   1HB   GLU  79          2HB       GLU  79 -12.281  -0.881   4.288
  571   2HB   GLU  79          1HB       GLU  79 -12.229  -1.757   2.759
  572   1HG   GLU  79          2HG       GLU  79 -10.198  -2.913   3.432
  573   2HG   GLU  79          1HG       GLU  79 -10.107  -1.961   4.915
  574    H    THR  80           HN       THR  80  -8.495  -0.878   4.011
  575    HA   THR  80           HA       THR  80  -8.624   0.710   6.405
  576    HB   THR  80           HB       THR  80  -6.156  -0.364   5.002
  577    HG1  THR  80           HG1      THR  80  -7.944  -1.527   6.865
  578   1HG2  THR  80          1HG2      THR  80  -6.022   1.360   6.953
  579   2HG2  THR  80          3HG2      THR  80  -6.535   0.008   7.964
  580   3HG2  THR  80          2HG2      THR  80  -5.034  -0.098   7.043
  581    H    MET  81           HN       MET  81  -7.348   1.269   3.177
  582    HA   MET  81           HA       MET  81  -5.965   3.731   3.799
  583   1HB   MET  81          2HB       MET  81  -7.023   2.649   1.171
  584   2HB   MET  81          1HB       MET  81  -5.938   4.029   1.329
  585   1HG   MET  81          2HG       MET  81  -5.136   1.487   2.673
  586   2HG   MET  81          1HG       MET  81  -5.010   1.552   0.915
  587   1HE   MET  81          2HE       MET  81  -3.644   2.342  -0.306
  588   2HE   MET  81          1HE       MET  81  -2.489   3.661  -0.130
  589   3HE   MET  81          3HE       MET  81  -2.057   2.026   0.391
  590    H    LYS  82           HN       LYS  82  -9.258   2.880   2.965
  591    HA   LYS  82           HA       LYS  82 -10.053   5.633   2.366
  592   1HB   LYS  82          2HB       LYS  82 -11.595   3.052   2.731
  593   2HB   LYS  82          1HB       LYS  82 -12.375   4.597   2.385
  594   1HG   LYS  82          2HG       LYS  82 -11.076   4.816   0.314
  595   2HG   LYS  82          1HG       LYS  82 -10.235   3.306   0.667
  596   1HD   LYS  82          2HD       LYS  82 -11.878   2.385  -0.620
  597   2HD   LYS  82          1HD       LYS  82 -12.826   2.485   0.863
  598   1HE   LYS  82          2HE       LYS  82 -14.280   3.679  -0.417
  599   2HE   LYS  82          1HE       LYS  82 -13.156   5.009  -0.144
  600   1HZ   LYS  82          1HZ       LYS  82 -13.021   3.112  -2.424
  601   2HZ   LYS  82          3HZ       LYS  82 -13.670   4.677  -2.502
  602   3HZ   LYS  82          2HZ       LYS  82 -12.017   4.461  -2.173
  603    H    SER  83           HN       SER  83  -9.899   3.586   5.192
  604    HA   SER  83           HA       SER  83 -11.749   5.266   6.742
  605   1HB   SER  83          2HB       SER  83 -10.762   3.745   8.640
  606   2HB   SER  83          1HB       SER  83 -11.858   3.046   7.452
  607    HG   SER  83           HG       SER  83 -10.170   1.703   7.381
  608    H    GLU  84           HN       GLU  84  -8.276   4.876   6.314
  609    HA   GLU  84           HA       GLU  84  -7.720   6.784   8.511
  610   1HB   GLU  84          2HB       GLU  84  -5.858   5.261   6.662
  611   2HB   GLU  84          1HB       GLU  84  -5.340   6.287   8.000
  612   1HG   GLU  84          2HG       GLU  84  -7.263   3.995   8.408
  613   2HG   GLU  84          1HG       GLU  84  -5.515   3.768   8.483
  614    H    GLY  85           HN       GLY  85  -8.008   6.717   5.046
  615   1HA   GLY  85          2HA       GLY  85  -8.083   8.580   3.584
  616   2HA   GLY  85          1HA       GLY  85  -7.599   9.615   4.929
  617    H    LEU  86           HN       LEU  86  -5.880   6.694   3.978
  618    HA   LEU  86           HA       LEU  86  -3.395   8.222   3.704
  619   1HB   LEU  86          2HB       LEU  86  -4.059   5.282   3.431
  620   2HB   LEU  86          1HB       LEU  86  -2.434   5.931   3.207
  621    HG   LEU  86           HG       LEU  86  -4.078   6.400   5.706
  622   1HD1  LEU  86          1HD1      LEU  86  -2.103   4.234   4.990
  623   2HD1  LEU  86          3HD1      LEU  86  -2.386   4.708   6.665
  624   3HD1  LEU  86          2HD1      LEU  86  -3.709   4.061   5.695
  625   1HD2  LEU  86          3HD2      LEU  86  -1.317   7.060   4.758
  626   2HD2  LEU  86          2HD2      LEU  86  -2.423   8.022   5.738
  627   3HD2  LEU  86          1HD2      LEU  86  -1.535   6.684   6.468
  628    H    GLY  87           HN       GLY  87  -5.085   5.904   1.553
  629   1HA   GLY  87          2HA       GLY  87  -4.451   7.664  -0.752
  630   2HA   GLY  87          1HA       GLY  87  -3.864   6.001  -0.805
  631    H    GLU  88           HN       GLU  88  -5.782   7.168  -2.630
  632    HA   GLU  88           HA       GLU  88  -8.050   5.303  -2.131
  633   1HB   GLU  88          2HB       GLU  88  -9.610   7.062  -3.032
  634   2HB   GLU  88          1HB       GLU  88  -8.908   7.474  -1.467
  635   1HG   GLU  88          2HG       GLU  88  -7.126   8.770  -2.695
  636   2HG   GLU  88          1HG       GLU  88  -8.034   8.493  -4.183
   
  No H/Q in entry =         636
  Start of MODEL    8
    1   1H    ALA   2          2HT       ALA   2  -5.411  -9.795  -9.604
    2   2H    ALA   2          1HT       ALA   2  -6.948 -10.517  -9.691
    3   3H    ALA   2          3HT       ALA   2  -6.730  -8.923 -10.226
    4    HA   ALA   2           HA       ALA   2  -7.768  -8.776  -8.125
    5   1HB   ALA   2          2HB       ALA   2  -5.562 -10.648  -7.210
    6   2HB   ALA   2          1HB       ALA   2  -6.745  -9.890  -6.147
    7   3HB   ALA   2          3HB       ALA   2  -7.273 -11.051  -7.362
    8    H    GLN   3           HN       GLN   3  -6.109  -7.112  -9.574
    9    HA   GLN   3           HA       GLN   3  -4.271  -5.998  -7.490
   10   1HB   GLN   3          2HB       GLN   3  -3.120  -4.873  -9.454
   11   2HB   GLN   3          1HB       GLN   3  -2.951  -6.625  -9.398
   12   1HG   GLN   3          2HG       GLN   3  -4.777  -6.869 -11.027
   13   2HG   GLN   3          1HG       GLN   3  -4.994  -5.119 -11.060
   14   1HE2  GLN   3          2HE2      GLN   3  -1.646  -4.717 -12.626
   15   2HE2  GLN   3          1HE2      GLN   3  -2.422  -4.132 -11.234
   16    H    LYS   4           HN       LYS   4  -4.312  -3.708  -7.201
   17    HA   LYS   4           HA       LYS   4  -6.466  -2.222  -8.610
   18   1HB   LYS   4          2HB       LYS   4  -6.487  -3.050  -5.785
   19   2HB   LYS   4          1HB       LYS   4  -6.755  -1.322  -6.011
   20   1HG   LYS   4          2HG       LYS   4  -8.758  -1.632  -7.084
   21   2HG   LYS   4          1HG       LYS   4  -8.239  -3.141  -7.838
   22   1HD   LYS   4          2HD       LYS   4  -8.366  -4.225  -5.563
   23   2HD   LYS   4          1HD       LYS   4  -9.099  -2.739  -4.961
   24   1HE   LYS   4          2HE       LYS   4 -10.432  -3.603  -7.388
   25   2HE   LYS   4          1HE       LYS   4 -10.423  -4.899  -6.193
   26   1HZ   LYS   4          3HZ       LYS   4 -11.194  -2.123  -5.518
   27   2HZ   LYS   4          2HZ       LYS   4 -12.319  -3.276  -6.056
   28   3HZ   LYS   4          1HZ       LYS   4 -11.461  -3.532  -4.612
   29    H    THR   5           HN       THR   5  -6.013  -0.038  -8.841
   30    HA   THR   5           HA       THR   5  -3.290   0.812  -8.006
   31    HB   THR   5           HB       THR   5  -5.241   2.209  -9.865
   32    HG1  THR   5           HG1      THR   5  -4.661   0.186 -10.683
   33   1HG2  THR   5          3HG2      THR   5  -3.454   3.620  -8.885
   34   2HG2  THR   5          2HG2      THR   5  -2.245   2.487  -9.492
   35   3HG2  THR   5          1HG2      THR   5  -3.240   3.404 -10.623
   36    H    PHE   6           HN       PHE   6  -2.982   2.632  -6.689
   37    HA   PHE   6           HA       PHE   6  -5.462   3.870  -5.561
   38   1HB   PHE   6          2HB       PHE   6  -2.950   3.030  -4.087
   39   2HB   PHE   6          1HB       PHE   6  -4.253   3.981  -3.374
   40    HD1  PHE   6          1HD       PHE   6  -3.660   0.773  -5.224
   41    HD2  PHE   6          2HD       PHE   6  -6.055   2.893  -2.359
   42    HE1  PHE   6          1HE       PHE   6  -4.923  -1.307  -4.740
   43    HE2  PHE   6          2HE       PHE   6  -7.317   0.814  -1.876
   44    HZ   PHE   6           HZ       PHE   6  -6.752  -1.287  -3.065
   45    H    LYS   7           HN       LYS   7  -4.787   5.973  -4.316
   46    HA   LYS   7           HA       LYS   7  -2.592   7.368  -5.785
   47   1HB   LYS   7          2HB       LYS   7  -5.268   7.786  -6.332
   48   2HB   LYS   7          1HB       LYS   7  -4.925   9.057  -5.159
   49   1HG   LYS   7          2HG       LYS   7  -3.066   8.559  -7.481
   50   2HG   LYS   7          1HG       LYS   7  -4.501   9.568  -7.671
   51   1HD   LYS   7          2HD       LYS   7  -3.701  10.886  -5.648
   52   2HD   LYS   7          1HD       LYS   7  -2.180  10.002  -5.780
   53   1HE   LYS   7          2HE       LYS   7  -1.769  11.951  -7.033
   54   2HE   LYS   7          1HE       LYS   7  -2.209  10.769  -8.265
   55   1HZ   LYS   7          3HZ       LYS   7  -4.498  11.601  -8.150
   56   2HZ   LYS   7          2HZ       LYS   7  -4.008  12.789  -7.038
   57   3HZ   LYS   7          1HZ       LYS   7  -3.405  12.806  -8.627
   58    H    VAL   8           HN       VAL   8  -1.232   8.293  -4.367
   59    HA   VAL   8           HA       VAL   8  -2.000   8.537  -1.531
   60    HB   VAL   8           HB       VAL   8   0.651   9.300  -2.781
   61   1HG1  VAL   8          1HG1      VAL   8   0.118   9.994  -0.421
   62   2HG1  VAL   8          3HG1      VAL   8  -0.044   8.286  -0.010
   63   3HG1  VAL   8          2HG1      VAL   8   1.511   8.921  -0.551
   64   1HG2  VAL   8          2HG2      VAL   8  -0.051   6.939  -3.371
   65   2HG2  VAL   8          1HG2      VAL   8   1.421   7.040  -2.404
   66   3HG2  VAL   8          3HG2      VAL   8  -0.106   6.591  -1.643
   67    H    THR   9           HN       THR   9  -2.777  10.418  -0.721
   68    HA   THR   9           HA       THR   9  -1.894  12.980  -1.960
   69    HB   THR   9           HB       THR   9  -4.734  12.742  -1.059
   70    HG1  THR   9           HG1      THR   9  -3.824  11.946  -3.621
   71   1HG2  THR   9          3HG2      THR   9  -3.525  14.863  -1.860
   72   2HG2  THR   9          2HG2      THR   9  -3.563  14.138  -3.467
   73   3HG2  THR   9          1HG2      THR   9  -5.071  14.494  -2.624
   74    H    ALA  10           HN       ALA  10  -1.733  11.264   0.759
   75    HA   ALA  10           HA       ALA  10  -2.761  13.156   2.712
   76   1HB   ALA  10          1HB       ALA  10  -1.033  10.688   2.872
   77   2HB   ALA  10          3HB       ALA  10  -1.324  11.699   4.287
   78   3HB   ALA  10          2HB       ALA  10  -2.676  10.914   3.471
   79    H    ASP  11           HN       ASP  11  -1.515  14.597   3.983
   80    HA   ASP  11           HA       ASP  11   0.687  15.879   2.690
   81   1HB   ASP  11          2HB       ASP  11  -0.929  16.755   4.550
   82   2HB   ASP  11          1HB       ASP  11   0.246  16.051   5.662
   83    H    SER  12           HN       SER  12   0.517  13.293   5.065
   84    HA   SER  12           HA       SER  12   3.387  13.352   5.640
   85   1HB   SER  12          2HB       SER  12   2.929  11.315   6.939
   86   2HB   SER  12          1HB       SER  12   1.740  12.558   7.319
   87    HG   SER  12           HG       SER  12   0.809  10.483   6.907
   88    H    GLY  13           HN       GLY  13   1.218  11.660   3.452
   89   1HA   GLY  13          2HA       GLY  13   1.795  10.490   1.476
   90   2HA   GLY  13          1HA       GLY  13   3.499  10.719   1.877
   91    H    ILE  14           HN       ILE  14   3.902   8.467   1.388
   92    HA   ILE  14           HA       ILE  14   2.723   6.537   3.338
   93    HB   ILE  14           HB       ILE  14   4.218   5.969   0.758
   94   1HG1  ILE  14          2HG1      ILE  14   1.242   5.830   1.344
   95   2HG1  ILE  14          1HG1      ILE  14   2.018   7.129   0.439
   96   1HG2  ILE  14          2HG2      ILE  14   4.275   4.189   2.534
   97   2HG2  ILE  14          1HG2      ILE  14   2.512   4.156   2.494
   98   3HG2  ILE  14          3HG2      ILE  14   3.435   3.690   1.066
   99   1HD1  ILE  14          1HD1      ILE  14   2.458   4.277  -0.394
  100   2HD1  ILE  14          3HD1      ILE  14   0.971   5.102  -0.862
  101   3HD1  ILE  14          2HD1      ILE  14   2.534   5.743  -1.370
  102   1HN   HIP  15           HN       HIP  15   4.221   7.345   4.999
  103    HA   HIP  15           HA       HIP  15   7.046   6.581   4.548
  104   1HB   HIP  15          1HB       HIP  15   6.657   8.887   5.337
  105   2HB   HIP  15          2HB       HIP  15   7.603   7.958   6.477
  106    HD2  HIP  15          2HD       HIP  15   3.695   8.677   6.206
  107    HE2  HIP  15          2HE       HIP  15   2.926   9.183   8.634
  108    HE1  HIP  15          1HE       HIP  15   4.887   9.036  10.225
  109    H    ALA  16           HN       ALA  16   7.635   6.229   7.387
  110    HA   ALA  16           HA       ALA  16   7.199   3.435   7.573
  111   1HB   ALA  16          2HB       ALA  16   8.812   5.227   8.848
  112   2HB   ALA  16          1HB       ALA  16   7.684   4.800  10.136
  113   3HB   ALA  16          3HB       ALA  16   8.617   3.540   9.323
  114    H    ARG  17           HN       ARG  17   5.523   6.036   9.441
  115    HA   ARG  17           HA       ARG  17   3.989   4.381  11.096
  116   1HB   ARG  17          2HB       ARG  17   4.050   7.083  10.615
  117   2HB   ARG  17          1HB       ARG  17   2.437   6.650  10.054
  118   1HG   ARG  17          2HG       ARG  17   2.030   7.014  12.314
  119   2HG   ARG  17          1HG       ARG  17   2.358   5.281  12.311
  120   1HD   ARG  17          2HD       ARG  17   4.754   5.784  12.831
  121   2HD   ARG  17          1HD       ARG  17   4.327   7.490  12.971
  122    HE   ARG  17           HE       ARG  17   3.839   5.464  14.974
  123   1HH1  ARG  17          HH21      ARG  17   1.095   6.460  14.094
  124   2HH1  ARG  17          HH22      ARG  17   0.840   7.762  15.207
  125   1HH2  ARG  17          HH11      ARG  17   4.167   7.950  16.160
  126   2HH2  ARG  17          HH12      ARG  17   2.579   8.606  16.376
  127    HA   PRO  18           HA       PRO  18   0.511   3.972   7.852
  128   1HB   PRO  18          2HB       PRO  18   1.070   4.679   5.248
  129   2HB   PRO  18          1HB       PRO  18   0.308   5.763   6.425
  130   1HG   PRO  18          2HG       PRO  18   3.130   5.740   5.436
  131   2HG   PRO  18          1HG       PRO  18   2.144   7.106   5.986
  132   1HD   PRO  18          2HD       PRO  18   4.124   5.865   7.509
  133   2HD   PRO  18          1HD       PRO  18   2.815   6.857   8.170
  134    H    ALA  19           HN       ALA  19   3.854   3.392   7.000
  135    HA   ALA  19           HA       ALA  19   3.339   1.108   5.275
  136   1HB   ALA  19          3HB       ALA  19   5.789   2.207   6.654
  137   2HB   ALA  19          2HB       ALA  19   5.833   0.666   5.800
  138   3HB   ALA  19          1HB       ALA  19   5.437   2.144   4.926
  139    H    THR  20           HN       THR  20   3.450   1.627   8.706
  140    HA   THR  20           HA       THR  20   3.981  -1.185   9.361
  141    HB   THR  20           HB       THR  20   2.849   0.751  11.343
  142    HG1  THR  20           HG1      THR  20   4.551   1.997  11.293
  143   1HG2  THR  20          3HG2      THR  20   3.500  -1.605  11.910
  144   2HG2  THR  20          2HG2      THR  20   5.163  -1.199  11.487
  145   3HG2  THR  20          1HG2      THR  20   4.375  -0.388  12.840
  146    H    VAL  21           HN       VAL  21   1.253   1.012   9.038
  147    HA   VAL  21           HA       VAL  21  -0.717  -0.783  10.189
  148    HB   VAL  21           HB       VAL  21  -1.178   1.441   8.210
  149   1HG1  VAL  21          1HG1      VAL  21  -2.994  -0.303   8.952
  150   2HG1  VAL  21          3HG1      VAL  21  -3.004   0.623  10.452
  151   3HG1  VAL  21          2HG1      VAL  21  -3.405   1.412   8.927
  152   1HG2  VAL  21          3HG2      VAL  21  -0.851   1.522  11.223
  153   2HG2  VAL  21          2HG2      VAL  21   0.113   2.383  10.024
  154   3HG2  VAL  21          1HG2      VAL  21  -1.570   2.836  10.291
  155    H    LEU  22           HN       LEU  22   0.540  -0.122   6.988
  156    HA   LEU  22           HA       LEU  22  -1.392  -1.777   5.594
  157   1HB   LEU  22          2HB       LEU  22   1.270  -0.589   4.782
  158   2HB   LEU  22          1HB       LEU  22   0.184  -1.428   3.673
  159    HG   LEU  22           HG       LEU  22  -0.622   0.974   5.340
  160   1HD1  LEU  22          2HD1      LEU  22   0.591   0.695   2.610
  161   2HD1  LEU  22          1HD1      LEU  22  -0.645   1.932   2.853
  162   3HD1  LEU  22          3HD1      LEU  22   0.832   1.960   3.818
  163   1HD2  LEU  22          1HD2      LEU  22  -1.932  -0.645   3.139
  164   2HD2  LEU  22          3HD2      LEU  22  -2.548  -0.317   4.760
  165   3HD2  LEU  22          2HD2      LEU  22  -2.478   0.978   3.563
  166    H    VAL  23           HN       VAL  23   2.008  -2.210   6.612
  167    HA   VAL  23           HA       VAL  23   2.338  -4.809   5.463
  168    HB   VAL  23           HB       VAL  23   4.244  -3.450   6.257
  169   1HG1  VAL  23          2HG1      VAL  23   3.020  -2.568   8.284
  170   2HG1  VAL  23          1HG1      VAL  23   3.306  -4.127   9.057
  171   3HG1  VAL  23          3HG1      VAL  23   4.669  -3.104   8.601
  172   1HG2  VAL  23          1HG2      VAL  23   4.010  -6.157   6.410
  173   2HG2  VAL  23          3HG2      VAL  23   5.501  -5.290   6.776
  174   3HG2  VAL  23          2HG2      VAL  23   4.425  -5.785   8.083
  175    H    GLN  24           HN       GLN  24   0.798  -3.719   8.416
  176    HA   GLN  24           HA       GLN  24   0.715  -6.279   9.742
  177   1HB   GLN  24          2HB       GLN  24  -0.814  -3.699  10.034
  178   2HB   GLN  24          1HB       GLN  24  -1.280  -5.128  10.953
  179   1HG   GLN  24          2HG       GLN  24   1.573  -4.820  11.132
  180   2HG   GLN  24          1HG       GLN  24   0.817  -3.279  11.531
  181   1HE2  GLN  24          2HE2      GLN  24   0.979  -5.639  14.541
  182   2HE2  GLN  24          1HE2      GLN  24   2.153  -5.239  13.382
  183    H    THR  25           HN       THR  25  -1.685  -4.509   7.761
  184    HA   THR  25           HA       THR  25  -3.723  -6.504   7.877
  185    HB   THR  25           HB       THR  25  -3.290  -4.774   5.451
  186    HG1  THR  25           HG1      THR  25  -3.358  -3.091   6.674
  187   1HG2  THR  25          1HG2      THR  25  -5.250  -6.490   5.973
  188   2HG2  THR  25          3HG2      THR  25  -5.868  -5.136   6.920
  189   3HG2  THR  25          2HG2      THR  25  -5.581  -4.943   5.191
  190    H    ALA  26           HN       ALA  26  -1.409  -5.847   5.222
  191    HA   ALA  26           HA       ALA  26  -2.033  -8.116   3.654
  192   1HB   ALA  26          3HB       ALA  26  -0.586  -6.141   2.990
  193   2HB   ALA  26          2HB       ALA  26   0.721  -6.891   3.907
  194   3HB   ALA  26          1HB       ALA  26   0.038  -7.719   2.508
  195    H    SER  27           HN       SER  27  -0.194  -7.884   6.610
  196    HA   SER  27           HA       SER  27   1.425 -10.213   6.386
  197   1HB   SER  27          2HB       SER  27   1.602  -8.529   8.221
  198   2HB   SER  27          1HB       SER  27   0.085  -9.131   8.884
  199    HG   SER  27           HG       SER  27   1.066 -11.136   9.176
  200    H    LYS  28           HN       LYS  28  -1.939  -9.816   7.468
  201    HA   LYS  28           HA       LYS  28  -2.358 -12.540   8.254
  202   1HB   LYS  28          2HB       LYS  28  -4.179 -10.287   7.425
  203   2HB   LYS  28          1HB       LYS  28  -4.828 -11.902   7.713
  204   1HG   LYS  28          2HG       LYS  28  -4.222 -11.884   9.979
  205   2HG   LYS  28          1HG       LYS  28  -3.021 -10.614   9.744
  206   1HD   LYS  28          2HD       LYS  28  -4.703  -8.937   9.478
  207   2HD   LYS  28          1HD       LYS  28  -5.979 -10.146   9.326
  208   1HE   LYS  28          2HE       LYS  28  -6.206  -9.431  11.553
  209   2HE   LYS  28          1HE       LYS  28  -5.232 -10.893  11.709
  210   1HZ   LYS  28          1HZ       LYS  28  -4.094  -8.161  11.502
  211   2HZ   LYS  28          3HZ       LYS  28  -4.374  -8.958  12.973
  212   3HZ   LYS  28          2HZ       LYS  28  -3.260  -9.597  11.861
  213    H    TYR  29           HN       TYR  29  -2.504 -10.890   5.146
  214    HA   TYR  29           HA       TYR  29  -3.563 -13.323   3.824
  215   1HB   TYR  29          2HB       TYR  29  -2.778 -10.672   2.565
  216   2HB   TYR  29          1HB       TYR  29  -3.750 -11.950   1.835
  217    HD1  TYR  29          2HD       TYR  29  -5.933 -12.629   3.075
  218    HD2  TYR  29          1HD       TYR  29  -3.829  -8.952   3.781
  219    HE1  TYR  29          2HE       TYR  29  -7.981 -11.648   4.070
  220    HE2  TYR  29          1HE       TYR  29  -5.876  -7.972   4.777
  221    HH   TYR  29           HH       TYR  29  -8.014  -8.987   5.958
  222    H    ASP  30           HN       ASP  30  -2.257 -14.738   2.756
  223    HA   ASP  30           HA       ASP  30   0.651 -14.164   2.709
  224   1HB   ASP  30          2HB       ASP  30  -0.964 -16.686   2.269
  225   2HB   ASP  30          1HB       ASP  30   0.784 -16.609   2.036
  226    H    ALA  31           HN       ALA  31  -1.656 -13.277   0.681
  227    HA   ALA  31           HA       ALA  31  -0.894 -14.455  -1.835
  228   1HB   ALA  31          2HB       ALA  31  -2.518 -12.101  -0.962
  229   2HB   ALA  31          1HB       ALA  31  -1.972 -12.153  -2.639
  230   3HB   ALA  31          3HB       ALA  31  -2.975 -13.455  -1.996
  231    H    ASP  32           HN       ASP  32   0.038 -13.021  -3.631
  232    HA   ASP  32           HA       ASP  32   2.538 -11.804  -2.626
  233   1HB   ASP  32          2HB       ASP  32   1.580 -12.507  -5.418
  234   2HB   ASP  32          1HB       ASP  32   3.141 -11.763  -5.071
  235    H    VAL  33           HN       VAL  33   1.299  -9.938  -1.732
  236    HA   VAL  33           HA       VAL  33   0.142  -8.071  -3.709
  237    HB   VAL  33           HB       VAL  33  -0.307  -6.664  -1.672
  238   1HG1  VAL  33          1HG1      VAL  33  -1.361  -9.355  -2.238
  239   2HG1  VAL  33          3HG1      VAL  33  -1.667  -8.809  -0.588
  240   3HG1  VAL  33          2HG1      VAL  33  -2.224  -7.845  -1.955
  241   1HG2  VAL  33          3HG2      VAL  33   1.681  -8.292  -0.544
  242   2HG2  VAL  33          2HG2      VAL  33   0.666  -7.133   0.315
  243   3HG2  VAL  33          1HG2      VAL  33   0.187  -8.827   0.223
  244    H    ASN  34           HN       ASN  34   2.020  -7.495  -4.900
  245    HA   ASN  34           HA       ASN  34   4.217  -6.152  -3.415
  246   1HB   ASN  34          2HB       ASN  34   3.924  -7.052  -6.292
  247   2HB   ASN  34          1HB       ASN  34   5.302  -6.117  -5.708
  248   1HD2  ASN  34          2HD2      ASN  34   5.457 -10.039  -5.249
  249   2HD2  ASN  34          1HD2      ASN  34   4.524  -9.220  -6.407
  250    H    LEU  35           HN       LEU  35   4.202  -3.978  -3.239
  251    HA   LEU  35           HA       LEU  35   2.299  -2.394  -4.855
  252   1HB   LEU  35          2HB       LEU  35   2.534  -2.012  -2.392
  253   2HB   LEU  35          1HB       LEU  35   4.199  -1.498  -2.663
  254    HG   LEU  35           HG       LEU  35   2.049  -0.191  -4.276
  255   1HD1  LEU  35          1HD1      LEU  35   1.152  -0.177  -1.977
  256   2HD1  LEU  35          3HD1      LEU  35   2.671   0.498  -1.389
  257   3HD1  LEU  35          2HD1      LEU  35   1.647   1.442  -2.472
  258   1HD2  LEU  35          2HD2      LEU  35   4.789   0.408  -3.235
  259   2HD2  LEU  35          1HD2      LEU  35   4.125   0.662  -4.849
  260   3HD2  LEU  35          3HD2      LEU  35   3.702   1.764  -3.539
  261    H    GLU  36           HN       GLU  36   3.073  -1.896  -6.867
  262    HA   GLU  36           HA       GLU  36   5.953  -1.421  -7.290
  263   1HB   GLU  36          2HB       GLU  36   4.608  -2.747  -8.923
  264   2HB   GLU  36          1HB       GLU  36   3.644  -1.309  -9.258
  265   1HG   GLU  36          2HG       GLU  36   5.897  -0.157  -9.793
  266   2HG   GLU  36          1HG       GLU  36   6.560  -1.790  -9.864
  267    H    TYR  37           HN       TYR  37   6.808   0.591  -7.177
  268    HA   TYR  37           HA       TYR  37   4.955   2.923  -7.343
  269   1HB   TYR  37          2HB       TYR  37   6.218   2.728  -5.233
  270   2HB   TYR  37          1HB       TYR  37   7.732   2.710  -6.130
  271    HD1  TYR  37          1HD       TYR  37   4.747   4.852  -6.864
  272    HD2  TYR  37          2HD       TYR  37   8.756   4.696  -5.320
  273    HE1  TYR  37          1HE       TYR  37   4.827   7.329  -6.812
  274    HE2  TYR  37          2HE       TYR  37   8.832   7.172  -5.272
  275    HH   TYR  37           HH       TYR  37   6.169   9.097  -5.446
  276    H    ASN  38           HN       ASN  38   5.114   2.522  -9.757
  277    HA   ASN  38           HA       ASN  38   5.977   3.034 -11.879
  278   1HB   ASN  38          2HB       ASN  38   5.598   5.291 -10.712
  279   2HB   ASN  38          1HB       ASN  38   7.347   5.333 -10.489
  280   1HD2  ASN  38          2HD2      ASN  38   7.754   6.639 -13.726
  281   2HD2  ASN  38          1HD2      ASN  38   8.200   6.675 -12.088
  282    H    GLY  39           HN       GLY  39   7.444   1.198 -12.009
  283   1HA   GLY  39          2HA       GLY  39   9.603   0.599 -12.854
  284   2HA   GLY  39          1HA       GLY  39  10.258   2.060 -12.127
  285    H    LYS  40           HN       LYS  40   9.198   1.669  -9.475
  286    HA   LYS  40           HA       LYS  40  11.113  -0.384  -8.556
  287   1HB   LYS  40          2HB       LYS  40   9.621   1.882  -7.292
  288   2HB   LYS  40          1HB       LYS  40  10.158   0.556  -6.259
  289   1HG   LYS  40          2HG       LYS  40  11.936   2.161  -6.262
  290   2HG   LYS  40          1HG       LYS  40  12.463   0.839  -7.304
  291   1HD   LYS  40          2HD       LYS  40  10.941   2.994  -8.657
  292   2HD   LYS  40          1HD       LYS  40  12.530   3.456  -8.049
  293   1HE   LYS  40          2HE       LYS  40  12.218   0.900  -9.600
  294   2HE   LYS  40          1HE       LYS  40  12.327   2.437 -10.459
  295   1HZ   LYS  40          3HZ       LYS  40  14.291   1.444  -8.464
  296   2HZ   LYS  40          2HZ       LYS  40  14.500   1.406 -10.150
  297   3HZ   LYS  40          1HZ       LYS  40  14.401   2.895  -9.335
  298    H    THR  41           HN       THR  41  10.435  -1.996  -6.936
  299    HA   THR  41           HA       THR  41   7.541  -2.602  -6.832
  300    HB   THR  41           HB       THR  41   9.463  -4.774  -7.661
  301    HG1  THR  41           HG1      THR  41   7.833  -3.232  -9.387
  302   1HG2  THR  41          2HG2      THR  41   7.193  -5.294  -6.685
  303   2HG2  THR  41          1HG2      THR  41   6.477  -4.462  -8.067
  304   3HG2  THR  41          3HG2      THR  41   7.441  -5.917  -8.317
  305    H    VAL  42           HN       VAL  42   7.870  -2.100  -4.570
  306    HA   VAL  42           HA       VAL  42   9.583  -4.034  -3.084
  307    HB   VAL  42           HB       VAL  42   8.760  -2.527  -1.075
  308   1HG1  VAL  42          3HG1      VAL  42  10.973  -2.307  -2.990
  309   2HG1  VAL  42          2HG1      VAL  42  10.669  -0.820  -2.092
  310   3HG1  VAL  42          1HG1      VAL  42  10.996  -2.321  -1.226
  311   1HG2  VAL  42          1HG2      VAL  42   7.173  -1.206  -2.490
  312   2HG2  VAL  42          3HG2      VAL  42   8.378  -0.197  -1.690
  313   3HG2  VAL  42          2HG2      VAL  42   8.549  -0.586  -3.402
  314    H    ASN  43           HN       ASN  43   8.697  -5.393  -1.520
  315    HA   ASN  43           HA       ASN  43   5.912  -6.149  -1.948
  316   1HB   ASN  43          2HB       ASN  43   8.099  -7.547  -1.183
  317   2HB   ASN  43          1HB       ASN  43   7.431  -7.176   0.406
  318   1HD2  ASN  43          2HD2      ASN  43   4.302  -8.968  -0.423
  319   2HD2  ASN  43          1HD2      ASN  43   4.737  -7.449   0.184
  320    H    LEU  44           HN       LEU  44   4.176  -5.655  -0.550
  321    HA   LEU  44           HA       LEU  44   4.347  -3.313   1.040
  322   1HB   LEU  44          2HB       LEU  44   2.235  -4.306   0.098
  323   2HB   LEU  44          1HB       LEU  44   2.287  -5.486   1.413
  324    HG   LEU  44           HG       LEU  44   2.622  -3.302   2.888
  325   1HD1  LEU  44          2HD1      LEU  44   1.328  -2.332   0.356
  326   2HD1  LEU  44          1HD1      LEU  44   1.094  -1.511   1.902
  327   3HD1  LEU  44          3HD1      LEU  44   2.716  -1.658   1.218
  328   1HD2  LEU  44          3HD2      LEU  44   0.180  -4.631   1.835
  329   2HD2  LEU  44          2HD2      LEU  44   0.828  -4.586   3.476
  330   3HD2  LEU  44          1HD2      LEU  44  -0.017  -3.183   2.821
  331    H    LYS  45           HN       LYS  45   5.324  -6.527   1.837
  332    HA   LYS  45           HA       LYS  45   5.082  -6.070   4.736
  333   1HB   LYS  45          2HB       LYS  45   6.215  -8.329   3.063
  334   2HB   LYS  45          1HB       LYS  45   6.348  -8.292   4.821
  335   1HG   LYS  45          2HG       LYS  45   4.380  -9.522   4.498
  336   2HG   LYS  45          1HG       LYS  45   3.766  -7.891   4.760
  337   1HD   LYS  45          2HD       LYS  45   2.866  -7.819   2.694
  338   2HD   LYS  45          1HD       LYS  45   4.394  -8.293   1.955
  339   1HE   LYS  45          2HE       LYS  45   2.878 -10.028   1.378
  340   2HE   LYS  45          1HE       LYS  45   3.829 -10.685   2.711
  341   1HZ   LYS  45          3HZ       LYS  45   1.275  -9.275   3.179
  342   2HZ   LYS  45          2HZ       LYS  45   1.318 -10.936   2.825
  343   3HZ   LYS  45          1HZ       LYS  45   2.099 -10.339   4.211
  344    H    SER  46           HN       SER  46   6.546  -4.015   3.636
  345    HA   SER  46           HA       SER  46   9.214  -4.495   4.809
  346   1HB   SER  46          2HB       SER  46   9.512  -5.098   2.424
  347   2HB   SER  46          1HB       SER  46   8.873  -3.528   1.945
  348    HG   SER  46           HG       SER  46  11.350  -4.225   2.885
  349    H    ILE  47           HN       ILE  47   8.637  -2.952   6.372
  350    HA   ILE  47           HA       ILE  47   7.521  -0.372   5.705
  351    HB   ILE  47           HB       ILE  47   9.037  -1.144   8.207
  352   1HG1  ILE  47          2HG1      ILE  47   6.113  -1.502   7.447
  353   2HG1  ILE  47          1HG1      ILE  47   7.271  -2.780   7.795
  354   1HG2  ILE  47          3HG2      ILE  47   8.566   1.290   7.801
  355   2HG2  ILE  47          2HG2      ILE  47   6.847   0.903   7.731
  356   3HG2  ILE  47          1HG2      ILE  47   7.748   0.653   9.226
  357   1HD1  ILE  47          2HD1      ILE  47   7.538  -1.549  10.099
  358   2HD1  ILE  47          1HD1      ILE  47   5.966  -0.859   9.696
  359   3HD1  ILE  47          3HD1      ILE  47   6.152  -2.608   9.835
  360    H    MET  48           HN       MET  48  10.804  -1.562   6.312
  361    HA   MET  48           HA       MET  48  12.044   1.053   6.162
  362   1HB   MET  48          2HB       MET  48  13.052  -0.980   7.269
  363   2HB   MET  48          1HB       MET  48  13.333  -1.643   5.660
  364   1HG   MET  48          2HG       MET  48  14.276   1.139   6.178
  365   2HG   MET  48          1HG       MET  48  15.184  -0.175   6.923
  366   1HE   MET  48          2HE       MET  48  15.915  -2.016   6.042
  367   2HE   MET  48          1HE       MET  48  15.554  -2.638   4.434
  368   3HE   MET  48          3HE       MET  48  17.101  -1.841   4.751
  369    H    GLY  49           HN       GLY  49  11.132  -1.397   3.821
  370   1HA   GLY  49          2HA       GLY  49  12.750  -0.353   1.650
  371   2HA   GLY  49          1HA       GLY  49  11.414  -1.492   1.486
  372    H    VAL  50           HN       VAL  50   9.562   0.354   2.939
  373    HA   VAL  50           HA       VAL  50   8.648   1.842   0.615
  374    HB   VAL  50           HB       VAL  50   7.681   1.980   3.489
  375   1HG1  VAL  50          3HG1      VAL  50   6.588   2.937   0.844
  376   2HG1  VAL  50          2HG1      VAL  50   5.516   2.597   2.203
  377   3HG1  VAL  50          1HG1      VAL  50   6.762   3.837   2.352
  378   1HG2  VAL  50          2HG2      VAL  50   7.706  -0.265   1.969
  379   2HG2  VAL  50          1HG2      VAL  50   6.419   0.100   3.116
  380   3HG2  VAL  50          3HG2      VAL  50   6.203   0.461   1.404
  381    H    VAL  51           HN       VAL  51  10.572   2.584   3.445
  382    HA   VAL  51           HA       VAL  51  10.271   5.477   3.195
  383    HB   VAL  51           HB       VAL  51  12.372   3.892   4.702
  384   1HG1  VAL  51          3HG1      VAL  51  11.467   6.768   4.701
  385   2HG1  VAL  51          2HG1      VAL  51  12.222   6.060   6.129
  386   3HG1  VAL  51          1HG1      VAL  51  13.108   6.130   4.606
  387   1HG2  VAL  51          1HG2      VAL  51   9.517   4.547   5.257
  388   2HG2  VAL  51          3HG2      VAL  51  10.471   3.159   5.778
  389   3HG2  VAL  51          2HG2      VAL  51  10.649   4.709   6.599
  390    H    SER  52           HN       SER  52  12.415   3.023   1.903
  391    HA   SER  52           HA       SER  52  14.559   4.787   1.127
  392   1HB   SER  52          2HB       SER  52  15.145   2.916  -0.461
  393   2HB   SER  52          1HB       SER  52  14.973   2.408   1.217
  394    HG   SER  52           HG       SER  52  13.359   1.910  -0.999
  395    H    LEU  53           HN       LEU  53  11.537   3.786  -0.411
  396    HA   LEU  53           HA       LEU  53  12.078   4.829  -3.022
  397   1HB   LEU  53          2HB       LEU  53   9.459   4.489  -1.531
  398   2HB   LEU  53          1HB       LEU  53   9.580   4.891  -3.244
  399    HG   LEU  53           HG       LEU  53  11.072   2.507  -2.201
  400   1HD1  LEU  53          3HD1      LEU  53   8.130   2.828  -2.344
  401   2HD1  LEU  53          2HD1      LEU  53   8.767   1.384  -3.132
  402   3HD1  LEU  53          1HD1      LEU  53   9.094   1.673  -1.424
  403   1HD2  LEU  53          3HD2      LEU  53  11.095   3.594  -4.605
  404   2HD2  LEU  53          2HD2      LEU  53  11.045   1.839  -4.439
  405   3HD2  LEU  53          1HD2      LEU  53   9.566   2.734  -4.792
  406    H    GLY  54           HN       GLY  54  10.513   6.298  -0.170
  407   1HA   GLY  54          2HA       GLY  54  10.573   8.589   0.462
  408   2HA   GLY  54          1HA       GLY  54  11.399   8.957  -1.054
  409    H    ILE  55           HN       ILE  55   8.214   7.649  -0.051
  410    HA   ILE  55           HA       ILE  55   6.950   9.012  -2.348
  411    HB   ILE  55           HB       ILE  55   5.546   7.434  -0.177
  412   1HG1  ILE  55          2HG1      ILE  55   6.678   6.337  -2.771
  413   2HG1  ILE  55          1HG1      ILE  55   7.450   6.123  -1.199
  414   1HG2  ILE  55          1HG2      ILE  55   4.367   8.899  -1.987
  415   2HG2  ILE  55          3HG2      ILE  55   4.834   7.609  -3.097
  416   3HG2  ILE  55          2HG2      ILE  55   3.788   7.255  -1.722
  417   1HD1  ILE  55          1HD1      ILE  55   4.579   5.325  -1.704
  418   2HD1  ILE  55          3HD1      ILE  55   5.924   4.217  -1.976
  419   3HD1  ILE  55          2HD1      ILE  55   5.618   4.851  -0.359
  420    H    ALA  56           HN       ALA  56   5.340  10.638  -2.100
  421    HA   ALA  56           HA       ALA  56   4.861  11.728   0.605
  422   1HB   ALA  56          2HB       ALA  56   6.785  12.838  -1.250
  423   2HB   ALA  56          1HB       ALA  56   5.492  14.000  -0.949
  424   3HB   ALA  56          3HB       ALA  56   6.420  13.342   0.400
  425    H    LYS  57           HN       LYS  57   3.636  14.082  -0.053
  426    HA   LYS  57           HA       LYS  57   1.090  13.239  -1.055
  427   1HB   LYS  57          2HB       LYS  57   1.890  15.341   0.415
  428   2HB   LYS  57          1HB       LYS  57   1.791  16.117  -1.162
  429   1HG   LYS  57          2HG       LYS  57  -0.521  15.332  -1.431
  430   2HG   LYS  57          1HG       LYS  57  -0.433  14.518   0.131
  431   1HD   LYS  57          2HD       LYS  57  -0.713  16.450   1.297
  432   2HD   LYS  57          1HD       LYS  57   0.336  17.367   0.215
  433   1HE   LYS  57          2HE       LYS  57  -2.312  16.472  -0.843
  434   2HE   LYS  57          1HE       LYS  57  -2.292  17.814   0.302
  435   1HZ   LYS  57          1HZ       LYS  57  -0.437  18.722  -1.192
  436   2HZ   LYS  57          3HZ       LYS  57  -1.019  17.630  -2.353
  437   3HZ   LYS  57          2HZ       LYS  57  -2.042  18.841  -1.739
  438    H    GLY  58           HN       GLY  58   0.343  13.132  -3.121
  439   1HA   GLY  58          2HA       GLY  58   0.125  13.798  -5.409
  440   2HA   GLY  58          1HA       GLY  58   1.574  14.789  -5.233
  441    H    ALA  59           HN       ALA  59   0.836  11.311  -4.787
  442    HA   ALA  59           HA       ALA  59   2.924  10.667  -6.803
  443   1HB   ALA  59          1HB       ALA  59   2.909   9.774  -3.914
  444   2HB   ALA  59          3HB       ALA  59   3.767   8.874  -5.166
  445   3HB   ALA  59          2HB       ALA  59   4.222  10.541  -4.810
  446    H    GLU  60           HN       GLU  60   2.447   8.794  -7.949
  447    HA   GLU  60           HA       GLU  60  -0.189   7.552  -7.371
  448   1HB   GLU  60          2HB       GLU  60   1.634   7.633  -9.772
  449   2HB   GLU  60          1HB       GLU  60   0.364   6.415  -9.656
  450   1HG   GLU  60          2HG       GLU  60  -1.352   8.016  -9.678
  451   2HG   GLU  60          1HG       GLU  60  -0.271   9.319  -9.180
  452    H    ILE  61           HN       ILE  61  -0.401   5.309  -7.009
  453    HA   ILE  61           HA       ILE  61   2.121   3.737  -6.780
  454    HB   ILE  61           HB       ILE  61   1.266   2.784  -4.627
  455   1HG1  ILE  61          2HG1      ILE  61  -0.715   5.079  -4.801
  456   2HG1  ILE  61          1HG1      ILE  61  -1.130   3.383  -5.041
  457   1HG2  ILE  61          3HG2      ILE  61   2.910   4.689  -4.749
  458   2HG2  ILE  61          2HG2      ILE  61   1.554   5.802  -4.566
  459   3HG2  ILE  61          1HG2      ILE  61   1.948   4.672  -3.270
  460   1HD1  ILE  61          2HD1      ILE  61   0.302   3.454  -2.614
  461   2HD1  ILE  61          1HD1      ILE  61  -0.786   4.841  -2.558
  462   3HD1  ILE  61          3HD1      ILE  61  -1.433   3.221  -2.813
  463    H    THR  62           HN       THR  62   1.795   1.444  -6.980
  464    HA   THR  62           HA       THR  62  -0.904   0.656  -8.005
  465    HB   THR  62           HB       THR  62   1.726  -0.401  -9.069
  466    HG1  THR  62           HG1      THR  62   1.408   1.030 -10.779
  467   1HG2  THR  62          2HG2      THR  62  -1.166  -0.777  -9.661
  468   2HG2  THR  62          1HG2      THR  62  -0.069  -0.725 -11.041
  469   3HG2  THR  62          3HG2      THR  62   0.164  -1.929  -9.773
  470    H    ILE  63           HN       ILE  63  -1.473  -1.571  -7.592
  471    HA   ILE  63           HA       ILE  63   0.346  -3.092  -5.804
  472    HB   ILE  63           HB       ILE  63  -2.562  -2.528  -5.153
  473   1HG1  ILE  63          2HG1      ILE  63   0.013  -1.458  -3.955
  474   2HG1  ILE  63          1HG1      ILE  63  -1.171  -0.527  -4.864
  475   1HG2  ILE  63          2HG2      ILE  63  -0.358  -4.069  -3.755
  476   2HG2  ILE  63          1HG2      ILE  63  -1.852  -3.583  -2.952
  477   3HG2  ILE  63          3HG2      ILE  63  -1.908  -4.689  -4.324
  478   1HD1  ILE  63          3HD1      ILE  63  -2.750  -1.640  -2.923
  479   2HD1  ILE  63          2HD1      ILE  63  -1.236  -1.409  -2.049
  480   3HD1  ILE  63          1HD1      ILE  63  -2.030  -0.033  -2.818
  481    H    SER  64           HN       SER  64   0.099  -5.337  -5.994
  482    HA   SER  64           HA       SER  64  -2.168  -6.387  -7.586
  483   1HB   SER  64          2HB       SER  64  -0.390  -7.719  -8.945
  484   2HB   SER  64          1HB       SER  64  -0.704  -6.044  -9.391
  485    HG   SER  64           HG       SER  64   1.589  -6.888  -8.979
  486    H    ALA  65           HN       ALA  65  -2.905  -7.864  -6.125
  487    HA   ALA  65           HA       ALA  65  -0.999  -9.464  -4.515
  488   1HB   ALA  65          3HB       ALA  65  -3.169  -8.449  -3.602
  489   2HB   ALA  65          2HB       ALA  65  -4.018  -9.678  -4.537
  490   3HB   ALA  65          1HB       ALA  65  -2.906 -10.158  -3.255
  491    H    SER  66           HN       SER  66  -0.461 -11.551  -5.060
  492    HA   SER  66           HA       SER  66  -2.227 -13.055  -6.919
  493   1HB   SER  66          2HB       SER  66   0.267 -11.857  -7.669
  494   2HB   SER  66          1HB       SER  66   0.465 -13.607  -7.692
  495    HG   SER  66           HG       SER  66  -1.200 -11.951  -9.200
  496    H    GLY  67           HN       GLY  67  -2.744 -14.568  -5.324
  497   1HA   GLY  67          2HA       GLY  67  -0.892 -16.697  -4.837
  498   2HA   GLY  67          1HA       GLY  67  -1.002 -15.683  -3.398
  499    H    ALA  68           HN       ALA  68  -2.292 -16.769  -1.983
  500    HA   ALA  68           HA       ALA  68  -4.530 -18.419  -2.900
  501   1HB   ALA  68          3HB       ALA  68  -3.243 -17.788  -0.276
  502   2HB   ALA  68          2HB       ALA  68  -4.906 -18.376  -0.258
  503   3HB   ALA  68          1HB       ALA  68  -3.633 -19.355  -0.986
  504    H    ASP  69           HN       ASP  69  -4.515 -15.850  -0.414
  505    HA   ASP  69           HA       ASP  69  -7.245 -15.085  -1.317
  506   1HB   ASP  69          2HB       ASP  69  -7.273 -13.781   0.852
  507   2HB   ASP  69          1HB       ASP  69  -7.108 -15.523   1.052
  508    H    GLU  70           HN       GLU  70  -5.752 -14.195  -3.213
  509    HA   GLU  70           HA       GLU  70  -4.334 -11.727  -2.771
  510   1HB   GLU  70          2HB       GLU  70  -4.512 -11.475  -5.255
  511   2HB   GLU  70          1HB       GLU  70  -3.894 -13.051  -4.764
  512   1HG   GLU  70          2HG       GLU  70  -6.025 -14.100  -5.146
  513   2HG   GLU  70          1HG       GLU  70  -6.819 -12.540  -5.353
  514    H    ASN  71           HN       ASN  71  -7.709 -12.506  -3.314
  515    HA   ASN  71           HA       ASN  71  -8.480  -9.772  -3.991
  516   1HB   ASN  71          2HB       ASN  71 -10.213 -12.083  -3.068
  517   2HB   ASN  71          1HB       ASN  71 -10.766 -10.613  -3.872
  518   1HD2  ASN  71          2HD2      ASN  71  -9.876 -11.730  -7.112
  519   2HD2  ASN  71          1HD2      ASN  71 -10.463 -10.444  -6.171
  520    H    ASP  72           HN       ASP  72  -8.402 -11.759  -1.067
  521    HA   ASP  72           HA       ASP  72  -9.860  -9.860   0.569
  522   1HB   ASP  72          2HB       ASP  72  -7.941 -12.016   1.487
  523   2HB   ASP  72          1HB       ASP  72  -9.219 -11.257   2.436
  524    H    ALA  73           HN       ALA  73  -6.540 -10.132  -0.453
  525    HA   ALA  73           HA       ALA  73  -5.499  -8.476   1.721
  526   1HB   ALA  73          2HB       ALA  73  -4.273  -9.419  -0.880
  527   2HB   ALA  73          1HB       ALA  73  -3.408  -8.478   0.336
  528   3HB   ALA  73          3HB       ALA  73  -4.001 -10.093   0.727
  529    H    LEU  74           HN       LEU  74  -6.245  -7.986  -1.742
  530    HA   LEU  74           HA       LEU  74  -5.372  -5.244  -1.771
  531   1HB   LEU  74          2HB       LEU  74  -6.540  -5.092  -3.925
  532   2HB   LEU  74          1HB       LEU  74  -5.605  -6.580  -3.828
  533    HG   LEU  74           HG       LEU  74  -7.891  -7.556  -2.888
  534   1HD1  LEU  74          2HD1      LEU  74  -8.665  -4.940  -3.508
  535   2HD1  LEU  74          1HD1      LEU  74  -9.246  -5.888  -4.877
  536   3HD1  LEU  74          3HD1      LEU  74  -9.747  -6.305  -3.239
  537   1HD2  LEU  74          3HD2      LEU  74  -7.318  -6.981  -5.813
  538   2HD2  LEU  74          2HD2      LEU  74  -6.718  -8.355  -4.885
  539   3HD2  LEU  74          1HD2      LEU  74  -8.441  -8.208  -5.227
  540    H    ASN  75           HN       ASN  75  -8.543  -6.750  -1.218
  541    HA   ASN  75           HA       ASN  75  -9.869  -4.157  -1.002
  542   1HB   ASN  75          2HB       ASN  75 -11.843  -5.469  -0.290
  543   2HB   ASN  75          1HB       ASN  75 -11.142  -6.103  -1.776
  544   1HD2  ASN  75          2HD2      ASN  75 -11.665  -9.105   0.243
  545   2HD2  ASN  75          1HD2      ASN  75 -12.568  -8.012  -0.689
  546    H    ALA  76           HN       ALA  76  -8.116  -6.233   1.155
  547    HA   ALA  76           HA       ALA  76  -9.326  -5.286   3.615
  548   1HB   ALA  76          1HB       ALA  76  -6.726  -6.691   2.964
  549   2HB   ALA  76          3HB       ALA  76  -7.134  -6.194   4.607
  550   3HB   ALA  76          2HB       ALA  76  -8.153  -7.358   3.760
  551    H    LEU  77           HN       LEU  77  -6.170  -4.594   2.051
  552    HA   LEU  77           HA       LEU  77  -5.550  -2.379   3.774
  553   1HB   LEU  77          2HB       LEU  77  -4.569  -2.880   0.955
  554   2HB   LEU  77          1HB       LEU  77  -3.789  -1.876   2.177
  555    HG   LEU  77           HG       LEU  77  -4.325  -4.559   3.200
  556   1HD1  LEU  77          2HD1      LEU  77  -3.838  -4.692   0.548
  557   2HD1  LEU  77          1HD1      LEU  77  -2.180  -4.634   1.149
  558   3HD1  LEU  77          3HD1      LEU  77  -3.272  -5.910   1.690
  559   1HD2  LEU  77          1HD2      LEU  77  -1.940  -2.739   2.857
  560   2HD2  LEU  77          3HD2      LEU  77  -2.760  -3.201   4.347
  561   3HD2  LEU  77          2HD2      LEU  77  -1.759  -4.375   3.492
  562    H    GLU  78           HN       GLU  78  -7.262  -2.667   0.697
  563    HA   GLU  78           HA       GLU  78  -7.364   0.072  -0.034
  564   1HB   GLU  78          2HB       GLU  78  -8.121  -1.761  -1.504
  565   2HB   GLU  78          1HB       GLU  78  -9.483  -2.063  -0.430
  566   1HG   GLU  78          2HG       GLU  78 -10.658  -0.265  -1.196
  567   2HG   GLU  78          1HG       GLU  78  -9.217   0.741  -1.337
  568    H    GLU  79           HN       GLU  79  -9.767  -1.782   1.899
  569    HA   GLU  79           HA       GLU  79 -11.413   0.474   2.505
  570   1HB   GLU  79          2HB       GLU  79 -12.302  -0.921   4.351
  571   2HB   GLU  79          1HB       GLU  79 -12.190  -1.832   2.846
  572   1HG   GLU  79          2HG       GLU  79 -10.268  -3.010   3.569
  573   2HG   GLU  79          1HG       GLU  79  -9.959  -1.872   4.879
  574    H    THR  80           HN       THR  80  -8.392  -0.643   3.879
  575    HA   THR  80           HA       THR  80  -8.564   0.855   6.347
  576    HB   THR  80           HB       THR  80  -6.015   0.107   4.901
  577    HG1  THR  80           HG1      THR  80  -7.730  -1.486   6.498
  578   1HG2  THR  80          3HG2      THR  80  -6.143   1.533   7.076
  579   2HG2  THR  80          2HG2      THR  80  -6.567   0.009   7.856
  580   3HG2  THR  80          1HG2      THR  80  -5.020   0.173   7.024
  581    H    MET  81           HN       MET  81  -7.486   1.566   3.078
  582    HA   MET  81           HA       MET  81  -6.222   4.093   3.698
  583   1HB   MET  81          2HB       MET  81  -7.114   2.672   1.217
  584   2HB   MET  81          1HB       MET  81  -6.777   4.398   1.113
  585   1HG   MET  81          2HG       MET  81  -4.754   2.798   2.577
  586   2HG   MET  81          1HG       MET  81  -4.871   2.464   0.851
  587   1HE   MET  81          1HE       MET  81  -3.272   3.219  -0.390
  588   2HE   MET  81          3HE       MET  81  -2.335   4.717  -0.302
  589   3HE   MET  81          2HE       MET  81  -2.126   3.470   0.925
  590    H    LYS  82           HN       LYS  82  -9.508   3.060   3.068
  591    HA   LYS  82           HA       LYS  82 -10.485   5.798   2.636
  592   1HB   LYS  82          2HB       LYS  82 -11.662   3.051   2.614
  593   2HB   LYS  82          1HB       LYS  82 -12.746   4.409   2.924
  594   1HG   LYS  82          2HG       LYS  82 -12.844   4.464   0.635
  595   2HG   LYS  82          1HG       LYS  82 -11.372   5.415   0.829
  596   1HD   LYS  82          2HD       LYS  82  -9.993   3.677   0.172
  597   2HD   LYS  82          1HD       LYS  82 -11.118   2.437   0.726
  598   1HE   LYS  82          2HE       LYS  82 -11.775   4.243  -1.603
  599   2HE   LYS  82          1HE       LYS  82 -10.885   2.735  -1.821
  600   1HZ   LYS  82          2HZ       LYS  82 -13.496   2.899  -0.425
  601   2HZ   LYS  82          1HZ       LYS  82 -13.345   2.555  -2.081
  602   3HZ   LYS  82          3HZ       LYS  82 -12.679   1.499  -0.933
  603    H    SER  83           HN       SER  83 -10.146   3.546   5.295
  604    HA   SER  83           HA       SER  83 -12.086   4.721   7.057
  605   1HB   SER  83          2HB       SER  83 -10.757   3.585   8.856
  606   2HB   SER  83          1HB       SER  83 -11.192   2.512   7.529
  607    HG   SER  83           HG       SER  83  -8.962   2.385   8.180
  608    H    GLU  84           HN       GLU  84  -8.526   5.122   6.915
  609    HA   GLU  84           HA       GLU  84  -8.702   7.480   8.673
  610   1HB   GLU  84          2HB       GLU  84  -6.481   5.862   7.470
  611   2HB   GLU  84          1HB       GLU  84  -6.138   7.501   8.025
  612   1HG   GLU  84          2HG       GLU  84  -7.122   6.920  10.241
  613   2HG   GLU  84          1HG       GLU  84  -7.339   5.261   9.679
  614    H    GLY  85           HN       GLY  85  -8.306   6.730   5.266
  615   1HA   GLY  85          2HA       GLY  85  -8.720   8.217   3.455
  616   2HA   GLY  85          1HA       GLY  85  -8.759   9.559   4.599
  617    H    LEU  86           HN       LEU  86  -6.261   7.090   3.921
  618    HA   LEU  86           HA       LEU  86  -4.186   9.161   3.988
  619   1HB   LEU  86          2HB       LEU  86  -4.109   6.172   3.513
  620   2HB   LEU  86          1HB       LEU  86  -2.670   7.191   3.471
  621    HG   LEU  86           HG       LEU  86  -4.565   6.959   5.830
  622   1HD1  LEU  86          2HD1      LEU  86  -2.977   4.976   5.123
  623   2HD1  LEU  86          1HD1      LEU  86  -1.719   6.008   5.802
  624   3HD1  LEU  86          3HD1      LEU  86  -3.062   5.474   6.814
  625   1HD2  LEU  86          3HD2      LEU  86  -1.968   8.449   5.363
  626   2HD2  LEU  86          2HD2      LEU  86  -3.522   9.118   5.864
  627   3HD2  LEU  86          1HD2      LEU  86  -2.594   8.116   6.978
  628    H    GLY  87           HN       GLY  87  -5.621   6.986   1.558
  629   1HA   GLY  87          2HA       GLY  87  -5.025   8.900  -0.563
  630   2HA   GLY  87          1HA       GLY  87  -4.054   7.431  -0.667
  631    H    GLU  88           HN       GLU  88  -6.343   8.529  -2.358
  632    HA   GLU  88           HA       GLU  88  -7.885   5.980  -2.438
  633   1HB   GLU  88          2HB       GLU  88  -9.954   7.318  -2.926
  634   2HB   GLU  88          1HB       GLU  88  -9.341   7.552  -1.288
  635   1HG   GLU  88          2HG       GLU  88  -8.091   9.583  -2.169
  636   2HG   GLU  88          1HG       GLU  88  -9.017   9.405  -3.659
   
  No H/Q in entry =         636
  Start of MODEL    9
    1   1H    ALA   2          1HT       ALA   2  -5.192  -9.339  -9.771
    2   2H    ALA   2          3HT       ALA   2  -6.433 -10.495  -9.752
    3   3H    ALA   2          2HT       ALA   2  -6.760  -8.906 -10.258
    4    HA   ALA   2           HA       ALA   2  -7.586  -8.859  -8.133
    5   1HB   ALA   2          2HB       ALA   2  -6.821 -11.145  -7.571
    6   2HB   ALA   2          1HB       ALA   2  -5.188 -10.530  -7.320
    7   3HB   ALA   2          3HB       ALA   2  -6.496 -10.019  -6.253
    8    H    GLN   3           HN       GLN   3  -5.638  -7.213  -9.645
    9    HA   GLN   3           HA       GLN   3  -4.067  -5.996  -7.423
   10   1HB   GLN   3          2HB       GLN   3  -2.950  -4.715  -9.286
   11   2HB   GLN   3          1HB       GLN   3  -2.728  -6.460  -9.381
   12   1HG   GLN   3          2HG       GLN   3  -4.302  -6.683 -11.134
   13   2HG   GLN   3          1HG       GLN   3  -4.993  -5.089 -10.827
   14   1HE2  GLN   3          2HE2      GLN   3  -1.309  -5.209 -12.673
   15   2HE2  GLN   3          1HE2      GLN   3  -1.691  -6.399 -11.525
   16    H    LYS   4           HN       LYS   4  -4.202  -3.695  -7.086
   17    HA   LYS   4           HA       LYS   4  -6.505  -2.313  -8.365
   18   1HB   LYS   4          2HB       LYS   4  -6.150  -2.872  -5.427
   19   2HB   LYS   4          1HB       LYS   4  -7.026  -1.437  -5.961
   20   1HG   LYS   4          2HG       LYS   4  -8.272  -3.172  -7.525
   21   2HG   LYS   4          1HG       LYS   4  -7.737  -4.327  -6.304
   22   1HD   LYS   4          2HD       LYS   4  -9.711  -3.694  -5.313
   23   2HD   LYS   4          1HD       LYS   4  -8.682  -2.412  -4.672
   24   1HE   LYS   4          2HE       LYS   4 -10.655  -1.364  -5.583
   25   2HE   LYS   4          1HE       LYS   4  -9.319  -1.017  -6.681
   26   1HZ   LYS   4          1HZ       LYS   4 -11.039  -3.377  -7.094
   27   2HZ   LYS   4          3HZ       LYS   4 -11.519  -1.851  -7.658
   28   3HZ   LYS   4          2HZ       LYS   4 -10.075  -2.548  -8.222
   29    H    THR   5           HN       THR   5  -6.033  -0.198  -8.797
   30    HA   THR   5           HA       THR   5  -3.380   0.812  -7.978
   31    HB   THR   5           HB       THR   5  -5.405   2.221  -9.727
   32    HG1  THR   5           HG1      THR   5  -3.455   0.280 -10.409
   33   1HG2  THR   5          1HG2      THR   5  -3.261   3.324  -8.769
   34   2HG2  THR   5          3HG2      THR   5  -2.400   2.288  -9.906
   35   3HG2  THR   5          2HG2      THR   5  -3.566   3.470 -10.500
   36    H    PHE   6           HN       PHE   6  -3.117   2.305  -6.386
   37    HA   PHE   6           HA       PHE   6  -5.574   3.619  -5.298
   38   1HB   PHE   6          2HB       PHE   6  -3.022   2.762  -3.906
   39   2HB   PHE   6          1HB       PHE   6  -4.284   3.730  -3.141
   40    HD1  PHE   6          1HD       PHE   6  -3.470   0.425  -4.596
   41    HD2  PHE   6          2HD       PHE   6  -6.405   2.762  -2.505
   42    HE1  PHE   6          1HE       PHE   6  -4.746  -1.638  -4.081
   43    HE2  PHE   6          2HE       PHE   6  -7.679   0.700  -1.992
   44    HZ   PHE   6           HZ       PHE   6  -6.854  -1.500  -2.777
   45    H    LYS   7           HN       LYS   7  -5.320   5.826  -4.565
   46    HA   LYS   7           HA       LYS   7  -3.078   7.246  -5.939
   47   1HB   LYS   7          2HB       LYS   7  -5.953   7.802  -5.595
   48   2HB   LYS   7          1HB       LYS   7  -4.918   9.191  -5.265
   49   1HG   LYS   7          2HG       LYS   7  -4.230   7.619  -7.688
   50   2HG   LYS   7          1HG       LYS   7  -5.746   8.518  -7.760
   51   1HD   LYS   7          2HD       LYS   7  -4.170  10.423  -6.686
   52   2HD   LYS   7          1HD       LYS   7  -2.951   9.527  -7.592
   53   1HE   LYS   7          2HE       LYS   7  -3.909  10.020  -9.641
   54   2HE   LYS   7          1HE       LYS   7  -5.530  10.176  -8.963
   55   1HZ   LYS   7          2HZ       LYS   7  -3.323  12.090  -8.440
   56   2HZ   LYS   7          1HZ       LYS   7  -4.503  12.311  -9.643
   57   3HZ   LYS   7          3HZ       LYS   7  -4.958  12.266  -8.010
   58    H    VAL   8           HN       VAL   8  -1.595   8.242  -4.666
   59    HA   VAL   8           HA       VAL   8  -1.960   8.215  -1.748
   60    HB   VAL   8           HB       VAL   8   0.359   9.321  -3.358
   61   1HG1  VAL   8          1HG1      VAL   8  -0.140   9.691  -0.739
   62   2HG1  VAL   8          3HG1      VAL   8   0.639   8.111  -0.651
   63   3HG1  VAL   8          2HG1      VAL   8   1.495   9.477  -1.366
   64   1HG2  VAL   8          3HG2      VAL   8  -0.383   6.529  -2.533
   65   2HG2  VAL   8          2HG2      VAL   8   0.352   7.088  -4.035
   66   3HG2  VAL   8          1HG2      VAL   8   1.319   6.989  -2.564
   67    H    THR   9           HN       THR   9  -3.070   9.862  -0.826
   68    HA   THR   9           HA       THR   9  -2.685  12.609  -1.949
   69    HB   THR   9           HB       THR   9  -5.141  11.784  -0.415
   70    HG1  THR   9           HG1      THR   9  -5.705  10.598  -2.028
   71   1HG2  THR   9          3HG2      THR   9  -4.389  14.209  -1.108
   72   2HG2  THR   9          2HG2      THR   9  -4.985  13.726  -2.695
   73   3HG2  THR   9          1HG2      THR   9  -6.072  13.722  -1.307
   74    H    ALA  10           HN       ALA  10  -2.063  10.653   0.736
   75    HA   ALA  10           HA       ALA  10  -2.605  12.417   2.913
   76   1HB   ALA  10          3HB       ALA  10  -1.761   9.900   2.831
   77   2HB   ALA  10          2HB       ALA  10  -0.177  10.665   2.950
   78   3HB   ALA  10          1HB       ALA  10  -1.383  10.932   4.209
   79    H    ASP  11           HN       ASP  11  -1.201  13.906   3.987
   80    HA   ASP  11           HA       ASP  11   0.373  15.575   2.287
   81   1HB   ASP  11          2HB       ASP  11  -0.704  16.272   4.459
   82   2HB   ASP  11          1HB       ASP  11   0.563  15.384   5.307
   83    H    SER  12           HN       SER  12   1.467  13.429   4.945
   84    HA   SER  12           HA       SER  12   4.251  13.654   4.278
   85   1HB   SER  12          2HB       SER  12   4.331  11.414   5.623
   86   2HB   SER  12          1HB       SER  12   3.856  12.890   6.459
   87    HG   SER  12           HG       SER  12   2.449  11.029   6.772
   88    H    GLY  13           HN       GLY  13   1.682  11.475   3.234
   89   1HA   GLY  13          2HA       GLY  13   1.748  10.396   1.059
   90   2HA   GLY  13          1HA       GLY  13   3.510  10.453   1.120
   91    H    ILE  14           HN       ILE  14   4.160   8.347   1.110
   92    HA   ILE  14           HA       ILE  14   2.837   6.486   3.045
   93    HB   ILE  14           HB       ILE  14   4.341   5.764   0.512
   94   1HG1  ILE  14          2HG1      ILE  14   1.353   5.717   1.025
   95   2HG1  ILE  14          1HG1      ILE  14   2.174   7.002   0.138
   96   1HG2  ILE  14          3HG2      ILE  14   4.145   4.139   2.540
   97   2HG2  ILE  14          2HG2      ILE  14   2.447   4.021   2.078
   98   3HG2  ILE  14          1HG2      ILE  14   3.705   3.539   0.941
   99   1HD1  ILE  14          1HD1      ILE  14   2.212   4.061  -0.601
  100   2HD1  ILE  14          3HD1      ILE  14   1.250   5.303  -1.402
  101   3HD1  ILE  14          2HD1      ILE  14   3.010   5.357  -1.493
  102   1HN   HIP  15           HN       HIP  15   4.320   7.241   4.709
  103    HA   HIP  15           HA       HIP  15   7.141   6.431   4.273
  104   1HB   HIP  15          1HB       HIP  15   6.713   8.799   4.977
  105   2HB   HIP  15          2HB       HIP  15   7.762   7.912   6.066
  106    HD2  HIP  15          2HD       HIP  15   3.809   8.399   6.098
  107    HE2  HIP  15          2HE       HIP  15   3.226   8.987   8.558
  108    HE1  HIP  15          1HE       HIP  15   5.328   9.063   9.965
  109    H    ALA  16           HN       ALA  16   7.354   6.359   7.386
  110    HA   ALA  16           HA       ALA  16   7.034   3.507   7.571
  111   1HB   ALA  16          2HB       ALA  16   7.898   5.685   9.417
  112   2HB   ALA  16          1HB       ALA  16   7.459   4.126  10.115
  113   3HB   ALA  16          3HB       ALA  16   8.751   4.224   8.920
  114    H    ARG  17           HN       ARG  17   5.136   6.201   9.003
  115    HA   ARG  17           HA       ARG  17   3.490   4.673  10.692
  116   1HB   ARG  17          2HB       ARG  17   3.557   7.321   9.897
  117   2HB   ARG  17          1HB       ARG  17   1.990   6.777   9.305
  118   1HG   ARG  17          2HG       ARG  17   1.394   5.961  11.526
  119   2HG   ARG  17          1HG       ARG  17   2.994   6.385  12.138
  120   1HD   ARG  17          2HD       ARG  17   2.572   8.679  12.042
  121   2HD   ARG  17          1HD       ARG  17   1.307   8.496  10.827
  122    HE   ARG  17           HE       ARG  17  -0.227   7.849  12.577
  123   1HH1  ARG  17          HH11      ARG  17   0.930   6.335  14.576
  124   2HH1  ARG  17          HH12      ARG  17   1.397   7.434  15.830
  125   1HH2  ARG  17          HH21      ARG  17   1.255  10.235  13.791
  126   2HH2  ARG  17          HH22      ARG  17   1.581   9.642  15.385
  127    HA   PRO  18           HA       PRO  18   0.374   3.867   7.180
  128   1HB   PRO  18          2HB       PRO  18   1.129   4.417   4.590
  129   2HB   PRO  18          1HB       PRO  18   0.247   5.555   5.624
  130   1HG   PRO  18          2HG       PRO  18   3.126   5.571   4.839
  131   2HG   PRO  18          1HG       PRO  18   2.073   6.927   5.270
  132   1HD   PRO  18          2HD       PRO  18   3.992   5.757   6.958
  133   2HD   PRO  18          1HD       PRO  18   2.675   6.821   7.481
  134    H    ALA  19           HN       ALA  19   3.794   3.355   6.595
  135    HA   ALA  19           HA       ALA  19   3.493   0.963   4.985
  136   1HB   ALA  19          3HB       ALA  19   5.577   2.344   5.042
  137   2HB   ALA  19          2HB       ALA  19   5.847   1.810   6.701
  138   3HB   ALA  19          1HB       ALA  19   5.875   0.641   5.382
  139    H    THR  20           HN       THR  20   3.325   1.652   8.397
  140    HA   THR  20           HA       THR  20   3.773  -1.135   9.203
  141    HB   THR  20           HB       THR  20   2.518   0.880  11.024
  142    HG1  THR  20           HG1      THR  20   4.474   1.888  11.309
  143   1HG2  THR  20          2HG2      THR  20   4.445  -1.416  11.193
  144   2HG2  THR  20          1HG2      THR  20   4.410  -0.206  12.475
  145   3HG2  THR  20          3HG2      THR  20   2.962  -1.141  12.105
  146    H    VAL  21           HN       VAL  21   1.099   1.053   8.566
  147    HA   VAL  21           HA       VAL  21  -0.987  -0.602   9.686
  148    HB   VAL  21           HB       VAL  21  -1.271   1.338   7.400
  149   1HG1  VAL  21          3HG1      VAL  21  -3.159  -0.247   8.250
  150   2HG1  VAL  21          2HG1      VAL  21  -3.222   0.842   9.635
  151   3HG1  VAL  21          1HG1      VAL  21  -3.534   1.460   8.013
  152   1HG2  VAL  21          2HG2      VAL  21  -0.718   1.802  10.295
  153   2HG2  VAL  21          1HG2      VAL  21  -0.283   2.789   8.900
  154   3HG2  VAL  21          3HG2      VAL  21  -1.927   2.836   9.537
  155    H    LEU  22           HN       LEU  22   0.468  -0.261   6.506
  156    HA   LEU  22           HA       LEU  22  -1.317  -2.117   5.191
  157   1HB   LEU  22          2HB       LEU  22   1.365  -0.936   4.450
  158   2HB   LEU  22          1HB       LEU  22   0.423  -1.966   3.366
  159    HG   LEU  22           HG       LEU  22  -0.618   0.590   4.630
  160   1HD1  LEU  22          2HD1      LEU  22   0.617   0.010   1.925
  161   2HD1  LEU  22          1HD1      LEU  22  -0.436   1.399   2.199
  162   3HD1  LEU  22          3HD1      LEU  22   1.081   1.254   3.087
  163   1HD2  LEU  22          3HD2      LEU  22  -1.684  -1.363   2.572
  164   2HD2  LEU  22          2HD2      LEU  22  -2.443  -0.857   4.082
  165   3HD2  LEU  22          1HD2      LEU  22  -2.323   0.273   2.734
  166    H    VAL  23           HN       VAL  23   2.120  -2.370   6.213
  167    HA   VAL  23           HA       VAL  23   2.570  -5.036   5.450
  168    HB   VAL  23           HB       VAL  23   4.337  -3.533   6.318
  169   1HG1  VAL  23          1HG1      VAL  23   2.863  -2.641   8.193
  170   2HG1  VAL  23          3HG1      VAL  23   3.234  -4.123   9.073
  171   3HG1  VAL  23          2HG1      VAL  23   4.527  -3.005   8.642
  172   1HG2  VAL  23          1HG2      VAL  23   4.222  -6.226   6.572
  173   2HG2  VAL  23          3HG2      VAL  23   5.621  -5.277   7.074
  174   3HG2  VAL  23          2HG2      VAL  23   4.421  -5.780   8.266
  175    H    GLN  24           HN       GLN  24   0.728  -3.814   8.168
  176    HA   GLN  24           HA       GLN  24   0.589  -6.344   9.591
  177   1HB   GLN  24          2HB       GLN  24  -0.954  -3.753   9.755
  178   2HB   GLN  24          1HB       GLN  24  -1.394  -5.153  10.730
  179   1HG   GLN  24          2HG       GLN  24   1.446  -4.773  10.924
  180   2HG   GLN  24          1HG       GLN  24   0.656  -3.230  11.241
  181   1HE2  GLN  24          2HE2      GLN  24  -0.565  -4.228  14.394
  182   2HE2  GLN  24          1HE2      GLN  24  -0.394  -2.981  13.255
  183    H    THR  25           HN       THR  25  -1.569  -4.616   7.334
  184    HA   THR  25           HA       THR  25  -3.687  -6.569   7.447
  185    HB   THR  25           HB       THR  25  -3.021  -4.658   5.189
  186    HG1  THR  25           HG1      THR  25  -3.263  -3.513   7.077
  187   1HG2  THR  25          3HG2      THR  25  -5.483  -6.217   5.981
  188   2HG2  THR  25          2HG2      THR  25  -5.574  -4.793   4.944
  189   3HG2  THR  25          1HG2      THR  25  -4.653  -6.205   4.425
  190    H    ALA  26           HN       ALA  26  -1.483  -5.902   4.701
  191    HA   ALA  26           HA       ALA  26  -2.011  -8.243   3.240
  192   1HB   ALA  26          3HB       ALA  26   0.476  -6.540   3.449
  193   2HB   ALA  26          2HB       ALA  26   0.365  -7.903   2.336
  194   3HB   ALA  26          1HB       ALA  26  -0.742  -6.540   2.173
  195    H    SER  27           HN       SER  27  -0.084  -7.870   6.132
  196    HA   SER  27           HA       SER  27   1.540 -10.211   5.910
  197   1HB   SER  27          2HB       SER  27   0.648  -8.417   8.097
  198   2HB   SER  27          1HB       SER  27   1.129 -10.037   8.590
  199    HG   SER  27           HG       SER  27   2.964  -8.806   8.550
  200    H    LYS  28           HN       LYS  28  -1.685  -9.722   7.356
  201    HA   LYS  28           HA       LYS  28  -2.061 -12.428   8.207
  202   1HB   LYS  28          2HB       LYS  28  -4.050 -10.268   7.457
  203   2HB   LYS  28          1HB       LYS  28  -4.510 -11.817   8.165
  204   1HG   LYS  28          2HG       LYS  28  -3.648 -11.288  10.228
  205   2HG   LYS  28          1HG       LYS  28  -2.362 -10.288   9.551
  206   1HD   LYS  28          2HD       LYS  28  -3.693  -8.410   9.432
  207   2HD   LYS  28          1HD       LYS  28  -5.171  -9.343   9.197
  208   1HE   LYS  28          2HE       LYS  28  -3.787  -9.684  11.808
  209   2HE   LYS  28          1HE       LYS  28  -4.584  -8.135  11.532
  210   1HZ   LYS  28          3HZ       LYS  28  -6.533  -9.595  10.745
  211   2HZ   LYS  28          2HZ       LYS  28  -5.757 -10.836  11.608
  212   3HZ   LYS  28          1HZ       LYS  28  -6.261  -9.426  12.411
  213    H    TYR  29           HN       TYR  29  -2.356 -10.887   5.077
  214    HA   TYR  29           HA       TYR  29  -3.836 -13.178   3.945
  215   1HB   TYR  29          2HB       TYR  29  -2.730 -10.663   2.652
  216   2HB   TYR  29          1HB       TYR  29  -3.698 -11.884   1.823
  217    HD1  TYR  29          2HD       TYR  29  -6.023 -12.429   2.763
  218    HD2  TYR  29          1HD       TYR  29  -3.776  -8.952   3.906
  219    HE1  TYR  29          2HE       TYR  29  -8.099 -11.364   3.600
  220    HE2  TYR  29          1HE       TYR  29  -5.852  -7.887   4.746
  221    HH   TYR  29           HH       TYR  29  -8.678  -9.571   5.316
  222    H    ASP  30           HN       ASP  30  -2.808 -14.915   3.135
  223    HA   ASP  30           HA       ASP  30   0.062 -15.121   3.079
  224   1HB   ASP  30          2HB       ASP  30  -2.223 -16.851   2.195
  225   2HB   ASP  30          1HB       ASP  30  -0.590 -17.252   1.661
  226    H    ALA  31           HN       ALA  31  -2.268 -14.014   0.742
  227    HA   ALA  31           HA       ALA  31  -0.901 -14.551  -1.684
  228   1HB   ALA  31          2HB       ALA  31  -2.803 -12.389  -0.804
  229   2HB   ALA  31          1HB       ALA  31  -2.063 -12.322  -2.404
  230   3HB   ALA  31          3HB       ALA  31  -3.070 -13.698  -1.954
  231    H    ASP  32           HN       ASP  32   0.626 -13.331  -2.873
  232    HA   ASP  32           HA       ASP  32   2.414 -11.676  -1.205
  233   1HB   ASP  32          2HB       ASP  32   2.726 -12.585  -4.083
  234   2HB   ASP  32          1HB       ASP  32   3.980 -11.859  -3.077
  235    H    VAL  33           HN       VAL  33   1.144  -9.760  -1.018
  236    HA   VAL  33           HA       VAL  33   0.395  -8.334  -3.498
  237    HB   VAL  33           HB       VAL  33  -0.633  -6.691  -1.957
  238   1HG1  VAL  33          3HG1      VAL  33  -1.377  -9.427  -2.284
  239   2HG1  VAL  33          2HG1      VAL  33  -1.757  -8.980  -0.622
  240   3HG1  VAL  33          1HG1      VAL  33  -2.427  -8.049  -1.960
  241   1HG2  VAL  33          2HG2      VAL  33   1.127  -8.027  -0.053
  242   2HG2  VAL  33          1HG2      VAL  33   0.288  -6.485   0.097
  243   3HG2  VAL  33          3HG2      VAL  33  -0.534  -7.982   0.536
  244    H    ASN  34           HN       ASN  34   1.656  -6.745  -4.373
  245    HA   ASN  34           HA       ASN  34   3.824  -5.590  -2.666
  246   1HB   ASN  34          2HB       ASN  34   4.083  -6.310  -5.600
  247   2HB   ASN  34          1HB       ASN  34   5.355  -5.684  -4.550
  248   1HD2  ASN  34          2HD2      ASN  34   4.306  -9.631  -4.321
  249   2HD2  ASN  34          1HD2      ASN  34   3.355  -8.548  -5.218
  250    H    LEU  35           HN       LEU  35   4.145  -3.397  -2.897
  251    HA   LEU  35           HA       LEU  35   2.125  -1.928  -4.489
  252   1HB   LEU  35          2HB       LEU  35   2.669  -1.390  -2.051
  253   2HB   LEU  35          1HB       LEU  35   4.215  -0.769  -2.628
  254    HG   LEU  35           HG       LEU  35   1.835   0.214  -4.095
  255   1HD1  LEU  35          3HD1      LEU  35   2.151   0.516  -1.157
  256   2HD1  LEU  35          2HD1      LEU  35   1.792   1.992  -2.051
  257   3HD1  LEU  35          1HD1      LEU  35   0.697   0.614  -2.148
  258   1HD2  LEU  35          3HD2      LEU  35   4.164   0.997  -4.494
  259   2HD2  LEU  35          2HD2      LEU  35   3.106   2.311  -3.985
  260   3HD2  LEU  35          1HD2      LEU  35   4.230   1.589  -2.835
  261    H    GLU  36           HN       GLU  36   2.735  -0.360  -6.072
  262    HA   GLU  36           HA       GLU  36   5.541  -0.657  -7.077
  263   1HB   GLU  36          2HB       GLU  36   3.412  -1.424  -8.462
  264   2HB   GLU  36          1HB       GLU  36   3.312   0.296  -8.838
  265   1HG   GLU  36          2HG       GLU  36   5.653   0.258  -9.629
  266   2HG   GLU  36          1HG       GLU  36   5.740  -1.468  -9.272
  267    H    TYR  37           HN       TYR  37   6.685   1.235  -7.544
  268    HA   TYR  37           HA       TYR  37   5.346   3.838  -7.584
  269   1HB   TYR  37          2HB       TYR  37   5.518   3.330  -5.143
  270   2HB   TYR  37          1HB       TYR  37   7.268   3.207  -5.324
  271    HD1  TYR  37          1HD       TYR  37   4.617   5.577  -6.546
  272    HD2  TYR  37          2HD       TYR  37   8.395   5.090  -4.562
  273    HE1  TYR  37          1HE       TYR  37   4.817   8.039  -6.323
  274    HE2  TYR  37          2HE       TYR  37   8.594   7.552  -4.336
  275    HH   TYR  37           HH       TYR  37   7.645   9.597  -5.616
  276    H    ASN  38           HN       ASN  38   6.406   4.803  -9.228
  277    HA   ASN  38           HA       ASN  38   8.145   5.628 -10.557
  278   1HB   ASN  38          2HB       ASN  38   8.987   6.102  -8.077
  279   2HB   ASN  38          1HB       ASN  38  10.196   4.894  -8.513
  280   1HD2  ASN  38          2HD2      ASN  38  12.011   7.598  -9.920
  281   2HD2  ASN  38          1HD2      ASN  38  11.951   6.442  -8.679
  282    H    GLY  39           HN       GLY  39   7.486   2.642 -10.422
  283   1HA   GLY  39          2HA       GLY  39   8.243   0.962 -11.942
  284   2HA   GLY  39          1HA       GLY  39   9.782   1.805 -12.060
  285    H    LYS  40           HN       LYS  40   9.695   1.893  -8.933
  286    HA   LYS  40           HA       LYS  40  11.106  -0.676  -8.608
  287   1HB   LYS  40          2HB       LYS  40  10.701   1.641  -6.688
  288   2HB   LYS  40          1HB       LYS  40  11.728   0.238  -6.387
  289   1HG   LYS  40          2HG       LYS  40  13.336   0.915  -7.892
  290   2HG   LYS  40          1HG       LYS  40  12.170   1.741  -8.926
  291   1HD   LYS  40          2HD       LYS  40  11.965   3.559  -7.307
  292   2HD   LYS  40          1HD       LYS  40  13.045   2.720  -6.192
  293   1HE   LYS  40          2HE       LYS  40  14.363   4.369  -7.355
  294   2HE   LYS  40          1HE       LYS  40  14.813   2.790  -7.998
  295   1HZ   LYS  40          3HZ       LYS  40  12.653   4.315  -9.281
  296   2HZ   LYS  40          2HZ       LYS  40  14.270   4.728  -9.604
  297   3HZ   LYS  40          1HZ       LYS  40  13.702   3.164  -9.954
  298    H    THR  41           HN       THR  41   9.984  -2.427  -7.960
  299    HA   THR  41           HA       THR  41   7.378  -2.066  -6.596
  300    HB   THR  41           HB       THR  41   8.576  -4.705  -7.422
  301    HG1  THR  41           HG1      THR  41   7.066  -2.953  -9.057
  302   1HG2  THR  41          2HG2      THR  41   5.867  -3.590  -6.806
  303   2HG2  THR  41          1HG2      THR  41   5.993  -4.935  -7.940
  304   3HG2  THR  41          3HG2      THR  41   6.593  -5.113  -6.292
  305    H    VAL  42           HN       VAL  42   7.373  -2.085  -4.418
  306    HA   VAL  42           HA       VAL  42   9.489  -3.649  -2.998
  307    HB   VAL  42           HB       VAL  42   8.575  -2.243  -0.973
  308   1HG1  VAL  42          2HG1      VAL  42  10.552  -1.654  -3.069
  309   2HG1  VAL  42          1HG1      VAL  42  10.066  -0.248  -2.121
  310   3HG1  VAL  42          3HG1      VAL  42  10.729  -1.668  -1.314
  311   1HG2  VAL  42          1HG2      VAL  42   6.737  -1.300  -2.600
  312   2HG2  VAL  42          3HG2      VAL  42   7.501  -0.219  -1.434
  313   3HG2  VAL  42          2HG2      VAL  42   8.023  -0.209  -3.119
  314    H    ASN  43           HN       ASN  43   8.857  -5.070  -1.328
  315    HA   ASN  43           HA       ASN  43   6.299  -6.355  -1.694
  316   1HB   ASN  43          2HB       ASN  43   8.564  -7.308  -0.755
  317   2HB   ASN  43          1HB       ASN  43   7.957  -6.709   0.790
  318   1HD2  ASN  43          2HD2      ASN  43   6.340  -9.865   1.033
  319   2HD2  ASN  43          1HD2      ASN  43   7.598  -8.891   1.623
  320    H    LEU  44           HN       LEU  44   4.395  -6.017  -0.589
  321    HA   LEU  44           HA       LEU  44   3.859  -3.608   0.763
  322   1HB   LEU  44          2HB       LEU  44   2.240  -5.401  -0.200
  323   2HB   LEU  44          1HB       LEU  44   2.377  -6.170   1.376
  324    HG   LEU  44           HG       LEU  44   0.392  -4.657   1.163
  325   1HD1  LEU  44          2HD1      LEU  44   2.030  -5.038   3.299
  326   2HD1  LEU  44          1HD1      LEU  44   2.030  -3.277   3.195
  327   3HD1  LEU  44          3HD1      LEU  44   0.509  -4.151   3.365
  328   1HD2  LEU  44          2HD2      LEU  44   1.663  -2.953  -0.272
  329   2HD2  LEU  44          1HD2      LEU  44   0.628  -2.289   0.993
  330   3HD2  LEU  44          3HD2      LEU  44   2.373  -2.371   1.233
  331    H    LYS  45           HN       LYS  45   5.168  -6.618   1.985
  332    HA   LYS  45           HA       LYS  45   4.968  -5.699   4.793
  333   1HB   LYS  45          2HB       LYS  45   6.221  -8.219   3.646
  334   2HB   LYS  45          1HB       LYS  45   5.911  -7.894   5.352
  335   1HG   LYS  45          2HG       LYS  45   3.999  -9.084   4.877
  336   2HG   LYS  45          1HG       LYS  45   3.434  -7.479   4.412
  337   1HD   LYS  45          2HD       LYS  45   3.525  -7.945   2.161
  338   2HD   LYS  45          1HD       LYS  45   4.880  -9.059   2.340
  339   1HE   LYS  45          2HE       LYS  45   2.068  -9.661   3.292
  340   2HE   LYS  45          1HE       LYS  45   2.714 -10.189   1.737
  341   1HZ   LYS  45          2HZ       LYS  45   4.618 -11.130   3.166
  342   2HZ   LYS  45          1HZ       LYS  45   3.513 -11.009   4.451
  343   3HZ   LYS  45          3HZ       LYS  45   3.145 -11.975   3.107
  344    H    SER  46           HN       SER  46   6.396  -3.818   3.765
  345    HA   SER  46           HA       SER  46   9.173  -4.366   4.618
  346   1HB   SER  46          2HB       SER  46   8.747  -4.611   1.989
  347   2HB   SER  46          1HB       SER  46   8.865  -2.854   2.048
  348    HG   SER  46           HG       SER  46  10.811  -4.690   2.176
  349    H    ILE  47           HN       ILE  47   8.575  -2.972   6.369
  350    HA   ILE  47           HA       ILE  47   7.519  -0.318   5.938
  351    HB   ILE  47           HB       ILE  47   9.025  -1.365   8.348
  352   1HG1  ILE  47          2HG1      ILE  47   6.066  -1.462   7.645
  353   2HG1  ILE  47          1HG1      ILE  47   7.148  -2.849   7.748
  354   1HG2  ILE  47          2HG2      ILE  47   8.431   1.184   7.904
  355   2HG2  ILE  47          1HG2      ILE  47   6.817   0.667   8.395
  356   3HG2  ILE  47          3HG2      ILE  47   8.180   0.473   9.498
  357   1HD1  ILE  47          2HD1      ILE  47   7.606  -1.990  10.178
  358   2HD1  ILE  47          1HD1      ILE  47   6.088  -1.119   9.965
  359   3HD1  ILE  47          3HD1      ILE  47   6.119  -2.878   9.849
  360    H    MET  48           HN       MET  48  10.786  -1.627   6.393
  361    HA   MET  48           HA       MET  48  12.041   1.006   6.402
  362   1HB   MET  48          2HB       MET  48  12.884  -1.329   7.349
  363   2HB   MET  48          1HB       MET  48  13.569  -1.478   5.730
  364   1HG   MET  48          2HG       MET  48  15.012   0.310   6.024
  365   2HG   MET  48          1HG       MET  48  13.966   1.093   7.208
  366   1HE   MET  48          3HE       MET  48  16.053  -1.596   6.161
  367   2HE   MET  48          2HE       MET  48  17.408  -1.253   7.233
  368   3HE   MET  48          1HE       MET  48  16.380  -2.649   7.545
  369    H    GLY  49           HN       GLY  49  11.186  -1.373   3.973
  370   1HA   GLY  49          2HA       GLY  49  12.914  -0.305   1.897
  371   2HA   GLY  49          1HA       GLY  49  11.577  -1.428   1.649
  372    H    VAL  50           HN       VAL  50   9.556   0.242   2.889
  373    HA   VAL  50           HA       VAL  50   8.796   1.824   0.615
  374    HB   VAL  50           HB       VAL  50   7.725   1.948   3.452
  375   1HG1  VAL  50          2HG1      VAL  50   7.130   3.825   1.823
  376   2HG1  VAL  50          1HG1      VAL  50   6.313   2.600   0.855
  377   3HG1  VAL  50          3HG1      VAL  50   5.764   2.935   2.496
  378   1HG2  VAL  50          2HG2      VAL  50   7.787  -0.275   1.873
  379   2HG2  VAL  50          1HG2      VAL  50   6.499   0.064   3.028
  380   3HG2  VAL  50          3HG2      VAL  50   6.284   0.464   1.324
  381    H    VAL  51           HN       VAL  51  10.418   2.600   3.656
  382    HA   VAL  51           HA       VAL  51  10.231   5.482   3.294
  383    HB   VAL  51           HB       VAL  51  12.172   3.912   5.018
  384   1HG1  VAL  51          2HG1      VAL  51  11.373   6.785   4.762
  385   2HG1  VAL  51          1HG1      VAL  51  11.742   6.162   6.371
  386   3HG1  VAL  51          3HG1      VAL  51  12.959   6.088   5.096
  387   1HG2  VAL  51          1HG2      VAL  51   9.764   3.340   5.426
  388   2HG2  VAL  51          3HG2      VAL  51  10.528   4.136   6.801
  389   3HG2  VAL  51          2HG2      VAL  51   9.451   5.045   5.739
  390    H    SER  52           HN       SER  52  12.511   2.970   2.379
  391    HA   SER  52           HA       SER  52  14.740   4.642   1.742
  392   1HB   SER  52          2HB       SER  52  15.582   2.760   0.496
  393   2HB   SER  52          1HB       SER  52  14.751   2.116   1.909
  394    HG   SER  52           HG       SER  52  13.672   1.022   0.471
  395    H    LEU  53           HN       LEU  53  11.767   3.934   0.024
  396    HA   LEU  53           HA       LEU  53  12.640   4.832  -2.573
  397   1HB   LEU  53          2HB       LEU  53  10.013   4.274  -1.261
  398   2HB   LEU  53          1HB       LEU  53  10.008   5.239  -2.737
  399    HG   LEU  53           HG       LEU  53  11.549   3.380  -3.696
  400   1HD1  LEU  53          3HD1      LEU  53  11.794   2.367  -1.343
  401   2HD1  LEU  53          2HD1      LEU  53  10.159   1.742  -1.570
  402   3HD1  LEU  53          1HD1      LEU  53  11.454   1.243  -2.658
  403   1HD2  LEU  53          3HD2      LEU  53   8.603   3.338  -3.211
  404   2HD2  LEU  53          2HD2      LEU  53   9.489   3.413  -4.734
  405   3HD2  LEU  53          1HD2      LEU  53   9.331   1.878  -3.880
  406    H    GLY  54           HN       GLY  54  10.145   6.473  -0.619
  407   1HA   GLY  54          2HA       GLY  54  10.686   8.801   0.229
  408   2HA   GLY  54          1HA       GLY  54  11.456   9.069  -1.335
  409    H    ILE  55           HN       ILE  55   8.330   7.619  -0.376
  410    HA   ILE  55           HA       ILE  55   6.976   8.929  -2.610
  411    HB   ILE  55           HB       ILE  55   5.804   7.393  -0.268
  412   1HG1  ILE  55          2HG1      ILE  55   6.137   6.223  -2.998
  413   2HG1  ILE  55          1HG1      ILE  55   7.569   6.326  -1.973
  414   1HG2  ILE  55          3HG2      ILE  55   4.719   8.512  -2.824
  415   2HG2  ILE  55          2HG2      ILE  55   4.079   6.972  -2.251
  416   3HG2  ILE  55          1HG2      ILE  55   3.960   8.408  -1.235
  417   1HD1  ILE  55          1HD1      ILE  55   6.174   5.228  -0.141
  418   2HD1  ILE  55          3HD1      ILE  55   4.970   4.894  -1.386
  419   3HD1  ILE  55          2HD1      ILE  55   6.585   4.196  -1.512
  420    H    ALA  56           HN       ALA  56   5.138  10.398  -2.306
  421    HA   ALA  56           HA       ALA  56   4.912  11.773   0.290
  422   1HB   ALA  56          2HB       ALA  56   6.796  12.736  -1.425
  423   2HB   ALA  56          1HB       ALA  56   5.381  13.642  -1.963
  424   3HB   ALA  56          3HB       ALA  56   5.909  13.747  -0.282
  425    H    LYS  57           HN       LYS  57   3.476  13.983  -0.494
  426    HA   LYS  57           HA       LYS  57   0.927  12.817  -1.236
  427   1HB   LYS  57          2HB       LYS  57   1.341  14.814   0.324
  428   2HB   LYS  57          1HB       LYS  57   1.542  15.752  -1.150
  429   1HG   LYS  57          2HG       LYS  57  -0.762  14.437  -1.738
  430   2HG   LYS  57          1HG       LYS  57  -0.917  14.585   0.014
  431   1HD   LYS  57          2HD       LYS  57  -1.896  16.571  -0.823
  432   2HD   LYS  57          1HD       LYS  57  -0.276  17.063  -0.327
  433   1HE   LYS  57          2HE       LYS  57   0.486  17.259  -2.512
  434   2HE   LYS  57          1HE       LYS  57  -0.687  16.098  -3.134
  435   1HZ   LYS  57          1HZ       LYS  57  -1.324  18.826  -2.148
  436   2HZ   LYS  57          3HZ       LYS  57  -1.231  18.370  -3.778
  437   3HZ   LYS  57          2HZ       LYS  57  -2.437  17.710  -2.780
  438    H    GLY  58           HN       GLY  58  -0.243  13.128  -3.165
  439   1HA   GLY  58          2HA       GLY  58  -0.601  13.718  -5.424
  440   2HA   GLY  58          1HA       GLY  58   0.821  14.758  -5.338
  441    H    ALA  59           HN       ALA  59   0.211  11.243  -5.007
  442    HA   ALA  59           HA       ALA  59   2.184  10.764  -7.178
  443   1HB   ALA  59          2HB       ALA  59   2.353   9.722  -4.350
  444   2HB   ALA  59          1HB       ALA  59   3.119   8.872  -5.691
  445   3HB   ALA  59          3HB       ALA  59   3.606  10.520  -5.298
  446    H    GLU  60           HN       GLU  60   2.153   8.331  -7.746
  447    HA   GLU  60           HA       GLU  60  -0.600   7.230  -7.347
  448   1HB   GLU  60          2HB       GLU  60   1.055   7.197  -9.891
  449   2HB   GLU  60          1HB       GLU  60  -0.506   6.402  -9.681
  450   1HG   GLU  60          2HG       GLU  60  -1.211   8.403 -10.602
  451   2HG   GLU  60          1HG       GLU  60  -1.242   8.835  -8.891
  452    H    ILE  61           HN       ILE  61  -0.609   5.158  -6.620
  453    HA   ILE  61           HA       ILE  61   1.934   3.594  -6.841
  454    HB   ILE  61           HB       ILE  61   1.201   2.483  -4.703
  455   1HG1  ILE  61          2HG1      ILE  61  -0.808   4.759  -4.648
  456   2HG1  ILE  61          1HG1      ILE  61  -1.218   3.070  -4.945
  457   1HG2  ILE  61          3HG2      ILE  61   1.632   5.484  -4.719
  458   2HG2  ILE  61          2HG2      ILE  61   1.732   4.488  -3.266
  459   3HG2  ILE  61          1HG2      ILE  61   2.868   4.231  -4.590
  460   1HD1  ILE  61          3HD1      ILE  61  -0.009   2.592  -2.704
  461   2HD1  ILE  61          2HD1      ILE  61  -0.156   4.325  -2.416
  462   3HD1  ILE  61          1HD1      ILE  61  -1.604   3.341  -2.629
  463    H    THR  62           HN       THR  62   1.722   1.384  -7.368
  464    HA   THR  62           HA       THR  62  -1.025   0.531  -8.198
  465    HB   THR  62           HB       THR  62   1.435  -0.542  -9.538
  466    HG1  THR  62           HG1      THR  62   1.820   1.284 -10.471
  467   1HG2  THR  62          2HG2      THR  62  -1.480  -0.189 -10.145
  468   2HG2  THR  62          1HG2      THR  62  -0.331  -0.320 -11.474
  469   3HG2  THR  62          3HG2      THR  62  -0.477  -1.628 -10.303
  470    H    ILE  63           HN       ILE  63  -1.624  -0.929  -6.655
  471    HA   ILE  63           HA       ILE  63   0.390  -2.784  -5.523
  472    HB   ILE  63           HB       ILE  63  -2.553  -2.425  -4.864
  473   1HG1  ILE  63          2HG1      ILE  63  -0.083  -1.439  -3.401
  474   2HG1  ILE  63          1HG1      ILE  63  -1.114  -0.426  -4.412
  475   1HG2  ILE  63          3HG2      ILE  63  -0.343  -4.130  -3.747
  476   2HG2  ILE  63          2HG2      ILE  63  -1.609  -3.538  -2.672
  477   3HG2  ILE  63          1HG2      ILE  63  -2.028  -4.552  -4.054
  478   1HD1  ILE  63          2HD1      ILE  63  -2.976  -1.583  -2.785
  479   2HD1  ILE  63          1HD1      ILE  63  -1.594  -1.484  -1.693
  480   3HD1  ILE  63          3HD1      ILE  63  -2.219  -0.024  -2.459
  481    H    SER  64           HN       SER  64   0.030  -5.103  -5.575
  482    HA   SER  64           HA       SER  64  -1.986  -6.129  -7.476
  483   1HB   SER  64          2HB       SER  64  -0.007  -7.485  -8.548
  484   2HB   SER  64          1HB       SER  64  -0.329  -5.841  -9.093
  485    HG   SER  64           HG       SER  64   1.327  -5.112  -7.803
  486    H    ALA  65           HN       ALA  65  -2.917  -7.561  -6.069
  487    HA   ALA  65           HA       ALA  65  -1.231  -9.177  -4.254
  488   1HB   ALA  65          3HB       ALA  65  -3.516  -8.112  -3.654
  489   2HB   ALA  65          2HB       ALA  65  -4.221  -9.427  -4.593
  490   3HB   ALA  65          1HB       ALA  65  -3.244  -9.786  -3.169
  491    H    SER  66           HN       SER  66  -0.517 -11.173  -4.864
  492    HA   SER  66           HA       SER  66  -2.123 -12.707  -6.856
  493   1HB   SER  66          2HB       SER  66   0.810 -12.987  -7.053
  494   2HB   SER  66          1HB       SER  66  -0.402 -12.964  -8.325
  495    HG   SER  66           HG       SER  66   0.740 -10.788  -6.916
  496    H    GLY  67           HN       GLY  67  -2.795 -14.409  -5.627
  497   1HA   GLY  67          2HA       GLY  67  -1.022 -16.456  -4.798
  498   2HA   GLY  67          1HA       GLY  67  -1.387 -15.474  -3.379
  499    H    ALA  68           HN       ALA  68  -2.748 -16.836  -2.253
  500    HA   ALA  68           HA       ALA  68  -4.926 -18.251  -3.640
  501   1HB   ALA  68          1HB       ALA  68  -3.848 -18.197  -0.837
  502   2HB   ALA  68          3HB       ALA  68  -5.468 -18.830  -1.129
  503   3HB   ALA  68          2HB       ALA  68  -4.076 -19.574  -1.915
  504    H    ASP  69           HN       ASP  69  -4.869 -16.108  -0.767
  505    HA   ASP  69           HA       ASP  69  -7.618 -15.218  -1.459
  506   1HB   ASP  69          2HB       ASP  69  -7.540 -14.150   0.811
  507   2HB   ASP  69          1HB       ASP  69  -7.285 -15.896   0.855
  508    H    GLU  70           HN       GLU  70  -5.582 -14.304  -3.185
  509    HA   GLU  70           HA       GLU  70  -4.464 -11.778  -2.519
  510   1HB   GLU  70          2HB       GLU  70  -4.308 -11.426  -4.970
  511   2HB   GLU  70          1HB       GLU  70  -3.765 -13.037  -4.508
  512   1HG   GLU  70          2HG       GLU  70  -6.133 -13.844  -5.018
  513   2HG   GLU  70          1HG       GLU  70  -6.412 -12.266  -5.754
  514    H    ASN  71           HN       ASN  71  -7.703 -12.675  -3.518
  515    HA   ASN  71           HA       ASN  71  -8.559  -9.982  -4.184
  516   1HB   ASN  71          2HB       ASN  71 -10.125 -12.483  -3.487
  517   2HB   ASN  71          1HB       ASN  71 -10.854 -10.981  -4.057
  518   1HD2  ASN  71          2HD2      ASN  71 -10.014 -11.556  -7.437
  519   2HD2  ASN  71          1HD2      ASN  71 -10.761 -10.530  -6.310
  520    H    ASP  72           HN       ASP  72  -8.601 -11.992  -1.281
  521    HA   ASP  72           HA       ASP  72 -10.231 -10.161   0.274
  522   1HB   ASP  72          2HB       ASP  72  -8.334 -12.338   1.205
  523   2HB   ASP  72          1HB       ASP  72  -9.569 -11.553   2.189
  524    H    ALA  73           HN       ALA  73  -6.821 -10.414  -0.465
  525    HA   ALA  73           HA       ALA  73  -5.976  -8.713   1.752
  526   1HB   ALA  73          3HB       ALA  73  -4.507 -10.451   0.695
  527   2HB   ALA  73          2HB       ALA  73  -4.444  -9.447  -0.754
  528   3HB   ALA  73          1HB       ALA  73  -3.773  -8.849   0.763
  529    H    LEU  74           HN       LEU  74  -6.434  -8.251  -1.774
  530    HA   LEU  74           HA       LEU  74  -5.504  -5.560  -1.821
  531   1HB   LEU  74          2HB       LEU  74  -6.580  -5.361  -3.983
  532   2HB   LEU  74          1HB       LEU  74  -5.859  -6.959  -3.851
  533    HG   LEU  74           HG       LEU  74  -8.262  -7.621  -2.961
  534   1HD1  LEU  74          2HD1      LEU  74  -8.678  -4.918  -3.569
  535   2HD1  LEU  74          1HD1      LEU  74  -9.372  -5.777  -4.942
  536   3HD1  LEU  74          3HD1      LEU  74  -9.932  -6.129  -3.308
  537   1HD2  LEU  74          1HD2      LEU  74  -7.132  -8.500  -4.984
  538   2HD2  LEU  74          3HD2      LEU  74  -8.853  -8.236  -5.267
  539   3HD2  LEU  74          2HD2      LEU  74  -7.670  -7.084  -5.887
  540    H    ASN  75           HN       ASN  75  -8.792  -6.839  -1.258
  541    HA   ASN  75           HA       ASN  75  -9.941  -4.174  -1.086
  542   1HB   ASN  75          2HB       ASN  75 -11.979  -5.279  -0.334
  543   2HB   ASN  75          1HB       ASN  75 -11.299  -6.175  -1.689
  544   1HD2  ASN  75          2HD2      ASN  75 -12.032  -8.203   1.614
  545   2HD2  ASN  75          1HD2      ASN  75 -12.804  -6.766   1.144
  546    H    ALA  76           HN       ALA  76  -8.394  -6.350   1.178
  547    HA   ALA  76           HA       ALA  76  -9.384  -5.184   3.605
  548   1HB   ALA  76          3HB       ALA  76  -7.928  -7.345   3.186
  549   2HB   ALA  76          2HB       ALA  76  -6.578  -6.234   3.401
  550   3HB   ALA  76          1HB       ALA  76  -7.756  -6.450   4.694
  551    H    LEU  77           HN       LEU  77  -6.250  -4.644   1.939
  552    HA   LEU  77           HA       LEU  77  -5.503  -2.398   3.541
  553   1HB   LEU  77          2HB       LEU  77  -4.674  -2.913   0.677
  554   2HB   LEU  77          1HB       LEU  77  -3.793  -1.987   1.891
  555    HG   LEU  77           HG       LEU  77  -4.349  -4.608   2.957
  556   1HD1  LEU  77          3HD1      LEU  77  -4.317  -4.881   0.289
  557   2HD1  LEU  77          2HD1      LEU  77  -2.577  -4.895   0.582
  558   3HD1  LEU  77          1HD1      LEU  77  -3.614  -6.088   1.365
  559   1HD2  LEU  77          2HD2      LEU  77  -2.504  -3.068   3.612
  560   2HD2  LEU  77          1HD2      LEU  77  -1.911  -4.673   3.185
  561   3HD2  LEU  77          3HD2      LEU  77  -1.746  -3.339   2.043
  562    H    GLU  78           HN       GLU  78  -7.576  -2.693   0.729
  563    HA   GLU  78           HA       GLU  78  -7.558   0.031  -0.128
  564   1HB   GLU  78          2HB       GLU  78  -8.550  -1.724  -1.500
  565   2HB   GLU  78          1HB       GLU  78  -9.746  -2.070  -0.257
  566   1HG   GLU  78          2HG       GLU  78 -10.943  -0.103  -0.673
  567   2HG   GLU  78          1HG       GLU  78  -9.559   0.705  -1.406
  568    H    GLU  79           HN       GLU  79  -9.976  -1.606   1.968
  569    HA   GLU  79           HA       GLU  79 -11.366   0.757   2.709
  570   1HB   GLU  79          2HB       GLU  79 -12.168  -0.603   4.656
  571   2HB   GLU  79          1HB       GLU  79 -12.327  -1.436   3.110
  572   1HG   GLU  79          2HG       GLU  79 -10.527  -2.872   3.549
  573   2HG   GLU  79          1HG       GLU  79  -9.845  -1.799   4.771
  574    H    THR  80           HN       THR  80  -8.352  -0.584   3.885
  575    HA   THR  80           HA       THR  80  -8.272   0.931   6.357
  576    HB   THR  80           HB       THR  80  -5.934  -0.154   4.757
  577    HG1  THR  80           HG1      THR  80  -7.635  -1.369   6.669
  578   1HG2  THR  80          2HG2      THR  80  -5.351   1.403   6.580
  579   2HG2  THR  80          1HG2      THR  80  -6.296   0.433   7.710
  580   3HG2  THR  80          3HG2      THR  80  -4.846  -0.243   6.967
  581    H    MET  81           HN       MET  81  -7.258   1.492   3.039
  582    HA   MET  81           HA       MET  81  -5.760   3.909   3.563
  583   1HB   MET  81          2HB       MET  81  -6.912   2.582   1.121
  584   2HB   MET  81          1HB       MET  81  -6.285   4.225   1.008
  585   1HG   MET  81          2HG       MET  81  -4.528   2.321   2.441
  586   2HG   MET  81          1HG       MET  81  -4.751   1.974   0.727
  587   1HE   MET  81          1HE       MET  81  -2.446   1.999   0.922
  588   2HE   MET  81          3HE       MET  81  -2.068   3.065  -0.438
  589   3HE   MET  81          2HE       MET  81  -1.352   3.361   1.144
  590    H    LYS  82           HN       LYS  82  -9.134   3.155   2.955
  591    HA   LYS  82           HA       LYS  82  -9.872   5.973   2.565
  592   1HB   LYS  82          2HB       LYS  82 -11.280   3.338   2.494
  593   2HB   LYS  82          1HB       LYS  82 -12.246   4.779   2.820
  594   1HG   LYS  82          2HG       LYS  82 -11.576   5.808   0.766
  595   2HG   LYS  82          1HG       LYS  82 -10.318   4.602   0.497
  596   1HD   LYS  82          2HD       LYS  82 -11.840   2.952  -0.119
  597   2HD   LYS  82          1HD       LYS  82 -13.167   3.703   0.766
  598   1HE   LYS  82          2HE       LYS  82 -13.272   5.518  -0.877
  599   2HE   LYS  82          1HE       LYS  82 -11.894   4.837  -1.743
  600   1HZ   LYS  82          3HZ       LYS  82 -14.466   3.424  -1.293
  601   2HZ   LYS  82          2HZ       LYS  82 -14.051   4.235  -2.728
  602   3HZ   LYS  82          1HZ       LYS  82 -13.162   2.877  -2.228
  603    H    SER  83           HN       SER  83  -9.607   3.736   5.218
  604    HA   SER  83           HA       SER  83 -11.457   5.183   6.960
  605   1HB   SER  83          2HB       SER  83 -10.463   3.680   8.729
  606   2HB   SER  83          1HB       SER  83 -11.169   2.823   7.363
  607    HG   SER  83           HG       SER  83  -8.731   2.614   8.273
  608    H    GLU  84           HN       GLU  84  -7.902   4.700   6.965
  609    HA   GLU  84           HA       GLU  84  -7.480   6.767   8.956
  610   1HB   GLU  84          2HB       GLU  84  -5.554   5.400   7.053
  611   2HB   GLU  84          1HB       GLU  84  -5.071   6.467   8.372
  612   1HG   GLU  84          2HG       GLU  84  -6.596   4.836   9.805
  613   2HG   GLU  84          1HG       GLU  84  -6.240   3.713   8.493
  614    H    GLY  85           HN       GLY  85  -7.647   6.697   5.458
  615   1HA   GLY  85          2HA       GLY  85  -7.992   8.622   4.077
  616   2HA   GLY  85          1HA       GLY  85  -7.478   9.647   5.420
  617    H    LEU  86           HN       LEU  86  -5.779   6.830   4.100
  618    HA   LEU  86           HA       LEU  86  -3.312   8.391   3.888
  619   1HB   LEU  86          2HB       LEU  86  -4.010   5.509   3.293
  620   2HB   LEU  86          1HB       LEU  86  -2.399   6.179   3.030
  621    HG   LEU  86           HG       LEU  86  -3.871   6.270   5.679
  622   1HD1  LEU  86          2HD1      LEU  86  -3.227   3.956   4.896
  623   2HD1  LEU  86          1HD1      LEU  86  -1.550   4.500   4.872
  624   3HD1  LEU  86          3HD1      LEU  86  -2.442   4.462   6.392
  625   1HD2  LEU  86          3HD2      LEU  86  -1.104   7.054   4.743
  626   2HD2  LEU  86          2HD2      LEU  86  -2.287   8.043   5.600
  627   3HD2  LEU  86          1HD2      LEU  86  -1.452   6.737   6.443
  628    H    GLY  87           HN       GLY  87  -5.333   6.529   1.586
  629   1HA   GLY  87          2HA       GLY  87  -4.835   8.535  -0.500
  630   2HA   GLY  87          1HA       GLY  87  -4.109   6.959  -0.816
  631    H    GLU  88           HN       GLU  88  -6.395   8.407  -2.155
  632    HA   GLU  88           HA       GLU  88  -8.273   6.108  -2.114
  633   1HB   GLU  88          2HB       GLU  88 -10.200   7.772  -2.202
  634   2HB   GLU  88          1HB       GLU  88  -9.395   7.630  -0.641
  635   1HG   GLU  88          2HG       GLU  88  -8.207   9.649  -2.442
  636   2HG   GLU  88          1HG       GLU  88  -9.858  10.006  -1.937
   
  No H/Q in entry =         636
  Start of MODEL   10
    1   1H    ALA   2          1HT       ALA   2  -5.486  -9.122 -10.323
    2   2H    ALA   2          3HT       ALA   2  -5.055 -10.519  -9.465
    3   3H    ALA   2          2HT       ALA   2  -6.586 -10.412 -10.193
    4    HA   ALA   2           HA       ALA   2  -7.370  -8.871  -8.655
    5   1HB   ALA   2          1HB       ALA   2  -6.648 -11.327  -7.850
    6   2HB   ALA   2          3HB       ALA   2  -5.600 -10.383  -6.789
    7   3HB   ALA   2          2HB       ALA   2  -7.348 -10.150  -6.739
    8    H    GLN   3           HN       GLN   3  -6.175  -6.893  -9.312
    9    HA   GLN   3           HA       GLN   3  -4.218  -6.100  -7.201
   10   1HB   GLN   3          2HB       GLN   3  -3.013  -4.765  -8.963
   11   2HB   GLN   3          1HB       GLN   3  -2.892  -6.509  -9.191
   12   1HG   GLN   3          2HG       GLN   3  -4.907  -6.318 -10.739
   13   2HG   GLN   3          1HG       GLN   3  -4.679  -4.571 -10.672
   14   1HE2  GLN   3          2HE2      GLN   3  -1.249  -5.072 -12.139
   15   2HE2  GLN   3          1HE2      GLN   3  -1.811  -4.495 -10.645
   16    H    LYS   4           HN       LYS   4  -4.188  -3.749  -6.826
   17    HA   LYS   4           HA       LYS   4  -6.493  -2.257  -7.971
   18   1HB   LYS   4          2HB       LYS   4  -6.826  -3.472  -5.581
   19   2HB   LYS   4          1HB       LYS   4  -6.087  -1.965  -5.040
   20   1HG   LYS   4          2HG       LYS   4  -8.347  -1.912  -7.026
   21   2HG   LYS   4          1HG       LYS   4  -8.683  -2.066  -5.301
   22   1HD   LYS   4          2HD       LYS   4  -6.848  -0.020  -5.323
   23   2HD   LYS   4          1HD       LYS   4  -7.719   0.269  -6.829
   24   1HE   LYS   4          2HE       LYS   4  -9.797  -0.262  -5.148
   25   2HE   LYS   4          1HE       LYS   4  -8.658   0.491  -4.031
   26   1HZ   LYS   4          2HZ       LYS   4  -9.553   1.636  -6.622
   27   2HZ   LYS   4          1HZ       LYS   4 -10.078   2.134  -5.084
   28   3HZ   LYS   4          3HZ       LYS   4  -8.461   2.362  -5.541
   29    H    THR   5           HN       THR   5  -5.952  -0.162  -8.387
   30    HA   THR   5           HA       THR   5  -3.270   0.769  -7.519
   31    HB   THR   5           HB       THR   5  -5.202   2.063  -9.466
   32    HG1  THR   5           HG1      THR   5  -3.952   1.043 -11.040
   33   1HG2  THR   5          3HG2      THR   5  -3.304   3.408  -8.370
   34   2HG2  THR   5          2HG2      THR   5  -2.207   2.381  -9.291
   35   3HG2  THR   5          1HG2      THR   5  -3.367   3.408 -10.132
   36    H    PHE   6           HN       PHE   6  -3.001   2.530  -6.164
   37    HA   PHE   6           HA       PHE   6  -5.500   3.839  -5.159
   38   1HB   PHE   6          2HB       PHE   6  -2.988   3.118  -3.620
   39   2HB   PHE   6          1HB       PHE   6  -4.345   4.033  -2.963
   40    HD1  PHE   6          1HD       PHE   6  -3.295   0.743  -4.309
   41    HD2  PHE   6          2HD       PHE   6  -6.403   2.961  -2.342
   42    HE1  PHE   6          1HE       PHE   6  -4.475  -1.375  -3.787
   43    HE2  PHE   6          2HE       PHE   6  -7.582   0.841  -1.819
   44    HZ   PHE   6           HZ       PHE   6  -6.620  -1.326  -2.542
   45    H    LYS   7           HN       LYS   7  -5.109   6.047  -4.277
   46    HA   LYS   7           HA       LYS   7  -2.861   7.406  -5.717
   47   1HB   LYS   7          2HB       LYS   7  -5.734   7.935  -5.658
   48   2HB   LYS   7          1HB       LYS   7  -4.806   9.349  -5.165
   49   1HG   LYS   7          2HG       LYS   7  -3.859   7.836  -7.561
   50   2HG   LYS   7          1HG       LYS   7  -5.299   8.839  -7.738
   51   1HD   LYS   7          2HD       LYS   7  -2.951  10.033  -6.332
   52   2HD   LYS   7          1HD       LYS   7  -2.845   9.844  -8.083
   53   1HE   LYS   7          2HE       LYS   7  -4.896  11.114  -8.394
   54   2HE   LYS   7          1HE       LYS   7  -5.147  11.202  -6.651
   55   1HZ   LYS   7          1HZ       LYS   7  -2.837  12.355  -8.120
   56   2HZ   LYS   7          3HZ       LYS   7  -4.159  13.233  -7.522
   57   3HZ   LYS   7          2HZ       LYS   7  -3.101  12.455  -6.445
   58    H    VAL   8           HN       VAL   8  -1.426   8.369  -4.386
   59    HA   VAL   8           HA       VAL   8  -1.890   8.443  -1.507
   60    HB   VAL   8           HB       VAL   8   0.408   9.732  -2.999
   61   1HG1  VAL   8          2HG1      VAL   8   0.035  10.135  -0.517
   62   2HG1  VAL   8          1HG1      VAL   8   0.316   8.409  -0.279
   63   3HG1  VAL   8          3HG1      VAL   8   1.596   9.429  -0.936
   64   1HG2  VAL   8          2HG2      VAL   8  -0.184   6.843  -2.426
   65   2HG2  VAL   8          1HG2      VAL   8   0.571   7.564  -3.847
   66   3HG2  VAL   8          3HG2      VAL   8   1.486   7.405  -2.347
   67    H    THR   9           HN       THR   9  -2.835  10.104  -0.440
   68    HA   THR   9           HA       THR   9  -2.701  12.831  -1.659
   69    HB   THR   9           HB       THR   9  -5.110  11.725  -0.195
   70    HG1  THR   9           HG1      THR   9  -5.948  11.238  -2.131
   71   1HG2  THR   9          3HG2      THR   9  -4.337  14.342  -0.919
   72   2HG2  THR   9          2HG2      THR   9  -5.567  13.864  -2.087
   73   3HG2  THR   9          1HG2      THR   9  -5.925  13.815  -0.362
   74    H    ALA  10           HN       ALA  10  -1.732  11.037   0.937
   75    HA   ALA  10           HA       ALA  10  -2.474  12.760   3.133
   76   1HB   ALA  10          2HB       ALA  10  -0.609  10.473   2.713
   77   2HB   ALA  10          1HB       ALA  10  -0.282  11.536   4.082
   78   3HB   ALA  10          3HB       ALA  10  -1.835  10.708   3.958
   79    H    ASP  11           HN       ASP  11  -1.199  14.374   4.138
   80    HA   ASP  11           HA       ASP  11   0.425  15.982   2.402
   81   1HB   ASP  11          2HB       ASP  11  -0.881  16.516   4.678
   82   2HB   ASP  11          1HB       ASP  11   0.721  16.236   5.362
   83    H    SER  12           HN       SER  12   1.201  13.601   4.909
   84    HA   SER  12           HA       SER  12   4.082  14.071   4.704
   85   1HB   SER  12          2HB       SER  12   4.057  11.806   6.033
   86   2HB   SER  12          1HB       SER  12   3.489  13.274   6.821
   87    HG   SER  12           HG       SER  12   1.582  12.412   6.929
   88    H    GLY  13           HN       GLY  13   1.715  11.898   3.285
   89   1HA   GLY  13          2HA       GLY  13   2.098  10.831   1.140
   90   2HA   GLY  13          1HA       GLY  13   3.833  10.885   1.459
   91    H    ILE  14           HN       ILE  14   4.121   8.630   1.140
   92    HA   ILE  14           HA       ILE  14   2.800   6.887   3.180
   93    HB   ILE  14           HB       ILE  14   4.031   6.047   0.542
   94   1HG1  ILE  14          2HG1      ILE  14   1.104   6.343   1.286
   95   2HG1  ILE  14          1HG1      ILE  14   1.997   7.492   0.290
   96   1HG2  ILE  14          2HG2      ILE  14   2.576   4.645   2.772
   97   2HG2  ILE  14          1HG2      ILE  14   2.484   4.017   1.126
   98   3HG2  ILE  14          3HG2      ILE  14   4.047   4.157   1.929
   99   1HD1  ILE  14          3HD1      ILE  14   1.811   4.550  -0.387
  100   2HD1  ILE  14          2HD1      ILE  14   0.659   5.742  -0.989
  101   3HD1  ILE  14          1HD1      ILE  14   2.363   5.864  -1.425
  102   1HN   HIP  15           HN       HIP  15   4.442   7.391   4.759
  103    HA   HIP  15           HA       HIP  15   7.145   6.357   4.096
  104   1HB   HIP  15          1HB       HIP  15   7.072   8.712   4.827
  105   2HB   HIP  15          2HB       HIP  15   7.993   7.720   5.935
  106    HD2  HIP  15          2HD       HIP  15   4.203   8.927   5.866
  107    HE2  HIP  15          2HE       HIP  15   3.635   9.544   8.325
  108    HE1  HIP  15          1HE       HIP  15   5.634   9.132   9.819
  109    H    ALA  16           HN       ALA  16   7.903   6.019   6.889
  110    HA   ALA  16           HA       ALA  16   7.267   3.310   7.243
  111   1HB   ALA  16          2HB       ALA  16   8.998   5.018   8.425
  112   2HB   ALA  16          1HB       ALA  16   7.818   4.826   9.721
  113   3HB   ALA  16          3HB       ALA  16   8.632   3.411   9.052
  114    H    ARG  17           HN       ARG  17   5.563   6.132   8.648
  115    HA   ARG  17           HA       ARG  17   3.986   4.709  10.526
  116   1HB   ARG  17          2HB       ARG  17   3.752   7.306   9.130
  117   2HB   ARG  17          1HB       ARG  17   2.249   6.649   9.768
  118   1HG   ARG  17          2HG       ARG  17   3.879   6.195  11.880
  119   2HG   ARG  17          1HG       ARG  17   4.652   7.633  11.212
  120   1HD   ARG  17          2HD       ARG  17   3.077   8.690  12.507
  121   2HD   ARG  17          1HD       ARG  17   2.085   8.432  11.072
  122    HE   ARG  17           HE       ARG  17   1.313   6.287  12.262
  123   1HH1  ARG  17          HH21      ARG  17   2.647   6.085  14.709
  124   2HH1  ARG  17          HH22      ARG  17   1.753   7.062  15.826
  125   1HH2  ARG  17          HH11      ARG  17   0.095   8.839  13.353
  126   2HH2  ARG  17          HH12      ARG  17   0.307   8.621  15.058
  127    HA   PRO  18           HA       PRO  18   0.568   4.016   7.265
  128   1HB   PRO  18          2HB       PRO  18   1.126   4.618   4.635
  129   2HB   PRO  18          1HB       PRO  18   0.328   5.733   5.759
  130   1HG   PRO  18          2HG       PRO  18   3.168   5.730   4.804
  131   2HG   PRO  18          1HG       PRO  18   2.136   7.099   5.251
  132   1HD   PRO  18          2HD       PRO  18   4.116   6.041   6.895
  133   2HD   PRO  18          1HD       PRO  18   2.725   6.979   7.471
  134    H    ALA  19           HN       ALA  19   3.913   3.346   6.702
  135    HA   ALA  19           HA       ALA  19   3.477   1.056   4.937
  136   1HB   ALA  19          2HB       ALA  19   5.811   2.349   6.273
  137   2HB   ALA  19          1HB       ALA  19   5.967   0.647   5.837
  138   3HB   ALA  19          3HB       ALA  19   5.616   1.847   4.594
  139    H    THR  20           HN       THR  20   3.586   1.668   8.375
  140    HA   THR  20           HA       THR  20   3.945  -1.149   9.097
  141    HB   THR  20           HB       THR  20   2.903   0.901  11.017
  142    HG1  THR  20           HG1      THR  20   4.630   2.072  10.869
  143   1HG2  THR  20          3HG2      THR  20   4.632  -1.543  11.050
  144   2HG2  THR  20          2HG2      THR  20   4.849  -0.333  12.315
  145   3HG2  THR  20          1HG2      THR  20   3.282  -1.114  12.100
  146    H    VAL  21           HN       VAL  21   1.317   1.122   8.598
  147    HA   VAL  21           HA       VAL  21  -0.736  -0.513   9.845
  148    HB   VAL  21           HB       VAL  21  -1.062   1.614   7.735
  149   1HG1  VAL  21          2HG1      VAL  21  -2.975  -0.014   8.479
  150   2HG1  VAL  21          1HG1      VAL  21  -2.995   0.969   9.943
  151   3HG1  VAL  21          3HG1      VAL  21  -3.310   1.715   8.376
  152   1HG2  VAL  21          2HG2      VAL  21   0.275   2.289   9.819
  153   2HG2  VAL  21          1HG2      VAL  21  -1.167   3.245   9.481
  154   3HG2  VAL  21          3HG2      VAL  21  -1.205   2.003  10.732
  155    H    LEU  22           HN       LEU  22   0.454  -0.007   6.572
  156    HA   LEU  22           HA       LEU  22  -1.475  -1.719   5.285
  157   1HB   LEU  22          2HB       LEU  22   1.248  -0.720   4.417
  158   2HB   LEU  22          1HB       LEU  22   0.094  -1.531   3.355
  159    HG   LEU  22           HG       LEU  22  -0.515   1.001   4.909
  160   1HD1  LEU  22          2HD1      LEU  22   0.712   0.498   2.235
  161   2HD1  LEU  22          1HD1      LEU  22  -0.513   1.766   2.320
  162   3HD1  LEU  22          3HD1      LEU  22   0.928   1.863   3.333
  163   1HD2  LEU  22          1HD2      LEU  22  -1.975  -0.653   2.837
  164   2HD2  LEU  22          3HD2      LEU  22  -2.548  -0.134   4.423
  165   3HD2  LEU  22          2HD2      LEU  22  -2.378   1.041   3.117
  166    H    VAL  23           HN       VAL  23   1.937  -2.193   6.267
  167    HA   VAL  23           HA       VAL  23   2.192  -4.855   5.298
  168    HB   VAL  23           HB       VAL  23   4.117  -3.480   6.037
  169   1HG1  VAL  23          1HG1      VAL  23   2.888  -2.532   8.041
  170   2HG1  VAL  23          3HG1      VAL  23   3.194  -4.062   8.861
  171   3HG1  VAL  23          2HG1      VAL  23   4.545  -3.045   8.358
  172   1HG2  VAL  23          2HG2      VAL  23   3.904  -6.151   6.210
  173   2HG2  VAL  23          1HG2      VAL  23   5.366  -5.300   6.706
  174   3HG2  VAL  23          3HG2      VAL  23   4.183  -5.800   7.915
  175    H    GLN  24           HN       GLN  24   0.688  -3.591   8.202
  176    HA   GLN  24           HA       GLN  24   0.548  -6.089   9.640
  177   1HB   GLN  24          2HB       GLN  24  -0.935  -3.469   9.825
  178   2HB   GLN  24          1HB       GLN  24  -1.400  -4.847  10.819
  179   1HG   GLN  24          2HG       GLN  24   1.477  -4.481  10.889
  180   2HG   GLN  24          1HG       GLN  24   0.656  -2.994  11.353
  181   1HE2  GLN  24          2HE2      GLN  24   0.735  -6.084  13.932
  182   2HE2  GLN  24          1HE2      GLN  24   1.626  -6.081  12.488
  183    H    THR  25           HN       THR  25  -1.731  -4.398   7.474
  184    HA   THR  25           HA       THR  25  -3.835  -6.348   7.738
  185    HB   THR  25           HB       THR  25  -3.382  -4.626   5.298
  186    HG1  THR  25           HG1      THR  25  -4.335  -2.959   6.442
  187   1HG2  THR  25          3HG2      THR  25  -5.820  -5.671   6.761
  188   2HG2  THR  25          2HG2      THR  25  -5.888  -4.531   5.417
  189   3HG2  THR  25          1HG2      THR  25  -5.254  -6.157   5.163
  190    H    ALA  26           HN       ALA  26  -1.649  -5.763   4.956
  191    HA   ALA  26           HA       ALA  26  -2.303  -8.111   3.524
  192   1HB   ALA  26          2HB       ALA  26   0.165  -6.383   3.608
  193   2HB   ALA  26          1HB       ALA  26   0.087  -7.809   2.574
  194   3HB   ALA  26          3HB       ALA  26  -1.060  -6.489   2.344
  195    H    SER  27           HN       SER  27  -0.294  -7.718   6.354
  196    HA   SER  27           HA       SER  27   1.351 -10.030   6.125
  197   1HB   SER  27          2HB       SER  27   1.862  -8.497   7.875
  198   2HB   SER  27          1HB       SER  27   0.221  -8.556   8.511
  199    HG   SER  27           HG       SER  27   0.654 -10.408   9.471
  200    H    LYS  28           HN       LYS  28  -1.941  -9.637   7.409
  201    HA   LYS  28           HA       LYS  28  -2.245 -12.346   8.313
  202   1HB   LYS  28          2HB       LYS  28  -4.115 -10.091   7.664
  203   2HB   LYS  28          1HB       LYS  28  -4.777 -11.711   7.885
  204   1HG   LYS  28          2HG       LYS  28  -4.732 -11.334  10.109
  205   2HG   LYS  28          1HG       LYS  28  -2.974 -11.397  10.014
  206   1HD   LYS  28          2HD       LYS  28  -3.112  -9.277  10.851
  207   2HD   LYS  28          1HD       LYS  28  -3.410  -8.851   9.165
  208   1HE   LYS  28          2HE       LYS  28  -5.923  -9.511   9.902
  209   2HE   LYS  28          1HE       LYS  28  -5.303  -8.949  11.455
  210   1HZ   LYS  28          1HZ       LYS  28  -5.034  -7.407   8.937
  211   2HZ   LYS  28          3HZ       LYS  28  -6.317  -7.194  10.025
  212   3HZ   LYS  28          2HZ       LYS  28  -4.723  -6.869  10.519
  213    H    TYR  29           HN       TYR  29  -2.502 -10.839   5.160
  214    HA   TYR  29           HA       TYR  29  -3.837 -13.204   4.003
  215   1HB   TYR  29          2HB       TYR  29  -2.837 -10.629   2.740
  216   2HB   TYR  29          1HB       TYR  29  -3.692 -11.907   1.873
  217    HD1  TYR  29          2HD       TYR  29  -6.006 -12.607   2.703
  218    HD2  TYR  29          1HD       TYR  29  -4.041  -9.011   3.992
  219    HE1  TYR  29          2HE       TYR  29  -8.178 -11.701   3.483
  220    HE2  TYR  29          1HE       TYR  29  -6.213  -8.106   4.775
  221    HH   TYR  29           HH       TYR  29  -8.835  -9.876   5.361
  222    H    ASP  30           HN       ASP  30  -2.744 -14.862   3.115
  223    HA   ASP  30           HA       ASP  30   0.146 -14.951   3.185
  224   1HB   ASP  30          2HB       ASP  30  -1.798 -16.838   1.822
  225   2HB   ASP  30          1HB       ASP  30  -0.112 -17.183   2.211
  226    H    ALA  31           HN       ALA  31  -2.176 -13.989   0.775
  227    HA   ALA  31           HA       ALA  31  -0.727 -14.490  -1.608
  228   1HB   ALA  31          2HB       ALA  31  -3.086 -13.653  -1.493
  229   2HB   ALA  31          1HB       ALA  31  -2.461 -12.073  -1.019
  230   3HB   ALA  31          3HB       ALA  31  -2.079 -12.731  -2.610
  231    H    ASP  32           HN       ASP  32   0.755 -13.193  -2.789
  232    HA   ASP  32           HA       ASP  32   2.455 -11.474  -1.096
  233   1HB   ASP  32          2HB       ASP  32   2.759 -12.602  -3.889
  234   2HB   ASP  32          1HB       ASP  32   3.916 -11.470  -3.185
  235    H    VAL  33           HN       VAL  33   1.212  -9.571  -0.896
  236    HA   VAL  33           HA       VAL  33   0.358  -8.186  -3.370
  237    HB   VAL  33           HB       VAL  33  -0.701  -6.572  -1.807
  238   1HG1  VAL  33          1HG1      VAL  33  -1.378  -9.321  -2.178
  239   2HG1  VAL  33          3HG1      VAL  33  -1.773  -8.906  -0.508
  240   3HG1  VAL  33          2HG1      VAL  33  -2.462  -7.974  -1.838
  241   1HG2  VAL  33          3HG2      VAL  33   1.123  -7.832   0.056
  242   2HG2  VAL  33          2HG2      VAL  33   0.144  -6.384   0.276
  243   3HG2  VAL  33          1HG2      VAL  33  -0.529  -7.969   0.655
  244    H    ASN  34           HN       ASN  34   2.127  -7.283  -4.350
  245    HA   ASN  34           HA       ASN  34   4.060  -5.770  -2.658
  246   1HB   ASN  34          2HB       ASN  34   4.258  -6.693  -5.541
  247   2HB   ASN  34          1HB       ASN  34   5.523  -5.840  -4.656
  248   1HD2  ASN  34          2HD2      ASN  34   6.778  -8.980  -3.653
  249   2HD2  ASN  34          1HD2      ASN  34   7.086  -7.500  -4.426
  250    H    LEU  35           HN       LEU  35   4.297  -3.580  -2.887
  251    HA   LEU  35           HA       LEU  35   2.299  -2.163  -4.545
  252   1HB   LEU  35          2HB       LEU  35   2.786  -1.566  -2.120
  253   2HB   LEU  35          1HB       LEU  35   4.354  -0.973  -2.665
  254    HG   LEU  35           HG       LEU  35   2.003   0.001  -4.194
  255   1HD1  LEU  35          2HD1      LEU  35   2.372   0.445  -1.267
  256   2HD1  LEU  35          1HD1      LEU  35   1.938   1.844  -2.247
  257   3HD1  LEU  35          3HD1      LEU  35   0.889   0.426  -2.222
  258   1HD2  LEU  35          1HD2      LEU  35   4.706   0.900  -3.332
  259   2HD2  LEU  35          3HD2      LEU  35   3.895   1.108  -4.884
  260   3HD2  LEU  35          2HD2      LEU  35   3.490   2.162  -3.528
  261    H    GLU  36           HN       GLU  36   2.928  -0.578  -6.124
  262    HA   GLU  36           HA       GLU  36   5.765  -0.831  -7.052
  263   1HB   GLU  36          2HB       GLU  36   3.941  -1.897  -8.512
  264   2HB   GLU  36          1HB       GLU  36   3.405  -0.250  -8.850
  265   1HG   GLU  36          2HG       GLU  36   5.287   0.261 -10.079
  266   2HG   GLU  36          1HG       GLU  36   6.314  -0.839  -9.158
  267    H    TYR  37           HN       TYR  37   6.851   1.078  -7.388
  268    HA   TYR  37           HA       TYR  37   5.424   3.593  -7.833
  269   1HB   TYR  37          2HB       TYR  37   5.268   3.267  -5.351
  270   2HB   TYR  37          1HB       TYR  37   7.030   3.257  -5.283
  271    HD1  TYR  37          1HD       TYR  37   4.249   5.325  -6.736
  272    HD2  TYR  37          2HD       TYR  37   8.111   5.274  -4.855
  273    HE1  TYR  37          1HE       TYR  37   4.265   7.806  -6.700
  274    HE2  TYR  37          2HE       TYR  37   8.127   7.753  -4.819
  275    HH   TYR  37           HH       TYR  37   5.855   9.605  -4.890
  276    H    ASN  38           HN       ASN  38   6.691   4.762  -9.171
  277    HA   ASN  38           HA       ASN  38   8.583   5.601 -10.261
  278   1HB   ASN  38          2HB       ASN  38   9.196   5.889  -7.696
  279   2HB   ASN  38          1HB       ASN  38  10.377   4.633  -8.070
  280   1HD2  ASN  38          2HD2      ASN  38  11.718   8.129  -8.842
  281   2HD2  ASN  38          1HD2      ASN  38  10.908   7.523  -7.479
  282    H    GLY  39           HN       GLY  39   7.810   2.614 -10.345
  283   1HA   GLY  39          2HA       GLY  39   8.625   0.990 -11.888
  284   2HA   GLY  39          1HA       GLY  39  10.184   1.804 -11.876
  285    H    LYS  40           HN       LYS  40   9.880   1.724  -8.745
  286    HA   LYS  40           HA       LYS  40  11.257  -0.871  -8.481
  287   1HB   LYS  40          2HB       LYS  40  10.707   1.257  -6.388
  288   2HB   LYS  40          1HB       LYS  40  11.816  -0.105  -6.229
  289   1HG   LYS  40          2HG       LYS  40  12.755   0.989  -8.524
  290   2HG   LYS  40          1HG       LYS  40  12.145   2.438  -7.725
  291   1HD   LYS  40          2HD       LYS  40  14.007   0.431  -6.423
  292   2HD   LYS  40          1HD       LYS  40  14.536   1.941  -7.165
  293   1HE   LYS  40          2HE       LYS  40  12.773   3.054  -5.600
  294   2HE   LYS  40          1HE       LYS  40  12.857   1.541  -4.697
  295   1HZ   LYS  40          3HZ       LYS  40  15.398   1.946  -4.878
  296   2HZ   LYS  40          2HZ       LYS  40  14.943   3.563  -5.134
  297   3HZ   LYS  40          1HZ       LYS  40  14.496   2.768  -3.701
  298    H    THR  41           HN       THR  41  10.161  -2.666  -7.888
  299    HA   THR  41           HA       THR  41   7.482  -2.331  -6.619
  300    HB   THR  41           HB       THR  41   8.645  -4.798  -7.941
  301    HG1  THR  41           HG1      THR  41   8.252  -3.752  -9.702
  302   1HG2  THR  41          1HG2      THR  41   6.621  -4.756  -6.211
  303   2HG2  THR  41          3HG2      THR  41   5.728  -4.227  -7.637
  304   3HG2  THR  41          2HG2      THR  41   6.573  -5.776  -7.650
  305    H    VAL  42           HN       VAL  42   7.814  -2.321  -4.429
  306    HA   VAL  42           HA       VAL  42   9.599  -4.420  -3.273
  307    HB   VAL  42           HB       VAL  42   9.092  -3.027  -1.095
  308   1HG1  VAL  42          3HG1      VAL  42  11.207  -3.198  -2.795
  309   2HG1  VAL  42          2HG1      VAL  42  10.880  -1.466  -2.850
  310   3HG1  VAL  42          1HG1      VAL  42  11.206  -2.256  -1.305
  311   1HG2  VAL  42          3HG2      VAL  42   7.407  -1.549  -2.192
  312   2HG2  VAL  42          2HG2      VAL  42   8.755  -0.639  -1.509
  313   3HG2  VAL  42          1HG2      VAL  42   8.674  -0.926  -3.247
  314    H    ASN  43           HN       ASN  43   8.792  -5.824  -1.683
  315    HA   ASN  43           HA       ASN  43   6.008  -6.542  -1.904
  316   1HB   ASN  43          2HB       ASN  43   8.009  -8.037  -1.228
  317   2HB   ASN  43          1HB       ASN  43   7.828  -7.329   0.378
  318   1HD2  ASN  43          2HD2      ASN  43   5.660 -10.457  -0.109
  319   2HD2  ASN  43          1HD2      ASN  43   7.278 -10.165  -0.532
  320    H    LEU  44           HN       LEU  44   4.297  -6.072  -0.450
  321    HA   LEU  44           HA       LEU  44   4.476  -3.610   0.995
  322   1HB   LEU  44          2HB       LEU  44   2.343  -4.652   0.122
  323   2HB   LEU  44          1HB       LEU  44   2.412  -5.752   1.503
  324    HG   LEU  44           HG       LEU  44   2.778  -3.494   2.845
  325   1HD1  LEU  44          1HD1      LEU  44   1.398  -2.631   0.312
  326   2HD1  LEU  44          3HD1      LEU  44   1.340  -1.703   1.815
  327   3HD1  LEU  44          2HD1      LEU  44   2.888  -1.991   1.013
  328   1HD2  LEU  44          1HD2      LEU  44   0.387  -4.977   1.991
  329   2HD2  LEU  44          3HD2      LEU  44   0.942  -4.541   3.608
  330   3HD2  LEU  44          2HD2      LEU  44   0.074  -3.362   2.624
  331    H    LYS  45           HN       LYS  45   5.484  -6.780   1.870
  332    HA   LYS  45           HA       LYS  45   5.281  -6.247   4.761
  333   1HB   LYS  45          2HB       LYS  45   6.634  -8.531   3.285
  334   2HB   LYS  45          1HB       LYS  45   6.294  -8.466   5.014
  335   1HG   LYS  45          2HG       LYS  45   4.078  -8.946   4.732
  336   2HG   LYS  45          1HG       LYS  45   3.960  -8.007   3.244
  337   1HD   LYS  45          2HD       LYS  45   5.231  -9.820   2.066
  338   2HD   LYS  45          1HD       LYS  45   5.156 -10.776   3.547
  339   1HE   LYS  45          2HE       LYS  45   2.574  -9.665   2.589
  340   2HE   LYS  45          1HE       LYS  45   3.287 -10.936   1.594
  341   1HZ   LYS  45          1HZ       LYS  45   3.590 -12.169   3.784
  342   2HZ   LYS  45          3HZ       LYS  45   2.493 -11.052   4.438
  343   3HZ   LYS  45          2HZ       LYS  45   2.013 -12.064   3.160
  344    H    SER  46           HN       SER  46   6.706  -4.225   3.556
  345    HA   SER  46           HA       SER  46   9.403  -4.650   4.688
  346   1HB   SER  46          2HB       SER  46   9.517  -5.302   2.240
  347   2HB   SER  46          1HB       SER  46   9.078  -3.643   1.838
  348    HG   SER  46           HG       SER  46  11.380  -4.624   3.157
  349    H    ILE  47           HN       ILE  47   8.545  -3.108   6.217
  350    HA   ILE  47           HA       ILE  47   7.528  -0.537   5.472
  351    HB   ILE  47           HB       ILE  47   8.988  -1.276   8.023
  352   1HG1  ILE  47          2HG1      ILE  47   6.069  -1.561   7.213
  353   2HG1  ILE  47          1HG1      ILE  47   7.179  -2.867   7.604
  354   1HG2  ILE  47          3HG2      ILE  47   8.461   1.189   7.376
  355   2HG2  ILE  47          2HG2      ILE  47   6.777   0.749   7.662
  356   3HG2  ILE  47          1HG2      ILE  47   7.953   0.628   8.970
  357   1HD1  ILE  47          2HD1      ILE  47   7.442  -1.599   9.891
  358   2HD1  ILE  47          1HD1      ILE  47   5.894  -0.879   9.447
  359   3HD1  ILE  47          3HD1      ILE  47   6.035  -2.629   9.621
  360    H    MET  48           HN       MET  48  10.798  -1.727   6.126
  361    HA   MET  48           HA       MET  48  12.045   0.890   5.923
  362   1HB   MET  48          2HB       MET  48  13.062  -1.052   7.143
  363   2HB   MET  48          1HB       MET  48  13.314  -1.844   5.588
  364   1HG   MET  48          2HG       MET  48  14.551   0.319   4.904
  365   2HG   MET  48          1HG       MET  48  14.583   0.689   6.627
  366   1HE   MET  48          1HE       MET  48  15.505  -0.379   8.311
  367   2HE   MET  48          3HE       MET  48  16.860  -1.517   8.302
  368   3HE   MET  48          2HE       MET  48  17.087   0.133   7.728
  369    H    GLY  49           HN       GLY  49  11.222  -1.691   3.686
  370   1HA   GLY  49          2HA       GLY  49  12.868  -0.859   1.490
  371   2HA   GLY  49          1HA       GLY  49  11.399  -1.826   1.349
  372    H    VAL  50           HN       VAL  50   9.651   0.122   2.591
  373    HA   VAL  50           HA       VAL  50   9.004   1.713   0.275
  374    HB   VAL  50           HB       VAL  50   8.012   2.031   3.126
  375   1HG1  VAL  50          2HG1      VAL  50   7.036   2.991   0.431
  376   2HG1  VAL  50          1HG1      VAL  50   5.959   2.872   1.822
  377   3HG1  VAL  50          3HG1      VAL  50   7.357   3.947   1.878
  378   1HG2  VAL  50          2HG2      VAL  50   7.781  -0.284   2.045
  379   2HG2  VAL  50          1HG2      VAL  50   6.283   0.474   2.587
  380   3HG2  VAL  50          3HG2      VAL  50   6.708   0.485   0.875
  381    H    VAL  51           HN       VAL  51  10.873   2.295   3.187
  382    HA   VAL  51           HA       VAL  51  10.929   5.161   3.056
  383    HB   VAL  51           HB       VAL  51  13.084   3.311   4.122
  384   1HG1  VAL  51          2HG1      VAL  51  12.398   6.225   4.481
  385   2HG1  VAL  51          1HG1      VAL  51  13.288   5.348   5.725
  386   3HG1  VAL  51          3HG1      VAL  51  13.959   5.499   4.101
  387   1HG2  VAL  51          3HG2      VAL  51  10.480   4.295   5.299
  388   2HG2  VAL  51          2HG2      VAL  51  11.087   2.641   5.220
  389   3HG2  VAL  51          1HG2      VAL  51  11.828   3.800   6.324
  390    H    SER  52           HN       SER  52  12.839   2.635   1.491
  391    HA   SER  52           HA       SER  52  14.918   4.305   0.456
  392   1HB   SER  52          2HB       SER  52  15.388   2.483  -1.064
  393   2HB   SER  52          1HB       SER  52  14.924   1.782   0.484
  394    HG   SER  52           HG       SER  52  13.532   0.750  -0.721
  395    H    LEU  53           HN       LEU  53  11.646   3.620  -0.642
  396    HA   LEU  53           HA       LEU  53  11.949   4.771  -3.276
  397   1HB   LEU  53          2HB       LEU  53   9.615   4.037  -1.527
  398   2HB   LEU  53          1HB       LEU  53   9.348   4.980  -2.993
  399    HG   LEU  53           HG       LEU  53  10.576   3.229  -4.289
  400   1HD1  LEU  53          1HD1      LEU  53  10.770   2.061  -1.535
  401   2HD1  LEU  53          3HD1      LEU  53  10.624   0.966  -2.911
  402   3HD1  LEU  53          2HD1      LEU  53  11.975   2.096  -2.822
  403   1HD2  LEU  53          3HD2      LEU  53   7.974   3.258  -3.526
  404   2HD2  LEU  53          2HD2      LEU  53   8.649   2.020  -4.587
  405   3HD2  LEU  53          1HD2      LEU  53   8.463   1.697  -2.863
  406    H    GLY  54           HN       GLY  54  10.534   6.022  -0.237
  407   1HA   GLY  54          2HA       GLY  54  10.495   8.238   0.568
  408   2HA   GLY  54          1HA       GLY  54  11.501   8.708  -0.803
  409    H    ILE  55           HN       ILE  55   8.187   7.413  -0.352
  410    HA   ILE  55           HA       ILE  55   7.181   8.825  -2.677
  411    HB   ILE  55           HB       ILE  55   5.618   7.616  -0.375
  412   1HG1  ILE  55          2HG1      ILE  55   6.300   6.298  -3.010
  413   2HG1  ILE  55          1HG1      ILE  55   7.312   6.101  -1.580
  414   1HG2  ILE  55          1HG2      ILE  55   4.947   8.586  -3.141
  415   2HG2  ILE  55          3HG2      ILE  55   4.006   7.280  -2.421
  416   3HG2  ILE  55          2HG2      ILE  55   4.080   8.854  -1.629
  417   1HD1  ILE  55          2HD1      ILE  55   4.345   5.597  -1.441
  418   2HD1  ILE  55          1HD1      ILE  55   5.445   4.343  -2.012
  419   3HD1  ILE  55          3HD1      ILE  55   5.618   4.991  -0.381
  420    H    ALA  56           HN       ALA  56   5.435  10.480  -2.530
  421    HA   ALA  56           HA       ALA  56   5.500  12.114  -0.048
  422   1HB   ALA  56          1HB       ALA  56   7.139  12.770  -2.124
  423   2HB   ALA  56          3HB       ALA  56   5.682  13.661  -2.567
  424   3HB   ALA  56          2HB       ALA  56   6.453  13.952  -1.008
  425    H    LYS  57           HN       LYS  57   3.871  14.047  -0.411
  426    HA   LYS  57           HA       LYS  57   1.288  12.932  -0.874
  427   1HB   LYS  57          2HB       LYS  57   0.472  15.267  -0.726
  428   2HB   LYS  57          1HB       LYS  57   1.628  14.905   0.554
  429   1HG   LYS  57          2HG       LYS  57   3.429  15.896  -0.950
  430   2HG   LYS  57          1HG       LYS  57   2.125  16.467  -1.992
  431   1HD   LYS  57          2HD       LYS  57   2.298  17.096   0.967
  432   2HD   LYS  57          1HD       LYS  57   2.915  18.164  -0.297
  433   1HE   LYS  57          2HE       LYS  57   0.555  17.993  -1.331
  434   2HE   LYS  57          1HE       LYS  57   0.059  17.344   0.232
  435   1HZ   LYS  57          1HZ       LYS  57   1.295  19.412   1.136
  436   2HZ   LYS  57          3HZ       LYS  57   1.070  20.026  -0.428
  437   3HZ   LYS  57          2HZ       LYS  57  -0.275  19.585   0.511
  438    H    GLY  58           HN       GLY  58  -0.215  13.349  -2.604
  439   1HA   GLY  58          2HA       GLY  58  -0.833  13.568  -4.857
  440   2HA   GLY  58          1HA       GLY  58   0.437  14.785  -4.990
  441    H    ALA  59           HN       ALA  59   0.179  11.229  -4.628
  442    HA   ALA  59           HA       ALA  59   2.172  10.966  -6.832
  443   1HB   ALA  59          3HB       ALA  59   2.302   9.786  -4.065
  444   2HB   ALA  59          2HB       ALA  59   3.053   8.950  -5.425
  445   3HB   ALA  59          1HB       ALA  59   3.577  10.578  -4.991
  446    H    GLU  60           HN       GLU  60   2.230   8.556  -7.547
  447    HA   GLU  60           HA       GLU  60  -0.530   7.410  -7.377
  448   1HB   GLU  60          2HB       GLU  60   1.302   7.695  -9.770
  449   2HB   GLU  60          1HB       GLU  60  -0.071   6.587  -9.753
  450   1HG   GLU  60          2HG       GLU  60  -1.345   8.771  -8.890
  451   2HG   GLU  60          1HG       GLU  60  -0.045   9.574  -9.772
  452    H    ILE  61           HN       ILE  61  -0.573   5.310  -6.732
  453    HA   ILE  61           HA       ILE  61   1.945   3.713  -6.953
  454    HB   ILE  61           HB       ILE  61   1.294   2.661  -4.758
  455   1HG1  ILE  61          2HG1      ILE  61  -0.647   4.997  -4.656
  456   2HG1  ILE  61          1HG1      ILE  61  -1.114   3.312  -4.875
  457   1HG2  ILE  61          2HG2      ILE  61   2.867   4.722  -5.143
  458   2HG2  ILE  61          1HG2      ILE  61   1.569   5.634  -4.373
  459   3HG2  ILE  61          3HG2      ILE  61   2.366   4.324  -3.501
  460   1HD1  ILE  61          3HD1      ILE  61   0.479   3.145  -2.648
  461   2HD1  ILE  61          2HD1      ILE  61  -0.270   4.727  -2.427
  462   3HD1  ILE  61          1HD1      ILE  61  -1.278   3.291  -2.605
  463    H    THR  62           HN       THR  62   1.609   1.428  -7.243
  464    HA   THR  62           HA       THR  62  -1.197   0.644  -7.912
  465    HB   THR  62           HB       THR  62   1.096  -0.426  -9.521
  466    HG1  THR  62           HG1      THR  62  -0.239   2.035  -9.972
  467   1HG2  THR  62          3HG2      THR  62  -1.526  -1.002  -9.519
  468   2HG2  THR  62          2HG2      THR  62  -1.548   0.360 -10.639
  469   3HG2  THR  62          1HG2      THR  62  -0.554  -1.054 -10.989
  470    H    ILE  63           HN       ILE  63  -1.657  -0.870  -6.386
  471    HA   ILE  63           HA       ILE  63   0.465  -2.723  -5.466
  472    HB   ILE  63           HB       ILE  63  -2.394  -2.319  -4.521
  473   1HG1  ILE  63          2HG1      ILE  63   0.245  -1.518  -3.256
  474   2HG1  ILE  63          1HG1      ILE  63  -0.818  -0.414  -4.129
  475   1HG2  ILE  63          2HG2      ILE  63  -0.159  -4.131  -3.612
  476   2HG2  ILE  63          1HG2      ILE  63  -1.396  -3.585  -2.480
  477   3HG2  ILE  63          3HG2      ILE  63  -1.854  -4.529  -3.897
  478   1HD1  ILE  63          2HD1      ILE  63  -2.652  -0.999  -2.522
  479   2HD1  ILE  63          1HD1      ILE  63  -1.486  -1.953  -1.605
  480   3HD1  ILE  63          3HD1      ILE  63  -1.275  -0.208  -1.752
  481    H    SER  64           HN       SER  64   0.082  -5.049  -5.496
  482    HA   SER  64           HA       SER  64  -2.086  -6.041  -7.240
  483   1HB   SER  64          2HB       SER  64  -0.289  -7.372  -8.544
  484   2HB   SER  64          1HB       SER  64  -0.499  -5.672  -8.951
  485    HG   SER  64           HG       SER  64   1.268  -5.199  -7.614
  486    H    ALA  65           HN       ALA  65  -2.918  -7.576  -5.917
  487    HA   ALA  65           HA       ALA  65  -1.151  -9.156  -4.148
  488   1HB   ALA  65          2HB       ALA  65  -3.491  -8.183  -3.536
  489   2HB   ALA  65          1HB       ALA  65  -4.125  -9.549  -4.451
  490   3HB   ALA  65          3HB       ALA  65  -3.116  -9.831  -3.034
  491    H    SER  66           HN       SER  66  -0.520 -11.229  -4.635
  492    HA   SER  66           HA       SER  66  -2.019 -12.729  -6.721
  493   1HB   SER  66          2HB       SER  66   0.530 -11.495  -7.125
  494   2HB   SER  66          1HB       SER  66   0.767 -13.239  -7.118
  495    HG   SER  66           HG       SER  66  -1.053 -13.309  -8.607
  496    H    GLY  67           HN       GLY  67  -2.669 -14.455  -5.509
  497   1HA   GLY  67          2HA       GLY  67  -0.888 -16.493  -4.700
  498   2HA   GLY  67          1HA       GLY  67  -1.236 -15.523  -3.268
  499    H    ALA  68           HN       ALA  68  -2.672 -16.728  -2.102
  500    HA   ALA  68           HA       ALA  68  -4.818 -18.222  -3.474
  501   1HB   ALA  68          1HB       ALA  68  -3.665 -18.142  -0.724
  502   2HB   ALA  68          3HB       ALA  68  -5.359 -18.612  -0.872
  503   3HB   ALA  68          2HB       ALA  68  -4.111 -19.531  -1.714
  504    H    ASP  69           HN       ASP  69  -4.738 -15.929  -0.721
  505    HA   ASP  69           HA       ASP  69  -7.494 -15.078  -1.443
  506   1HB   ASP  69          2HB       ASP  69  -7.414 -13.922   0.792
  507   2HB   ASP  69          1HB       ASP  69  -7.199 -15.668   0.893
  508    H    GLU  70           HN       GLU  70  -5.522 -14.229  -3.218
  509    HA   GLU  70           HA       GLU  70  -4.358 -11.692  -2.638
  510   1HB   GLU  70          2HB       GLU  70  -4.257 -11.424  -5.118
  511   2HB   GLU  70          1HB       GLU  70  -3.659 -12.993  -4.582
  512   1HG   GLU  70          2HG       GLU  70  -5.757 -14.059  -5.173
  513   2HG   GLU  70          1HG       GLU  70  -6.492 -12.499  -5.543
  514    H    ASN  71           HN       ASN  71  -7.593 -12.600  -3.681
  515    HA   ASN  71           HA       ASN  71  -8.438  -9.929  -4.409
  516   1HB   ASN  71          2HB       ASN  71  -9.830 -12.530  -3.840
  517   2HB   ASN  71          1HB       ASN  71 -10.776 -11.046  -3.957
  518   1HD2  ASN  71          2HD2      ASN  71  -9.556 -12.816  -7.333
  519   2HD2  ASN  71          1HD2      ASN  71  -9.507 -13.569  -5.813
  520    H    ASP  72           HN       ASP  72  -8.526 -11.836  -1.428
  521    HA   ASP  72           HA       ASP  72 -10.092  -9.851   0.027
  522   1HB   ASP  72          2HB       ASP  72  -8.497 -12.259   0.937
  523   2HB   ASP  72          1HB       ASP  72  -9.460 -11.254   2.020
  524    H    ALA  73           HN       ALA  73  -6.727 -10.264  -0.718
  525    HA   ALA  73           HA       ALA  73  -5.781  -8.696   1.566
  526   1HB   ALA  73          1HB       ALA  73  -4.423  -9.699  -0.945
  527   2HB   ALA  73          3HB       ALA  73  -3.599  -8.742   0.287
  528   3HB   ALA  73          2HB       ALA  73  -4.253 -10.330   0.694
  529    H    LEU  74           HN       LEU  74  -6.208  -8.132  -1.943
  530    HA   LEU  74           HA       LEU  74  -5.235  -5.437  -1.876
  531   1HB   LEU  74          2HB       LEU  74  -6.236  -5.191  -4.089
  532   2HB   LEU  74          1HB       LEU  74  -5.440  -6.754  -3.963
  533    HG   LEU  74           HG       LEU  74  -7.856  -7.543  -3.190
  534   1HD1  LEU  74          3HD1      LEU  74  -8.372  -4.865  -3.770
  535   2HD1  LEU  74          2HD1      LEU  74  -8.915  -5.707  -5.220
  536   3HD1  LEU  74          1HD1      LEU  74  -9.581  -6.142  -3.648
  537   1HD2  LEU  74          3HD2      LEU  74  -6.660  -7.137  -5.901
  538   2HD2  LEU  74          2HD2      LEU  74  -7.031  -8.638  -5.054
  539   3HD2  LEU  74          1HD2      LEU  74  -8.326  -7.709  -5.808
  540    H    ASN  75           HN       ASN  75  -8.529  -6.765  -1.555
  541    HA   ASN  75           HA       ASN  75  -9.702  -4.105  -1.314
  542   1HB   ASN  75          2HB       ASN  75 -11.784  -5.311  -0.736
  543   2HB   ASN  75          1HB       ASN  75 -11.049  -5.955  -2.202
  544   1HD2  ASN  75          2HD2      ASN  75 -11.853  -8.960  -0.273
  545   2HD2  ASN  75          1HD2      ASN  75 -12.646  -7.795  -1.219
  546    H    ALA  76           HN       ALA  76  -8.155  -6.329   0.846
  547    HA   ALA  76           HA       ALA  76  -9.412  -5.448   3.291
  548   1HB   ALA  76          2HB       ALA  76  -6.766  -6.787   2.683
  549   2HB   ALA  76          1HB       ALA  76  -7.262  -6.378   4.325
  550   3HB   ALA  76          3HB       ALA  76  -8.214  -7.518   3.374
  551    H    LEU  77           HN       LEU  77  -6.204  -4.698   1.863
  552    HA   LEU  77           HA       LEU  77  -5.633  -2.544   3.658
  553   1HB   LEU  77          2HB       LEU  77  -4.637  -2.869   0.817
  554   2HB   LEU  77          1HB       LEU  77  -3.867  -1.948   2.107
  555    HG   LEU  77           HG       LEU  77  -4.351  -4.651   3.020
  556   1HD1  LEU  77          1HD1      LEU  77  -4.094  -4.766   0.351
  557   2HD1  LEU  77          3HD1      LEU  77  -2.386  -4.702   0.785
  558   3HD1  LEU  77          2HD1      LEU  77  -3.409  -5.993   1.417
  559   1HD2  LEU  77          2HD2      LEU  77  -1.881  -2.982   2.471
  560   2HD2  LEU  77          1HD2      LEU  77  -2.673  -3.245   4.024
  561   3HD2  LEU  77          3HD2      LEU  77  -1.824  -4.572   3.232
  562    H    GLU  78           HN       GLU  78  -7.463  -2.726   0.653
  563    HA   GLU  78           HA       GLU  78  -7.555   0.047   0.007
  564   1HB   GLU  78          2HB       GLU  78  -8.375  -1.764  -1.483
  565   2HB   GLU  78          1HB       GLU  78  -9.724  -2.040  -0.384
  566   1HG   GLU  78          2HG       GLU  78  -9.455   0.779  -1.152
  567   2HG   GLU  78          1HG       GLU  78  -9.723  -0.280  -2.535
  568    H    GLU  79           HN       GLU  79  -9.932  -1.871   1.905
  569    HA   GLU  79           HA       GLU  79 -11.559   0.343   2.650
  570   1HB   GLU  79          2HB       GLU  79 -12.361  -1.132   4.491
  571   2HB   GLU  79          1HB       GLU  79 -12.329  -1.958   2.934
  572   1HG   GLU  79          2HG       GLU  79 -10.427  -3.216   3.493
  573   2HG   GLU  79          1HG       GLU  79  -9.959  -2.108   4.784
  574    H    THR  80           HN       THR  80  -8.494  -0.789   3.909
  575    HA   THR  80           HA       THR  80  -8.619   0.633   6.428
  576    HB   THR  80           HB       THR  80  -6.164  -0.166   4.831
  577    HG1  THR  80           HG1      THR  80  -6.974  -2.073   5.205
  578   1HG2  THR  80          2HG2      THR  80  -6.673   0.690   7.670
  579   2HG2  THR  80          1HG2      THR  80  -5.305  -0.354   7.285
  580   3HG2  THR  80          3HG2      THR  80  -5.427   1.245   6.553
  581    H    MET  81           HN       MET  81  -7.547   1.403   3.166
  582    HA   MET  81           HA       MET  81  -6.373   3.968   3.814
  583   1HB   MET  81          2HB       MET  81  -7.331   2.670   1.257
  584   2HB   MET  81          1HB       MET  81  -6.703   4.316   1.280
  585   1HG   MET  81          2HG       MET  81  -5.035   2.324   2.700
  586   2HG   MET  81          1HG       MET  81  -5.148   2.088   0.958
  587   1HE   MET  81          1HE       MET  81  -4.074   3.057  -0.629
  588   2HE   MET  81          3HE       MET  81  -4.891   4.624  -0.702
  589   3HE   MET  81          2HE       MET  81  -3.132   4.545  -0.673
  590    H    LYS  82           HN       LYS  82  -9.593   2.820   3.014
  591    HA   LYS  82           HA       LYS  82 -10.676   5.520   2.643
  592   1HB   LYS  82          2HB       LYS  82 -12.108   2.860   2.929
  593   2HB   LYS  82          1HB       LYS  82 -12.818   4.369   2.351
  594   1HG   LYS  82          2HG       LYS  82 -10.435   3.060   1.022
  595   2HG   LYS  82          1HG       LYS  82 -12.099   2.747   0.529
  596   1HD   LYS  82          2HD       LYS  82 -10.864   5.513   0.658
  597   2HD   LYS  82          1HD       LYS  82 -10.976   4.550  -0.815
  598   1HE   LYS  82          2HE       LYS  82 -13.510   4.377  -0.232
  599   2HE   LYS  82          1HE       LYS  82 -13.198   5.763   0.814
  600   1HZ   LYS  82          1HZ       LYS  82 -12.443   5.681  -2.051
  601   2HZ   LYS  82          3HZ       LYS  82 -13.913   6.320  -1.495
  602   3HZ   LYS  82          2HZ       LYS  82 -12.445   7.030  -1.019
  603    H    SER  83           HN       SER  83 -10.138   3.368   5.308
  604    HA   SER  83           HA       SER  83 -12.262   4.383   7.006
  605   1HB   SER  83          2HB       SER  83 -11.009   3.219   8.817
  606   2HB   SER  83          1HB       SER  83 -11.289   2.178   7.424
  607    HG   SER  83           HG       SER  83  -9.046   2.440   8.456
  608    H    GLU  84           HN       GLU  84  -8.714   4.900   6.961
  609    HA   GLU  84           HA       GLU  84  -8.994   7.173   8.811
  610   1HB   GLU  84          2HB       GLU  84  -6.722   5.652   7.592
  611   2HB   GLU  84          1HB       GLU  84  -6.417   7.296   8.158
  612   1HG   GLU  84          2HG       GLU  84  -7.646   6.518  10.325
  613   2HG   GLU  84          1HG       GLU  84  -7.301   4.890   9.738
  614    H    GLY  85           HN       GLY  85  -8.605   6.609   5.374
  615   1HA   GLY  85          2HA       GLY  85  -9.075   8.207   3.661
  616   2HA   GLY  85          1HA       GLY  85  -9.025   9.487   4.875
  617    H    LEU  86           HN       LEU  86  -6.655   6.970   3.991
  618    HA   LEU  86           HA       LEU  86  -4.486   8.930   4.109
  619   1HB   LEU  86          2HB       LEU  86  -4.546   5.990   3.393
  620   2HB   LEU  86          1HB       LEU  86  -3.071   6.953   3.483
  621    HG   LEU  86           HG       LEU  86  -4.924   7.070   5.817
  622   1HD1  LEU  86          3HD1      LEU  86  -3.478   4.635   4.878
  623   2HD1  LEU  86          2HD1      LEU  86  -3.441   4.993   6.604
  624   3HD1  LEU  86          1HD1      LEU  86  -4.985   4.767   5.784
  625   1HD2  LEU  86          2HD2      LEU  86  -2.556   8.198   5.351
  626   2HD2  LEU  86          1HD2      LEU  86  -2.985   7.630   6.964
  627   3HD2  LEU  86          3HD2      LEU  86  -1.961   6.640   5.925
  628    H    GLY  87           HN       GLY  87  -5.449   6.601   1.560
  629   1HA   GLY  87          2HA       GLY  87  -5.080   8.751  -0.462
  630   2HA   GLY  87          1HA       GLY  87  -4.159   7.258  -0.650
  631    H    GLU  88           HN       GLU  88  -6.462   8.526  -2.225
  632    HA   GLU  88           HA       GLU  88  -7.974   6.003  -2.558
  633   1HB   GLU  88          2HB       GLU  88 -10.133   7.298  -2.610
  634   2HB   GLU  88          1HB       GLU  88  -9.389   7.220  -1.014
  635   1HG   GLU  88          2HG       GLU  88  -8.663   9.454  -1.105
  636   2HG   GLU  88          1HG       GLU  88  -8.796   9.522  -2.862
   
  No H/Q in entry =         636
  Start of MODEL   11
    1   1H    ALA   2          2HT       ALA   2  -5.306  -9.706  -9.895
    2   2H    ALA   2          1HT       ALA   2  -6.736 -10.619  -9.986
    3   3H    ALA   2          3HT       ALA   2  -6.757  -8.972 -10.389
    4    HA   ALA   2           HA       ALA   2  -7.680  -9.037  -8.264
    5   1HB   ALA   2          2HB       ALA   2  -6.674 -11.464  -8.007
    6   2HB   ALA   2          1HB       ALA   2  -5.367 -10.617  -7.181
    7   3HB   ALA   2          3HB       ALA   2  -7.018 -10.499  -6.571
    8    H    GLN   3           HN       GLN   3  -6.062  -7.188  -9.568
    9    HA   GLN   3           HA       GLN   3  -4.280  -6.215  -7.370
   10   1HB   GLN   3          2HB       GLN   3  -3.114  -4.910  -9.200
   11   2HB   GLN   3          1HB       GLN   3  -2.928  -6.658  -9.314
   12   1HG   GLN   3          2HG       GLN   3  -4.733  -6.758 -10.982
   13   2HG   GLN   3          1HG       GLN   3  -4.966  -5.015 -10.848
   14   1HE2  GLN   3          2HE2      GLN   3  -2.678  -4.661 -13.517
   15   2HE2  GLN   3          1HE2      GLN   3  -4.254  -4.388 -12.950
   16    H    LYS   4           HN       LYS   4  -4.335  -3.921  -6.951
   17    HA   LYS   4           HA       LYS   4  -6.647  -2.471  -8.158
   18   1HB   LYS   4          2HB       LYS   4  -6.737  -3.545  -5.612
   19   2HB   LYS   4          1HB       LYS   4  -6.211  -1.891  -5.304
   20   1HG   LYS   4          2HG       LYS   4  -8.128  -0.976  -6.391
   21   2HG   LYS   4          1HG       LYS   4  -8.560  -2.534  -7.095
   22   1HD   LYS   4          2HD       LYS   4  -9.458  -3.332  -5.130
   23   2HD   LYS   4          1HD       LYS   4  -8.358  -2.388  -4.124
   24   1HE   LYS   4          2HE       LYS   4 -10.589  -1.460  -3.900
   25   2HE   LYS   4          1HE       LYS   4  -9.597  -0.321  -4.810
   26   1HZ   LYS   4          1HZ       LYS   4 -11.337  -2.348  -6.093
   27   2HZ   LYS   4          3HZ       LYS   4 -11.846  -0.765  -5.762
   28   3HZ   LYS   4          2HZ       LYS   4 -10.555  -1.036  -6.834
   29    H    THR   5           HN       THR   5  -6.267  -0.290  -8.492
   30    HA   THR   5           HA       THR   5  -3.493   0.640  -7.985
   31    HB   THR   5           HB       THR   5  -5.639   2.025  -9.611
   32    HG1  THR   5           HG1      THR   5  -5.413   0.151 -10.652
   33   1HG2  THR   5          3HG2      THR   5  -3.250   2.976  -8.773
   34   2HG2  THR   5          2HG2      THR   5  -2.746   2.168 -10.257
   35   3HG2  THR   5          1HG2      THR   5  -3.977   3.431 -10.313
   36    H    PHE   6           HN       PHE   6  -3.074   2.166  -6.449
   37    HA   PHE   6           HA       PHE   6  -5.413   3.579  -5.231
   38   1HB   PHE   6          2HB       PHE   6  -2.823   2.653  -3.954
   39   2HB   PHE   6          1HB       PHE   6  -4.023   3.659  -3.146
   40    HD1  PHE   6          2HD       PHE   6  -6.264   2.772  -2.608
   41    HD2  PHE   6          1HD       PHE   6  -3.227   0.301  -4.376
   42    HE1  PHE   6          2HE       PHE   6  -7.557   0.745  -1.999
   43    HE2  PHE   6          1HE       PHE   6  -4.521  -1.726  -3.767
   44    HZ   PHE   6           HZ       PHE   6  -6.688  -1.503  -2.578
   45    H    LYS   7           HN       LYS   7  -5.114   5.796  -4.702
   46    HA   LYS   7           HA       LYS   7  -2.794   7.072  -6.087
   47   1HB   LYS   7          2HB       LYS   7  -5.486   7.551  -6.419
   48   2HB   LYS   7          1HB       LYS   7  -5.039   8.803  -5.261
   49   1HG   LYS   7          2HG       LYS   7  -3.409   8.297  -7.753
   50   2HG   LYS   7          1HG       LYS   7  -4.798   9.383  -7.762
   51   1HD   LYS   7          2HD       LYS   7  -2.911   9.820  -5.526
   52   2HD   LYS   7          1HD       LYS   7  -2.247  10.154  -7.126
   53   1HE   LYS   7          2HE       LYS   7  -4.952  11.218  -6.328
   54   2HE   LYS   7          1HE       LYS   7  -3.476  12.080  -5.891
   55   1HZ   LYS   7          3HZ       LYS   7  -4.031  11.209  -8.665
   56   2HZ   LYS   7          2HZ       LYS   7  -4.558  12.710  -8.069
   57   3HZ   LYS   7          1HZ       LYS   7  -2.898  12.352  -8.130
   58    H    VAL   8           HN       VAL   8  -1.296   8.024  -4.807
   59    HA   VAL   8           HA       VAL   8  -1.722   8.149  -1.910
   60    HB   VAL   8           HB       VAL   8   0.645   9.204  -3.481
   61   1HG1  VAL   8          3HG1      VAL   8   0.187   9.677  -0.940
   62   2HG1  VAL   8          2HG1      VAL   8   0.683   7.997  -0.727
   63   3HG1  VAL   8          1HG1      VAL   8   1.796   9.162  -1.446
   64   1HG2  VAL   8          1HG2      VAL   8  -0.063   6.405  -2.584
   65   2HG2  VAL   8          3HG2      VAL   8   0.490   6.938  -4.172
   66   3HG2  VAL   8          2HG2      VAL   8   1.615   6.898  -2.813
   67    H    THR   9           HN       THR   9  -2.663   9.870  -0.949
   68    HA   THR   9           HA       THR   9  -2.105  12.592  -2.013
   69    HB   THR   9           HB       THR   9  -4.894  11.851  -1.152
   70    HG1  THR   9           HG1      THR   9  -3.788  11.688  -3.758
   71   1HG2  THR   9          1HG2      THR   9  -3.920  14.254  -1.499
   72   2HG2  THR   9          3HG2      THR   9  -4.072  13.875  -3.215
   73   3HG2  THR   9          2HG2      THR   9  -5.500  13.863  -2.179
   74    H    ALA  10           HN       ALA  10  -1.399  10.879   0.445
   75    HA   ALA  10           HA       ALA  10  -2.726  12.203   2.669
   76   1HB   ALA  10          2HB       ALA  10  -0.227  10.488   2.578
   77   2HB   ALA  10          1HB       ALA  10  -1.048  11.004   4.051
   78   3HB   ALA  10          3HB       ALA  10  -1.861   9.920   2.922
   79    H    ASP  11           HN       ASP  11  -1.868  13.853   3.971
   80    HA   ASP  11           HA       ASP  11  -0.154  15.770   2.706
   81   1HB   ASP  11          2HB       ASP  11  -0.132  16.865   4.963
   82   2HB   ASP  11          1HB       ASP  11  -1.756  16.475   4.396
   83    H    SER  12           HN       SER  12   0.440  13.310   5.205
   84    HA   SER  12           HA       SER  12   3.252  14.052   5.498
   85   1HB   SER  12          2HB       SER  12   3.245  11.711   6.692
   86   2HB   SER  12          1HB       SER  12   2.415  13.068   7.445
   87    HG   SER  12           HG       SER  12   1.257  11.073   5.785
   88    H    GLY  13           HN       GLY  13   1.386  11.744   3.617
   89   1HA   GLY  13          2HA       GLY  13   2.248  10.896   1.498
   90   2HA   GLY  13          1HA       GLY  13   3.881  11.025   2.154
   91    H    ILE  14           HN       ILE  14   4.475   8.857   1.899
   92    HA   ILE  14           HA       ILE  14   2.945   6.916   3.580
   93    HB   ILE  14           HB       ILE  14   4.403   6.284   0.998
   94   1HG1  ILE  14          2HG1      ILE  14   1.423   6.497   1.548
   95   2HG1  ILE  14          1HG1      ILE  14   2.369   7.683   0.650
   96   1HG2  ILE  14          3HG2      ILE  14   4.102   4.526   2.887
   97   2HG2  ILE  14          2HG2      ILE  14   2.392   4.570   2.455
   98   3HG2  ILE  14          1HG2      ILE  14   3.593   4.083   1.258
   99   1HD1  ILE  14          2HD1      ILE  14   2.125   4.760  -0.120
  100   2HD1  ILE  14          1HD1      ILE  14   1.170   6.061  -0.835
  101   3HD1  ILE  14          3HD1      ILE  14   2.920   6.031  -1.049
  102   1HN   HIP  15           HN       HIP  15   4.494   7.485   5.291
  103    HA   HIP  15           HA       HIP  15   7.242   6.481   4.786
  104   1HB   HIP  15          1HB       HIP  15   7.110   8.794   5.601
  105   2HB   HIP  15          2HB       HIP  15   7.935   7.765   6.749
  106    HD2  HIP  15          2HD       HIP  15   4.197   9.060   6.384
  107    HE2  HIP  15          2HE       HIP  15   3.397   9.561   8.806
  108    HE1  HIP  15          1HE       HIP  15   5.211   8.981  10.472
  109    H    ALA  16           HN       ALA  16   7.885   5.993   7.541
  110    HA   ALA  16           HA       ALA  16   7.184   3.280   7.755
  111   1HB   ALA  16          3HB       ALA  16   8.953   4.869   9.030
  112   2HB   ALA  16          2HB       ALA  16   7.745   4.684  10.302
  113   3HB   ALA  16          1HB       ALA  16   8.515   3.259   9.600
  114    H    ARG  17           HN       ARG  17   5.390   6.082   8.985
  115    HA   ARG  17           HA       ARG  17   3.814   4.653  10.899
  116   1HB   ARG  17          2HB       ARG  17   3.444   7.219   9.409
  117   2HB   ARG  17          1HB       ARG  17   2.080   6.550  10.294
  118   1HG   ARG  17          2HG       ARG  17   4.826   7.069  11.473
  119   2HG   ARG  17          1HG       ARG  17   3.438   8.140  11.660
  120   1HD   ARG  17          2HD       ARG  17   2.404   5.685  12.402
  121   2HD   ARG  17          1HD       ARG  17   4.050   5.620  13.032
  122    HE   ARG  17           HE       ARG  17   3.135   8.118  13.813
  123   1HH1  ARG  17          HH11      ARG  17   0.429   7.464  14.140
  124   2HH1  ARG  17          HH12      ARG  17   0.330   6.581  15.626
  125   1HH2  ARG  17          HH21      ARG  17   3.719   5.852  15.726
  126   2HH2  ARG  17          HH22      ARG  17   2.192   5.669  16.525
  127    HA   PRO  18           HA       PRO  18   0.527   3.893   7.508
  128   1HB   PRO  18          2HB       PRO  18   1.186   4.501   4.903
  129   2HB   PRO  18          1HB       PRO  18   0.313   5.601   5.983
  130   1HG   PRO  18          2HG       PRO  18   3.201   5.648   5.177
  131   2HG   PRO  18          1HG       PRO  18   2.113   7.002   5.532
  132   1HD   PRO  18          2HD       PRO  18   4.011   6.062   7.317
  133   2HD   PRO  18          1HD       PRO  18   2.530   6.918   7.790
  134    H    ALA  19           HN       ALA  19   3.911   3.307   7.139
  135    HA   ALA  19           HA       ALA  19   3.665   1.035   5.324
  136   1HB   ALA  19          3HB       ALA  19   5.760   2.452   5.630
  137   2HB   ALA  19          2HB       ALA  19   5.965   1.661   7.193
  138   3HB   ALA  19          1HB       ALA  19   6.015   0.709   5.709
  139    H    THR  20           HN       THR  20   3.635   1.590   8.792
  140    HA   THR  20           HA       THR  20   3.873  -1.238   9.487
  141    HB   THR  20           HB       THR  20   2.733   0.809  11.357
  142    HG1  THR  20           HG1      THR  20   5.452   0.604  10.578
  143   1HG2  THR  20          1HG2      THR  20   4.554  -1.591  11.528
  144   2HG2  THR  20          3HG2      THR  20   4.408  -0.445  12.860
  145   3HG2  THR  20          2HG2      THR  20   2.994  -1.343  12.310
  146    H    VAL  21           HN       VAL  21   1.284   1.028   8.807
  147    HA   VAL  21           HA       VAL  21  -0.833  -0.630   9.931
  148    HB   VAL  21           HB       VAL  21  -1.101   1.491   7.810
  149   1HG1  VAL  21          2HG1      VAL  21  -2.962   0.301   9.877
  150   2HG1  VAL  21          1HG1      VAL  21  -3.335   1.776   8.984
  151   3HG1  VAL  21          3HG1      VAL  21  -3.133   0.251   8.122
  152   1HG2  VAL  21          3HG2      VAL  21  -0.564   1.693  10.744
  153   2HG2  VAL  21          2HG2      VAL  21  -0.048   2.759   9.437
  154   3HG2  VAL  21          1HG2      VAL  21  -1.704   2.839  10.039
  155    H    LEU  22           HN       LEU  22   0.328   0.075   6.665
  156    HA   LEU  22           HA       LEU  22  -1.433  -1.703   5.291
  157   1HB   LEU  22          2HB       LEU  22   1.294  -0.618   4.552
  158   2HB   LEU  22          1HB       LEU  22   0.210  -1.443   3.430
  159    HG   LEU  22           HG       LEU  22  -0.508   1.061   4.984
  160   1HD1  LEU  22          2HD1      LEU  22   0.761   0.588   2.320
  161   2HD1  LEU  22          1HD1      LEU  22  -0.464   1.857   2.417
  162   3HD1  LEU  22          3HD1      LEU  22   0.971   1.936   3.441
  163   1HD2  LEU  22          1HD2      LEU  22  -1.890  -0.604   2.866
  164   2HD2  LEU  22          3HD2      LEU  22  -2.505  -0.125   4.449
  165   3HD2  LEU  22          2HD2      LEU  22  -2.339   1.076   3.167
  166    H    VAL  23           HN       VAL  23   1.901  -2.139   6.499
  167    HA   VAL  23           HA       VAL  23   2.257  -4.764   5.420
  168    HB   VAL  23           HB       VAL  23   4.129  -3.339   6.272
  169   1HG1  VAL  23          2HG1      VAL  23   2.910  -2.545   8.318
  170   2HG1  VAL  23          1HG1      VAL  23   3.114  -4.150   9.015
  171   3HG1  VAL  23          3HG1      VAL  23   4.527  -3.156   8.663
  172   1HG2  VAL  23          2HG2      VAL  23   4.221  -5.887   6.056
  173   2HG2  VAL  23          1HG2      VAL  23   5.414  -5.160   7.133
  174   3HG2  VAL  23          3HG2      VAL  23   3.984  -5.947   7.803
  175    H    GLN  24           HN       GLN  24   0.693  -3.602   8.340
  176    HA   GLN  24           HA       GLN  24   0.543  -6.161   9.671
  177   1HB   GLN  24          2HB       GLN  24  -0.873  -3.523   9.980
  178   2HB   GLN  24          1HB       GLN  24  -1.426  -4.935  10.876
  179   1HG   GLN  24          2HG       GLN  24   1.458  -4.710  11.052
  180   2HG   GLN  24          1HG       GLN  24   0.697  -3.207  11.569
  181   1HE2  GLN  24          2HE2      GLN  24   0.550  -6.419  13.990
  182   2HE2  GLN  24          1HE2      GLN  24   1.490  -6.382  12.576
  183    H    THR  25           HN       THR  25  -1.437  -4.542   7.257
  184    HA   THR  25           HA       THR  25  -3.682  -6.392   7.564
  185    HB   THR  25           HB       THR  25  -3.292  -4.751   5.093
  186    HG1  THR  25           HG1      THR  25  -2.902  -3.100   6.330
  187   1HG2  THR  25          2HG2      THR  25  -5.323  -6.245   5.790
  188   2HG2  THR  25          1HG2      THR  25  -5.717  -4.901   6.862
  189   3HG2  THR  25          3HG2      THR  25  -5.629  -4.642   5.120
  190    H    ALA  26           HN       ALA  26  -1.391  -5.798   4.867
  191    HA   ALA  26           HA       ALA  26  -2.117  -8.109   3.377
  192   1HB   ALA  26          3HB       ALA  26   0.502  -6.586   3.446
  193   2HB   ALA  26          2HB       ALA  26   0.068  -7.781   2.223
  194   3HB   ALA  26          1HB       ALA  26  -0.857  -6.286   2.363
  195    H    SER  27           HN       SER  27   0.055  -7.722   6.111
  196    HA   SER  27           HA       SER  27   1.606 -10.088   5.817
  197   1HB   SER  27          2HB       SER  27   1.831  -9.949   8.323
  198   2HB   SER  27          1HB       SER  27   2.204  -8.448   7.483
  199    HG   SER  27           HG       SER  27   0.332  -8.929   9.334
  200    H    LYS  28           HN       LYS  28  -1.657  -9.580   7.034
  201    HA   LYS  28           HA       LYS  28  -1.959 -12.254   8.122
  202   1HB   LYS  28          2HB       LYS  28  -4.206 -10.442   7.205
  203   2HB   LYS  28          1HB       LYS  28  -4.264 -11.692   8.444
  204   1HG   LYS  28          2HG       LYS  28  -2.718  -9.083   8.608
  205   2HG   LYS  28          1HG       LYS  28  -4.181  -9.484   9.501
  206   1HD   LYS  28          2HD       LYS  28  -2.642 -11.594  10.199
  207   2HD   LYS  28          1HD       LYS  28  -1.384 -10.384   9.950
  208   1HE   LYS  28          2HE       LYS  28  -3.404  -9.045  11.380
  209   2HE   LYS  28          1HE       LYS  28  -3.273 -10.630  12.141
  210   1HZ   LYS  28          2HZ       LYS  28  -0.848 -10.287  12.242
  211   2HZ   LYS  28          1HZ       LYS  28  -1.065  -8.708  11.652
  212   3HZ   LYS  28          3HZ       LYS  28  -1.717  -9.146  13.155
  213    H    TYR  29           HN       TYR  29  -2.420 -10.754   4.983
  214    HA   TYR  29           HA       TYR  29  -3.770 -13.150   3.905
  215   1HB   TYR  29          2HB       TYR  29  -2.897 -10.562   2.574
  216   2HB   TYR  29          1HB       TYR  29  -3.806 -11.850   1.780
  217    HD1  TYR  29          2HD       TYR  29  -6.074 -12.509   2.701
  218    HD2  TYR  29          1HD       TYR  29  -3.989  -8.976   3.974
  219    HE1  TYR  29          2HE       TYR  29  -8.187 -11.593   3.617
  220    HE2  TYR  29          1HE       TYR  29  -6.104  -8.059   4.891
  221    HH   TYR  29           HH       TYR  29  -8.868  -9.940   5.363
  222    H    ASP  30           HN       ASP  30  -2.667 -14.785   2.955
  223    HA   ASP  30           HA       ASP  30   0.244 -14.657   2.755
  224   1HB   ASP  30          2HB       ASP  30  -1.766 -16.800   2.019
  225   2HB   ASP  30          1HB       ASP  30  -0.019 -17.005   1.886
  226    H    ALA  31           HN       ALA  31  -2.178 -13.577   0.691
  227    HA   ALA  31           HA       ALA  31  -1.297 -14.496  -1.861
  228   1HB   ALA  31          2HB       ALA  31  -3.405 -13.073  -1.128
  229   2HB   ALA  31          1HB       ALA  31  -2.352 -11.711  -1.508
  230   3HB   ALA  31          3HB       ALA  31  -2.737 -12.903  -2.751
  231    H    ASP  32           HN       ASP  32  -0.225 -13.008  -3.506
  232    HA   ASP  32           HA       ASP  32   2.209 -11.840  -2.272
  233   1HB   ASP  32          2HB       ASP  32   1.542 -12.596  -5.133
  234   2HB   ASP  32          1HB       ASP  32   3.070 -11.869  -4.632
  235    H    VAL  33           HN       VAL  33   1.071  -9.893  -1.558
  236    HA   VAL  33           HA       VAL  33   0.017  -8.099  -3.657
  237    HB   VAL  33           HB       VAL  33  -0.441  -6.577  -1.711
  238   1HG1  VAL  33          1HG1      VAL  33  -1.530  -9.296  -2.106
  239   2HG1  VAL  33          3HG1      VAL  33  -1.903  -8.577  -0.539
  240   3HG1  VAL  33          2HG1      VAL  33  -2.368  -7.747  -2.024
  241   1HG2  VAL  33          3HG2      VAL  33   1.443  -8.290  -0.439
  242   2HG2  VAL  33          2HG2      VAL  33   0.576  -6.929   0.271
  243   3HG2  VAL  33          1HG2      VAL  33  -0.103  -8.553   0.367
  244    H    ASN  34           HN       ASN  34   1.725  -7.317  -4.855
  245    HA   ASN  34           HA       ASN  34   4.056  -6.167  -3.389
  246   1HB   ASN  34          2HB       ASN  34   3.747  -6.765  -6.345
  247   2HB   ASN  34          1HB       ASN  34   5.227  -6.255  -5.533
  248   1HD2  ASN  34          2HD2      ASN  34   4.023 -10.143  -5.287
  249   2HD2  ASN  34          1HD2      ASN  34   3.037  -8.981  -6.033
  250    H    LEU  35           HN       LEU  35   4.270  -3.993  -3.280
  251    HA   LEU  35           HA       LEU  35   2.316  -2.288  -4.697
  252   1HB   LEU  35          2HB       LEU  35   2.832  -1.929  -2.274
  253   2HB   LEU  35          1HB       LEU  35   4.491  -1.526  -2.719
  254    HG   LEU  35           HG       LEU  35   2.323  -0.067  -4.149
  255   1HD1  LEU  35          2HD1      LEU  35   2.944   0.213  -1.212
  256   2HD1  LEU  35          1HD1      LEU  35   2.415   1.606  -2.157
  257   3HD1  LEU  35          3HD1      LEU  35   1.371   0.192  -2.010
  258   1HD2  LEU  35          2HD2      LEU  35   5.148   0.315  -3.277
  259   2HD2  LEU  35          1HD2      LEU  35   4.373   0.751  -4.801
  260   3HD2  LEU  35          3HD2      LEU  35   4.145   1.763  -3.374
  261    H    GLU  36           HN       GLU  36   2.909  -0.770  -6.275
  262    HA   GLU  36           HA       GLU  36   5.733  -0.957  -7.252
  263   1HB   GLU  36          2HB       GLU  36   3.791  -1.877  -8.706
  264   2HB   GLU  36          1HB       GLU  36   3.385  -0.182  -8.977
  265   1HG   GLU  36          2HG       GLU  36   5.624   0.250  -9.858
  266   2HG   GLU  36          1HG       GLU  36   6.106  -1.410  -9.507
  267    H    TYR  37           HN       TYR  37   6.792   0.980  -7.748
  268    HA   TYR  37           HA       TYR  37   5.252   3.504  -7.454
  269   1HB   TYR  37          2HB       TYR  37   6.257   2.981  -5.241
  270   2HB   TYR  37          1HB       TYR  37   7.849   2.930  -5.994
  271    HD1  TYR  37          1HD       TYR  37   5.015   5.303  -6.652
  272    HD2  TYR  37          2HD       TYR  37   8.985   4.784  -5.086
  273    HE1  TYR  37          1HE       TYR  37   5.231   7.758  -6.378
  274    HE2  TYR  37          2HE       TYR  37   9.198   7.239  -4.818
  275    HH   TYR  37           HH       TYR  37   8.083   9.318  -5.975
  276    H    ASN  38           HN       ASN  38   5.654   3.197  -9.858
  277    HA   ASN  38           HA       ASN  38   6.771   3.828 -11.817
  278   1HB   ASN  38          2HB       ASN  38   6.851   5.937 -10.160
  279   2HB   ASN  38          1HB       ASN  38   8.584   5.640 -10.299
  280   1HD2  ASN  38          2HD2      ASN  38   8.768   7.012 -13.530
  281   2HD2  ASN  38          1HD2      ASN  38   9.585   6.490 -12.136
  282    H    GLY  39           HN       GLY  39   7.767   1.496 -11.319
  283   1HA   GLY  39          2HA       GLY  39   9.722   0.354 -12.114
  284   2HA   GLY  39          1HA       GLY  39  10.667   1.795 -11.764
  285    H    LYS  40           HN       LYS  40   9.504   2.043  -9.028
  286    HA   LYS  40           HA       LYS  40  11.311   0.105  -7.727
  287   1HB   LYS  40          2HB       LYS  40   9.682   2.394  -6.580
  288   2HB   LYS  40          1HB       LYS  40  10.862   1.434  -5.686
  289   1HG   LYS  40          2HG       LYS  40  11.728   2.714  -8.249
  290   2HG   LYS  40          1HG       LYS  40  11.560   3.735  -6.819
  291   1HD   LYS  40          2HD       LYS  40  13.162   2.470  -5.598
  292   2HD   LYS  40          1HD       LYS  40  13.113   1.143  -6.760
  293   1HE   LYS  40          2HE       LYS  40  15.139   2.405  -7.162
  294   2HE   LYS  40          1HE       LYS  40  14.027   2.726  -8.493
  295   1HZ   LYS  40          1HZ       LYS  40  13.291   4.714  -7.137
  296   2HZ   LYS  40          3HZ       LYS  40  14.674   4.462  -6.188
  297   3HZ   LYS  40          2HZ       LYS  40  14.832   4.806  -7.844
  298    H    THR  41           HN       THR  41  10.079  -1.837  -8.022
  299    HA   THR  41           HA       THR  41   7.386  -1.944  -6.799
  300    HB   THR  41           HB       THR  41   8.954  -4.156  -8.154
  301    HG1  THR  41           HG1      THR  41   7.669  -3.607  -9.953
  302   1HG2  THR  41          1HG2      THR  41   6.854  -4.505  -6.558
  303   2HG2  THR  41          3HG2      THR  41   5.971  -4.009  -8.002
  304   3HG2  THR  41          2HG2      THR  41   7.022  -5.423  -8.054
  305    H    VAL  42           HN       VAL  42   7.793  -1.820  -4.581
  306    HA   VAL  42           HA       VAL  42   9.593  -3.894  -3.415
  307    HB   VAL  42           HB       VAL  42   8.949  -2.554  -1.223
  308   1HG1  VAL  42          2HG1      VAL  42  11.021  -2.183  -3.278
  309   2HG1  VAL  42          1HG1      VAL  42  10.832  -0.813  -2.182
  310   3HG1  VAL  42          3HG1      VAL  42  11.175  -2.418  -1.534
  311   1HG2  VAL  42          2HG2      VAL  42   7.310  -1.081  -2.434
  312   2HG2  VAL  42          1HG2      VAL  42   8.575  -0.181  -1.596
  313   3HG2  VAL  42          3HG2      VAL  42   8.658  -0.401  -3.345
  314    H    ASN  43           HN       ASN  43   8.795  -5.369  -1.903
  315    HA   ASN  43           HA       ASN  43   6.011  -6.116  -2.188
  316   1HB   ASN  43          2HB       ASN  43   8.128  -7.573  -1.572
  317   2HB   ASN  43          1HB       ASN  43   7.737  -7.083   0.077
  318   1HD2  ASN  43          2HD2      ASN  43   5.855 -10.242  -0.864
  319   2HD2  ASN  43          1HD2      ASN  43   7.497  -9.821  -0.958
  320    H    LEU  44           HN       LEU  44   4.334  -5.853  -0.605
  321    HA   LEU  44           HA       LEU  44   4.510  -3.451   0.957
  322   1HB   LEU  44          2HB       LEU  44   2.379  -4.510   0.062
  323   2HB   LEU  44          1HB       LEU  44   2.486  -5.635   1.421
  324    HG   LEU  44           HG       LEU  44   2.845  -3.403   2.804
  325   1HD1  LEU  44          2HD1      LEU  44   1.435  -2.505   0.299
  326   2HD1  LEU  44          1HD1      LEU  44   1.362  -1.611   1.820
  327   3HD1  LEU  44          3HD1      LEU  44   2.913  -1.853   1.012
  328   1HD2  LEU  44          1HD2      LEU  44   0.415  -4.825   1.894
  329   2HD2  LEU  44          3HD2      LEU  44   1.040  -4.569   3.523
  330   3HD2  LEU  44          2HD2      LEU  44   0.166  -3.277   2.699
  331    H    LYS  45           HN       LYS  45   5.679  -6.598   1.618
  332    HA   LYS  45           HA       LYS  45   5.472  -6.271   4.543
  333   1HB   LYS  45          2HB       LYS  45   6.892  -8.383   2.880
  334   2HB   LYS  45          1HB       LYS  45   6.662  -8.435   4.626
  335   1HG   LYS  45          2HG       LYS  45   4.692  -9.469   4.278
  336   2HG   LYS  45          1HG       LYS  45   4.090  -7.978   3.555
  337   1HD   LYS  45          2HD       LYS  45   5.255  -8.798   1.390
  338   2HD   LYS  45          1HD       LYS  45   5.304 -10.373   2.181
  339   1HE   LYS  45          2HE       LYS  45   2.731  -9.756   2.652
  340   2HE   LYS  45          1HE       LYS  45   2.965  -8.833   1.168
  341   1HZ   LYS  45          2HZ       LYS  45   3.876 -11.629   1.337
  342   2HZ   LYS  45          1HZ       LYS  45   2.244 -11.283   1.015
  343   3HZ   LYS  45          3HZ       LYS  45   3.452 -10.722  -0.034
  344    H    SER  46           HN       SER  46   6.777  -4.102   3.453
  345    HA   SER  46           HA       SER  46   9.505  -4.461   4.538
  346   1HB   SER  46          2HB       SER  46   9.812  -4.947   2.149
  347   2HB   SER  46          1HB       SER  46   8.990  -3.451   1.713
  348    HG   SER  46           HG       SER  46  11.540  -3.884   2.727
  349    H    ILE  47           HN       ILE  47   9.108  -2.988   6.156
  350    HA   ILE  47           HA       ILE  47   7.683  -0.505   5.768
  351    HB   ILE  47           HB       ILE  47   9.647  -1.231   7.961
  352   1HG1  ILE  47          2HG1      ILE  47   7.892  -2.957   7.707
  353   2HG1  ILE  47          1HG1      ILE  47   7.674  -2.046   9.199
  354   1HG2  ILE  47          3HG2      ILE  47   8.705   1.202   7.558
  355   2HG2  ILE  47          2HG2      ILE  47   7.244   0.541   8.291
  356   3HG2  ILE  47          1HG2      ILE  47   8.762   0.534   9.187
  357   1HD1  ILE  47          3HD1      ILE  47   6.246  -0.697   7.113
  358   2HD1  ILE  47          2HD1      ILE  47   5.812  -2.405   7.067
  359   3HD1  ILE  47          1HD1      ILE  47   5.599  -1.481   8.552
  360    H    MET  48           HN       MET  48  11.146  -1.113   6.467
  361    HA   MET  48           HA       MET  48  12.029   1.529   5.906
  362   1HB   MET  48          2HB       MET  48  13.291  -0.382   7.068
  363   2HB   MET  48          1HB       MET  48  13.685  -0.956   5.447
  364   1HG   MET  48          2HG       MET  48  15.504   0.443   6.121
  365   2HG   MET  48          1HG       MET  48  14.560   1.381   4.965
  366   1HE   MET  48          2HE       MET  48  15.954   0.722   8.088
  367   2HE   MET  48          1HE       MET  48  16.516   2.391   8.117
  368   3HE   MET  48          3HE       MET  48  15.348   1.826   9.320
  369    H    GLY  49           HN       GLY  49  11.149  -1.077   3.765
  370   1HA   GLY  49          2HA       GLY  49  12.656  -0.224   1.463
  371   2HA   GLY  49          1HA       GLY  49  11.236  -1.270   1.427
  372    H    VAL  50           HN       VAL  50   9.300   0.395   2.523
  373    HA   VAL  50           HA       VAL  50   8.638   2.073   0.273
  374    HB   VAL  50           HB       VAL  50   7.407   2.086   3.046
  375   1HG1  VAL  50          2HG1      VAL  50   6.540   3.074   0.327
  376   2HG1  VAL  50          1HG1      VAL  50   5.367   2.715   1.594
  377   3HG1  VAL  50          3HG1      VAL  50   6.588   3.960   1.851
  378   1HG2  VAL  50          3HG2      VAL  50   7.235   0.189   0.753
  379   2HG2  VAL  50          2HG2      VAL  50   7.045  -0.115   2.480
  380   3HG2  VAL  50          1HG2      VAL  50   5.720   0.600   1.559
  381    H    VAL  51           HN       VAL  51  10.042   2.687   3.455
  382    HA   VAL  51           HA       VAL  51   9.852   5.572   3.292
  383    HB   VAL  51           HB       VAL  51  11.782   3.898   4.928
  384   1HG1  VAL  51          2HG1      VAL  51  10.715   6.721   5.242
  385   2HG1  VAL  51          1HG1      VAL  51  11.713   5.886   6.432
  386   3HG1  VAL  51          3HG1      VAL  51  12.372   6.270   4.842
  387   1HG2  VAL  51          3HG2      VAL  51   9.366   3.276   5.237
  388   2HG2  VAL  51          2HG2      VAL  51  10.101   3.959   6.686
  389   3HG2  VAL  51          1HG2      VAL  51   9.038   4.949   5.686
  390    H    SER  52           HN       SER  52  12.125   3.192   2.100
  391    HA   SER  52           HA       SER  52  14.336   5.000   1.674
  392   1HB   SER  52          2HB       SER  52  15.297   3.221   0.358
  393   2HB   SER  52          1HB       SER  52  14.483   2.474   1.731
  394    HG   SER  52           HG       SER  52  14.100   1.689  -0.571
  395    H    LEU  53           HN       LEU  53  11.518   4.053  -0.229
  396    HA   LEU  53           HA       LEU  53  12.349   5.192  -2.724
  397   1HB   LEU  53          2HB       LEU  53   9.535   4.903  -1.623
  398   2HB   LEU  53          1HB       LEU  53   9.968   5.134  -3.318
  399    HG   LEU  53           HG       LEU  53  10.884   2.787  -1.631
  400   1HD1  LEU  53          2HD1      LEU  53   8.341   3.075  -2.281
  401   2HD1  LEU  53          1HD1      LEU  53   8.906   2.591  -3.880
  402   3HD1  LEU  53          3HD1      LEU  53   9.137   1.516  -2.501
  403   1HD2  LEU  53          3HD2      LEU  53  11.017   3.367  -4.609
  404   2HD2  LEU  53          2HD2      LEU  53  12.385   3.352  -3.495
  405   3HD2  LEU  53          1HD2      LEU  53  11.517   1.857  -3.847
  406    H    GLY  54           HN       GLY  54  10.712   6.548   0.108
  407   1HA   GLY  54          2HA       GLY  54  10.636   8.812   0.789
  408   2HA   GLY  54          1HA       GLY  54  11.531   9.243  -0.669
  409    H    ILE  55           HN       ILE  55   8.373   7.639  -0.139
  410    HA   ILE  55           HA       ILE  55   7.192   9.145  -2.350
  411    HB   ILE  55           HB       ILE  55   5.748   7.447  -0.294
  412   1HG1  ILE  55          2HG1      ILE  55   6.863   6.527  -2.959
  413   2HG1  ILE  55          1HG1      ILE  55   7.703   6.274  -1.429
  414   1HG2  ILE  55          2HG2      ILE  55   5.131   8.199  -3.169
  415   2HG2  ILE  55          1HG2      ILE  55   4.146   7.141  -2.158
  416   3HG2  ILE  55          3HG2      ILE  55   4.326   8.844  -1.738
  417   1HD1  ILE  55          3HD1      ILE  55   5.421   5.257  -0.644
  418   2HD1  ILE  55          2HD1      ILE  55   5.102   5.098  -2.371
  419   3HD1  ILE  55          1HD1      ILE  55   6.491   4.284  -1.652
  420    H    ALA  56           HN       ALA  56   5.460  10.682  -2.121
  421    HA   ALA  56           HA       ALA  56   4.893  11.724   0.584
  422   1HB   ALA  56          2HB       ALA  56   6.995  12.817  -0.783
  423   2HB   ALA  56          1HB       ALA  56   5.670  13.850  -1.317
  424   3HB   ALA  56          3HB       ALA  56   6.026  13.690   0.405
  425    H    LYS  57           HN       LYS  57   3.615  14.052  -0.077
  426    HA   LYS  57           HA       LYS  57   1.107  13.161  -1.105
  427   1HB   LYS  57          2HB       LYS  57   1.783  15.268   0.351
  428   2HB   LYS  57          1HB       LYS  57   1.845  16.043  -1.229
  429   1HG   LYS  57          2HG       LYS  57  -0.462  15.190  -1.689
  430   2HG   LYS  57          1HG       LYS  57  -0.520  14.579  -0.035
  431   1HD   LYS  57          2HD       LYS  57  -1.597  16.759  -0.092
  432   2HD   LYS  57          1HD       LYS  57  -0.072  16.905   0.783
  433   1HE   LYS  57          2HE       LYS  57   0.965  18.073  -0.937
  434   2HE   LYS  57          1HE       LYS  57  -0.088  17.389  -2.175
  435   1HZ   LYS  57          1HZ       LYS  57  -1.007  19.281  -0.083
  436   2HZ   LYS  57          3HZ       LYS  57  -0.539  19.755  -1.643
  437   3HZ   LYS  57          2HZ       LYS  57  -1.883  18.737  -1.434
  438    H    GLY  58           HN       GLY  58   0.347  13.035  -3.169
  439   1HA   GLY  58          2HA       GLY  58   0.144  13.665  -5.469
  440   2HA   GLY  58          1HA       GLY  58   1.618  14.622  -5.313
  441    H    ALA  59           HN       ALA  59   0.791  11.176  -4.788
  442    HA   ALA  59           HA       ALA  59   2.913  10.448  -6.747
  443   1HB   ALA  59          2HB       ALA  59   3.736  10.400  -4.301
  444   2HB   ALA  59          1HB       ALA  59   2.661   9.017  -4.098
  445   3HB   ALA  59          3HB       ALA  59   3.986   8.942  -5.261
  446    H    GLU  60           HN       GLU  60   2.774   7.956  -7.123
  447    HA   GLU  60           HA       GLU  60  -0.067   7.049  -6.948
  448   1HB   GLU  60          2HB       GLU  60   1.740   6.825  -9.377
  449   2HB   GLU  60          1HB       GLU  60   0.104   6.179  -9.248
  450   1HG   GLU  60          2HG       GLU  60  -0.753   8.477  -8.857
  451   2HG   GLU  60          1HG       GLU  60   0.882   9.104  -9.062
  452    H    ILE  61           HN       ILE  61  -0.295   4.704  -7.017
  453    HA   ILE  61           HA       ILE  61   2.177   3.100  -6.778
  454    HB   ILE  61           HB       ILE  61   1.396   2.114  -4.612
  455   1HG1  ILE  61          2HG1      ILE  61  -0.536   4.458  -4.656
  456   2HG1  ILE  61          1HG1      ILE  61  -0.996   2.771  -4.884
  457   1HG2  ILE  61          1HG2      ILE  61   3.042   4.084  -4.861
  458   2HG2  ILE  61          3HG2      ILE  61   1.702   5.109  -4.348
  459   3HG2  ILE  61          2HG2      ILE  61   2.311   3.851  -3.273
  460   1HD1  ILE  61          2HD1      ILE  61   0.344   2.484  -2.590
  461   2HD1  ILE  61          1HD1      ILE  61  -0.116   4.176  -2.400
  462   3HD1  ILE  61          3HD1      ILE  61  -1.359   2.942  -2.612
  463    H    THR  62           HN       THR  62   1.846   0.998  -7.474
  464    HA   THR  62           HA       THR  62  -0.975   0.251  -8.145
  465    HB   THR  62           HB       THR  62   1.438  -0.848  -9.580
  466    HG1  THR  62           HG1      THR  62   1.048   0.845 -11.108
  467   1HG2  THR  62          2HG2      THR  62  -1.521  -0.675 -10.006
  468   2HG2  THR  62          1HG2      THR  62  -0.462  -0.729 -11.417
  469   3HG2  THR  62          3HG2      THR  62  -0.434  -2.044 -10.242
  470    H    ILE  63           HN       ILE  63  -1.598  -1.222  -6.635
  471    HA   ILE  63           HA       ILE  63   0.385  -3.173  -5.597
  472    HB   ILE  63           HB       ILE  63  -2.465  -2.585  -4.729
  473   1HG1  ILE  63          2HG1      ILE  63   0.182  -1.853  -3.436
  474   2HG1  ILE  63          1HG1      ILE  63  -0.813  -0.737  -4.370
  475   1HG2  ILE  63          3HG2      ILE  63  -0.329  -4.461  -3.718
  476   2HG2  ILE  63          2HG2      ILE  63  -1.556  -3.819  -2.625
  477   3HG2  ILE  63          1HG2      ILE  63  -2.037  -4.790  -4.017
  478   1HD1  ILE  63          1HD1      ILE  63  -2.690  -1.645  -2.668
  479   2HD1  ILE  63          3HD1      ILE  63  -1.265  -1.858  -1.650
  480   3HD1  ILE  63          2HD1      ILE  63  -1.661  -0.263  -2.289
  481    H    SER  64           HN       SER  64  -0.008  -5.441  -5.729
  482    HA   SER  64           HA       SER  64  -2.293  -6.384  -7.342
  483   1HB   SER  64          2HB       SER  64  -0.568  -7.732  -8.752
  484   2HB   SER  64          1HB       SER  64  -0.842  -6.041  -9.159
  485    HG   SER  64           HG       SER  64   1.353  -7.285  -7.992
  486    H    ALA  65           HN       ALA  65  -3.057  -7.915  -5.961
  487    HA   ALA  65           HA       ALA  65  -1.184  -9.535  -4.340
  488   1HB   ALA  65          1HB       ALA  65  -3.433  -8.539  -3.520
  489   2HB   ALA  65          3HB       ALA  65  -4.188  -9.848  -4.427
  490   3HB   ALA  65          2HB       ALA  65  -3.085 -10.215  -3.102
  491    H    SER  66           HN       SER  66  -0.623 -11.612  -4.889
  492    HA   SER  66           HA       SER  66  -2.294 -13.073  -6.870
  493   1HB   SER  66          2HB       SER  66   0.633 -13.322  -7.209
  494   2HB   SER  66          1HB       SER  66  -0.639 -13.339  -8.420
  495    HG   SER  66           HG       SER  66   0.599 -11.150  -7.137
  496    H    GLY  67           HN       GLY  67  -2.935 -14.690  -5.476
  497   1HA   GLY  67          2HA       GLY  67  -1.151 -16.818  -4.851
  498   2HA   GLY  67          1HA       GLY  67  -1.363 -15.836  -3.401
  499    H    ALA  68           HN       ALA  68  -2.889 -16.700  -2.099
  500    HA   ALA  68           HA       ALA  68  -5.112 -18.264  -3.303
  501   1HB   ALA  68          1HB       ALA  68  -3.937 -18.049  -0.538
  502   2HB   ALA  68          3HB       ALA  68  -5.552 -18.718  -0.769
  503   3HB   ALA  68          2HB       ALA  68  -4.161 -19.487  -1.534
  504    H    ASP  69           HN       ASP  69  -4.802 -15.914  -0.616
  505    HA   ASP  69           HA       ASP  69  -7.560 -14.981  -1.203
  506   1HB   ASP  69          2HB       ASP  69  -7.282 -13.726   0.971
  507   2HB   ASP  69          1HB       ASP  69  -7.166 -15.477   1.129
  508    H    GLU  70           HN       GLU  70  -5.921 -14.229  -3.202
  509    HA   GLU  70           HA       GLU  70  -4.536 -11.739  -2.806
  510   1HB   GLU  70          2HB       GLU  70  -4.732 -11.562  -5.326
  511   2HB   GLU  70          1HB       GLU  70  -3.986 -13.048  -4.746
  512   1HG   GLU  70          2HG       GLU  70  -6.878 -13.344  -4.914
  513   2HG   GLU  70          1HG       GLU  70  -6.207 -12.839  -6.462
  514    H    ASN  71           HN       ASN  71  -7.894 -12.545  -3.402
  515    HA   ASN  71           HA       ASN  71  -8.641  -9.819  -4.155
  516   1HB   ASN  71          2HB       ASN  71 -10.377 -12.161  -3.316
  517   2HB   ASN  71          1HB       ASN  71 -10.943 -10.674  -4.080
  518   1HD2  ASN  71          2HD2      ASN  71 -10.213 -13.465  -6.616
  519   2HD2  ASN  71          1HD2      ASN  71 -11.011 -13.529  -5.119
  520    H    ASP  72           HN       ASP  72  -8.608 -11.774  -1.222
  521    HA   ASP  72           HA       ASP  72 -10.135  -9.851   0.348
  522   1HB   ASP  72          2HB       ASP  72  -8.320 -12.067   1.335
  523   2HB   ASP  72          1HB       ASP  72  -9.601 -11.266   2.242
  524    H    ALA  73           HN       ALA  73  -6.787 -10.204  -0.546
  525    HA   ALA  73           HA       ALA  73  -5.779  -8.591   1.677
  526   1HB   ALA  73          2HB       ALA  73  -4.372 -10.310   0.571
  527   2HB   ALA  73          1HB       ALA  73  -4.425  -9.370  -0.920
  528   3HB   ALA  73          3HB       ALA  73  -3.634  -8.709   0.511
  529    H    LEU  74           HN       LEU  74  -6.418  -8.051  -1.803
  530    HA   LEU  74           HA       LEU  74  -5.454  -5.354  -1.819
  531   1HB   LEU  74          2HB       LEU  74  -6.653  -5.118  -3.948
  532   2HB   LEU  74          1HB       LEU  74  -5.785  -6.646  -3.884
  533    HG   LEU  74           HG       LEU  74  -8.108  -7.516  -2.914
  534   1HD1  LEU  74          3HD1      LEU  74  -8.778  -4.886  -3.468
  535   2HD1  LEU  74          2HD1      LEU  74  -9.328  -5.729  -4.916
  536   3HD1  LEU  74          1HD1      LEU  74  -9.930  -6.215  -3.332
  537   1HD2  LEU  74          1HD2      LEU  74  -7.521  -6.980  -5.842
  538   2HD2  LEU  74          3HD2      LEU  74  -6.992  -8.384  -4.914
  539   3HD2  LEU  74          2HD2      LEU  74  -8.706  -8.143  -5.248
  540    H    ASN  75           HN       ASN  75  -8.734  -6.668  -1.291
  541    HA   ASN  75           HA       ASN  75  -9.880  -4.009  -0.988
  542   1HB   ASN  75          2HB       ASN  75 -11.928  -5.161  -0.310
  543   2HB   ASN  75          1HB       ASN  75 -11.251  -5.938  -1.739
  544   1HD2  ASN  75          2HD2      ASN  75 -12.136  -8.499   0.930
  545   2HD2  ASN  75          1HD2      ASN  75 -13.020  -7.214   0.259
  546    H    ALA  76           HN       ALA  76  -8.233  -6.233   1.112
  547    HA   ALA  76           HA       ALA  76  -9.291  -5.274   3.614
  548   1HB   ALA  76          3HB       ALA  76  -7.069  -6.990   2.713
  549   2HB   ALA  76          2HB       ALA  76  -6.723  -6.093   4.192
  550   3HB   ALA  76          1HB       ALA  76  -8.123  -7.161   4.116
  551    H    LEU  77           HN       LEU  77  -6.184  -4.577   1.955
  552    HA   LEU  77           HA       LEU  77  -5.500  -2.386   3.677
  553   1HB   LEU  77          2HB       LEU  77  -4.610  -2.815   0.817
  554   2HB   LEU  77          1HB       LEU  77  -3.777  -1.877   2.055
  555    HG   LEU  77           HG       LEU  77  -4.286  -4.545   3.055
  556   1HD1  LEU  77          2HD1      LEU  77  -4.102  -4.720   0.376
  557   2HD1  LEU  77          1HD1      LEU  77  -2.384  -4.708   0.776
  558   3HD1  LEU  77          3HD1      LEU  77  -3.441  -5.946   1.456
  559   1HD2  LEU  77          1HD2      LEU  77  -1.853  -2.862   2.438
  560   2HD2  LEU  77          3HD2      LEU  77  -2.548  -3.242   4.014
  561   3HD2  LEU  77          2HD2      LEU  77  -1.711  -4.493   3.094
  562    H    GLU  78           HN       GLU  78  -7.431  -2.626   0.737
  563    HA   GLU  78           HA       GLU  78  -7.494   0.121   0.004
  564   1HB   GLU  78          2HB       GLU  78  -8.410  -1.722  -1.386
  565   2HB   GLU  78          1HB       GLU  78  -9.727  -1.919  -0.233
  566   1HG   GLU  78          2HG       GLU  78  -9.365   0.854  -1.165
  567   2HG   GLU  78          1HG       GLU  78  -9.811  -0.277  -2.441
  568    H    GLU  79           HN       GLU  79  -9.815  -1.674   2.080
  569    HA   GLU  79           HA       GLU  79 -11.368   0.603   2.805
  570   1HB   GLU  79          2HB       GLU  79 -12.103  -0.799   4.743
  571   2HB   GLU  79          1HB       GLU  79 -12.193  -1.652   3.201
  572   1HG   GLU  79          2HG       GLU  79 -10.241  -2.914   3.654
  573   2HG   GLU  79          1HG       GLU  79  -9.758  -1.850   4.975
  574    H    THR  80           HN       THR  80  -8.310  -0.621   4.025
  575    HA   THR  80           HA       THR  80  -8.271   0.883   6.482
  576    HB   THR  80           HB       THR  80  -5.890   0.052   4.798
  577    HG1  THR  80           HG1      THR  80  -6.017  -1.886   5.836
  578   1HG2  THR  80          2HG2      THR  80  -5.873   1.626   6.973
  579   2HG2  THR  80          1HG2      THR  80  -5.904   0.055   7.774
  580   3HG2  THR  80          3HG2      THR  80  -4.599   0.448   6.655
  581    H    MET  81           HN       MET  81  -7.367   1.582   3.152
  582    HA   MET  81           HA       MET  81  -6.116   4.134   3.697
  583   1HB   MET  81          2HB       MET  81  -7.136   2.714   1.252
  584   2HB   MET  81          1HB       MET  81  -6.719   4.423   1.147
  585   1HG   MET  81          2HG       MET  81  -4.701   2.797   2.555
  586   2HG   MET  81          1HG       MET  81  -4.931   2.334   0.870
  587   1HE   MET  81          2HE       MET  81  -4.786   3.410  -0.914
  588   2HE   MET  81          1HE       MET  81  -4.395   5.093  -1.255
  589   3HE   MET  81          3HE       MET  81  -3.101   3.910  -1.022
  590    H    LYS  82           HN       LYS  82  -9.403   3.040   3.168
  591    HA   LYS  82           HA       LYS  82 -10.554   5.614   2.573
  592   1HB   LYS  82          2HB       LYS  82 -11.722   3.028   3.634
  593   2HB   LYS  82          1HB       LYS  82 -12.704   4.449   3.269
  594   1HG   LYS  82          2HG       LYS  82 -10.789   3.450   1.190
  595   2HG   LYS  82          1HG       LYS  82 -12.310   2.587   1.429
  596   1HD   LYS  82          2HD       LYS  82 -12.370   5.573   1.197
  597   2HD   LYS  82          1HD       LYS  82 -12.180   4.610  -0.269
  598   1HE   LYS  82          2HE       LYS  82 -14.241   3.461   0.100
  599   2HE   LYS  82          1HE       LYS  82 -14.361   4.065   1.753
  600   1HZ   LYS  82          3HZ       LYS  82 -14.420   6.349   0.717
  601   2HZ   LYS  82          2HZ       LYS  82 -14.678   5.573  -0.773
  602   3HZ   LYS  82          1HZ       LYS  82 -15.799   5.390   0.491
  603    H    SER  83           HN       SER  83 -10.324   3.704   5.587
  604    HA   SER  83           HA       SER  83 -11.623   5.666   7.237
  605   1HB   SER  83          2HB       SER  83 -10.390   4.396   9.107
  606   2HB   SER  83          1HB       SER  83 -11.509   3.465   8.115
  607    HG   SER  83           HG       SER  83  -8.854   3.169   8.442
  608    H    GLU  84           HN       GLU  84  -8.144   4.812   7.045
  609    HA   GLU  84           HA       GLU  84  -7.212   7.011   8.581
  610   1HB   GLU  84          2HB       GLU  84  -5.856   5.438   6.374
  611   2HB   GLU  84          1HB       GLU  84  -5.022   6.587   7.421
  612   1HG   GLU  84          2HG       GLU  84  -6.638   4.275   8.514
  613   2HG   GLU  84          1HG       GLU  84  -4.917   4.140   8.150
  614    H    GLY  85           HN       GLY  85  -8.298   6.862   5.270
  615   1HA   GLY  85          2HA       GLY  85  -8.619   8.582   3.705
  616   2HA   GLY  85          1HA       GLY  85  -8.311   9.728   5.011
  617    H    LEU  86           HN       LEU  86  -6.080   7.195   3.984
  618    HA   LEU  86           HA       LEU  86  -3.961   9.185   3.623
  619   1HB   LEU  86          2HB       LEU  86  -3.950   6.188   3.186
  620   2HB   LEU  86          1HB       LEU  86  -2.525   7.227   3.207
  621    HG   LEU  86           HG       LEU  86  -4.460   6.915   5.521
  622   1HD1  LEU  86          1HD1      LEU  86  -1.723   5.723   5.005
  623   2HD1  LEU  86          3HD1      LEU  86  -2.541   5.685   6.567
  624   3HD1  LEU  86          2HD1      LEU  86  -3.241   4.843   5.183
  625   1HD2  LEU  86          2HD2      LEU  86  -1.830   8.376   5.152
  626   2HD2  LEU  86          1HD2      LEU  86  -3.386   9.063   5.619
  627   3HD2  LEU  86          3HD2      LEU  86  -2.511   8.021   6.741
  628    H    GLY  87           HN       GLY  87  -5.716   6.866   1.561
  629   1HA   GLY  87          2HA       GLY  87  -5.318   8.617  -0.762
  630   2HA   GLY  87          1HA       GLY  87  -4.505   7.056  -0.875
  631    H    GLU  88           HN       GLU  88  -6.204   7.150  -2.790
  632    HA   GLU  88           HA       GLU  88  -8.550   5.575  -1.866
  633   1HB   GLU  88          2HB       GLU  88 -10.003   6.819  -3.471
  634   2HB   GLU  88          1HB       GLU  88  -9.409   7.840  -2.162
  635   1HG   GLU  88          2HG       GLU  88  -7.424   8.274  -3.895
  636   2HG   GLU  88          1HG       GLU  88  -8.680   7.856  -5.060
   
  No H/Q in entry =         636
  Start of MODEL   12
    1   1H    ALA   2          3HT       ALA   2  -6.723  -8.336 -10.655
    2   2H    ALA   2          2HT       ALA   2  -5.708  -9.602 -10.152
    3   3H    ALA   2          1HT       ALA   2  -7.371  -9.877 -10.367
    4    HA   ALA   2           HA       ALA   2  -7.960  -8.676  -8.479
    5   1HB   ALA   2          3HB       ALA   2  -6.483 -10.885  -8.237
    6   2HB   ALA   2          2HB       ALA   2  -5.357  -9.759  -7.479
    7   3HB   ALA   2          1HB       ALA   2  -6.981  -9.961  -6.821
    8    H    GLN   3           HN       GLN   3  -4.737  -7.906  -9.643
    9    HA   GLN   3           HA       GLN   3  -3.824  -6.078  -7.723
   10   1HB   GLN   3          2HB       GLN   3  -2.689  -4.914  -9.655
   11   2HB   GLN   3          1HB       GLN   3  -2.421  -6.654  -9.595
   12   1HG   GLN   3          2HG       GLN   3  -3.638  -7.047 -11.492
   13   2HG   GLN   3          1HG       GLN   3  -4.798  -5.767 -11.134
   14   1HE2  GLN   3          2HE2      GLN   3  -3.177  -4.058 -13.810
   15   2HE2  GLN   3          1HE2      GLN   3  -4.559  -4.936 -13.364
   16    H    LYS   4           HN       LYS   4  -4.011  -3.779  -7.521
   17    HA   LYS   4           HA       LYS   4  -6.270  -2.500  -8.977
   18   1HB   LYS   4          2HB       LYS   4  -6.440  -3.411  -6.293
   19   2HB   LYS   4          1HB       LYS   4  -6.300  -1.656  -6.208
   20   1HG   LYS   4          2HG       LYS   4  -8.320  -1.308  -7.231
   21   2HG   LYS   4          1HG       LYS   4  -8.152  -2.721  -8.273
   22   1HD   LYS   4          2HD       LYS   4  -8.719  -4.211  -6.448
   23   2HD   LYS   4          1HD       LYS   4  -8.709  -2.872  -5.299
   24   1HE   LYS   4          2HE       LYS   4 -11.016  -3.405  -5.930
   25   2HE   LYS   4          1HE       LYS   4 -10.578  -1.815  -6.553
   26   1HZ   LYS   4          1HZ       LYS   4 -10.431  -4.332  -8.119
   27   2HZ   LYS   4          3HZ       LYS   4 -11.717  -3.228  -8.198
   28   3HZ   LYS   4          2HZ       LYS   4 -10.163  -2.758  -8.699
   29    H    THR   5           HN       THR   5  -6.271  -0.070  -8.518
   30    HA   THR   5           HA       THR   5  -3.443   0.875  -8.265
   31    HB   THR   5           HB       THR   5  -5.736   2.253  -9.692
   32    HG1  THR   5           HG1      THR   5  -5.344   0.922 -11.241
   33   1HG2  THR   5          2HG2      THR   5  -2.807   2.781  -9.319
   34   2HG2  THR   5          1HG2      THR   5  -3.594   3.303 -10.808
   35   3HG2  THR   5          3HG2      THR   5  -4.160   3.909  -9.251
   36    H    PHE   6           HN       PHE   6  -3.077   2.809  -7.050
   37    HA   PHE   6           HA       PHE   6  -5.378   3.846  -5.472
   38   1HB   PHE   6          2HB       PHE   6  -2.785   2.756  -4.346
   39   2HB   PHE   6          1HB       PHE   6  -3.874   3.794  -3.425
   40    HD1  PHE   6          1HD       PHE   6  -3.554   0.518  -5.134
   41    HD2  PHE   6          2HD       PHE   6  -5.956   2.973  -2.556
   42    HE1  PHE   6          1HE       PHE   6  -4.950  -1.451  -4.561
   43    HE2  PHE   6          2HE       PHE   6  -7.352   1.003  -1.982
   44    HZ   PHE   6           HZ       PHE   6  -6.850  -1.208  -2.984
   45    H    LYS   7           HN       LYS   7  -5.086   6.014  -4.779
   46    HA   LYS   7           HA       LYS   7  -2.756   7.406  -6.043
   47   1HB   LYS   7          2HB       LYS   7  -5.632   8.025  -5.858
   48   2HB   LYS   7          1HB       LYS   7  -4.589   9.385  -5.445
   49   1HG   LYS   7          2HG       LYS   7  -3.872   7.799  -7.867
   50   2HG   LYS   7          1HG       LYS   7  -5.279   8.857  -7.979
   51   1HD   LYS   7          2HD       LYS   7  -2.574   9.771  -6.964
   52   2HD   LYS   7          1HD       LYS   7  -3.098   9.954  -8.637
   53   1HE   LYS   7          2HE       LYS   7  -5.200  10.933  -6.965
   54   2HE   LYS   7          1HE       LYS   7  -3.689  11.645  -6.403
   55   1HZ   LYS   7          1HZ       LYS   7  -4.474  11.582  -9.258
   56   2HZ   LYS   7          3HZ       LYS   7  -4.856  12.874  -8.228
   57   3HZ   LYS   7          2HZ       LYS   7  -3.231  12.489  -8.538
   58    H    VAL   8           HN       VAL   8  -1.283   8.145  -4.616
   59    HA   VAL   8           HA       VAL   8  -1.941   8.256  -1.747
   60    HB   VAL   8           HB       VAL   8   0.680   8.941  -3.109
   61   1HG1  VAL   8          2HG1      VAL   8  -0.017   9.471  -0.576
   62   2HG1  VAL   8          1HG1      VAL   8   0.446   7.783  -0.369
   63   3HG1  VAL   8          3HG1      VAL   8   1.612   8.945  -1.001
   64   1HG2  VAL   8          1HG2      VAL   8  -0.294   6.583  -3.557
   65   2HG2  VAL   8          3HG2      VAL   8   1.338   6.670  -2.895
   66   3HG2  VAL   8          2HG2      VAL   8  -0.023   6.289  -1.839
   67    H    THR   9           HN       THR   9  -2.548  10.104  -0.745
   68    HA   THR   9           HA       THR   9  -1.606  12.714  -1.803
   69    HB   THR   9           HB       THR   9  -4.494  12.472  -1.040
   70    HG1  THR   9           HG1      THR   9  -4.444  10.937  -2.569
   71   1HG2  THR   9          2HG2      THR   9  -3.092  14.620  -1.595
   72   2HG2  THR   9          1HG2      THR   9  -3.313  14.104  -3.267
   73   3HG2  THR   9          3HG2      THR   9  -4.718  14.450  -2.257
   74    H    ALA  10           HN       ALA  10  -1.275  10.926   0.689
   75    HA   ALA  10           HA       ALA  10  -2.508  12.441   2.844
   76   1HB   ALA  10          3HB       ALA  10  -1.810   9.968   2.906
   77   2HB   ALA  10          2HB       ALA  10  -0.160  10.558   3.106
   78   3HB   ALA  10          1HB       ALA  10  -1.387  10.943   4.314
   79    H    ASP  11           HN       ASP  11  -1.477  13.951   4.204
   80    HA   ASP  11           HA       ASP  11   0.492  15.652   3.045
   81   1HB   ASP  11          2HB       ASP  11  -0.382  15.306   5.928
   82   2HB   ASP  11          1HB       ASP  11   0.682  16.602   5.375
   83    H    SER  12           HN       SER  12   0.794  13.065   5.476
   84    HA   SER  12           HA       SER  12   3.681  13.412   5.726
   85   1HB   SER  12          2HB       SER  12   3.437  11.111   6.892
   86   2HB   SER  12          1HB       SER  12   2.655  12.496   7.648
   87    HG   SER  12           HG       SER  12   1.570  10.289   6.368
   88    H    GLY  13           HN       GLY  13   1.503  11.478   3.768
   89   1HA   GLY  13          2HA       GLY  13   2.100  10.462   1.684
   90   2HA   GLY  13          1HA       GLY  13   3.801  10.600   2.130
   91    H    ILE  14           HN       ILE  14   4.074   8.335   1.557
   92    HA   ILE  14           HA       ILE  14   2.816   6.436   3.489
   93    HB   ILE  14           HB       ILE  14   4.175   5.821   0.849
   94   1HG1  ILE  14          2HG1      ILE  14   1.217   5.921   1.530
   95   2HG1  ILE  14          1HG1      ILE  14   2.073   7.159   0.612
   96   1HG2  ILE  14          3HG2      ILE  14   4.157   3.994   2.558
   97   2HG2  ILE  14          2HG2      ILE  14   2.401   4.121   2.630
   98   3HG2  ILE  14          1HG2      ILE  14   3.188   3.607   1.137
   99   1HD1  ILE  14          2HD1      ILE  14   2.449   4.388  -0.363
  100   2HD1  ILE  14          1HD1      ILE  14   0.816   5.032  -0.535
  101   3HD1  ILE  14          3HD1      ILE  14   2.178   5.876  -1.271
  102   1HN   HIP  15           HN       HIP  15   4.604   7.501   4.919
  103    HA   HIP  15           HA       HIP  15   7.282   6.398   4.400
  104   1HB   HIP  15          1HB       HIP  15   7.008   8.757   5.200
  105   2HB   HIP  15          2HB       HIP  15   8.064   7.783   6.202
  106    HD2  HIP  15          2HD       HIP  15   4.137   8.403   6.480
  107    HE2  HIP  15          2HE       HIP  15   3.720   8.961   8.980
  108    HE1  HIP  15          1HE       HIP  15   5.903   8.950  10.261
  109    H    ALA  16           HN       ALA  16   7.816   6.162   7.385
  110    HA   ALA  16           HA       ALA  16   7.374   3.355   7.577
  111   1HB   ALA  16          1HB       ALA  16   9.017   5.084   8.828
  112   2HB   ALA  16          3HB       ALA  16   7.814   4.850  10.095
  113   3HB   ALA  16          2HB       ALA  16   8.680   3.462   9.435
  114    H    ARG  17           HN       ARG  17   5.652   6.038   9.258
  115    HA   ARG  17           HA       ARG  17   4.050   4.482  10.956
  116   1HB   ARG  17          2HB       ARG  17   4.122   7.169  10.207
  117   2HB   ARG  17          1HB       ARG  17   2.490   6.654   9.789
  118   1HG   ARG  17          2HG       ARG  17   2.035   7.036  11.981
  119   2HG   ARG  17          1HG       ARG  17   2.813   5.476  12.244
  120   1HD   ARG  17          2HD       ARG  17   4.987   7.137  12.139
  121   2HD   ARG  17          1HD       ARG  17   3.783   8.195  12.875
  122    HE   ARG  17           HE       ARG  17   3.448   6.109  14.465
  123   1HH1  ARG  17          HH11      ARG  17   5.427   4.314  14.271
  124   2HH1  ARG  17          HH12      ARG  17   6.858   4.991  14.975
  125   1HH2  ARG  17          HH21      ARG  17   5.699   8.256  14.838
  126   2HH2  ARG  17          HH22      ARG  17   7.012   7.222  15.295
  127    HA   PRO  18           HA       PRO  18   0.707   3.918   7.596
  128   1HB   PRO  18          2HB       PRO  18   1.349   4.563   4.995
  129   2HB   PRO  18          1HB       PRO  18   0.539   5.670   6.118
  130   1HG   PRO  18          2HG       PRO  18   3.391   5.651   5.218
  131   2HG   PRO  18          1HG       PRO  18   2.378   7.020   5.712
  132   1HD   PRO  18          2HD       PRO  18   4.325   5.810   7.311
  133   2HD   PRO  18          1HD       PRO  18   3.004   6.825   7.914
  134    H    ALA  19           HN       ALA  19   4.082   3.348   6.873
  135    HA   ALA  19           HA       ALA  19   3.680   1.035   5.171
  136   1HB   ALA  19          3HB       ALA  19   5.963   2.379   6.509
  137   2HB   ALA  19          2HB       ALA  19   6.159   0.653   6.210
  138   3HB   ALA  19          1HB       ALA  19   5.836   1.748   4.867
  139    H    THR  20           HN       THR  20   3.616   1.598   8.607
  140    HA   THR  20           HA       THR  20   4.027  -1.217   9.313
  141    HB   THR  20           HB       THR  20   2.848   0.747  11.230
  142    HG1  THR  20           HG1      THR  20   5.559   0.778  10.398
  143   1HG2  THR  20          3HG2      THR  20   3.631  -1.722  11.621
  144   2HG2  THR  20          2HG2      THR  20   5.246  -1.014  11.640
  145   3HG2  THR  20          1HG2      THR  20   4.039  -0.489  12.814
  146    H    VAL  21           HN       VAL  21   1.377   1.032   8.802
  147    HA   VAL  21           HA       VAL  21  -0.702  -0.630   9.935
  148    HB   VAL  21           HB       VAL  21  -1.020   1.417   7.748
  149   1HG1  VAL  21          1HG1      VAL  21  -2.852   0.450   9.962
  150   2HG1  VAL  21          3HG1      VAL  21  -3.246   1.711   8.793
  151   3HG1  VAL  21          2HG1      VAL  21  -3.000   0.052   8.250
  152   1HG2  VAL  21          1HG2      VAL  21  -0.416   1.729  10.659
  153   2HG2  VAL  21          3HG2      VAL  21   0.056   2.753   9.303
  154   3HG2  VAL  21          2HG2      VAL  21  -1.585   2.840   9.945
  155    H    LEU  22           HN       LEU  22   0.620  -0.163   6.705
  156    HA   LEU  22           HA       LEU  22  -1.239  -1.952   5.400
  157   1HB   LEU  22          2HB       LEU  22   1.417  -0.758   4.589
  158   2HB   LEU  22          1HB       LEU  22   0.424  -1.741   3.507
  159    HG   LEU  22           HG       LEU  22  -0.546   0.769   4.910
  160   1HD1  LEU  22          1HD1      LEU  22   0.588   0.277   2.145
  161   2HD1  LEU  22          3HD1      LEU  22  -0.467   1.650   2.487
  162   3HD1  LEU  22          2HD1      LEU  22   1.078   1.496   3.324
  163   1HD2  LEU  22          2HD2      LEU  22  -1.711  -1.085   2.810
  164   2HD2  LEU  22          1HD2      LEU  22  -2.391  -0.676   4.386
  165   3HD2  LEU  22          3HD2      LEU  22  -2.344   0.535   3.105
  166    H    VAL  23           HN       VAL  23   2.239  -2.267   6.257
  167    HA   VAL  23           HA       VAL  23   2.648  -4.898   5.368
  168    HB   VAL  23           HB       VAL  23   4.443  -3.430   6.251
  169   1HG1  VAL  23          1HG1      VAL  23   3.038  -2.650   8.226
  170   2HG1  VAL  23          3HG1      VAL  23   3.441  -4.179   9.007
  171   3HG1  VAL  23          2HG1      VAL  23   4.718  -3.036   8.595
  172   1HG2  VAL  23          1HG2      VAL  23   4.079  -6.256   6.853
  173   2HG2  VAL  23          3HG2      VAL  23   5.536  -5.404   6.343
  174   3HG2  VAL  23          2HG2      VAL  23   5.118  -5.490   8.052
  175    H    GLN  24           HN       GLN  24   0.971  -3.795   8.251
  176    HA   GLN  24           HA       GLN  24   0.839  -6.401   9.525
  177   1HB   GLN  24          2HB       GLN  24  -0.627  -3.789   9.916
  178   2HB   GLN  24          1HB       GLN  24  -1.062  -5.235  10.826
  179   1HG   GLN  24          2HG       GLN  24   1.790  -4.955  10.916
  180   2HG   GLN  24          1HG       GLN  24   1.075  -3.401  11.339
  181   1HE2  GLN  24          2HE2      GLN  24   1.281  -5.845  14.309
  182   2HE2  GLN  24          1HE2      GLN  24   2.417  -5.527  13.088
  183    H    THR  25           HN       THR  25  -1.323  -4.526   7.413
  184    HA   THR  25           HA       THR  25  -3.542  -6.348   7.550
  185    HB   THR  25           HB       THR  25  -2.804  -4.524   5.244
  186    HG1  THR  25           HG1      THR  25  -3.046  -3.050   6.714
  187   1HG2  THR  25          3HG2      THR  25  -5.405  -5.733   6.216
  188   2HG2  THR  25          2HG2      THR  25  -5.307  -4.464   4.995
  189   3HG2  THR  25          1HG2      THR  25  -4.594  -6.047   4.681
  190    H    ALA  26           HN       ALA  26  -1.307  -5.843   4.793
  191    HA   ALA  26           HA       ALA  26  -2.014  -8.160   3.354
  192   1HB   ALA  26          1HB       ALA  26   0.590  -6.629   3.501
  193   2HB   ALA  26          3HB       ALA  26   0.321  -7.949   2.363
  194   3HB   ALA  26          2HB       ALA  26  -0.673  -6.495   2.277
  195    H    SER  27           HN       SER  27  -0.016  -7.855   6.204
  196    HA   SER  27           HA       SER  27   1.503 -10.258   5.982
  197   1HB   SER  27          2HB       SER  27   2.105  -8.705   7.701
  198   2HB   SER  27          1HB       SER  27   0.479  -8.719   8.378
  199    HG   SER  27           HG       SER  27   1.769 -10.062   9.609
  200    H    LYS  28           HN       LYS  28  -1.722  -9.652   7.371
  201    HA   LYS  28           HA       LYS  28  -2.185 -12.311   8.311
  202   1HB   LYS  28          2HB       LYS  28  -4.076 -10.116   7.432
  203   2HB   LYS  28          1HB       LYS  28  -4.633 -11.646   8.112
  204   1HG   LYS  28          2HG       LYS  28  -3.872 -11.148  10.222
  205   2HG   LYS  28          1HG       LYS  28  -2.510 -10.201   9.620
  206   1HD   LYS  28          2HD       LYS  28  -3.813  -8.463  10.374
  207   2HD   LYS  28          1HD       LYS  28  -4.514  -8.627   8.764
  208   1HE   LYS  28          2HE       LYS  28  -6.294 -10.049   9.641
  209   2HE   LYS  28          1HE       LYS  28  -5.566 -10.013  11.248
  210   1HZ   LYS  28          2HZ       LYS  28  -5.807  -7.522  11.104
  211   2HZ   LYS  28          1HZ       LYS  28  -6.807  -7.779   9.754
  212   3HZ   LYS  28          3HZ       LYS  28  -7.252  -8.401  11.269
  213    H    TYR  29           HN       TYR  29  -2.381 -10.888   5.115
  214    HA   TYR  29           HA       TYR  29  -3.842 -13.214   4.033
  215   1HB   TYR  29          2HB       TYR  29  -2.676 -10.783   2.632
  216   2HB   TYR  29          1HB       TYR  29  -3.709 -12.003   1.885
  217    HD1  TYR  29          2HD       TYR  29  -6.074 -12.256   2.574
  218    HD2  TYR  29          1HD       TYR  29  -3.589  -9.116   4.127
  219    HE1  TYR  29          2HE       TYR  29  -8.089 -11.064   3.389
  220    HE2  TYR  29          1HE       TYR  29  -5.605  -7.924   4.943
  221    HH   TYR  29           HH       TYR  29  -8.412  -9.209   5.460
  222    H    ASP  30           HN       ASP  30  -2.807 -14.978   3.282
  223    HA   ASP  30           HA       ASP  30   0.074 -15.168   3.283
  224   1HB   ASP  30          2HB       ASP  30  -2.017 -17.022   2.101
  225   2HB   ASP  30          1HB       ASP  30  -0.314 -17.424   2.324
  226    H    ALA  31           HN       ALA  31  -2.275 -14.261   0.869
  227    HA   ALA  31           HA       ALA  31  -0.879 -14.884  -1.516
  228   1HB   ALA  31          1HB       ALA  31  -2.763 -12.632  -0.799
  229   2HB   ALA  31          3HB       ALA  31  -2.108 -12.822  -2.425
  230   3HB   ALA  31          2HB       ALA  31  -3.113 -14.092  -1.725
  231    H    ASP  32           HN       ASP  32   0.632 -13.697  -2.760
  232    HA   ASP  32           HA       ASP  32   2.370 -11.915  -1.172
  233   1HB   ASP  32          2HB       ASP  32   2.649 -13.243  -3.876
  234   2HB   ASP  32          1HB       ASP  32   3.820 -12.068  -3.276
  235    H    VAL  33           HN       VAL  33   1.285  -9.934  -1.092
  236    HA   VAL  33           HA       VAL  33   0.455  -8.687  -3.659
  237    HB   VAL  33           HB       VAL  33  -0.662  -7.009  -2.264
  238   1HG1  VAL  33          1HG1      VAL  33  -1.356  -9.697  -2.439
  239   2HG1  VAL  33          3HG1      VAL  33  -1.511  -9.354  -0.715
  240   3HG1  VAL  33          2HG1      VAL  33  -2.411  -8.397  -1.891
  241   1HG2  VAL  33          3HG2      VAL  33   1.102  -8.176  -0.199
  242   2HG2  VAL  33          2HG2      VAL  33   0.422  -6.554  -0.310
  243   3HG2  VAL  33          1HG2      VAL  33  -0.549  -7.874   0.342
  244    H    ASN  34           HN       ASN  34   1.896  -7.396  -4.676
  245    HA   ASN  34           HA       ASN  34   4.020  -6.090  -3.020
  246   1HB   ASN  34          2HB       ASN  34   4.140  -6.931  -5.932
  247   2HB   ASN  34          1HB       ASN  34   5.451  -6.186  -5.015
  248   1HD2  ASN  34          2HD2      ASN  34   4.988 -10.154  -4.811
  249   2HD2  ASN  34          1HD2      ASN  34   4.232  -9.182  -5.978
  250    H    LEU  35           HN       LEU  35   3.902  -3.920  -2.952
  251    HA   LEU  35           HA       LEU  35   2.151  -2.478  -4.849
  252   1HB   LEU  35          2HB       LEU  35   2.120  -2.034  -2.356
  253   2HB   LEU  35          1HB       LEU  35   3.744  -1.365  -2.521
  254    HG   LEU  35           HG       LEU  35   1.747  -0.320  -4.446
  255   1HD1  LEU  35          3HD1      LEU  35   0.791  -0.593  -1.913
  256   2HD1  LEU  35          2HD1      LEU  35   1.602   0.967  -1.778
  257   3HD1  LEU  35          1HD1      LEU  35   0.340   0.730  -2.987
  258   1HD2  LEU  35          2HD2      LEU  35   4.085   0.632  -2.833
  259   2HD2  LEU  35          1HD2      LEU  35   3.762   0.825  -4.556
  260   3HD2  LEU  35          3HD2      LEU  35   2.912   1.829  -3.382
  261    H    GLU  36           HN       GLU  36   2.961  -0.789  -6.222
  262    HA   GLU  36           HA       GLU  36   5.941  -0.737  -6.503
  263   1HB   GLU  36          2HB       GLU  36   4.816  -2.043  -8.327
  264   2HB   GLU  36          1HB       GLU  36   3.941  -0.578  -8.775
  265   1HG   GLU  36          2HG       GLU  36   6.031   0.584  -9.251
  266   2HG   GLU  36          1HG       GLU  36   6.965  -0.794  -8.669
  267    H    TYR  37           HN       TYR  37   6.787   1.255  -7.425
  268    HA   TYR  37           HA       TYR  37   4.971   3.589  -7.483
  269   1HB   TYR  37          2HB       TYR  37   5.692   3.448  -5.127
  270   2HB   TYR  37          1HB       TYR  37   7.378   3.397  -5.636
  271    HD1  TYR  37          1HD       TYR  37   4.534   5.513  -6.882
  272    HD2  TYR  37          2HD       TYR  37   8.347   5.402  -4.902
  273    HE1  TYR  37          1HE       TYR  37   4.616   7.991  -6.898
  274    HE2  TYR  37          2HE       TYR  37   8.427   7.880  -4.921
  275    HH   TYR  37           HH       TYR  37   6.668   9.775  -5.013
  276    H    ASN  38           HN       ASN  38   5.454   4.183  -9.551
  277    HA   ASN  38           HA       ASN  38   6.674   5.152 -11.294
  278   1HB   ASN  38          2HB       ASN  38   8.303   5.692  -8.995
  279   2HB   ASN  38          1HB       ASN  38   9.366   5.187 -10.307
  280   1HD2  ASN  38          2HD2      ASN  38   6.947   8.401 -11.179
  281   2HD2  ASN  38          1HD2      ASN  38   6.285   7.066 -10.366
  282    H    GLY  39           HN       GLY  39   9.370   3.256  -9.920
  283   1HA   GLY  39          2HA       GLY  39   8.923   1.144 -11.940
  284   2HA   GLY  39          1HA       GLY  39  10.432   2.050 -12.056
  285    H    LYS  40           HN       LYS  40   8.979   1.428  -8.933
  286    HA   LYS  40           HA       LYS  40  11.076  -0.644  -8.415
  287   1HB   LYS  40          2HB       LYS  40  10.213   1.700  -6.707
  288   2HB   LYS  40          1HB       LYS  40  11.057   0.309  -6.029
  289   1HG   LYS  40          2HG       LYS  40  12.920   1.520  -6.567
  290   2HG   LYS  40          1HG       LYS  40  12.649   0.828  -8.166
  291   1HD   LYS  40          2HD       LYS  40  11.328   2.814  -8.805
  292   2HD   LYS  40          1HD       LYS  40  11.602   3.509  -7.207
  293   1HE   LYS  40          2HE       LYS  40  13.404   4.493  -8.184
  294   2HE   LYS  40          1HE       LYS  40  14.165   2.915  -7.980
  295   1HZ   LYS  40          3HZ       LYS  40  13.360   2.304 -10.190
  296   2HZ   LYS  40          2HZ       LYS  40  12.692   3.855 -10.383
  297   3HZ   LYS  40          1HZ       LYS  40  14.375   3.661 -10.249
  298    H    THR  41           HN       THR  41  10.041  -2.537  -8.054
  299    HA   THR  41           HA       THR  41   7.268  -2.531  -7.046
  300    HB   THR  41           HB       THR  41   8.997  -4.909  -7.774
  301    HG1  THR  41           HG1      THR  41   8.086  -4.719  -9.807
  302   1HG2  THR  41          3HG2      THR  41   6.838  -5.178  -6.413
  303   2HG2  THR  41          2HG2      THR  41   5.991  -4.634  -7.861
  304   3HG2  THR  41          1HG2      THR  41   6.952  -6.113  -7.904
  305    H    VAL  42           HN       VAL  42   7.579  -1.898  -4.857
  306    HA   VAL  42           HA       VAL  42   9.316  -3.591  -3.153
  307    HB   VAL  42           HB       VAL  42   8.293  -2.087  -1.288
  308   1HG1  VAL  42          1HG1      VAL  42  10.360  -1.535  -3.309
  309   2HG1  VAL  42          3HG1      VAL  42   9.805  -0.110  -2.429
  310   3HG1  VAL  42          2HG1      VAL  42  10.454  -1.493  -1.546
  311   1HG2  VAL  42          1HG2      VAL  42   6.506  -1.247  -2.989
  312   2HG2  VAL  42          3HG2      VAL  42   7.250  -0.072  -1.904
  313   3HG2  VAL  42          2HG2      VAL  42   7.792  -0.193  -3.578
  314    H    ASN  43           HN       ASN  43   8.485  -4.910  -1.482
  315    HA   ASN  43           HA       ASN  43   5.843  -6.033  -2.046
  316   1HB   ASN  43          2HB       ASN  43   7.907  -7.359  -1.323
  317   2HB   ASN  43          1HB       ASN  43   7.647  -6.696   0.291
  318   1HD2  ASN  43          2HD2      ASN  43   5.677  -9.663   0.689
  319   2HD2  ASN  43          1HD2      ASN  43   7.206  -8.987   0.987
  320    H    LEU  44           HN       LEU  44   3.998  -5.762  -0.798
  321    HA   LEU  44           HA       LEU  44   3.602  -3.420   0.720
  322   1HB   LEU  44          2HB       LEU  44   1.888  -5.124  -0.276
  323   2HB   LEU  44          1HB       LEU  44   2.057  -5.959   1.263
  324    HG   LEU  44           HG       LEU  44   0.119  -4.378   1.196
  325   1HD1  LEU  44          1HD1      LEU  44   1.809  -4.892   3.244
  326   2HD1  LEU  44          3HD1      LEU  44   1.922  -3.134   3.185
  327   3HD1  LEU  44          2HD1      LEU  44   0.354  -3.910   3.404
  328   1HD2  LEU  44          2HD2      LEU  44   1.383  -2.666  -0.241
  329   2HD2  LEU  44          1HD2      LEU  44   0.416  -2.017   1.084
  330   3HD2  LEU  44          3HD2      LEU  44   2.167  -2.152   1.253
  331    H    LYS  45           HN       LYS  45   4.904  -6.522   1.667
  332    HA   LYS  45           HA       LYS  45   4.824  -5.837   4.540
  333   1HB   LYS  45          2HB       LYS  45   5.711  -8.261   2.966
  334   2HB   LYS  45          1HB       LYS  45   6.090  -8.088   4.680
  335   1HG   LYS  45          2HG       LYS  45   4.065  -9.204   4.828
  336   2HG   LYS  45          1HG       LYS  45   3.499  -7.534   4.850
  337   1HD   LYS  45          2HD       LYS  45   2.145  -8.353   3.172
  338   2HD   LYS  45          1HD       LYS  45   3.537  -7.877   2.201
  339   1HE   LYS  45          2HE       LYS  45   3.640 -10.010   1.478
  340   2HE   LYS  45          1HE       LYS  45   4.159 -10.461   3.101
  341   1HZ   LYS  45          2HZ       LYS  45   1.340 -10.275   2.182
  342   2HZ   LYS  45          1HZ       LYS  45   2.214 -11.717   2.394
  343   3HZ   LYS  45          3HZ       LYS  45   1.853 -10.741   3.734
  344    H    SER  46           HN       SER  46   6.225  -3.886   3.482
  345    HA   SER  46           HA       SER  46   9.012  -4.440   4.294
  346   1HB   SER  46          2HB       SER  46   8.631  -4.682   1.687
  347   2HB   SER  46          1HB       SER  46   8.606  -2.921   1.722
  348    HG   SER  46           HG       SER  46  10.662  -2.891   2.353
  349    H    ILE  47           HN       ILE  47   9.178  -2.941   5.890
  350    HA   ILE  47           HA       ILE  47   7.752  -0.374   5.667
  351    HB   ILE  47           HB       ILE  47   9.544  -1.328   7.907
  352   1HG1  ILE  47          2HG1      ILE  47   6.554  -1.700   7.475
  353   2HG1  ILE  47          1HG1      ILE  47   7.766  -2.977   7.501
  354   1HG2  ILE  47          1HG2      ILE  47   8.811   1.147   7.622
  355   2HG2  ILE  47          3HG2      ILE  47   7.199   0.570   8.046
  356   3HG2  ILE  47          2HG2      ILE  47   8.530   0.384   9.188
  357   1HD1  ILE  47          2HD1      ILE  47   8.335  -2.004   9.878
  358   2HD1  ILE  47          1HD1      ILE  47   6.704  -1.339   9.779
  359   3HD1  ILE  47          3HD1      ILE  47   6.953  -3.082   9.681
  360    H    MET  48           HN       MET  48  11.113  -1.528   5.890
  361    HA   MET  48           HA       MET  48  12.204   1.175   5.711
  362   1HB   MET  48          2HB       MET  48  13.240  -1.045   6.734
  363   2HB   MET  48          1HB       MET  48  13.847  -1.247   5.090
  364   1HG   MET  48          2HG       MET  48  14.838   1.022   5.188
  365   2HG   MET  48          1HG       MET  48  14.263   1.191   6.847
  366   1HE   MET  48          2HE       MET  48  16.888   1.458   5.373
  367   2HE   MET  48          1HE       MET  48  18.203   0.622   6.194
  368   3HE   MET  48          3HE       MET  48  17.456  -0.091   4.758
  369    H    GLY  49           HN       GLY  49  11.276  -1.315   3.445
  370   1HA   GLY  49          2HA       GLY  49  12.868  -0.273   1.235
  371   2HA   GLY  49          1HA       GLY  49  11.595  -1.488   1.112
  372    H    VAL  50           HN       VAL  50   9.637   0.274   2.512
  373    HA   VAL  50           HA       VAL  50   8.769   1.769   0.136
  374    HB   VAL  50           HB       VAL  50   7.464   1.568   2.867
  375   1HG1  VAL  50          1HG1      VAL  50   6.665   3.441   1.470
  376   2HG1  VAL  50          3HG1      VAL  50   6.369   2.322   0.138
  377   3HG1  VAL  50          2HG1      VAL  50   5.426   2.196   1.624
  378   1HG2  VAL  50          1HG2      VAL  50   7.917  -0.615   1.552
  379   2HG2  VAL  50          3HG2      VAL  50   6.259  -0.309   2.067
  380   3HG2  VAL  50          2HG2      VAL  50   6.732  -0.007   0.395
  381    H    VAL  51           HN       VAL  51   9.735   2.514   3.483
  382    HA   VAL  51           HA       VAL  51   9.309   5.332   3.344
  383    HB   VAL  51           HB       VAL  51   9.693   4.092   5.453
  384   1HG1  VAL  51          2HG1      VAL  51  11.519   2.628   4.476
  385   2HG1  VAL  51          1HG1      VAL  51  12.609   4.003   4.653
  386   3HG1  VAL  51          3HG1      VAL  51  11.861   3.281   6.078
  387   1HG2  VAL  51          1HG2      VAL  51  11.540   6.379   4.760
  388   2HG2  VAL  51          3HG2      VAL  51  10.015   6.437   5.643
  389   3HG2  VAL  51          2HG2      VAL  51  11.443   5.730   6.397
  390    H    SER  52           HN       SER  52  12.066   3.318   2.444
  391    HA   SER  52           HA       SER  52  13.995   5.341   1.981
  392   1HB   SER  52          2HB       SER  52  15.139   3.729   0.603
  393   2HB   SER  52          1HB       SER  52  14.375   2.841   1.919
  394    HG   SER  52           HG       SER  52  13.943   2.715  -0.764
  395    H    LEU  53           HN       LEU  53  11.233   4.348   0.046
  396    HA   LEU  53           HA       LEU  53  12.010   5.586  -2.421
  397   1HB   LEU  53          2HB       LEU  53   9.349   4.845  -1.211
  398   2HB   LEU  53          1HB       LEU  53   9.438   5.697  -2.752
  399    HG   LEU  53           HG       LEU  53  11.009   3.170  -2.235
  400   1HD1  LEU  53          2HD1      LEU  53   8.136   3.543  -3.007
  401   2HD1  LEU  53          1HD1      LEU  53   9.050   2.232  -3.751
  402   3HD1  LEU  53          3HD1      LEU  53   8.870   2.295  -1.999
  403   1HD2  LEU  53          2HD2      LEU  53  11.270   4.982  -4.210
  404   2HD2  LEU  53          1HD2      LEU  53  11.509   3.256  -4.481
  405   3HD2  LEU  53          3HD2      LEU  53   9.971   4.011  -4.900
  406    H    GLY  54           HN       GLY  54   9.883   6.782   0.202
  407   1HA   GLY  54          2HA       GLY  54   9.827   9.021   1.039
  408   2HA   GLY  54          1HA       GLY  54  10.845   9.527  -0.310
  409    H    ILE  55           HN       ILE  55   7.626   7.991   0.045
  410    HA   ILE  55           HA       ILE  55   6.620   9.387  -2.315
  411    HB   ILE  55           HB       ILE  55   5.082   7.829  -0.213
  412   1HG1  ILE  55          2HG1      ILE  55   6.080   6.801  -2.877
  413   2HG1  ILE  55          1HG1      ILE  55   7.034   6.636  -1.403
  414   1HG2  ILE  55          1HG2      ILE  55   4.475   8.817  -3.001
  415   2HG2  ILE  55          3HG2      ILE  55   3.597   7.458  -2.297
  416   3HG2  ILE  55          2HG2      ILE  55   3.532   9.045  -1.529
  417   1HD1  ILE  55          3HD1      ILE  55   4.172   5.793  -1.295
  418   2HD1  ILE  55          2HD1      ILE  55   5.300   4.748  -2.160
  419   3HD1  ILE  55          1HD1      ILE  55   5.572   5.122  -0.458
  420    H    ALA  56           HN       ALA  56   4.655  10.805  -2.173
  421    HA   ALA  56           HA       ALA  56   4.358  12.234   0.412
  422   1HB   ALA  56          2HB       ALA  56   6.090  13.229  -1.435
  423   2HB   ALA  56          1HB       ALA  56   4.592  14.001  -1.955
  424   3HB   ALA  56          3HB       ALA  56   5.183  14.238  -0.309
  425    H    LYS  57           HN       LYS  57   2.798  14.364  -0.626
  426    HA   LYS  57           HA       LYS  57   0.294  12.917  -1.183
  427   1HB   LYS  57          2HB       LYS  57  -0.733  15.202  -0.955
  428   2HB   LYS  57          1HB       LYS  57   0.192  14.698   0.459
  429   1HG   LYS  57          2HG       LYS  57   1.914  16.187   0.041
  430   2HG   LYS  57          1HG       LYS  57   1.611  16.211  -1.696
  431   1HD   LYS  57          2HD       LYS  57  -0.627  17.237  -0.066
  432   2HD   LYS  57          1HD       LYS  57   0.847  18.198   0.045
  433   1HE   LYS  57          2HE       LYS  57   0.608  18.987  -2.060
  434   2HE   LYS  57          1HE       LYS  57   0.248  17.387  -2.706
  435   1HZ   LYS  57          3HZ       LYS  57  -2.006  17.696  -1.589
  436   2HZ   LYS  57          2HZ       LYS  57  -1.601  19.344  -1.492
  437   3HZ   LYS  57          1HZ       LYS  57  -1.707  18.579  -3.006
  438    H    GLY  58           HN       GLY  58   1.409  12.330  -3.384
  439   1HA   GLY  58          2HA       GLY  58   0.027  13.427  -5.523
  440   2HA   GLY  58          1HA       GLY  58   1.505  14.387  -5.427
  441    H    ALA  59           HN       ALA  59   0.773  10.908  -5.008
  442    HA   ALA  59           HA       ALA  59   2.698  10.310  -7.201
  443   1HB   ALA  59          3HB       ALA  59   2.988   9.655  -4.329
  444   2HB   ALA  59          2HB       ALA  59   3.276   8.309  -5.432
  445   3HB   ALA  59          1HB       ALA  59   4.221   9.791  -5.582
  446    H    GLU  60           HN       GLU  60   2.540   7.915  -7.793
  447    HA   GLU  60           HA       GLU  60  -0.236   6.896  -7.327
  448   1HB   GLU  60          2HB       GLU  60   1.362   6.885  -9.908
  449   2HB   GLU  60          1HB       GLU  60  -0.167   6.036  -9.678
  450   1HG   GLU  60          2HG       GLU  60  -1.061   8.361  -8.898
  451   2HG   GLU  60          1HG       GLU  60   0.352   9.000  -9.739
  452    H    ILE  61           HN       ILE  61  -0.318   4.779  -6.701
  453    HA   ILE  61           HA       ILE  61   2.185   3.160  -6.960
  454    HB   ILE  61           HB       ILE  61   1.535   2.106  -4.779
  455   1HG1  ILE  61          2HG1      ILE  61  -0.467   4.389  -4.698
  456   2HG1  ILE  61          1HG1      ILE  61  -0.882   2.691  -4.920
  457   1HG2  ILE  61          1HG2      ILE  61   3.120   4.114  -5.058
  458   2HG2  ILE  61          3HG2      ILE  61   1.776   5.109  -4.495
  459   3HG2  ILE  61          2HG2      ILE  61   2.448   3.859  -3.447
  460   1HD1  ILE  61          1HD1      ILE  61   0.777   2.759  -2.639
  461   2HD1  ILE  61          3HD1      ILE  61  -0.330   4.120  -2.461
  462   3HD1  ILE  61          2HD1      ILE  61  -0.966   2.490  -2.677
  463    H    THR  62           HN       THR  62   1.902   1.096  -7.753
  464    HA   THR  62           HA       THR  62  -0.913   0.256  -8.321
  465    HB   THR  62           HB       THR  62   1.504  -0.815  -9.769
  466    HG1  THR  62           HG1      THR  62   1.042   0.855 -11.319
  467   1HG2  THR  62          2HG2      THR  62  -1.408  -0.421 -10.512
  468   2HG2  THR  62          1HG2      THR  62  -0.178  -1.126 -11.560
  469   3HG2  THR  62          3HG2      THR  62  -0.651  -1.952 -10.074
  470    H    ILE  63           HN       ILE  63  -1.529  -1.275  -6.883
  471    HA   ILE  63           HA       ILE  63   0.490  -3.108  -5.725
  472    HB   ILE  63           HB       ILE  63  -2.445  -2.660  -5.084
  473   1HG1  ILE  63          2HG1      ILE  63   0.067  -1.947  -3.540
  474   2HG1  ILE  63          1HG1      ILE  63  -0.857  -0.807  -4.517
  475   1HG2  ILE  63          1HG2      ILE  63  -0.378  -4.545  -3.952
  476   2HG2  ILE  63          3HG2      ILE  63  -1.707  -3.957  -2.953
  477   3HG2  ILE  63          2HG2      ILE  63  -2.047  -4.885  -4.414
  478   1HD1  ILE  63          2HD1      ILE  63  -2.877  -1.717  -3.050
  479   2HD1  ILE  63          1HD1      ILE  63  -1.580  -2.098  -1.918
  480   3HD1  ILE  63          3HD1      ILE  63  -1.825  -0.435  -2.448
  481    H    SER  64           HN       SER  64   0.126  -5.433  -5.758
  482    HA   SER  64           HA       SER  64  -1.843  -6.468  -7.701
  483   1HB   SER  64          2HB       SER  64   0.164  -7.848  -8.696
  484   2HB   SER  64          1HB       SER  64  -0.140  -6.215  -9.278
  485    HG   SER  64           HG       SER  64   1.894  -7.207  -7.654
  486    H    ALA  65           HN       ALA  65  -2.820  -7.847  -6.270
  487    HA   ALA  65           HA       ALA  65  -1.186  -9.450  -4.402
  488   1HB   ALA  65          3HB       ALA  65  -3.435  -8.349  -3.816
  489   2HB   ALA  65          2HB       ALA  65  -4.179  -9.616  -4.793
  490   3HB   ALA  65          1HB       ALA  65  -3.243 -10.043  -3.360
  491    H    SER  66           HN       SER  66  -0.737 -11.608  -4.713
  492    HA   SER  66           HA       SER  66  -2.236 -13.114  -6.779
  493   1HB   SER  66          2HB       SER  66   0.363 -12.002  -7.224
  494   2HB   SER  66          1HB       SER  66   0.528 -13.752  -7.141
  495    HG   SER  66           HG       SER  66  -0.283 -12.395  -9.176
  496    H    GLY  67           HN       GLY  67  -2.958 -14.751  -5.488
  497   1HA   GLY  67          2HA       GLY  67  -1.282 -16.829  -4.579
  498   2HA   GLY  67          1HA       GLY  67  -1.561 -15.769  -3.196
  499    H    ALA  68           HN       ALA  68  -2.902 -17.174  -2.029
  500    HA   ALA  68           HA       ALA  68  -5.169 -18.519  -3.269
  501   1HB   ALA  68          1HB       ALA  68  -4.154 -18.192  -0.458
  502   2HB   ALA  68          3HB       ALA  68  -5.779 -18.819  -0.732
  503   3HB   ALA  68          2HB       ALA  68  -4.383 -19.671  -1.391
  504    H    ASP  69           HN       ASP  69  -5.252 -16.275  -0.494
  505    HA   ASP  69           HA       ASP  69  -7.834 -15.218  -1.510
  506   1HB   ASP  69          2HB       ASP  69  -7.950 -14.129   0.749
  507   2HB   ASP  69          1HB       ASP  69  -7.816 -15.885   0.829
  508    H    GLU  70           HN       GLU  70  -5.662 -14.437  -3.050
  509    HA   GLU  70           HA       GLU  70  -4.348 -12.039  -2.316
  510   1HB   GLU  70          2HB       GLU  70  -4.101 -11.656  -4.757
  511   2HB   GLU  70          1HB       GLU  70  -3.721 -13.318  -4.310
  512   1HG   GLU  70          2HG       GLU  70  -6.167 -13.860  -4.875
  513   2HG   GLU  70          1HG       GLU  70  -6.227 -12.271  -5.637
  514    H    ASN  71           HN       ASN  71  -7.510 -12.498  -3.896
  515    HA   ASN  71           HA       ASN  71  -8.088  -9.736  -4.316
  516   1HB   ASN  71          2HB       ASN  71  -9.744 -12.227  -4.072
  517   2HB   ASN  71          1HB       ASN  71 -10.545 -10.655  -4.103
  518   1HD2  ASN  71          1HD2      ASN  71 -10.934  -9.796  -6.155
  519   2HD2  ASN  71          2HD2      ASN  71 -10.163 -10.303  -7.580
  520    H    ASP  72           HN       ASP  72  -8.597 -11.855  -1.529
  521    HA   ASP  72           HA       ASP  72 -10.191 -10.028   0.001
  522   1HB   ASP  72          2HB       ASP  72  -8.346 -12.194   1.029
  523   2HB   ASP  72          1HB       ASP  72  -9.713 -11.480   1.886
  524    H    ALA  73           HN       ALA  73  -6.691 -10.440  -0.321
  525    HA   ALA  73           HA       ALA  73  -6.024  -8.775   1.947
  526   1HB   ALA  73          3HB       ALA  73  -4.540 -10.513   0.775
  527   2HB   ALA  73          2HB       ALA  73  -4.226  -9.254  -0.419
  528   3HB   ALA  73          1HB       ALA  73  -3.780  -8.998   1.268
  529    H    LEU  74           HN       LEU  74  -5.825  -8.115  -1.585
  530    HA   LEU  74           HA       LEU  74  -4.960  -5.452  -1.373
  531   1HB   LEU  74          2HB       LEU  74  -5.954  -5.102  -3.620
  532   2HB   LEU  74          1HB       LEU  74  -5.011  -6.583  -3.508
  533    HG   LEU  74           HG       LEU  74  -7.417  -7.571  -2.828
  534   1HD1  LEU  74          2HD1      LEU  74  -8.158  -5.028  -3.399
  535   2HD1  LEU  74          1HD1      LEU  74  -8.281  -5.738  -5.010
  536   3HD1  LEU  74          3HD1      LEU  74  -9.215  -6.414  -3.676
  537   1HD2  LEU  74          3HD2      LEU  74  -5.956  -7.213  -5.395
  538   2HD2  LEU  74          2HD2      LEU  74  -6.429  -8.695  -4.571
  539   3HD2  LEU  74          1HD2      LEU  74  -7.618  -7.792  -5.512
  540    H    ASN  75           HN       ASN  75  -8.361  -6.603  -1.420
  541    HA   ASN  75           HA       ASN  75  -9.439  -3.938  -1.235
  542   1HB   ASN  75          2HB       ASN  75 -11.569  -4.967  -0.747
  543   2HB   ASN  75          1HB       ASN  75 -10.768  -5.939  -1.975
  544   1HD2  ASN  75          2HD2      ASN  75 -11.186  -7.492   1.813
  545   2HD2  ASN  75          1HD2      ASN  75 -11.240  -5.809   1.601
  546    H    ALA  76           HN       ALA  76  -8.174  -6.190   1.123
  547    HA   ALA  76           HA       ALA  76  -9.315  -5.037   3.479
  548   1HB   ALA  76          3HB       ALA  76  -7.779  -7.195   3.062
  549   2HB   ALA  76          2HB       ALA  76  -6.515  -6.071   3.561
  550   3HB   ALA  76          1HB       ALA  76  -7.868  -6.411   4.639
  551    H    LEU  77           HN       LEU  77  -6.138  -4.447   1.914
  552    HA   LEU  77           HA       LEU  77  -5.397  -2.291   3.643
  553   1HB   LEU  77          2HB       LEU  77  -4.553  -2.707   0.765
  554   2HB   LEU  77          1HB       LEU  77  -3.686  -1.794   1.999
  555    HG   LEU  77           HG       LEU  77  -4.224  -4.443   3.012
  556   1HD1  LEU  77          1HD1      LEU  77  -4.291  -4.871   0.472
  557   2HD1  LEU  77          3HD1      LEU  77  -2.569  -4.488   0.488
  558   3HD1  LEU  77          2HD1      LEU  77  -3.177  -5.852   1.426
  559   1HD2  LEU  77          3HD2      LEU  77  -2.402  -2.845   3.678
  560   2HD2  LEU  77          2HD2      LEU  77  -1.816  -4.469   3.318
  561   3HD2  LEU  77          1HD2      LEU  77  -1.610  -3.176   2.137
  562    H    GLU  78           HN       GLU  78  -7.361  -2.418   0.710
  563    HA   GLU  78           HA       GLU  78  -7.355   0.363   0.075
  564   1HB   GLU  78          2HB       GLU  78  -8.272  -1.380  -1.422
  565   2HB   GLU  78          1HB       GLU  78  -9.593  -1.654  -0.292
  566   1HG   GLU  78          2HG       GLU  78 -10.666   0.302  -0.853
  567   2HG   GLU  78          1HG       GLU  78  -9.160   1.153  -1.194
  568    H    GLU  79           HN       GLU  79  -9.714  -1.481   2.068
  569    HA   GLU  79           HA       GLU  79 -11.259   0.781   2.840
  570   1HB   GLU  79          2HB       GLU  79 -12.033  -0.663   4.724
  571   2HB   GLU  79          1HB       GLU  79 -12.096  -1.483   3.165
  572   1HG   GLU  79          2HG       GLU  79 -10.189  -2.784   3.633
  573   2HG   GLU  79          1HG       GLU  79  -9.673  -1.719   4.940
  574    H    THR  80           HN       THR  80  -8.203  -0.454   4.026
  575    HA   THR  80           HA       THR  80  -8.203   1.014   6.522
  576    HB   THR  80           HB       THR  80  -5.853   0.018   4.873
  577    HG1  THR  80           HG1      THR  80  -7.459  -1.558   5.559
  578   1HG2  THR  80          2HG2      THR  80  -6.158   1.096   7.661
  579   2HG2  THR  80          1HG2      THR  80  -4.899  -0.090   7.311
  580   3HG2  THR  80          3HG2      THR  80  -4.917   1.455   6.460
  581    H    MET  81           HN       MET  81  -7.239   1.696   3.211
  582    HA   MET  81           HA       MET  81  -5.881   4.187   3.777
  583   1HB   MET  81          2HB       MET  81  -7.130   3.096   1.236
  584   2HB   MET  81          1HB       MET  81  -6.142   4.553   1.309
  585   1HG   MET  81          2HG       MET  81  -5.007   2.084   2.534
  586   2HG   MET  81          1HG       MET  81  -5.084   2.144   0.774
  587   1HE   MET  81          1HE       MET  81  -2.614   1.912   0.566
  588   2HE   MET  81          3HE       MET  81  -3.276   3.062  -0.605
  589   3HE   MET  81          2HE       MET  81  -1.741   3.396   0.194
  590    H    LYS  82           HN       LYS  82  -9.206   3.252   3.131
  591    HA   LYS  82           HA       LYS  82 -10.105   6.039   2.849
  592   1HB   LYS  82          2HB       LYS  82 -11.406   3.339   2.719
  593   2HB   LYS  82          1HB       LYS  82 -12.411   4.763   2.979
  594   1HG   LYS  82          2HG       LYS  82 -12.289   5.291   0.795
  595   2HG   LYS  82          1HG       LYS  82 -10.530   5.343   0.878
  596   1HD   LYS  82          2HD       LYS  82 -11.092   3.686  -0.766
  597   2HD   LYS  82          1HD       LYS  82 -10.555   2.811   0.669
  598   1HE   LYS  82          2HE       LYS  82 -12.520   1.670   0.127
  599   2HE   LYS  82          1HE       LYS  82 -13.099   2.845   1.309
  600   1HZ   LYS  82          1HZ       LYS  82 -13.159   3.214  -1.637
  601   2HZ   LYS  82          3HZ       LYS  82 -14.491   2.767  -0.684
  602   3HZ   LYS  82          2HZ       LYS  82 -13.772   4.293  -0.478
  603    H    SER  83           HN       SER  83  -9.628   3.785   5.432
  604    HA   SER  83           HA       SER  83 -11.664   4.602   7.242
  605   1HB   SER  83          2HB       SER  83 -10.298   3.623   8.970
  606   2HB   SER  83          1HB       SER  83 -10.093   2.640   7.524
  607    HG   SER  83           HG       SER  83  -8.223   3.805   8.922
  608    H    GLU  84           HN       GLU  84  -8.312   5.809   6.884
  609    HA   GLU  84           HA       GLU  84  -9.066   8.168   8.547
  610   1HB   GLU  84          2HB       GLU  84  -6.437   6.886   7.817
  611   2HB   GLU  84          1HB       GLU  84  -6.495   8.548   8.403
  612   1HG   GLU  84          2HG       GLU  84  -7.933   7.599  10.339
  613   2HG   GLU  84          1HG       GLU  84  -7.318   6.025   9.835
  614    H    GLY  85           HN       GLY  85  -7.203   7.428   5.577
  615   1HA   GLY  85          2HA       GLY  85  -8.154   8.765   3.562
  616   2HA   GLY  85          1HA       GLY  85  -7.864  10.168   4.593
  617    H    LEU  86           HN       LEU  86  -5.957   7.229   3.858
  618    HA   LEU  86           HA       LEU  86  -3.501   8.821   3.733
  619   1HB   LEU  86          2HB       LEU  86  -4.075   5.884   3.280
  620   2HB   LEU  86          1HB       LEU  86  -2.462   6.590   3.169
  621    HG   LEU  86           HG       LEU  86  -4.249   6.767   5.612
  622   1HD1  LEU  86          2HD1      LEU  86  -3.270   4.463   4.913
  623   2HD1  LEU  86          1HD1      LEU  86  -1.716   5.156   5.374
  624   3HD1  LEU  86          3HD1      LEU  86  -3.005   5.011   6.568
  625   1HD2  LEU  86          3HD2      LEU  86  -1.521   7.786   4.882
  626   2HD2  LEU  86          2HD2      LEU  86  -2.803   8.584   5.796
  627   3HD2  LEU  86          1HD2      LEU  86  -1.835   7.319   6.554
  628    H    GLY  87           HN       GLY  87  -4.992   6.524   1.418
  629   1HA   GLY  87          2HA       GLY  87  -4.563   8.445  -0.778
  630   2HA   GLY  87          1HA       GLY  87  -3.631   6.951  -0.878
  631    H    GLU  88           HN       GLU  88  -6.134   8.183  -2.320
  632    HA   GLU  88           HA       GLU  88  -7.580   5.587  -2.462
  633   1HB   GLU  88          2HB       GLU  88  -9.751   6.817  -2.516
  634   2HB   GLU  88          1HB       GLU  88  -8.922   6.980  -0.969
  635   1HG   GLU  88          2HG       GLU  88  -7.880   9.121  -2.206
  636   2HG   GLU  88          1HG       GLU  88  -9.404   9.022  -3.088
   
  No H/Q in entry =         636
  Start of MODEL   13
    1   1H    ALA   2          1HT       ALA   2  -6.442  -8.386 -10.744
    2   2H    ALA   2          3HT       ALA   2  -5.483  -9.754 -10.449
    3   3H    ALA   2          2HT       ALA   2  -7.167  -9.918 -10.615
    4    HA   ALA   2           HA       ALA   2  -7.617  -8.996  -8.563
    5   1HB   ALA   2          1HB       ALA   2  -5.273 -10.815  -8.665
    6   2HB   ALA   2          3HB       ALA   2  -5.549  -9.999  -7.125
    7   3HB   ALA   2          2HB       ALA   2  -6.814 -11.007  -7.829
    8    H    GLN   3           HN       GLN   3  -4.532  -7.978  -9.869
    9    HA   GLN   3           HA       GLN   3  -3.617  -6.358  -7.711
   10   1HB   GLN   3          2HB       GLN   3  -2.411  -5.069  -9.516
   11   2HB   GLN   3          1HB       GLN   3  -2.138  -6.810  -9.566
   12   1HG   GLN   3          2HG       GLN   3  -3.601  -7.100 -11.410
   13   2HG   GLN   3          1HG       GLN   3  -4.326  -5.507 -11.189
   14   1HE2  GLN   3          2HE2      GLN   3  -2.116  -4.246 -13.626
   15   2HE2  GLN   3          1HE2      GLN   3  -3.719  -4.411 -13.093
   16    H    LYS   4           HN       LYS   4  -3.819  -4.054  -7.403
   17    HA   LYS   4           HA       LYS   4  -6.095  -2.756  -8.831
   18   1HB   LYS   4          2HB       LYS   4  -6.825  -3.755  -6.598
   19   2HB   LYS   4          1HB       LYS   4  -5.752  -2.586  -5.828
   20   1HG   LYS   4          2HG       LYS   4  -6.997  -0.738  -6.638
   21   2HG   LYS   4          1HG       LYS   4  -7.847  -1.727  -7.825
   22   1HD   LYS   4          2HD       LYS   4  -8.987  -2.941  -6.006
   23   2HD   LYS   4          1HD       LYS   4  -8.136  -1.956  -4.815
   24   1HE   LYS   4          2HE       LYS   4  -9.218   0.056  -5.608
   25   2HE   LYS   4          1HE       LYS   4  -9.934  -0.809  -6.968
   26   1HZ   LYS   4          3HZ       LYS   4 -10.460  -1.672  -4.199
   27   2HZ   LYS   4          2HZ       LYS   4 -11.350  -0.399  -4.885
   28   3HZ   LYS   4          1HZ       LYS   4 -11.386  -1.942  -5.594
   29    H    THR   5           HN       THR   5  -6.085  -0.344  -8.423
   30    HA   THR   5           HA       THR   5  -3.276   0.616  -8.035
   31    HB   THR   5           HB       THR   5  -5.449   1.933  -9.688
   32    HG1  THR   5           HG1      THR   5  -4.422   1.019 -11.441
   33   1HG2  THR   5          2HG2      THR   5  -3.644   3.407  -8.840
   34   2HG2  THR   5          1HG2      THR   5  -2.447   2.340  -9.574
   35   3HG2  THR   5          3HG2      THR   5  -3.577   3.231 -10.593
   36    H    PHE   6           HN       PHE   6  -2.954   2.284  -6.588
   37    HA   PHE   6           HA       PHE   6  -5.392   3.461  -5.312
   38   1HB   PHE   6          2HB       PHE   6  -2.824   2.493  -4.036
   39   2HB   PHE   6          1HB       PHE   6  -3.953   3.565  -3.207
   40    HD1  PHE   6          1HD       PHE   6  -3.519   0.200  -4.693
   41    HD2  PHE   6          2HD       PHE   6  -6.089   2.778  -2.413
   42    HE1  PHE   6          1HE       PHE   6  -4.929  -1.747  -4.080
   43    HE2  PHE   6          2HE       PHE   6  -7.499   0.831  -1.802
   44    HZ   PHE   6           HZ       PHE   6  -6.919  -1.430  -2.633
   45    H    LYS   7           HN       LYS   7  -5.268   5.672  -4.828
   46    HA   LYS   7           HA       LYS   7  -2.943   7.099  -6.047
   47   1HB   LYS   7          2HB       LYS   7  -5.529   7.440  -6.671
   48   2HB   LYS   7          1HB       LYS   7  -5.445   8.543  -5.297
   49   1HG   LYS   7          2HG       LYS   7  -4.910   9.833  -7.254
   50   2HG   LYS   7          1HG       LYS   7  -3.400   9.576  -6.379
   51   1HD   LYS   7          2HD       LYS   7  -2.636   8.885  -8.415
   52   2HD   LYS   7          1HD       LYS   7  -3.418   7.369  -7.970
   53   1HE   LYS   7          2HE       LYS   7  -5.197   9.397  -9.198
   54   2HE   LYS   7          1HE       LYS   7  -3.965   8.723 -10.266
   55   1HZ   LYS   7          1HZ       LYS   7  -5.853   7.127  -8.621
   56   2HZ   LYS   7          3HZ       LYS   7  -6.024   7.427 -10.282
   57   3HZ   LYS   7          2HZ       LYS   7  -4.707   6.513  -9.716
   58    H    VAL   8           HN       VAL   8  -1.625   8.247  -4.723
   59    HA   VAL   8           HA       VAL   8  -2.262   8.348  -1.839
   60    HB   VAL   8           HB       VAL   8   0.251   9.314  -3.231
   61   1HG1  VAL   8          3HG1      VAL   8  -0.648   8.894  -0.422
   62   2HG1  VAL   8          2HG1      VAL   8   1.015   8.447  -0.801
   63   3HG1  VAL   8          1HG1      VAL   8   0.460  10.098  -1.079
   64   1HG2  VAL   8          1HG2      VAL   8  -0.531   6.565  -2.221
   65   2HG2  VAL   8          3HG2      VAL   8   0.032   7.000  -3.835
   66   3HG2  VAL   8          2HG2      VAL   8   1.149   7.045  -2.470
   67    H    THR   9           HN       THR   9  -3.434  10.071  -1.172
   68    HA   THR   9           HA       THR   9  -2.884  12.723  -2.445
   69    HB   THR   9           HB       THR   9  -5.433  11.946  -1.017
   70    HG1  THR   9           HG1      THR   9  -4.883  11.901  -3.797
   71   1HG2  THR   9          1HG2      THR   9  -4.548  14.201  -2.814
   72   2HG2  THR   9          3HG2      THR   9  -6.255  13.830  -2.568
   73   3HG2  THR   9          2HG2      THR   9  -5.248  14.300  -1.198
   74    H    ALA  10           HN       ALA  10  -2.744  10.924   0.488
   75    HA   ALA  10           HA       ALA  10  -3.201  12.950   2.427
   76   1HB   ALA  10          2HB       ALA  10  -1.410  10.513   2.429
   77   2HB   ALA  10          1HB       ALA  10  -1.598  11.553   3.841
   78   3HB   ALA  10          3HB       ALA  10  -2.992  10.694   3.185
   79    H    ASP  11           HN       ASP  11  -1.891  14.557   3.270
   80    HA   ASP  11           HA       ASP  11   0.260  15.565   1.638
   81   1HB   ASP  11          2HB       ASP  11   0.578  17.183   3.528
   82   2HB   ASP  11          1HB       ASP  11  -1.091  17.097   2.962
   83    H    SER  12           HN       SER  12   0.123  13.634   4.592
   84    HA   SER  12           HA       SER  12   2.903  13.805   5.273
   85   1HB   SER  12          2HB       SER  12   2.330  11.474   6.352
   86   2HB   SER  12          1HB       SER  12   1.595  12.939   6.998
   87    HG   SER  12           HG       SER  12  -0.286  12.390   6.134
   88    H    GLY  13           HN       GLY  13   1.136  11.861   2.947
   89   1HA   GLY  13          2HA       GLY  13   2.052  10.670   1.107
   90   2HA   GLY  13          1HA       GLY  13   3.666  10.982   1.747
   91    H    ILE  14           HN       ILE  14   4.150   8.695   1.357
   92    HA   ILE  14           HA       ILE  14   2.838   6.861   3.322
   93    HB   ILE  14           HB       ILE  14   4.535   5.918   1.013
   94   1HG1  ILE  14          2HG1      ILE  14   2.834   7.356  -0.018
   95   2HG1  ILE  14          1HG1      ILE  14   2.435   5.667  -0.316
   96   1HG2  ILE  14          2HG2      ILE  14   2.254   4.733   2.618
   97   2HG2  ILE  14          1HG2      ILE  14   3.030   3.937   1.250
   98   3HG2  ILE  14          3HG2      ILE  14   3.956   4.280   2.710
   99   1HD1  ILE  14          3HD1      ILE  14   1.098   6.029   2.000
  100   2HD1  ILE  14          2HD1      ILE  14   1.035   7.673   1.368
  101   3HD1  ILE  14          1HD1      ILE  14   0.374   6.339   0.422
  102   1HN   HIP  15           HN       HIP  15   4.183   7.457   5.078
  103    HA   HIP  15           HA       HIP  15   7.075   6.899   4.747
  104   1HB   HIP  15          1HB       HIP  15   6.566   9.127   5.602
  105   2HB   HIP  15          2HB       HIP  15   7.400   8.189   6.821
  106    HD2  HIP  15          2HD       HIP  15   3.582   9.007   6.078
  107    HE2  HIP  15          2HE       HIP  15   2.477   9.322   8.409
  108    HE1  HIP  15          1HE       HIP  15   4.172   8.927  10.244
  109    H    ALA  16           HN       ALA  16   7.666   6.374   7.474
  110    HA   ALA  16           HA       ALA  16   7.284   3.581   7.569
  111   1HB   ALA  16          1HB       ALA  16   8.874   5.307   8.893
  112   2HB   ALA  16          3HB       ALA  16   7.704   4.944  10.163
  113   3HB   ALA  16          2HB       ALA  16   8.618   3.638   9.406
  114    H    ARG  17           HN       ARG  17   5.473   6.068   9.468
  115    HA   ARG  17           HA       ARG  17   3.998   4.292  11.064
  116   1HB   ARG  17          2HB       ARG  17   3.976   6.995  10.742
  117   2HB   ARG  17          1HB       ARG  17   2.411   6.569  10.059
  118   1HG   ARG  17          2HG       ARG  17   1.585   6.356  12.137
  119   2HG   ARG  17          1HG       ARG  17   2.696   5.018  12.419
  120   1HD   ARG  17          2HD       ARG  17   3.948   7.683  12.612
  121   2HD   ARG  17          1HD       ARG  17   2.710   7.373  13.829
  122    HE   ARG  17           HE       ARG  17   5.235   5.846  13.508
  123   1HH1  ARG  17          HH11      ARG  17   2.214   4.960  14.459
  124   2HH1  ARG  17          HH12      ARG  17   2.598   4.652  16.119
  125   1HH2  ARG  17          HH21      ARG  17   5.755   6.075  15.927
  126   2HH2  ARG  17          HH22      ARG  17   4.603   5.284  16.950
  127    HA   PRO  18           HA       PRO  18   0.558   3.872   7.776
  128   1HB   PRO  18          2HB       PRO  18   1.126   4.663   5.198
  129   2HB   PRO  18          1HB       PRO  18   0.308   5.687   6.391
  130   1HG   PRO  18          2HG       PRO  18   3.147   5.789   5.451
  131   2HG   PRO  18          1HG       PRO  18   2.099   7.107   6.001
  132   1HD   PRO  18          2HD       PRO  18   4.090   5.934   7.553
  133   2HD   PRO  18          1HD       PRO  18   2.712   6.835   8.200
  134    H    ALA  19           HN       ALA  19   3.930   3.429   6.964
  135    HA   ALA  19           HA       ALA  19   3.549   1.193   5.153
  136   1HB   ALA  19          1HB       ALA  19   5.815   2.581   6.448
  137   2HB   ALA  19          3HB       ALA  19   6.074   0.860   6.163
  138   3HB   ALA  19          2HB       ALA  19   5.681   1.927   4.816
  139    H    THR  20           HN       THR  20   3.626   1.595   8.621
  140    HA   THR  20           HA       THR  20   4.100  -1.238   9.180
  141    HB   THR  20           HB       THR  20   2.940   0.624  11.213
  142    HG1  THR  20           HG1      THR  20   4.937   1.594  11.477
  143   1HG2  THR  20          1HG2      THR  20   4.699  -1.763  11.081
  144   2HG2  THR  20          3HG2      THR  20   5.082  -0.583  12.334
  145   3HG2  THR  20          2HG2      THR  20   3.483  -1.324  12.280
  146    H    VAL  21           HN       VAL  21   1.384   0.932   8.752
  147    HA   VAL  21           HA       VAL  21  -0.635  -0.782   9.908
  148    HB   VAL  21           HB       VAL  21  -1.012   1.246   7.714
  149   1HG1  VAL  21          1HG1      VAL  21  -2.785  -0.046   9.780
  150   2HG1  VAL  21          3HG1      VAL  21  -3.224   1.495   9.044
  151   3HG1  VAL  21          2HG1      VAL  21  -3.026   0.060   8.036
  152   1HG2  VAL  21          1HG2      VAL  21  -0.391   1.576  10.610
  153   2HG2  VAL  21          3HG2      VAL  21  -0.026   2.646   9.256
  154   3HG2  VAL  21          2HG2      VAL  21  -1.649   2.619   9.947
  155    H    LEU  22           HN       LEU  22   0.730  -0.341   6.706
  156    HA   LEU  22           HA       LEU  22  -1.098  -2.147   5.374
  157   1HB   LEU  22          2HB       LEU  22   1.583  -0.982   4.601
  158   2HB   LEU  22          1HB       LEU  22   0.574  -1.936   3.508
  159    HG   LEU  22           HG       LEU  22  -0.353   0.585   4.920
  160   1HD1  LEU  22          3HD1      LEU  22   0.770   0.100   2.148
  161   2HD1  LEU  22          2HD1      LEU  22  -0.225   1.507   2.529
  162   3HD1  LEU  22          1HD1      LEU  22   1.317   1.269   3.351
  163   1HD2  LEU  22          2HD2      LEU  22  -1.536  -1.209   2.778
  164   2HD2  LEU  22          1HD2      LEU  22  -2.215  -0.834   4.363
  165   3HD2  LEU  22          3HD2      LEU  22  -2.146   0.412   3.116
  166    H    VAL  23           HN       VAL  23   2.351  -2.449   6.338
  167    HA   VAL  23           HA       VAL  23   2.766  -5.097   5.480
  168    HB   VAL  23           HB       VAL  23   4.567  -3.638   6.339
  169   1HG1  VAL  23          3HG1      VAL  23   3.178  -2.731   8.242
  170   2HG1  VAL  23          2HG1      VAL  23   3.469  -4.248   9.094
  171   3HG1  VAL  23          1HG1      VAL  23   4.821  -3.189   8.689
  172   1HG2  VAL  23          1HG2      VAL  23   4.428  -6.338   6.562
  173   2HG2  VAL  23          3HG2      VAL  23   5.851  -5.406   7.029
  174   3HG2  VAL  23          2HG2      VAL  23   4.684  -5.909   8.253
  175    H    GLN  24           HN       GLN  24   1.010  -3.938   8.289
  176    HA   GLN  24           HA       GLN  24   0.885  -6.531   9.610
  177   1HB   GLN  24          2HB       GLN  24  -0.584  -3.917   9.975
  178   2HB   GLN  24          1HB       GLN  24  -0.998  -5.352  10.909
  179   1HG   GLN  24          2HG       GLN  24   1.858  -5.029  10.957
  180   2HG   GLN  24          1HG       GLN  24   1.114  -3.493  11.392
  181   1HE2  GLN  24          2HE2      GLN  24   1.424  -5.839  14.396
  182   2HE2  GLN  24          1HE2      GLN  24   2.545  -5.425  13.190
  183    H    THR  25           HN       THR  25  -1.237  -4.697   7.428
  184    HA   THR  25           HA       THR  25  -3.444  -6.566   7.604
  185    HB   THR  25           HB       THR  25  -2.795  -4.595   5.390
  186    HG1  THR  25           HG1      THR  25  -2.978  -3.735   7.566
  187   1HG2  THR  25          2HG2      THR  25  -5.351  -5.983   6.237
  188   2HG2  THR  25          1HG2      THR  25  -5.281  -4.661   5.072
  189   3HG2  THR  25          3HG2      THR  25  -4.489  -6.195   4.713
  190    H    ALA  26           HN       ALA  26  -1.326  -5.880   4.797
  191    HA   ALA  26           HA       ALA  26  -1.967  -8.140   3.271
  192   1HB   ALA  26          2HB       ALA  26   0.610  -6.575   3.494
  193   2HB   ALA  26          1HB       ALA  26   0.375  -7.854   2.303
  194   3HB   ALA  26          3HB       ALA  26  -0.649  -6.419   2.270
  195    H    SER  27           HN       SER  27   0.118  -7.935   6.087
  196    HA   SER  27           HA       SER  27   1.588 -10.358   5.727
  197   1HB   SER  27          2HB       SER  27   2.328  -8.905   7.459
  198   2HB   SER  27          1HB       SER  27   0.726  -8.824   8.185
  199    HG   SER  27           HG       SER  27   2.533 -10.344   9.016
  200    H    LYS  28           HN       LYS  28  -1.517  -9.730   7.366
  201    HA   LYS  28           HA       LYS  28  -1.998 -12.425   8.182
  202   1HB   LYS  28          2HB       LYS  28  -3.669  -9.975   7.806
  203   2HB   LYS  28          1HB       LYS  28  -4.499 -11.525   7.954
  204   1HG   LYS  28          2HG       LYS  28  -4.337 -10.932  10.191
  205   2HG   LYS  28          1HG       LYS  28  -2.838 -11.844   9.999
  206   1HD   LYS  28          2HD       LYS  28  -1.570  -9.801   9.674
  207   2HD   LYS  28          1HD       LYS  28  -3.049  -8.837   9.669
  208   1HE   LYS  28          2HE       LYS  28  -3.502  -9.508  11.998
  209   2HE   LYS  28          1HE       LYS  28  -2.031 -10.480  12.007
  210   1HZ   LYS  28          1HZ       LYS  28  -1.904  -7.628  11.295
  211   2HZ   LYS  28          3HZ       LYS  28  -1.972  -8.086  12.926
  212   3HZ   LYS  28          2HZ       LYS  28  -0.694  -8.627  11.947
  213    H    TYR  29           HN       TYR  29  -2.256 -10.881   5.065
  214    HA   TYR  29           HA       TYR  29  -4.003 -13.005   3.994
  215   1HB   TYR  29          2HB       TYR  29  -2.709 -10.572   2.727
  216   2HB   TYR  29          1HB       TYR  29  -3.676 -11.742   1.825
  217    HD1  TYR  29          2HD       TYR  29  -6.070 -12.145   2.471
  218    HD2  TYR  29          1HD       TYR  29  -3.748  -8.938   4.134
  219    HE1  TYR  29          2HE       TYR  29  -8.152 -11.036   3.233
  220    HE2  TYR  29          1HE       TYR  29  -5.831  -7.828   4.900
  221    HH   TYR  29           HH       TYR  29  -8.799  -9.394   5.035
  222    H    ASP  30           HN       ASP  30  -3.226 -14.824   3.088
  223    HA   ASP  30           HA       ASP  30  -0.426 -15.437   3.035
  224   1HB   ASP  30          2HB       ASP  30  -2.923 -16.750   2.033
  225   2HB   ASP  30          1HB       ASP  30  -1.369 -17.346   1.449
  226    H    ALA  31           HN       ALA  31  -2.611 -14.063   0.660
  227    HA   ALA  31           HA       ALA  31  -1.106 -14.559  -1.703
  228   1HB   ALA  31          1HB       ALA  31  -3.066 -12.433  -0.879
  229   2HB   ALA  31          3HB       ALA  31  -2.217 -12.297  -2.419
  230   3HB   ALA  31          2HB       ALA  31  -3.244 -13.694  -2.100
  231    H    ASP  32           HN       ASP  32   0.577 -13.426  -2.685
  232    HA   ASP  32           HA       ASP  32   2.173 -11.710  -0.888
  233   1HB   ASP  32          2HB       ASP  32   2.756 -12.835  -3.645
  234   2HB   ASP  32          1HB       ASP  32   3.899 -11.905  -2.677
  235    H    VAL  33           HN       VAL  33   1.064  -9.730  -0.887
  236    HA   VAL  33           HA       VAL  33   0.423  -8.449  -3.469
  237    HB   VAL  33           HB       VAL  33  -0.600  -6.685  -2.088
  238   1HG1  VAL  33          1HG1      VAL  33  -1.420  -9.376  -2.235
  239   2HG1  VAL  33          3HG1      VAL  33  -1.687  -8.909  -0.554
  240   3HG1  VAL  33          2HG1      VAL  33  -2.431  -7.984  -1.858
  241   1HG2  VAL  33          3HG2      VAL  33   1.073  -7.949  -0.018
  242   2HG2  VAL  33          2HG2      VAL  33   0.433  -6.309  -0.099
  243   3HG2  VAL  33          1HG2      VAL  33  -0.576  -7.619   0.512
  244    H    ASN  34           HN       ASN  34   1.646  -6.832  -4.379
  245    HA   ASN  34           HA       ASN  34   3.914  -5.739  -2.769
  246   1HB   ASN  34          2HB       ASN  34   4.064  -6.595  -5.672
  247   2HB   ASN  34          1HB       ASN  34   5.388  -5.956  -4.696
  248   1HD2  ASN  34          2HD2      ASN  34   4.331  -9.872  -4.347
  249   2HD2  ASN  34          1HD2      ASN  34   3.456  -8.821  -5.354
  250    H    LEU  35           HN       LEU  35   4.266  -3.569  -3.029
  251    HA   LEU  35           HA       LEU  35   2.307  -2.054  -4.642
  252   1HB   LEU  35          2HB       LEU  35   3.079  -1.520  -2.210
  253   2HB   LEU  35          1HB       LEU  35   4.523  -0.860  -2.976
  254    HG   LEU  35           HG       LEU  35   2.084   0.057  -4.306
  255   1HD1  LEU  35          1HD1      LEU  35   2.240   0.173  -1.346
  256   2HD1  LEU  35          3HD1      LEU  35   1.834   1.691  -2.148
  257   3HD1  LEU  35          2HD1      LEU  35   0.833   0.261  -2.405
  258   1HD2  LEU  35          1HD2      LEU  35   4.553   0.938  -4.287
  259   2HD2  LEU  35          3HD2      LEU  35   3.232   2.106  -4.322
  260   3HD2  LEU  35          2HD2      LEU  35   4.065   1.761  -2.806
  261    H    GLU  36           HN       GLU  36   3.055  -0.406  -6.192
  262    HA   GLU  36           HA       GLU  36   5.838  -0.846  -7.184
  263   1HB   GLU  36          2HB       GLU  36   4.077  -2.131  -8.509
  264   2HB   GLU  36          1HB       GLU  36   3.452  -0.564  -9.019
  265   1HG   GLU  36          2HG       GLU  36   6.301  -0.545  -9.377
  266   2HG   GLU  36          1HG       GLU  36   5.664  -2.019 -10.104
  267    H    TYR  37           HN       TYR  37   6.899   1.031  -7.548
  268    HA   TYR  37           HA       TYR  37   5.293   3.550  -7.629
  269   1HB   TYR  37          2HB       TYR  37   7.222   3.020  -5.868
  270   2HB   TYR  37          1HB       TYR  37   8.259   3.540  -7.189
  271    HD1  TYR  37          1HD       TYR  37   6.057   5.566  -8.310
  272    HD2  TYR  37          2HD       TYR  37   7.841   4.906  -4.452
  273    HE1  TYR  37          1HE       TYR  37   5.632   7.930  -7.708
  274    HE2  TYR  37          2HE       TYR  37   7.409   7.273  -3.856
  275    HH   TYR  37           HH       TYR  37   7.092   9.469  -5.166
  276    H    ASN  38           HN       ASN  38   5.172   2.434 -10.005
  277    HA   ASN  38           HA       ASN  38   5.708   2.665 -12.276
  278   1HB   ASN  38          2HB       ASN  38   6.745   5.200 -11.034
  279   2HB   ASN  38          1HB       ASN  38   7.014   4.882 -12.748
  280   1HD2  ASN  38          1HD2      ASN  38   5.230   6.960 -11.556
  281   2HD2  ASN  38          2HD2      ASN  38   3.672   6.623 -12.142
  282    H    GLY  39           HN       GLY  39   7.709   1.353 -10.343
  283   1HA   GLY  39          2HA       GLY  39   9.590   0.325 -12.004
  284   2HA   GLY  39          1HA       GLY  39  10.291   1.895 -11.615
  285    H    LYS  40           HN       LYS  40   9.433   2.109  -8.925
  286    HA   LYS  40           HA       LYS  40  11.312   0.199  -7.671
  287   1HB   LYS  40          2HB       LYS  40   9.786   2.505  -6.423
  288   2HB   LYS  40          1HB       LYS  40  11.142   1.635  -5.707
  289   1HG   LYS  40          2HG       LYS  40  11.367   3.068  -8.360
  290   2HG   LYS  40          1HG       LYS  40  11.707   3.868  -6.824
  291   1HD   LYS  40          2HD       LYS  40  13.596   2.591  -6.416
  292   2HD   LYS  40          1HD       LYS  40  13.006   1.226  -7.364
  293   1HE   LYS  40          2HE       LYS  40  14.602   2.054  -8.822
  294   2HE   LYS  40          1HE       LYS  40  13.198   2.977  -9.357
  295   1HZ   LYS  40          2HZ       LYS  40  13.946   4.661  -7.605
  296   2HZ   LYS  40          1HZ       LYS  40  15.438   3.851  -7.650
  297   3HZ   LYS  40          3HZ       LYS  40  14.827   4.576  -9.056
  298    H    THR  41           HN       THR  41  10.020  -1.733  -7.786
  299    HA   THR  41           HA       THR  41   7.420  -1.725  -6.379
  300    HB   THR  41           HB       THR  41   8.856  -4.065  -7.657
  301    HG1  THR  41           HG1      THR  41   8.403  -3.077  -9.439
  302   1HG2  THR  41          2HG2      THR  41   6.795  -4.191  -5.967
  303   2HG2  THR  41          1HG2      THR  41   5.891  -3.791  -7.428
  304   3HG2  THR  41          3HG2      THR  41   6.891  -5.243  -7.380
  305    H    VAL  42           HN       VAL  42   7.505  -1.888  -4.213
  306    HA   VAL  42           HA       VAL  42   9.596  -3.651  -2.999
  307    HB   VAL  42           HB       VAL  42   8.891  -2.345  -0.847
  308   1HG1  VAL  42          3HG1      VAL  42  10.985  -2.125  -2.558
  309   2HG1  VAL  42          2HG1      VAL  42  10.332  -0.488  -2.646
  310   3HG1  VAL  42          1HG1      VAL  42  10.815  -1.163  -1.089
  311   1HG2  VAL  42          2HG2      VAL  42   6.947  -1.200  -1.883
  312   2HG2  VAL  42          1HG2      VAL  42   8.131  -0.042  -1.276
  313   3HG2  VAL  42          3HG2      VAL  42   8.036  -0.384  -3.005
  314    H    ASN  43           HN       ASN  43   8.910  -5.153  -1.403
  315    HA   ASN  43           HA       ASN  43   6.298  -6.279  -1.786
  316   1HB   ASN  43          2HB       ASN  43   8.510  -7.350  -0.846
  317   2HB   ASN  43          1HB       ASN  43   7.906  -6.770   0.708
  318   1HD2  ASN  43          2HD2      ASN  43   6.451 -10.190  -0.632
  319   2HD2  ASN  43          1HD2      ASN  43   7.948  -9.520  -1.067
  320    H    LEU  44           HN       LEU  44   4.404  -5.978  -0.611
  321    HA   LEU  44           HA       LEU  44   3.926  -3.553   0.752
  322   1HB   LEU  44          2HB       LEU  44   2.247  -5.276  -0.209
  323   2HB   LEU  44          1HB       LEU  44   2.402  -6.102   1.337
  324    HG   LEU  44           HG       LEU  44   0.440  -4.539   1.207
  325   1HD1  LEU  44          3HD1      LEU  44   2.091  -5.048   3.306
  326   2HD1  LEU  44          2HD1      LEU  44   2.137  -3.286   3.275
  327   3HD1  LEU  44          1HD1      LEU  44   0.594  -4.125   3.429
  328   1HD2  LEU  44          3HD2      LEU  44   1.712  -2.804  -0.174
  329   2HD2  LEU  44          2HD2      LEU  44   0.737  -2.165   1.153
  330   3HD2  LEU  44          1HD2      LEU  44   2.486  -2.310   1.333
  331    H    LYS  45           HN       LYS  45   5.167  -6.607   1.941
  332    HA   LYS  45           HA       LYS  45   5.008  -5.705   4.754
  333   1HB   LYS  45          2HB       LYS  45   6.199  -8.240   3.579
  334   2HB   LYS  45          1HB       LYS  45   5.908  -7.923   5.290
  335   1HG   LYS  45          2HG       LYS  45   3.660  -8.289   5.115
  336   2HG   LYS  45          1HG       LYS  45   3.564  -7.565   3.510
  337   1HD   LYS  45          2HD       LYS  45   5.034  -9.758   2.924
  338   2HD   LYS  45          1HD       LYS  45   4.104 -10.382   4.287
  339   1HE   LYS  45          2HE       LYS  45   2.101  -9.186   2.981
  340   2HE   LYS  45          1HE       LYS  45   3.159  -9.480   1.602
  341   1HZ   LYS  45          2HZ       LYS  45   3.333 -11.834   2.591
  342   2HZ   LYS  45          1HZ       LYS  45   1.911 -11.427   3.425
  343   3HZ   LYS  45          3HZ       LYS  45   1.931 -11.411   1.730
  344    H    SER  46           HN       SER  46   6.464  -3.847   3.730
  345    HA   SER  46           HA       SER  46   9.226  -4.431   4.594
  346   1HB   SER  46          2HB       SER  46   8.819  -4.708   1.966
  347   2HB   SER  46          1HB       SER  46   8.966  -2.953   2.001
  348    HG   SER  46           HG       SER  46  10.824  -4.924   2.819
  349    H    ILE  47           HN       ILE  47   8.658  -2.990   6.319
  350    HA   ILE  47           HA       ILE  47   7.634  -0.334   5.843
  351    HB   ILE  47           HB       ILE  47   9.173  -1.334   8.252
  352   1HG1  ILE  47          2HG1      ILE  47   6.206  -1.439   7.589
  353   2HG1  ILE  47          1HG1      ILE  47   7.283  -2.823   7.745
  354   1HG2  ILE  47          1HG2      ILE  47   8.762   1.172   7.917
  355   2HG2  ILE  47          3HG2      ILE  47   7.042   0.811   8.068
  356   3HG2  ILE  47          2HG2      ILE  47   8.133   0.485   9.414
  357   1HD1  ILE  47          1HD1      ILE  47   7.746  -1.729  10.136
  358   2HD1  ILE  47          3HD1      ILE  47   6.131  -1.075   9.872
  359   3HD1  ILE  47          2HD1      ILE  47   6.386  -2.820   9.871
  360    H    MET  48           HN       MET  48  10.893  -1.667   6.305
  361    HA   MET  48           HA       MET  48  12.206   0.920   6.245
  362   1HB   MET  48          2HB       MET  48  13.191  -1.133   7.293
  363   2HB   MET  48          1HB       MET  48  13.373  -1.822   5.680
  364   1HG   MET  48          2HG       MET  48  15.482  -0.846   6.159
  365   2HG   MET  48          1HG       MET  48  14.680   0.312   5.098
  366   1HE   MET  48          2HE       MET  48  16.898   0.026   7.762
  367   2HE   MET  48          1HE       MET  48  17.081   1.374   6.643
  368   3HE   MET  48          3HE       MET  48  16.899   1.677   8.376
  369    H    GLY  49           HN       GLY  49  11.203  -1.430   3.840
  370   1HA   GLY  49          2HA       GLY  49  12.827  -0.354   1.686
  371   2HA   GLY  49          1HA       GLY  49  11.473  -1.468   1.499
  372    H    VAL  50           HN       VAL  50   9.596   0.281   2.948
  373    HA   VAL  50           HA       VAL  50   8.799   1.948   0.690
  374    HB   VAL  50           HB       VAL  50   7.618   1.821   3.483
  375   1HG1  VAL  50          3HG1      VAL  50   6.822   3.083   0.888
  376   2HG1  VAL  50          2HG1      VAL  50   5.550   2.413   1.911
  377   3HG1  VAL  50          1HG1      VAL  50   6.610   3.677   2.535
  378   1HG2  VAL  50          2HG2      VAL  50   7.817  -0.305   1.811
  379   2HG2  VAL  50          1HG2      VAL  50   6.437  -0.050   2.878
  380   3HG2  VAL  50          3HG2      VAL  50   6.342   0.430   1.184
  381    H    VAL  51           HN       VAL  51  10.272   2.458   3.855
  382    HA   VAL  51           HA       VAL  51  10.020   5.334   3.860
  383    HB   VAL  51           HB       VAL  51  12.103   3.623   5.258
  384   1HG1  VAL  51          2HG1      VAL  51  12.251   6.247   5.054
  385   2HG1  VAL  51          1HG1      VAL  51  10.972   6.217   6.269
  386   3HG1  VAL  51          3HG1      VAL  51  12.534   5.473   6.614
  387   1HG2  VAL  51          2HG2      VAL  51   9.409   3.333   5.553
  388   2HG2  VAL  51          1HG2      VAL  51  10.563   3.081   6.862
  389   3HG2  VAL  51          3HG2      VAL  51   9.717   4.623   6.716
  390    H    SER  52           HN       SER  52  12.416   3.067   2.600
  391    HA   SER  52           HA       SER  52  14.483   4.958   2.022
  392   1HB   SER  52          2HB       SER  52  15.290   3.254   0.414
  393   2HB   SER  52          1HB       SER  52  14.861   2.526   1.960
  394    HG   SER  52           HG       SER  52  13.473   1.370   0.905
  395    H    LEU  53           HN       LEU  53  11.581   3.985   0.265
  396    HA   LEU  53           HA       LEU  53  12.255   5.393  -2.179
  397   1HB   LEU  53          2HB       LEU  53   9.524   4.566  -1.145
  398   2HB   LEU  53          1HB       LEU  53   9.934   4.975  -2.811
  399    HG   LEU  53           HG       LEU  53  11.450   2.794  -1.407
  400   1HD1  LEU  53          1HD1      LEU  53   8.783   2.608  -1.370
  401   2HD1  LEU  53          3HD1      LEU  53   9.047   2.088  -3.034
  402   3HD1  LEU  53          2HD1      LEU  53   9.801   1.208  -1.704
  403   1HD2  LEU  53          3HD2      LEU  53  12.013   3.809  -3.708
  404   2HD2  LEU  53          2HD2      LEU  53  11.885   2.053  -3.623
  405   3HD2  LEU  53          1HD2      LEU  53  10.555   3.002  -4.286
  406    H    GLY  54           HN       GLY  54  10.384   6.176   0.733
  407   1HA   GLY  54          2HA       GLY  54   9.676   8.251   1.570
  408   2HA   GLY  54          1HA       GLY  54  10.855   8.994   0.487
  409    H    ILE  55           HN       ILE  55   7.611   7.495   0.458
  410    HA   ILE  55           HA       ILE  55   6.943   8.796  -2.087
  411    HB   ILE  55           HB       ILE  55   5.012   7.429  -0.189
  412   1HG1  ILE  55          2HG1      ILE  55   6.691   6.155  -2.382
  413   2HG1  ILE  55          1HG1      ILE  55   6.987   5.959  -0.657
  414   1HG2  ILE  55          2HG2      ILE  55   4.218   8.795  -2.196
  415   2HG2  ILE  55          1HG2      ILE  55   5.005   7.585  -3.211
  416   3HG2  ILE  55          3HG2      ILE  55   3.678   7.116  -2.148
  417   1HD1  ILE  55          1HD1      ILE  55   4.267   5.358  -0.978
  418   2HD1  ILE  55          3HD1      ILE  55   5.062   4.595  -2.354
  419   3HD1  ILE  55          2HD1      ILE  55   5.572   4.205  -0.712
  420    H    ALA  56           HN       ALA  56   5.353  10.455  -2.321
  421    HA   ALA  56           HA       ALA  56   4.616  11.896   0.185
  422   1HB   ALA  56          1HB       ALA  56   6.670  12.741  -1.396
  423   2HB   ALA  56          3HB       ALA  56   5.315  13.594  -2.135
  424   3HB   ALA  56          2HB       ALA  56   5.671  13.822  -0.422
  425    H    LYS  57           HN       LYS  57   2.958  13.689  -0.397
  426    HA   LYS  57           HA       LYS  57   0.643  12.537  -1.498
  427   1HB   LYS  57          2HB       LYS  57  -0.382  14.685  -1.336
  428   2HB   LYS  57          1HB       LYS  57   0.797  14.620  -0.034
  429   1HG   LYS  57          2HG       LYS  57   1.315  15.925  -2.729
  430   2HG   LYS  57          1HG       LYS  57   0.803  16.797  -1.288
  431   1HD   LYS  57          2HD       LYS  57   2.835  15.822  -0.113
  432   2HD   LYS  57          1HD       LYS  57   3.382  15.273  -1.698
  433   1HE   LYS  57          2HE       LYS  57   4.389  17.446  -1.172
  434   2HE   LYS  57          1HE       LYS  57   3.274  17.609  -2.527
  435   1HZ   LYS  57          3HZ       LYS  57   2.304  18.032   0.215
  436   2HZ   LYS  57          2HZ       LYS  57   3.162  19.272  -0.569
  437   3HZ   LYS  57          1HZ       LYS  57   1.719  18.676  -1.241
  438    H    GLY  58           HN       GLY  58  -0.534  13.099  -3.499
  439   1HA   GLY  58          2HA       GLY  58  -0.664  13.303  -5.834
  440   2HA   GLY  58          1HA       GLY  58   0.714  14.401  -5.724
  441    H    ALA  59           HN       ALA  59   0.563  10.994  -4.732
  442    HA   ALA  59           HA       ALA  59   2.613  10.395  -6.831
  443   1HB   ALA  59          3HB       ALA  59   3.523  10.474  -4.478
  444   2HB   ALA  59          2HB       ALA  59   2.451   9.131  -4.080
  445   3HB   ALA  59          1HB       ALA  59   3.729   8.915  -5.277
  446    H    GLU  60           HN       GLU  60   1.858   8.920  -8.256
  447    HA   GLU  60           HA       GLU  60  -0.538   7.334  -7.617
  448   1HB   GLU  60          2HB       GLU  60   1.182   7.379 -10.119
  449   2HB   GLU  60          1HB       GLU  60  -0.401   6.616  -9.966
  450   1HG   GLU  60          2HG       GLU  60  -1.521   8.609 -10.043
  451   2HG   GLU  60          1HG       GLU  60  -0.255   9.473  -9.169
  452    H    ILE  61           HN       ILE  61  -0.513   5.203  -7.038
  453    HA   ILE  61           HA       ILE  61   2.072   3.717  -7.287
  454    HB   ILE  61           HB       ILE  61   1.439   2.583  -5.118
  455   1HG1  ILE  61          2HG1      ILE  61  -0.565   4.865  -4.997
  456   2HG1  ILE  61          1HG1      ILE  61  -0.975   3.162  -5.197
  457   1HG2  ILE  61          2HG2      ILE  61   1.841   5.592  -5.063
  458   2HG2  ILE  61          1HG2      ILE  61   2.155   4.501  -3.714
  459   3HG2  ILE  61          3HG2      ILE  61   3.116   4.378  -5.187
  460   1HD1  ILE  61          1HD1      ILE  61   0.617   3.049  -2.980
  461   2HD1  ILE  61          3HD1      ILE  61  -0.143   4.627  -2.765
  462   3HD1  ILE  61          2HD1      ILE  61  -1.140   3.181  -2.924
  463    H    THR  62           HN       THR  62   1.733   1.311  -7.265
  464    HA   THR  62           HA       THR  62  -0.987   0.479  -8.141
  465    HB   THR  62           HB       THR  62   1.418  -0.516  -9.645
  466    HG1  THR  62           HG1      THR  62   1.612   1.299 -10.664
  467   1HG2  THR  62          1HG2      THR  62  -1.544  -0.426  -9.957
  468   2HG2  THR  62          3HG2      THR  62  -0.575  -0.325 -11.426
  469   3HG2  THR  62          2HG2      THR  62  -0.409  -1.716 -10.356
  470    H    ILE  63           HN       ILE  63  -1.483  -1.063  -6.665
  471    HA   ILE  63           HA       ILE  63   0.643  -2.805  -5.566
  472    HB   ILE  63           HB       ILE  63  -2.303  -2.519  -4.879
  473   1HG1  ILE  63          2HG1      ILE  63   0.184  -1.673  -3.360
  474   2HG1  ILE  63          1HG1      ILE  63  -0.809  -0.582  -4.327
  475   1HG2  ILE  63          2HG2      ILE  63  -0.110  -4.261  -3.742
  476   2HG2  ILE  63          1HG2      ILE  63  -1.512  -3.793  -2.778
  477   3HG2  ILE  63          3HG2      ILE  63  -1.732  -4.734  -4.255
  478   1HD1  ILE  63          3HD1      ILE  63  -2.766  -1.597  -2.847
  479   2HD1  ILE  63          2HD1      ILE  63  -1.442  -1.917  -1.726
  480   3HD1  ILE  63          1HD1      ILE  63  -1.776  -0.266  -2.249
  481    H    SER  64           HN       SER  64   0.205  -5.188  -5.485
  482    HA   SER  64           HA       SER  64  -1.632  -6.226  -7.549
  483   1HB   SER  64          2HB       SER  64   0.382  -7.631  -8.427
  484   2HB   SER  64          1HB       SER  64   0.202  -5.971  -8.987
  485    HG   SER  64           HG       SER  64   1.755  -5.333  -7.538
  486    H    ALA  65           HN       ALA  65  -2.726  -7.548  -6.143
  487    HA   ALA  65           HA       ALA  65  -1.231  -9.209  -4.206
  488   1HB   ALA  65          2HB       ALA  65  -3.433  -8.044  -3.661
  489   2HB   ALA  65          1HB       ALA  65  -4.214  -9.207  -4.731
  490   3HB   ALA  65          3HB       ALA  65  -3.374  -9.766  -3.285
  491    H    SER  66           HN       SER  66  -0.534 -11.210  -4.800
  492    HA   SER  66           HA       SER  66  -2.107 -12.701  -6.856
  493   1HB   SER  66          2HB       SER  66   0.553 -11.678  -7.119
  494   2HB   SER  66          1HB       SER  66   0.647 -13.435  -7.069
  495    HG   SER  66           HG       SER  66   0.168 -12.219  -9.162
  496    H    GLY  67           HN       GLY  67  -2.933 -14.397  -5.722
  497   1HA   GLY  67          2HA       GLY  67  -1.340 -16.499  -4.710
  498   2HA   GLY  67          1HA       GLY  67  -1.775 -15.484  -3.334
  499    H    ALA  68           HN       ALA  68  -3.128 -17.107  -2.423
  500    HA   ALA  68           HA       ALA  68  -5.306 -18.301  -3.939
  501   1HB   ALA  68          3HB       ALA  68  -4.442 -18.291  -1.064
  502   2HB   ALA  68          2HB       ALA  68  -6.068 -18.844  -1.470
  503   3HB   ALA  68          1HB       ALA  68  -4.662 -19.658  -2.156
  504    H    ASP  69           HN       ASP  69  -5.412 -16.182  -1.055
  505    HA   ASP  69           HA       ASP  69  -8.032 -15.146  -2.009
  506   1HB   ASP  69          2HB       ASP  69  -8.171 -14.181   0.308
  507   2HB   ASP  69          1HB       ASP  69  -8.031 -15.937   0.285
  508    H    GLU  70           HN       GLU  70  -5.926 -14.230  -3.521
  509    HA   GLU  70           HA       GLU  70  -4.626 -11.865  -2.647
  510   1HB   GLU  70          2HB       GLU  70  -4.422 -11.321  -5.063
  511   2HB   GLU  70          1HB       GLU  70  -3.988 -12.995  -4.718
  512   1HG   GLU  70          2HG       GLU  70  -6.551 -13.431  -5.220
  513   2HG   GLU  70          1HG       GLU  70  -6.414 -11.915  -6.108
  514    H    ASN  71           HN       ASN  71  -7.817 -12.291  -4.174
  515    HA   ASN  71           HA       ASN  71  -8.437  -9.520  -4.461
  516   1HB   ASN  71          2HB       ASN  71 -10.071 -12.031  -4.258
  517   2HB   ASN  71          1HB       ASN  71 -10.877 -10.462  -4.225
  518   1HD2  ASN  71          2HD2      ASN  71  -9.293 -11.845  -7.711
  519   2HD2  ASN  71          1HD2      ASN  71  -9.108 -12.715  -6.265
  520    H    ASP  72           HN       ASP  72  -8.606 -11.688  -1.704
  521    HA   ASP  72           HA       ASP  72 -10.228  -9.919  -0.069
  522   1HB   ASP  72          2HB       ASP  72  -8.436 -12.250   0.658
  523   2HB   ASP  72          1HB       ASP  72  -9.495 -11.419   1.796
  524    H    ALA  73           HN       ALA  73  -6.820 -10.197  -0.785
  525    HA   ALA  73           HA       ALA  73  -5.964  -8.638   1.531
  526   1HB   ALA  73          2HB       ALA  73  -4.541  -9.547  -0.979
  527   2HB   ALA  73          1HB       ALA  73  -3.755  -8.630   0.306
  528   3HB   ALA  73          3HB       ALA  73  -4.405 -10.235   0.640
  529    H    LEU  74           HN       LEU  74  -6.494  -7.963  -1.944
  530    HA   LEU  74           HA       LEU  74  -5.449  -5.300  -1.843
  531   1HB   LEU  74          2HB       LEU  74  -6.504  -4.946  -3.996
  532   2HB   LEU  74          1HB       LEU  74  -5.825  -6.567  -3.956
  533    HG   LEU  74           HG       LEU  74  -8.248  -7.223  -3.127
  534   1HD1  LEU  74          3HD1      LEU  74  -8.592  -4.472  -3.563
  535   2HD1  LEU  74          2HD1      LEU  74  -9.318  -5.232  -4.978
  536   3HD1  LEU  74          1HD1      LEU  74  -9.873  -5.665  -3.361
  537   1HD2  LEU  74          1HD2      LEU  74  -7.037  -7.879  -5.256
  538   2HD2  LEU  74          3HD2      LEU  74  -8.792  -7.791  -5.400
  539   3HD2  LEU  74          2HD2      LEU  74  -7.791  -6.482  -6.025
  540    H    ASN  75           HN       ASN  75  -8.774  -6.529  -1.389
  541    HA   ASN  75           HA       ASN  75  -9.873  -3.866  -1.051
  542   1HB   ASN  75          2HB       ASN  75 -11.911  -4.987  -0.295
  543   2HB   ASN  75          1HB       ASN  75 -11.280  -5.808  -1.719
  544   1HD2  ASN  75          2HD2      ASN  75 -11.923  -7.998   1.508
  545   2HD2  ASN  75          1HD2      ASN  75 -12.676  -6.517   1.162
  546    H    ALA  76           HN       ALA  76  -8.350  -6.201   1.071
  547    HA   ALA  76           HA       ALA  76  -9.229  -5.182   3.587
  548   1HB   ALA  76          2HB       ALA  76  -7.685  -7.261   2.889
  549   2HB   ALA  76          1HB       ALA  76  -6.410  -6.120   3.315
  550   3HB   ALA  76          3HB       ALA  76  -7.630  -6.565   4.507
  551    H    LEU  77           HN       LEU  77  -6.050  -4.569   2.034
  552    HA   LEU  77           HA       LEU  77  -5.375  -2.362   3.702
  553   1HB   LEU  77          2HB       LEU  77  -4.484  -2.779   0.838
  554   2HB   LEU  77          1HB       LEU  77  -3.635  -1.880   2.095
  555    HG   LEU  77           HG       LEU  77  -4.158  -4.503   3.122
  556   1HD1  LEU  77          1HD1      LEU  77  -4.156  -4.725   0.409
  557   2HD1  LEU  77          3HD1      LEU  77  -2.433  -4.894   0.748
  558   3HD1  LEU  77          2HD1      LEU  77  -3.593  -5.992   1.497
  559   1HD2  LEU  77          1HD2      LEU  77  -2.276  -2.945   3.684
  560   2HD2  LEU  77          3HD2      LEU  77  -1.733  -4.581   3.312
  561   3HD2  LEU  77          2HD2      LEU  77  -1.562  -3.300   2.112
  562    H    GLU  78           HN       GLU  78  -7.431  -2.573   0.877
  563    HA   GLU  78           HA       GLU  78  -7.402   0.153   0.061
  564   1HB   GLU  78          2HB       GLU  78  -8.464  -1.681  -1.235
  565   2HB   GLU  78          1HB       GLU  78  -9.730  -1.790  -0.016
  566   1HG   GLU  78          2HG       GLU  78  -9.311   0.946  -1.012
  567   2HG   GLU  78          1HG       GLU  78  -9.824  -0.184  -2.264
  568    H    GLU  79           HN       GLU  79  -9.734  -1.473   2.282
  569    HA   GLU  79           HA       GLU  79 -11.079   0.941   3.001
  570   1HB   GLU  79          2HB       GLU  79 -12.051  -0.304   4.836
  571   2HB   GLU  79          1HB       GLU  79 -11.958  -1.371   3.440
  572   1HG   GLU  79          2HG       GLU  79  -9.505  -1.702   4.782
  573   2HG   GLU  79          1HG       GLU  79 -10.718  -1.653   6.055
  574    H    THR  80           HN       THR  80  -8.080  -0.478   4.119
  575    HA   THR  80           HA       THR  80  -7.813   1.029   6.554
  576    HB   THR  80           HB       THR  80  -5.444   0.254   4.871
  577    HG1  THR  80           HG1      THR  80  -5.721  -1.871   5.621
  578   1HG2  THR  80          1HG2      THR  80  -6.134   0.564   7.762
  579   2HG2  THR  80          3HG2      THR  80  -4.888  -0.604   7.323
  580   3HG2  THR  80          2HG2      THR  80  -4.696   1.095   6.890
  581    H    MET  81           HN       MET  81  -7.018   1.684   3.178
  582    HA   MET  81           HA       MET  81  -5.574   4.139   3.683
  583   1HB   MET  81          2HB       MET  81  -6.657   2.701   1.318
  584   2HB   MET  81          1HB       MET  81  -6.445   4.440   1.136
  585   1HG   MET  81          2HG       MET  81  -4.117   3.405   2.455
  586   2HG   MET  81          1HG       MET  81  -4.443   2.385   1.055
  587   1HE   MET  81          1HE       MET  81  -2.764   2.591  -0.043
  588   2HE   MET  81          3HE       MET  81  -2.734   3.681  -1.438
  589   3HE   MET  81          2HE       MET  81  -1.675   3.977  -0.061
  590    H    LYS  82           HN       LYS  82  -8.956   3.301   3.289
  591    HA   LYS  82           HA       LYS  82  -9.832   6.065   2.908
  592   1HB   LYS  82          2HB       LYS  82 -11.269   3.455   3.414
  593   2HB   LYS  82          1HB       LYS  82 -12.125   4.996   3.348
  594   1HG   LYS  82          2HG       LYS  82 -11.797   5.241   1.091
  595   2HG   LYS  82          1HG       LYS  82 -10.228   4.437   1.126
  596   1HD   LYS  82          2HD       LYS  82 -11.132   2.358   0.825
  597   2HD   LYS  82          1HD       LYS  82 -12.562   2.729   1.790
  598   1HE   LYS  82          2HE       LYS  82 -13.411   2.550  -0.403
  599   2HE   LYS  82          1HE       LYS  82 -13.224   4.289  -0.174
  600   1HZ   LYS  82          3HZ       LYS  82 -10.986   4.051  -1.211
  601   2HZ   LYS  82          2HZ       LYS  82 -11.393   2.449  -1.608
  602   3HZ   LYS  82          1HZ       LYS  82 -12.283   3.742  -2.261
  603    H    SER  83           HN       SER  83  -9.261   3.931   5.619
  604    HA   SER  83           HA       SER  83 -10.829   5.532   7.503
  605   1HB   SER  83          2HB       SER  83  -9.491   4.047   9.178
  606   2HB   SER  83          1HB       SER  83 -10.691   3.278   8.143
  607    HG   SER  83           HG       SER  83  -8.224   2.599   8.336
  608    H    GLU  84           HN       GLU  84  -7.330   4.751   7.366
  609    HA   GLU  84           HA       GLU  84  -6.534   6.849   9.125
  610   1HB   GLU  84          2HB       GLU  84  -4.931   5.556   6.897
  611   2HB   GLU  84          1HB       GLU  84  -4.268   6.462   8.256
  612   1HG   GLU  84          2HG       GLU  84  -6.106   4.218   8.922
  613   2HG   GLU  84          1HG       GLU  84  -4.515   3.780   8.298
  614    H    GLY  85           HN       GLY  85  -7.199   6.818   5.679
  615   1HA   GLY  85          2HA       GLY  85  -7.716   8.755   4.376
  616   2HA   GLY  85          1HA       GLY  85  -7.032   9.767   5.651
  617    H    LEU  86           HN       LEU  86  -5.518   6.975   4.068
  618    HA   LEU  86           HA       LEU  86  -3.104   8.552   3.556
  619   1HB   LEU  86          2HB       LEU  86  -3.823   5.688   2.873
  620   2HB   LEU  86          1HB       LEU  86  -2.232   6.410   2.634
  621    HG   LEU  86           HG       LEU  86  -3.655   6.253   5.306
  622   1HD1  LEU  86          2HD1      LEU  86  -2.784   4.078   4.113
  623   2HD1  LEU  86          1HD1      LEU  86  -1.197   4.696   4.574
  624   3HD1  LEU  86          3HD1      LEU  86  -2.403   4.354   5.813
  625   1HD2  LEU  86          2HD2      LEU  86  -0.878   7.121   4.451
  626   2HD2  LEU  86          1HD2      LEU  86  -2.109   8.110   5.236
  627   3HD2  LEU  86          3HD2      LEU  86  -1.324   6.808   6.128
  628    H    GLY  87           HN       GLY  87  -5.782   7.198   1.688
  629   1HA   GLY  87          2HA       GLY  87  -5.710   9.053  -0.401
  630   2HA   GLY  87          1HA       GLY  87  -4.635   7.750  -0.910
  631    H    GLU  88           HN       GLU  88  -6.635   7.908  -2.563
  632    HA   GLU  88           HA       GLU  88  -8.440   5.669  -1.793
  633   1HB   GLU  88          2HB       GLU  88 -10.336   6.873  -2.910
  634   2HB   GLU  88          1HB       GLU  88  -9.773   7.674  -1.443
  635   1HG   GLU  88          2HG       GLU  88  -8.495   8.461  -4.024
  636   2HG   GLU  88          1HG       GLU  88 -10.136   9.029  -3.716
   
  No H/Q in entry =         636
  Start of MODEL   14
    1   1H    ALA   2          3HT       ALA   2  -6.388  -8.649 -10.624
    2   2H    ALA   2          2HT       ALA   2  -5.419  -9.871  -9.951
    3   3H    ALA   2          1HT       ALA   2  -7.055 -10.173 -10.296
    4    HA   ALA   2           HA       ALA   2  -7.796  -8.741  -8.587
    5   1HB   ALA   2          1HB       ALA   2  -5.573 -10.632  -7.850
    6   2HB   ALA   2          3HB       ALA   2  -6.422  -9.716  -6.604
    7   3HB   ALA   2          2HB       ALA   2  -7.312 -10.833  -7.638
    8    H    GLN   3           HN       GLN   3  -4.706  -7.933  -9.779
    9    HA   GLN   3           HA       GLN   3  -3.633  -6.383  -7.648
   10   1HB   GLN   3          2HB       GLN   3  -2.495  -5.087  -9.513
   11   2HB   GLN   3          1HB       GLN   3  -2.231  -6.827  -9.542
   12   1HG   GLN   3          2HG       GLN   3  -4.631  -6.189 -11.025
   13   2HG   GLN   3          1HG       GLN   3  -3.293  -5.208 -11.615
   14   1HE2  GLN   3          2HE2      GLN   3  -3.378  -8.689 -13.218
   15   2HE2  GLN   3          1HE2      GLN   3  -4.631  -7.581 -12.925
   16    H    LYS   4           HN       LYS   4  -3.784  -4.124  -7.217
   17    HA   LYS   4           HA       LYS   4  -6.078  -2.713  -8.514
   18   1HB   LYS   4          2HB       LYS   4  -6.767  -3.687  -6.307
   19   2HB   LYS   4          1HB       LYS   4  -5.509  -2.722  -5.535
   20   1HG   LYS   4          2HG       LYS   4  -6.610  -0.716  -5.937
   21   2HG   LYS   4          1HG       LYS   4  -7.480  -1.353  -7.332
   22   1HD   LYS   4          2HD       LYS   4  -8.079  -2.688  -4.755
   23   2HD   LYS   4          1HD       LYS   4  -8.614  -1.012  -4.877
   24   1HE   LYS   4          2HE       LYS   4  -9.159  -2.718  -7.244
   25   2HE   LYS   4          1HE       LYS   4 -10.083  -3.095  -5.790
   26   1HZ   LYS   4          3HZ       LYS   4 -10.707  -0.742  -5.658
   27   2HZ   LYS   4          2HZ       LYS   4  -9.886  -0.446  -7.115
   28   3HZ   LYS   4          1HZ       LYS   4 -11.245  -1.465  -7.095
   29    H    THR   5           HN       THR   5  -5.962  -0.323  -8.145
   30    HA   THR   5           HA       THR   5  -3.141   0.592  -7.729
   31    HB   THR   5           HB       THR   5  -5.159   1.802  -9.642
   32    HG1  THR   5           HG1      THR   5  -2.973   0.054 -10.092
   33   1HG2  THR   5          1HG2      THR   5  -3.366   3.293  -8.722
   34   2HG2  THR   5          3HG2      THR   5  -2.165   2.192  -9.398
   35   3HG2  THR   5          2HG2      THR   5  -3.262   3.066 -10.467
   36    H    PHE   6           HN       PHE   6  -2.906   2.281  -6.303
   37    HA   PHE   6           HA       PHE   6  -5.412   3.586  -5.313
   38   1HB   PHE   6          2HB       PHE   6  -2.885   2.845  -3.810
   39   2HB   PHE   6          1HB       PHE   6  -4.172   3.847  -3.139
   40    HD1  PHE   6          1HD       PHE   6  -3.480   0.494  -4.630
   41    HD2  PHE   6          2HD       PHE   6  -6.108   2.873  -2.205
   42    HE1  PHE   6          1HE       PHE   6  -4.738  -1.547  -3.994
   43    HE2  PHE   6          2HE       PHE   6  -7.367   0.831  -1.570
   44    HZ   PHE   6           HZ       PHE   6  -6.683  -1.377  -2.464
   45    H    LYS   7           HN       LYS   7  -5.065   5.816  -4.485
   46    HA   LYS   7           HA       LYS   7  -2.793   7.177  -5.886
   47   1HB   LYS   7          2HB       LYS   7  -5.652   8.101  -5.471
   48   2HB   LYS   7          1HB       LYS   7  -4.356   9.171  -6.004
   49   1HG   LYS   7          2HG       LYS   7  -5.160   6.614  -7.423
   50   2HG   LYS   7          1HG       LYS   7  -5.676   8.231  -7.907
   51   1HD   LYS   7          2HD       LYS   7  -3.013   8.650  -7.760
   52   2HD   LYS   7          1HD       LYS   7  -3.012   6.935  -8.172
   53   1HE   LYS   7          2HE       LYS   7  -4.932   7.983  -9.882
   54   2HE   LYS   7          1HE       LYS   7  -3.703   9.246  -9.837
   55   1HZ   LYS   7          1HZ       LYS   7  -2.041   7.449 -10.247
   56   2HZ   LYS   7          3HZ       LYS   7  -3.333   6.392 -10.540
   57   3HZ   LYS   7          2HZ       LYS   7  -3.101   7.747 -11.539
   58    H    VAL   8           HN       VAL   8  -1.429   8.163  -4.497
   59    HA   VAL   8           HA       VAL   8  -2.152   8.422  -1.662
   60    HB   VAL   8           HB       VAL   8   0.398   9.427  -2.940
   61   1HG1  VAL   8          3HG1      VAL   8  -0.381   9.786  -0.454
   62   2HG1  VAL   8          2HG1      VAL   8   0.098   8.099  -0.264
   63   3HG1  VAL   8          1HG1      VAL   8   1.283   9.299  -0.784
   64   1HG2  VAL   8          2HG2      VAL   8  -0.297   6.595  -2.087
   65   2HG2  VAL   8          1HG2      VAL   8   0.129   7.126  -3.714
   66   3HG2  VAL   8          3HG2      VAL   8   1.340   7.155  -2.432
   67    H    THR   9           HN       THR   9  -3.134  10.217  -0.886
   68    HA   THR   9           HA       THR   9  -2.506  12.840  -2.171
   69    HB   THR   9           HB       THR   9  -5.252  12.279  -1.091
   70    HG1  THR   9           HG1      THR   9  -5.852  11.501  -3.082
   71   1HG2  THR   9          3HG2      THR   9  -4.178  14.557  -1.918
   72   2HG2  THR   9          2HG2      THR   9  -4.585  13.913  -3.508
   73   3HG2  THR   9          1HG2      THR   9  -5.851  14.159  -2.306
   74    H    ALA  10           HN       ALA  10  -1.857  11.270   0.491
   75    HA   ALA  10           HA       ALA  10  -2.993  12.980   2.551
   76   1HB   ALA  10          2HB       ALA  10  -2.337  10.632   3.007
   77   2HB   ALA  10          1HB       ALA  10  -0.655  11.054   2.691
   78   3HB   ALA  10          3HB       ALA  10  -1.498  11.760   4.069
   79    H    ASP  11           HN       ASP  11  -1.933  14.664   3.649
   80    HA   ASP  11           HA       ASP  11  -0.068  16.241   2.166
   81   1HB   ASP  11          2HB       ASP  11  -1.640  17.065   3.977
   82   2HB   ASP  11          1HB       ASP  11  -0.529  16.369   5.158
   83    H    SER  12           HN       SER  12   0.355  13.713   4.564
   84    HA   SER  12           HA       SER  12   3.246  14.271   4.821
   85   1HB   SER  12          2HB       SER  12   3.017  12.017   6.188
   86   2HB   SER  12          1HB       SER  12   2.448  13.533   6.877
   87    HG   SER  12           HG       SER  12   0.764  12.156   7.080
   88    H    GLY  13           HN       GLY  13   1.063  12.038   3.211
   89   1HA   GLY  13          2HA       GLY  13   1.642  10.836   1.209
   90   2HA   GLY  13          1HA       GLY  13   3.348  11.030   1.615
   91    H    ILE  14           HN       ILE  14   3.772   8.773   1.406
   92    HA   ILE  14           HA       ILE  14   2.469   7.047   3.473
   93    HB   ILE  14           HB       ILE  14   3.927   6.178   0.960
   94   1HG1  ILE  14          2HG1      ILE  14   0.944   6.282   1.517
   95   2HG1  ILE  14          1HG1      ILE  14   1.811   7.446   0.514
   96   1HG2  ILE  14          3HG2      ILE  14   3.651   4.675   3.107
   97   2HG2  ILE  14          2HG2      ILE  14   1.983   4.530   2.552
   98   3HG2  ILE  14          1HG2      ILE  14   3.307   3.998   1.516
   99   1HD1  ILE  14          3HD1      ILE  14   2.043   4.502  -0.057
  100   2HD1  ILE  14          2HD1      ILE  14   0.648   5.409  -0.642
  101   3HD1  ILE  14          1HD1      ILE  14   2.273   5.865  -1.152
  102   1HN   HIP  15           HN       HIP  15   3.905   7.583   5.167
  103    HA   HIP  15           HA       HIP  15   6.768   6.975   4.710
  104   1HB   HIP  15          1HB       HIP  15   6.343   9.188   5.628
  105   2HB   HIP  15          2HB       HIP  15   7.186   8.211   6.810
  106    HD2  HIP  15          2HD       HIP  15   3.384   9.172   6.180
  107    HE2  HIP  15          2HE       HIP  15   2.343   9.452   8.547
  108    HE1  HIP  15          1HE       HIP  15   4.061   8.931  10.328
  109    H    ALA  16           HN       ALA  16   7.471   6.376   7.393
  110    HA   ALA  16           HA       ALA  16   7.064   3.590   7.446
  111   1HB   ALA  16          1HB       ALA  16   8.687   5.307   8.773
  112   2HB   ALA  16          3HB       ALA  16   7.578   4.847  10.066
  113   3HB   ALA  16          2HB       ALA  16   8.490   3.608   9.202
  114    H    ARG  17           HN       ARG  17   5.313   6.049   9.430
  115    HA   ARG  17           HA       ARG  17   3.889   4.240  11.046
  116   1HB   ARG  17          2HB       ARG  17   3.865   6.964  10.755
  117   2HB   ARG  17          1HB       ARG  17   2.259   6.532  10.173
  118   1HG   ARG  17          2HG       ARG  17   1.746   5.373  12.221
  119   2HG   ARG  17          1HG       ARG  17   3.409   5.528  12.786
  120   1HD   ARG  17          2HD       ARG  17   2.211   7.244  13.919
  121   2HD   ARG  17          1HD       ARG  17   3.064   8.065  12.613
  122    HE   ARG  17           HE       ARG  17   0.462   7.281  11.704
  123   1HH1  ARG  17          HH21      ARG  17   1.848  10.007  11.472
  124   2HH1  ARG  17          HH22      ARG  17   0.758  11.003  12.377
  125   1HH2  ARG  17          HH11      ARG  17  -0.853   8.329  13.888
  126   2HH2  ARG  17          HH12      ARG  17  -0.771  10.054  13.744
  127    HA   PRO  18           HA       PRO  18   0.340   3.935   7.862
  128   1HB   PRO  18          2HB       PRO  18   0.832   4.797   5.290
  129   2HB   PRO  18          1HB       PRO  18   0.057   5.791   6.538
  130   1HG   PRO  18          2HG       PRO  18   2.869   5.902   5.515
  131   2HG   PRO  18          1HG       PRO  18   1.846   7.212   6.130
  132   1HD   PRO  18          2HD       PRO  18   3.873   5.993   7.592
  133   2HD   PRO  18          1HD       PRO  18   2.514   6.872   8.305
  134    H    ALA  19           HN       ALA  19   3.682   3.476   6.954
  135    HA   ALA  19           HA       ALA  19   3.199   1.277   5.106
  136   1HB   ALA  19          1HB       ALA  19   5.660   2.281   6.555
  137   2HB   ALA  19          3HB       ALA  19   5.691   0.865   5.506
  138   3HB   ALA  19          2HB       ALA  19   5.272   2.445   4.842
  139    H    THR  20           HN       THR  20   3.392   1.638   8.561
  140    HA   THR  20           HA       THR  20   3.978  -1.180   9.090
  141    HB   THR  20           HB       THR  20   2.796   0.668  11.134
  142    HG1  THR  20           HG1      THR  20   4.796   1.645  11.381
  143   1HG2  THR  20          2HG2      THR  20   4.664  -1.661  11.018
  144   2HG2  THR  20          1HG2      THR  20   4.863  -0.500  12.330
  145   3HG2  THR  20          3HG2      THR  20   3.330  -1.348  12.127
  146    H    VAL  21           HN       VAL  21   1.175   0.913   8.798
  147    HA   VAL  21           HA       VAL  21  -0.750  -0.915   9.945
  148    HB   VAL  21           HB       VAL  21  -1.286   1.161   7.832
  149   1HG1  VAL  21          3HG1      VAL  21  -2.932  -0.112  10.029
  150   2HG1  VAL  21          2HG1      VAL  21  -3.464   1.300   9.116
  151   3HG1  VAL  21          1HG1      VAL  21  -3.192  -0.234   8.289
  152   1HG2  VAL  21          3HG2      VAL  21  -0.742   1.453  10.782
  153   2HG2  VAL  21          2HG2      VAL  21  -0.126   2.426   9.448
  154   3HG2  VAL  21          1HG2      VAL  21  -1.807   2.592   9.956
  155    H    LEU  22           HN       LEU  22   0.582  -0.381   6.756
  156    HA   LEU  22           HA       LEU  22  -1.253  -2.156   5.386
  157   1HB   LEU  22          2HB       LEU  22   1.397  -0.914   4.618
  158   2HB   LEU  22          1HB       LEU  22   0.390  -1.846   3.505
  159    HG   LEU  22           HG       LEU  22  -0.964   0.332   5.021
  160   1HD1  LEU  22          2HD1      LEU  22   1.351   1.169   4.185
  161   2HD1  LEU  22          1HD1      LEU  22   0.660   1.015   2.570
  162   3HD1  LEU  22          3HD1      LEU  22  -0.076   2.107   3.743
  163   1HD2  LEU  22          2HD2      LEU  22  -1.038  -0.855   2.234
  164   2HD2  LEU  22          1HD2      LEU  22  -2.301  -0.887   3.467
  165   3HD2  LEU  22          3HD2      LEU  22  -1.916   0.623   2.639
  166    H    VAL  23           HN       VAL  23   2.192  -2.436   6.358
  167    HA   VAL  23           HA       VAL  23   2.635  -5.062   5.397
  168    HB   VAL  23           HB       VAL  23   4.447  -3.609   6.222
  169   1HG1  VAL  23          2HG1      VAL  23   3.105  -2.673   8.126
  170   2HG1  VAL  23          1HG1      VAL  23   3.363  -4.188   8.992
  171   3HG1  VAL  23          3HG1      VAL  23   4.737  -3.163   8.580
  172   1HG2  VAL  23          3HG2      VAL  23   4.325  -6.315   6.492
  173   2HG2  VAL  23          2HG2      VAL  23   5.755  -5.366   6.898
  174   3HG2  VAL  23          1HG2      VAL  23   4.628  -5.851   8.165
  175    H    GLN  24           HN       GLN  24   0.900  -3.975   8.239
  176    HA   GLN  24           HA       GLN  24   0.893  -6.538   9.598
  177   1HB   GLN  24          2HB       GLN  24  -0.737  -4.012   9.883
  178   2HB   GLN  24          1HB       GLN  24  -1.064  -5.443  10.857
  179   1HG   GLN  24          2HG       GLN  24   1.761  -4.961  10.916
  180   2HG   GLN  24          1HG       GLN  24   0.939  -3.443  11.273
  181   1HE2  GLN  24          2HE2      GLN  24  -0.051  -6.577  13.754
  182   2HE2  GLN  24          1HE2      GLN  24   0.056  -6.850  12.083
  183    H    THR  25           HN       THR  25  -1.654  -4.776   7.792
  184    HA   THR  25           HA       THR  25  -3.574  -6.873   7.867
  185    HB   THR  25           HB       THR  25  -3.336  -4.957   5.552
  186    HG1  THR  25           HG1      THR  25  -4.249  -3.399   6.872
  187   1HG2  THR  25          1HG2      THR  25  -5.574  -6.294   7.077
  188   2HG2  THR  25          3HG2      THR  25  -5.860  -4.932   5.994
  189   3HG2  THR  25          2HG2      THR  25  -5.188  -6.436   5.362
  190    H    ALA  26           HN       ALA  26  -1.533  -5.937   5.069
  191    HA   ALA  26           HA       ALA  26  -2.141  -8.150   3.437
  192   1HB   ALA  26          1HB       ALA  26   0.123  -6.220   3.606
  193   2HB   ALA  26          3HB       ALA  26   0.371  -7.673   2.638
  194   3HB   ALA  26          2HB       ALA  26  -0.956  -6.574   2.256
  195    H    SER  27           HN       SER  27   0.010  -7.972   6.198
  196    HA   SER  27           HA       SER  27   1.603 -10.285   5.657
  197   1HB   SER  27          2HB       SER  27   2.348  -8.900   7.431
  198   2HB   SER  27          1HB       SER  27   0.767  -8.895   8.205
  199    HG   SER  27           HG       SER  27   2.692 -10.959   8.060
  200    H    LYS  28           HN       LYS  28  -1.526  -9.903   7.303
  201    HA   LYS  28           HA       LYS  28  -1.824 -12.638   8.091
  202   1HB   LYS  28          2HB       LYS  28  -3.924 -10.545   7.461
  203   2HB   LYS  28          1HB       LYS  28  -4.240 -12.078   8.277
  204   1HG   LYS  28          2HG       LYS  28  -2.178 -10.122   9.303
  205   2HG   LYS  28          1HG       LYS  28  -3.873 -10.027   9.784
  206   1HD   LYS  28          2HD       LYS  28  -2.157 -12.510  10.072
  207   2HD   LYS  28          1HD       LYS  28  -2.471 -11.364  11.375
  208   1HE   LYS  28          2HE       LYS  28  -5.002 -11.791  10.649
  209   2HE   LYS  28          1HE       LYS  28  -4.325 -13.317  10.080
  210   1HZ   LYS  28          1HZ       LYS  28  -3.230 -13.384  12.384
  211   2HZ   LYS  28          3HZ       LYS  28  -4.398 -12.233  12.820
  212   3HZ   LYS  28          2HZ       LYS  28  -4.883 -13.763  12.262
  213    H    TYR  29           HN       TYR  29  -2.151 -11.085   4.994
  214    HA   TYR  29           HA       TYR  29  -3.776 -13.285   3.889
  215   1HB   TYR  29          2HB       TYR  29  -2.610 -10.762   2.680
  216   2HB   TYR  29          1HB       TYR  29  -3.464 -11.979   1.728
  217    HD1  TYR  29          2HD       TYR  29  -5.831 -12.643   2.452
  218    HD2  TYR  29          1HD       TYR  29  -3.820  -9.145   3.921
  219    HE1  TYR  29          2HE       TYR  29  -8.006 -11.694   3.165
  220    HE2  TYR  29          1HE       TYR  29  -5.997  -8.195   4.637
  221    HH   TYR  29           HH       TYR  29  -8.857 -10.059   4.768
  222    H    ASP  30           HN       ASP  30  -2.949 -14.979   2.758
  223    HA   ASP  30           HA       ASP  30  -0.067 -15.405   2.758
  224   1HB   ASP  30          2HB       ASP  30  -2.287 -17.039   1.491
  225   2HB   ASP  30          1HB       ASP  30  -0.623 -17.573   1.735
  226    H    ALA  31           HN       ALA  31  -2.404 -14.198   0.464
  227    HA   ALA  31           HA       ALA  31  -1.112 -14.784  -1.987
  228   1HB   ALA  31          2HB       ALA  31  -2.763 -12.392  -1.138
  229   2HB   ALA  31          1HB       ALA  31  -2.236 -12.662  -2.798
  230   3HB   ALA  31          3HB       ALA  31  -3.316 -13.817  -2.017
  231    H    ASP  32           HN       ASP  32   0.390 -13.560  -3.245
  232    HA   ASP  32           HA       ASP  32   2.346 -12.072  -1.611
  233   1HB   ASP  32          2HB       ASP  32   2.418 -12.922  -4.524
  234   2HB   ASP  32          1HB       ASP  32   3.762 -12.198  -3.637
  235    H    VAL  33           HN       VAL  33   1.145 -10.121  -1.265
  236    HA   VAL  33           HA       VAL  33   0.351  -8.535  -3.630
  237    HB   VAL  33           HB       VAL  33  -0.516  -6.928  -1.955
  238   1HG1  VAL  33          3HG1      VAL  33  -1.340  -9.700  -2.243
  239   2HG1  VAL  33          2HG1      VAL  33  -1.776  -9.089  -0.647
  240   3HG1  VAL  33          1HG1      VAL  33  -2.335  -8.253  -2.096
  241   1HG2  VAL  33          3HG2      VAL  33   1.270  -8.447  -0.217
  242   2HG2  VAL  33          2HG2      VAL  33   0.526  -6.874   0.051
  243   3HG2  VAL  33          1HG2      VAL  33  -0.353  -8.345   0.461
  244    H    ASN  34           HN       ASN  34   1.870  -7.277  -4.607
  245    HA   ASN  34           HA       ASN  34   4.070  -6.170  -2.903
  246   1HB   ASN  34          2HB       ASN  34   4.215  -6.855  -5.852
  247   2HB   ASN  34          1HB       ASN  34   5.549  -6.333  -4.823
  248   1HD2  ASN  34          2HD2      ASN  34   5.340 -10.148  -5.106
  249   2HD2  ASN  34          1HD2      ASN  34   5.231  -8.944  -6.299
  250    H    LEU  35           HN       LEU  35   4.092  -3.991  -2.792
  251    HA   LEU  35           HA       LEU  35   2.404  -2.418  -4.647
  252   1HB   LEU  35          2HB       LEU  35   2.385  -2.022  -2.153
  253   2HB   LEU  35          1HB       LEU  35   4.047  -1.448  -2.290
  254    HG   LEU  35           HG       LEU  35   2.075  -0.255  -4.171
  255   1HD1  LEU  35          2HD1      LEU  35   1.908  -0.045  -1.199
  256   2HD1  LEU  35          1HD1      LEU  35   1.717   1.443  -2.126
  257   3HD1  LEU  35          3HD1      LEU  35   0.630   0.085  -2.408
  258   1HD2  LEU  35          1HD2      LEU  35   4.593   0.454  -2.745
  259   2HD2  LEU  35          3HD2      LEU  35   4.111   0.790  -4.408
  260   3HD2  LEU  35          2HD2      LEU  35   3.480   1.778  -3.091
  261    H    GLU  36           HN       GLU  36   3.264  -0.899  -6.106
  262    HA   GLU  36           HA       GLU  36   6.246  -0.741  -6.259
  263   1HB   GLU  36          2HB       GLU  36   5.265  -2.285  -8.001
  264   2HB   GLU  36          1HB       GLU  36   4.400  -0.895  -8.657
  265   1HG   GLU  36          2HG       GLU  36   6.553   0.278  -9.017
  266   2HG   GLU  36          1HG       GLU  36   7.415  -1.119  -8.369
  267    H    TYR  37           HN       TYR  37   7.042   1.216  -7.249
  268    HA   TYR  37           HA       TYR  37   5.094   3.404  -7.687
  269   1HB   TYR  37          2HB       TYR  37   5.625   3.560  -5.292
  270   2HB   TYR  37          1HB       TYR  37   7.347   3.524  -5.651
  271    HD1  TYR  37          1HD       TYR  37   4.589   5.391  -7.381
  272    HD2  TYR  37          2HD       TYR  37   8.161   5.630  -5.006
  273    HE1  TYR  37          1HE       TYR  37   4.595   7.856  -7.639
  274    HE2  TYR  37          2HE       TYR  37   8.167   8.096  -5.266
  275    HH   TYR  37           HH       TYR  37   5.696   9.868  -6.052
  276    H    ASN  38           HN       ASN  38   5.696   3.824  -9.770
  277    HA   ASN  38           HA       ASN  38   6.993   4.681 -11.518
  278   1HB   ASN  38          2HB       ASN  38   8.417   5.548  -9.168
  279   2HB   ASN  38          1HB       ASN  38   9.590   5.020 -10.372
  280   1HD2  ASN  38          1HD2      ASN  38   9.160   5.953 -12.674
  281   2HD2  ASN  38          2HD2      ASN  38   8.604   7.555 -12.756
  282    H    GLY  39           HN       GLY  39   9.683   3.148  -9.752
  283   1HA   GLY  39          2HA       GLY  39   9.547   0.810 -11.560
  284   2HA   GLY  39          1HA       GLY  39  11.014   1.790 -11.608
  285    H    LYS  40           HN       LYS  40   9.249   1.402  -8.616
  286    HA   LYS  40           HA       LYS  40  11.376  -0.461  -7.636
  287   1HB   LYS  40          2HB       LYS  40  10.141   1.959  -6.299
  288   2HB   LYS  40          1HB       LYS  40  11.003   0.716  -5.390
  289   1HG   LYS  40          2HG       LYS  40  13.052   1.209  -6.405
  290   2HG   LYS  40          1HG       LYS  40  12.289   1.966  -7.804
  291   1HD   LYS  40          2HD       LYS  40  11.521   3.830  -6.356
  292   2HD   LYS  40          1HD       LYS  40  12.347   3.087  -4.986
  293   1HE   LYS  40          2HE       LYS  40  14.455   3.581  -5.810
  294   2HE   LYS  40          1HE       LYS  40  13.912   3.582  -7.488
  295   1HZ   LYS  40          3HZ       LYS  40  12.602   5.630  -6.868
  296   2HZ   LYS  40          2HZ       LYS  40  13.513   5.676  -5.434
  297   3HZ   LYS  40          1HZ       LYS  40  14.287   5.814  -6.940
  298    H    THR  41           HN       THR  41  10.172  -2.352  -7.672
  299    HA   THR  41           HA       THR  41   7.417  -2.345  -6.616
  300    HB   THR  41           HB       THR  41   9.055  -4.697  -7.601
  301    HG1  THR  41           HG1      THR  41   8.877  -3.137  -9.218
  302   1HG2  THR  41          2HG2      THR  41   6.865  -4.944  -6.208
  303   2HG2  THR  41          1HG2      THR  41   6.064  -4.384  -7.676
  304   3HG2  THR  41          3HG2      THR  41   7.022  -5.864  -7.705
  305    H    VAL  42           HN       VAL  42   7.867  -1.876  -4.384
  306    HA   VAL  42           HA       VAL  42   9.526  -3.815  -2.881
  307    HB   VAL  42           HB       VAL  42   8.789  -2.412  -0.883
  308   1HG1  VAL  42          1HG1      VAL  42  10.829  -2.061  -2.656
  309   2HG1  VAL  42          3HG1      VAL  42  10.045  -0.482  -2.733
  310   3HG1  VAL  42          2HG1      VAL  42  10.618  -1.109  -1.187
  311   1HG2  VAL  42          2HG2      VAL  42   6.755  -1.519  -2.183
  312   2HG2  VAL  42          1HG2      VAL  42   7.669  -0.347  -1.235
  313   3HG2  VAL  42          3HG2      VAL  42   7.890  -0.431  -2.983
  314    H    ASN  43           HN       ASN  43   8.656  -5.242  -1.340
  315    HA   ASN  43           HA       ASN  43   6.005  -6.244  -1.904
  316   1HB   ASN  43          2HB       ASN  43   8.087  -7.498  -0.952
  317   2HB   ASN  43          1HB       ASN  43   7.543  -6.881   0.607
  318   1HD2  ASN  43          2HD2      ASN  43   5.818 -10.088   0.403
  319   2HD2  ASN  43          1HD2      ASN  43   7.352  -9.464   0.771
  320    H    LEU  44           HN       LEU  44   4.104  -5.970  -0.695
  321    HA   LEU  44           HA       LEU  44   3.644  -3.538   0.664
  322   1HB   LEU  44          2HB       LEU  44   1.962  -5.292  -0.275
  323   2HB   LEU  44          1HB       LEU  44   2.111  -6.069   1.294
  324    HG   LEU  44           HG       LEU  44   0.157  -4.516   1.135
  325   1HD1  LEU  44          1HD1      LEU  44   1.806  -4.939   3.232
  326   2HD1  LEU  44          3HD1      LEU  44   1.914  -3.184   3.111
  327   3HD1  LEU  44          2HD1      LEU  44   0.345  -3.958   3.329
  328   1HD2  LEU  44          1HD2      LEU  44   1.403  -2.839  -0.340
  329   2HD2  LEU  44          3HD2      LEU  44   0.440  -2.148   0.967
  330   3HD2  LEU  44          2HD2      LEU  44   2.192  -2.274   1.132
  331    H    LYS  45           HN       LYS  45   4.902  -6.588   1.839
  332    HA   LYS  45           HA       LYS  45   4.766  -5.697   4.655
  333   1HB   LYS  45          2HB       LYS  45   6.066  -8.210   3.566
  334   2HB   LYS  45          1HB       LYS  45   5.552  -7.900   5.223
  335   1HG   LYS  45          2HG       LYS  45   3.719  -9.102   4.538
  336   2HG   LYS  45          1HG       LYS  45   3.198  -7.512   3.977
  337   1HD   LYS  45          2HD       LYS  45   3.378  -8.098   1.795
  338   2HD   LYS  45          1HD       LYS  45   4.926  -8.902   2.046
  339   1HE   LYS  45          2HE       LYS  45   3.357 -10.597   1.378
  340   2HE   LYS  45          1HE       LYS  45   3.649 -10.818   3.103
  341   1HZ   LYS  45          2HZ       LYS  45   1.626  -9.224   3.313
  342   2HZ   LYS  45          1HZ       LYS  45   1.273  -9.758   1.739
  343   3HZ   LYS  45          3HZ       LYS  45   1.377 -10.876   3.009
  344    H    SER  46           HN       SER  46   6.215  -3.845   3.546
  345    HA   SER  46           HA       SER  46   8.976  -4.400   4.426
  346   1HB   SER  46          2HB       SER  46   8.605  -4.795   1.829
  347   2HB   SER  46          1HB       SER  46   8.664  -3.035   1.769
  348    HG   SER  46           HG       SER  46  10.673  -3.183   2.899
  349    H    ILE  47           HN       ILE  47   8.477  -2.905   6.097
  350    HA   ILE  47           HA       ILE  47   7.432  -0.262   5.554
  351    HB   ILE  47           HB       ILE  47   8.996  -1.194   7.972
  352   1HG1  ILE  47          2HG1      ILE  47   6.022  -1.329   7.347
  353   2HG1  ILE  47          1HG1      ILE  47   7.108  -2.704   7.522
  354   1HG2  ILE  47          3HG2      ILE  47   8.637   1.279   7.666
  355   2HG2  ILE  47          2HG2      ILE  47   6.900   0.980   7.662
  356   3HG2  ILE  47          1HG2      ILE  47   7.853   0.627   9.103
  357   1HD1  ILE  47          2HD1      ILE  47   7.581  -1.460   9.876
  358   2HD1  ILE  47          1HD1      ILE  47   5.908  -0.972   9.611
  359   3HD1  ILE  47          3HD1      ILE  47   6.328  -2.684   9.673
  360    H    MET  48           HN       MET  48  10.703  -1.441   6.411
  361    HA   MET  48           HA       MET  48  12.021   1.070   6.129
  362   1HB   MET  48          2HB       MET  48  12.953  -1.041   7.190
  363   2HB   MET  48          1HB       MET  48  13.238  -1.643   5.557
  364   1HG   MET  48          2HG       MET  48  15.275  -0.634   5.941
  365   2HG   MET  48          1HG       MET  48  14.396   0.741   5.276
  366   1HE   MET  48          2HE       MET  48  16.349   1.896   6.201
  367   2HE   MET  48          1HE       MET  48  15.059   3.044   6.550
  368   3HE   MET  48          3HE       MET  48  16.304   2.712   7.761
  369    H    GLY  49           HN       GLY  49  11.009  -1.321   3.768
  370   1HA   GLY  49          2HA       GLY  49  12.642  -0.321   1.591
  371   2HA   GLY  49          1HA       GLY  49  11.247  -1.389   1.426
  372    H    VAL  50           HN       VAL  50   9.310   0.266   2.681
  373    HA   VAL  50           HA       VAL  50   8.538   1.947   0.493
  374    HB   VAL  50           HB       VAL  50   7.545   2.040   3.358
  375   1HG1  VAL  50          2HG1      VAL  50   6.623   3.183   0.749
  376   2HG1  VAL  50          1HG1      VAL  50   5.402   2.646   1.904
  377   3HG1  VAL  50          3HG1      VAL  50   6.564   3.890   2.365
  378   1HG2  VAL  50          2HG2      VAL  50   7.515  -0.161   1.692
  379   2HG2  VAL  50          1HG2      VAL  50   6.353   0.138   2.984
  380   3HG2  VAL  50          3HG2      VAL  50   5.966   0.597   1.326
  381    H    VAL  51           HN       VAL  51  10.406   2.543   3.402
  382    HA   VAL  51           HA       VAL  51  10.211   5.441   3.286
  383    HB   VAL  51           HB       VAL  51  12.325   3.719   4.618
  384   1HG1  VAL  51          3HG1      VAL  51  12.809   6.186   4.298
  385   2HG1  VAL  51          2HG1      VAL  51  11.397   6.520   5.300
  386   3HG1  VAL  51          1HG1      VAL  51  12.773   5.654   5.980
  387   1HG2  VAL  51          3HG2      VAL  51   9.524   4.446   5.341
  388   2HG2  VAL  51          2HG2      VAL  51  10.443   2.993   5.731
  389   3HG2  VAL  51          1HG2      VAL  51  10.723   4.481   6.633
  390    H    SER  52           HN       SER  52  12.332   3.005   1.897
  391    HA   SER  52           HA       SER  52  14.462   4.742   1.093
  392   1HB   SER  52          2HB       SER  52  15.187   2.943  -0.298
  393   2HB   SER  52          1HB       SER  52  14.449   2.186   1.110
  394    HG   SER  52           HG       SER  52  13.829   1.772  -1.372
  395    H    LEU  53           HN       LEU  53  11.290   4.118  -0.260
  396    HA   LEU  53           HA       LEU  53  11.871   5.251  -2.873
  397   1HB   LEU  53          2HB       LEU  53   9.258   4.719  -1.430
  398   2HB   LEU  53          1HB       LEU  53   9.365   5.293  -3.094
  399    HG   LEU  53           HG       LEU  53  11.100   3.144  -3.116
  400   1HD1  LEU  53          2HD1      LEU  53   9.873   2.795  -0.730
  401   2HD1  LEU  53          1HD1      LEU  53   8.721   1.967  -1.777
  402   3HD1  LEU  53          3HD1      LEU  53  10.406   1.450  -1.740
  403   1HD2  LEU  53          2HD2      LEU  53   9.316   3.746  -4.770
  404   2HD2  LEU  53          1HD2      LEU  53   9.358   2.022  -4.403
  405   3HD2  LEU  53          3HD2      LEU  53   8.118   3.046  -3.680
  406    H    GLY  54           HN       GLY  54  10.235   6.461   0.064
  407   1HA   GLY  54          2HA       GLY  54  10.067   8.675   0.854
  408   2HA   GLY  54          1HA       GLY  54  11.154   9.171  -0.446
  409    H    ILE  55           HN       ILE  55   7.830   7.873  -0.128
  410    HA   ILE  55           HA       ILE  55   6.942   9.194  -2.559
  411    HB   ILE  55           HB       ILE  55   5.287   8.011  -0.305
  412   1HG1  ILE  55          2HG1      ILE  55   5.832   6.575  -2.871
  413   2HG1  ILE  55          1HG1      ILE  55   7.114   6.599  -1.662
  414   1HG2  ILE  55          1HG2      ILE  55   4.701   8.788  -3.171
  415   2HG2  ILE  55          3HG2      ILE  55   3.673   7.674  -2.267
  416   3HG2  ILE  55          2HG2      ILE  55   3.878   9.334  -1.709
  417   1HD1  ILE  55          3HD1      ILE  55   4.263   5.770  -1.066
  418   2HD1  ILE  55          2HD1      ILE  55   5.552   4.633  -1.459
  419   3HD1  ILE  55          1HD1      ILE  55   5.660   5.618   0.000
  420    H    ALA  56           HN       ALA  56   5.165  10.839  -2.540
  421    HA   ALA  56           HA       ALA  56   5.064  12.520  -0.097
  422   1HB   ALA  56          3HB       ALA  56   6.868  13.138  -2.051
  423   2HB   ALA  56          2HB       ALA  56   5.460  14.046  -2.600
  424   3HB   ALA  56          1HB       ALA  56   6.119  14.332  -0.990
  425    H    LYS  57           HN       LYS  57   3.716  14.693  -1.213
  426    HA   LYS  57           HA       LYS  57   1.050  13.598  -1.521
  427   1HB   LYS  57          2HB       LYS  57   2.132  16.414  -1.811
  428   2HB   LYS  57          1HB       LYS  57   0.419  16.007  -1.890
  429   1HG   LYS  57          2HG       LYS  57   0.278  15.577   0.351
  430   2HG   LYS  57          1HG       LYS  57   1.926  14.956   0.447
  431   1HD   LYS  57          2HD       LYS  57   1.269  17.886   0.037
  432   2HD   LYS  57          1HD       LYS  57   1.586  17.174   1.619
  433   1HE   LYS  57          2HE       LYS  57   3.782  16.307   0.611
  434   2HE   LYS  57          1HE       LYS  57   3.475  17.414  -0.727
  435   1HZ   LYS  57          2HZ       LYS  57   3.312  19.224   0.897
  436   2HZ   LYS  57          1HZ       LYS  57   3.717  18.141   2.142
  437   3HZ   LYS  57          3HZ       LYS  57   4.839  18.483   0.917
  438    H    GLY  58           HN       GLY  58  -0.090  13.245  -3.381
  439   1HA   GLY  58          2HA       GLY  58  -0.658  13.381  -5.680
  440   2HA   GLY  58          1HA       GLY  58   0.699  14.482  -5.919
  441    H    ALA  59           HN       ALA  59   0.642  11.186  -4.565
  442    HA   ALA  59           HA       ALA  59   2.652  10.427  -6.643
  443   1HB   ALA  59          3HB       ALA  59   3.012  10.301  -3.984
  444   2HB   ALA  59          2HB       ALA  59   2.227   8.739  -4.221
  445   3HB   ALA  59          1HB       ALA  59   3.722   9.115  -5.081
  446    H    GLU  60           HN       GLU  60   2.497   8.150  -7.405
  447    HA   GLU  60           HA       GLU  60  -0.320   7.134  -7.346
  448   1HB   GLU  60          2HB       GLU  60   1.588   6.963  -9.701
  449   2HB   GLU  60          1HB       GLU  60  -0.115   6.503  -9.676
  450   1HG   GLU  60          2HG       GLU  60  -0.437   8.602 -10.512
  451   2HG   GLU  60          1HG       GLU  60  -0.287   9.087  -8.823
  452    H    ILE  61           HN       ILE  61  -0.353   5.178  -6.371
  453    HA   ILE  61           HA       ILE  61   2.089   3.464  -6.564
  454    HB   ILE  61           HB       ILE  61   1.177   2.366  -4.470
  455   1HG1  ILE  61          2HG1      ILE  61  -0.631   4.808  -4.459
  456   2HG1  ILE  61          1HG1      ILE  61  -1.173   3.161  -4.775
  457   1HG2  ILE  61          1HG2      ILE  61   1.917   5.300  -4.493
  458   2HG2  ILE  61          3HG2      ILE  61   1.791   4.360  -3.006
  459   3HG2  ILE  61          2HG2      ILE  61   2.983   3.921  -4.230
  460   1HD1  ILE  61          1HD1      ILE  61   0.411   3.334  -2.326
  461   2HD1  ILE  61          3HD1      ILE  61  -1.007   4.383  -2.273
  462   3HD1  ILE  61          2HD1      ILE  61  -1.198   2.656  -2.572
  463    H    THR  62           HN       THR  62   1.764   1.195  -6.919
  464    HA   THR  62           HA       THR  62  -0.969   0.409  -7.816
  465    HB   THR  62           HB       THR  62   1.572  -0.205  -9.352
  466    HG1  THR  62           HG1      THR  62   1.033   1.986  -9.505
  467   1HG2  THR  62          2HG2      THR  62  -1.293  -0.969  -9.571
  468   2HG2  THR  62          1HG2      THR  62  -0.460  -0.586 -11.077
  469   3HG2  THR  62          3HG2      THR  62   0.151  -1.869 -10.033
  470    H    ILE  63           HN       ILE  63  -1.430  -1.172  -6.351
  471    HA   ILE  63           HA       ILE  63   0.697  -3.021  -5.458
  472    HB   ILE  63           HB       ILE  63  -2.204  -2.707  -4.612
  473   1HG1  ILE  63          2HG1      ILE  63   0.383  -1.993  -3.197
  474   2HG1  ILE  63          1HG1      ILE  63  -0.646  -0.835  -4.039
  475   1HG2  ILE  63          3HG2      ILE  63   0.003  -4.548  -3.668
  476   2HG2  ILE  63          2HG2      ILE  63  -1.355  -4.115  -2.628
  477   3HG2  ILE  63          1HG2      ILE  63  -1.643  -4.971  -4.145
  478   1HD1  ILE  63          1HD1      ILE  63  -2.531  -1.865  -2.501
  479   2HD1  ILE  63          3HD1      ILE  63  -1.161  -2.325  -1.491
  480   3HD1  ILE  63          2HD1      ILE  63  -1.445  -0.627  -1.868
  481    H    SER  64           HN       SER  64   0.305  -5.368  -5.545
  482    HA   SER  64           HA       SER  64  -1.665  -6.264  -7.565
  483   1HB   SER  64          2HB       SER  64   0.242  -7.677  -8.590
  484   2HB   SER  64          1HB       SER  64   0.180  -5.967  -9.007
  485    HG   SER  64           HG       SER  64   2.197  -6.115  -8.333
  486    H    ALA  65           HN       ALA  65  -2.774  -7.594  -6.176
  487    HA   ALA  65           HA       ALA  65  -1.302  -9.391  -4.340
  488   1HB   ALA  65          2HB       ALA  65  -3.530  -8.119  -3.834
  489   2HB   ALA  65          1HB       ALA  65  -4.288  -9.409  -4.768
  490   3HB   ALA  65          3HB       ALA  65  -3.378  -9.794  -3.307
  491    H    SER  66           HN       SER  66  -0.693 -11.398  -5.052
  492    HA   SER  66           HA       SER  66  -2.422 -12.767  -7.062
  493   1HB   SER  66          2HB       SER  66   0.496 -13.194  -7.300
  494   2HB   SER  66          1HB       SER  66  -0.732 -13.128  -8.555
  495    HG   SER  66           HG       SER  66  -0.801 -10.852  -8.215
  496    H    GLY  67           HN       GLY  67  -3.194 -14.421  -5.810
  497   1HA   GLY  67          2HA       GLY  67  -1.562 -16.628  -5.107
  498   2HA   GLY  67          1HA       GLY  67  -1.790 -15.657  -3.650
  499    H    ALA  68           HN       ALA  68  -3.197 -16.990  -2.521
  500    HA   ALA  68           HA       ALA  68  -5.563 -18.121  -3.864
  501   1HB   ALA  68          2HB       ALA  68  -4.413 -18.302  -1.080
  502   2HB   ALA  68          1HB       ALA  68  -6.044 -18.879  -1.425
  503   3HB   ALA  68          3HB       ALA  68  -4.662 -19.594  -2.255
  504    H    ASP  69           HN       ASP  69  -4.972 -15.915  -1.105
  505    HA   ASP  69           HA       ASP  69  -7.752 -14.888  -1.420
  506   1HB   ASP  69          2HB       ASP  69  -7.292 -13.783   0.800
  507   2HB   ASP  69          1HB       ASP  69  -7.217 -15.544   0.850
  508    H    GLU  70           HN       GLU  70  -6.009 -14.124  -3.429
  509    HA   GLU  70           HA       GLU  70  -4.628 -11.658  -2.929
  510   1HB   GLU  70          2HB       GLU  70  -4.818 -11.368  -5.445
  511   2HB   GLU  70          1HB       GLU  70  -4.066 -12.872  -4.919
  512   1HG   GLU  70          2HG       GLU  70  -6.023 -14.139  -5.389
  513   2HG   GLU  70          1HG       GLU  70  -7.025 -12.694  -5.509
  514    H    ASN  71           HN       ASN  71  -7.973 -12.398  -3.788
  515    HA   ASN  71           HA       ASN  71  -8.690  -9.636  -4.338
  516   1HB   ASN  71          2HB       ASN  71 -10.183 -12.213  -3.992
  517   2HB   ASN  71          1HB       ASN  71 -11.076 -10.693  -3.913
  518   1HD2  ASN  71          2HD2      ASN  71 -10.868 -10.090  -7.388
  519   2HD2  ASN  71          1HD2      ASN  71 -11.421  -9.544  -5.879
  520    H    ASP  72           HN       ASP  72  -8.798 -11.753  -1.510
  521    HA   ASP  72           HA       ASP  72 -10.298  -9.872   0.124
  522   1HB   ASP  72          2HB       ASP  72  -8.631 -12.298   0.846
  523   2HB   ASP  72          1HB       ASP  72  -9.599 -11.383   2.002
  524    H    ALA  73           HN       ALA  73  -6.948 -10.228  -0.742
  525    HA   ALA  73           HA       ALA  73  -5.940  -8.764   1.579
  526   1HB   ALA  73          2HB       ALA  73  -4.662  -9.618  -1.026
  527   2HB   ALA  73          1HB       ALA  73  -3.798  -8.745   0.241
  528   3HB   ALA  73          3HB       ALA  73  -4.450 -10.352   0.563
  529    H    LEU  74           HN       LEU  74  -6.534  -8.009  -1.868
  530    HA   LEU  74           HA       LEU  74  -5.513  -5.340  -1.729
  531   1HB   LEU  74          2HB       LEU  74  -6.636  -4.960  -3.857
  532   2HB   LEU  74          1HB       LEU  74  -5.893  -6.555  -3.858
  533    HG   LEU  74           HG       LEU  74  -8.273  -7.312  -2.982
  534   1HD1  LEU  74          3HD1      LEU  74  -8.725  -4.573  -3.401
  535   2HD1  LEU  74          2HD1      LEU  74  -9.450  -5.355  -4.805
  536   3HD1  LEU  74          1HD1      LEU  74  -9.958  -5.813  -3.180
  537   1HD2  LEU  74          3HD2      LEU  74  -7.081  -7.921  -5.133
  538   2HD2  LEU  74          2HD2      LEU  74  -8.842  -7.881  -5.253
  539   3HD2  LEU  74          1HD2      LEU  74  -7.885  -6.542  -5.883
  540    H    ASN  75           HN       ASN  75  -8.820  -6.600  -1.243
  541    HA   ASN  75           HA       ASN  75  -9.912  -3.932  -0.857
  542   1HB   ASN  75          2HB       ASN  75 -11.974  -5.050  -0.185
  543   2HB   ASN  75          1HB       ASN  75 -11.325  -5.829  -1.625
  544   1HD2  ASN  75          2HD2      ASN  75 -12.227  -8.298   1.196
  545   2HD2  ASN  75          1HD2      ASN  75 -13.060  -6.918   0.665
  546    H    ALA  76           HN       ALA  76  -8.380  -6.298   1.210
  547    HA   ALA  76           HA       ALA  76  -9.361  -5.311   3.724
  548   1HB   ALA  76          3HB       ALA  76  -7.416  -7.237   2.811
  549   2HB   ALA  76          2HB       ALA  76  -6.709  -6.256   4.093
  550   3HB   ALA  76          1HB       ALA  76  -8.210  -7.132   4.381
  551    H    LEU  77           HN       LEU  77  -6.167  -4.768   2.173
  552    HA   LEU  77           HA       LEU  77  -5.419  -2.628   3.913
  553   1HB   LEU  77          2HB       LEU  77  -4.507  -3.030   1.056
  554   2HB   LEU  77          1HB       LEU  77  -3.646  -2.177   2.336
  555    HG   LEU  77           HG       LEU  77  -4.305  -4.836   3.256
  556   1HD1  LEU  77          3HD1      LEU  77  -4.109  -4.936   0.562
  557   2HD1  LEU  77          2HD1      LEU  77  -2.404  -5.080   0.991
  558   3HD1  LEU  77          1HD1      LEU  77  -3.572  -6.244   1.616
  559   1HD2  LEU  77          2HD2      LEU  77  -1.748  -3.330   2.650
  560   2HD2  LEU  77          1HD2      LEU  77  -2.492  -3.606   4.224
  561   3HD2  LEU  77          3HD2      LEU  77  -1.754  -4.947   3.351
  562    H    GLU  78           HN       GLU  78  -7.367  -2.719   0.996
  563    HA   GLU  78           HA       GLU  78  -7.257   0.035   0.276
  564   1HB   GLU  78          2HB       GLU  78  -8.279  -1.703  -1.149
  565   2HB   GLU  78          1HB       GLU  78  -9.580  -1.903   0.021
  566   1HG   GLU  78          2HG       GLU  78 -10.674  -0.051  -0.703
  567   2HG   GLU  78          1HG       GLU  78  -9.189   0.893  -0.805
  568    H    GLU  79           HN       GLU  79  -9.723  -1.624   2.301
  569    HA   GLU  79           HA       GLU  79 -11.114   0.734   3.057
  570   1HB   GLU  79          2HB       GLU  79 -11.943  -0.644   4.979
  571   2HB   GLU  79          1HB       GLU  79 -12.094  -1.454   3.419
  572   1HG   GLU  79          2HG       GLU  79 -10.248  -2.870   3.842
  573   2HG   GLU  79          1HG       GLU  79  -9.666  -1.859   5.164
  574    H    THR  80           HN       THR  80  -8.154  -0.694   4.294
  575    HA   THR  80           HA       THR  80  -8.060   0.807   6.761
  576    HB   THR  80           HB       THR  80  -5.738  -0.287   5.142
  577    HG1  THR  80           HG1      THR  80  -6.198  -2.186   5.960
  578   1HG2  THR  80          2HG2      THR  80  -6.052   0.935   7.817
  579   2HG2  THR  80          1HG2      THR  80  -5.100  -0.548   7.778
  580   3HG2  THR  80          3HG2      THR  80  -4.625   0.829   6.786
  581    H    MET  81           HN       MET  81  -7.033   1.413   3.454
  582    HA   MET  81           HA       MET  81  -5.520   3.809   4.014
  583   1HB   MET  81          2HB       MET  81  -6.759   2.629   1.524
  584   2HB   MET  81          1HB       MET  81  -5.941   4.190   1.497
  585   1HG   MET  81          2HG       MET  81  -4.613   1.745   2.662
  586   2HG   MET  81          1HG       MET  81  -4.524   2.105   0.938
  587   1HE   MET  81          1HE       MET  81  -2.933   1.977   3.833
  588   2HE   MET  81          3HE       MET  81  -1.755   3.287   3.995
  589   3HE   MET  81          2HE       MET  81  -3.389   3.484   4.623
  590    H    LYS  82           HN       LYS  82  -8.906   3.117   3.334
  591    HA   LYS  82           HA       LYS  82  -9.653   5.896   2.912
  592   1HB   LYS  82          2HB       LYS  82 -11.094   3.293   3.219
  593   2HB   LYS  82          1HB       LYS  82 -12.006   4.781   3.479
  594   1HG   LYS  82          2HG       LYS  82 -11.922   5.373   1.278
  595   2HG   LYS  82          1HG       LYS  82 -10.270   4.787   1.081
  596   1HD   LYS  82          2HD       LYS  82 -11.110   2.456   1.052
  597   2HD   LYS  82          1HD       LYS  82 -12.760   3.059   1.206
  598   1HE   LYS  82          2HE       LYS  82 -11.135   4.230  -0.990
  599   2HE   LYS  82          1HE       LYS  82 -11.611   2.543  -1.185
  600   1HZ   LYS  82          3HZ       LYS  82 -13.920   3.333  -0.558
  601   2HZ   LYS  82          2HZ       LYS  82 -13.348   4.910  -0.827
  602   3HZ   LYS  82          1HZ       LYS  82 -13.354   3.777  -2.093
  603    H    SER  83           HN       SER  83  -9.374   3.767   5.686
  604    HA   SER  83           HA       SER  83 -10.966   5.307   7.517
  605   1HB   SER  83          2HB       SER  83  -9.901   4.011   9.251
  606   2HB   SER  83          1HB       SER  83 -10.156   2.939   7.877
  607    HG   SER  83           HG       SER  83  -7.884   3.539   9.088
  608    H    GLU  84           HN       GLU  84  -7.435   5.250   6.920
  609    HA   GLU  84           HA       GLU  84  -7.066   7.611   8.636
  610   1HB   GLU  84          2HB       GLU  84  -5.058   6.158   6.888
  611   2HB   GLU  84          1HB       GLU  84  -4.691   7.326   8.159
  612   1HG   GLU  84          2HG       GLU  84  -6.178   4.728   8.634
  613   2HG   GLU  84          1HG       GLU  84  -4.443   4.928   8.886
  614    H    GLY  85           HN       GLY  85  -7.863   7.077   5.353
  615   1HA   GLY  85          2HA       GLY  85  -8.085   8.584   3.571
  616   2HA   GLY  85          1HA       GLY  85  -7.805   9.880   4.735
  617    H    LEU  86           HN       LEU  86  -5.622   7.190   3.995
  618    HA   LEU  86           HA       LEU  86  -3.425   9.074   3.570
  619   1HB   LEU  86          2HB       LEU  86  -3.623   6.059   3.523
  620   2HB   LEU  86          1HB       LEU  86  -2.129   6.921   3.152
  621    HG   LEU  86           HG       LEU  86  -3.679   7.440   5.692
  622   1HD1  LEU  86          3HD1      LEU  86  -1.528   5.386   5.136
  623   2HD1  LEU  86          2HD1      LEU  86  -1.943   5.934   6.760
  624   3HD1  LEU  86          1HD1      LEU  86  -3.145   5.098   5.775
  625   1HD2  LEU  86          2HD2      LEU  86  -0.938   8.071   4.609
  626   2HD2  LEU  86          1HD2      LEU  86  -2.113   9.160   5.346
  627   3HD2  LEU  86          3HD2      LEU  86  -1.214   8.022   6.350
  628    H    GLY  87           HN       GLY  87  -4.696   6.366   1.591
  629   1HA   GLY  87          2HA       GLY  87  -4.467   8.078  -0.821
  630   2HA   GLY  87          1HA       GLY  87  -3.538   6.577  -0.800
  631    H    GLU  88           HN       GLU  88  -6.367   7.849  -1.884
  632    HA   GLU  88           HA       GLU  88  -7.795   5.225  -1.669
  633   1HB   GLU  88          2HB       GLU  88  -9.882   6.556  -2.080
  634   2HB   GLU  88          1HB       GLU  88  -9.069   6.985  -0.575
  635   1HG   GLU  88          2HG       GLU  88  -8.373   9.040  -1.371
  636   2HG   GLU  88          1HG       GLU  88  -8.315   8.489  -3.044
   
  No H/Q in entry =         636
  Start of MODEL   15
    1   1H    ALA   2          2HT       ALA   2  -6.386  -8.792 -10.913
    2   2H    ALA   2          1HT       ALA   2  -7.285 -10.224 -10.758
    3   3H    ALA   2          3HT       ALA   2  -8.081  -8.729 -10.822
    4    HA   ALA   2           HA       ALA   2  -8.147  -9.079  -8.587
    5   1HB   ALA   2          2HB       ALA   2  -6.895 -11.235  -8.769
    6   2HB   ALA   2          1HB       ALA   2  -5.386 -10.321  -8.776
    7   3HB   ALA   2          3HB       ALA   2  -6.428 -10.292  -7.353
    8    H    GLN   3           HN       GLN   3  -4.847  -8.306  -9.769
    9    HA   GLN   3           HA       GLN   3  -4.059  -6.494  -7.793
   10   1HB   GLN   3          2HB       GLN   3  -2.664  -5.416  -9.560
   11   2HB   GLN   3          1HB       GLN   3  -2.549  -7.174  -9.574
   12   1HG   GLN   3          2HG       GLN   3  -4.581  -6.939 -11.282
   13   2HG   GLN   3          1HG       GLN   3  -3.867  -5.346 -11.535
   14   1HE2  GLN   3          2HE2      GLN   3  -1.439  -8.573 -12.357
   15   2HE2  GLN   3          1HE2      GLN   3  -2.485  -8.650 -11.021
   16    H    LYS   4           HN       LYS   4  -4.112  -4.159  -7.677
   17    HA   LYS   4           HA       LYS   4  -6.145  -2.776  -9.331
   18   1HB   LYS   4          2HB       LYS   4  -6.688  -3.731  -6.687
   19   2HB   LYS   4          1HB       LYS   4  -6.588  -1.973  -6.607
   20   1HG   LYS   4          2HG       LYS   4  -8.062  -2.205  -8.847
   21   2HG   LYS   4          1HG       LYS   4  -8.548  -3.697  -8.039
   22   1HD   LYS   4          2HD       LYS   4 -10.059  -2.328  -7.006
   23   2HD   LYS   4          1HD       LYS   4  -8.691  -1.959  -5.955
   24   1HE   LYS   4          2HE       LYS   4  -8.118  -0.019  -7.346
   25   2HE   LYS   4          1HE       LYS   4  -9.443  -0.399  -8.445
   26   1HZ   LYS   4          3HZ       LYS   4  -9.751   0.225  -5.559
   27   2HZ   LYS   4          2HZ       LYS   4 -10.039   1.317  -6.828
   28   3HZ   LYS   4          1HZ       LYS   4 -11.007  -0.069  -6.659
   29    H    THR   5           HN       THR   5  -6.051  -0.386  -8.962
   30    HA   THR   5           HA       THR   5  -3.261   0.424  -8.304
   31    HB   THR   5           HB       THR   5  -5.346   2.139  -9.661
   32    HG1  THR   5           HG1      THR   5  -4.315   1.342 -11.610
   33   1HG2  THR   5          3HG2      THR   5  -2.374   2.153  -9.290
   34   2HG2  THR   5          2HG2      THR   5  -3.049   2.869 -10.754
   35   3HG2  THR   5          1HG2      THR   5  -3.523   3.486  -9.171
   36    H    PHE   6           HN       PHE   6  -3.064   2.616  -7.227
   37    HA   PHE   6           HA       PHE   6  -5.359   3.388  -5.529
   38   1HB   PHE   6          2HB       PHE   6  -2.759   2.257  -4.487
   39   2HB   PHE   6          1HB       PHE   6  -3.748   3.341  -3.508
   40    HD1  PHE   6          1HD       PHE   6  -3.651   0.062  -5.225
   41    HD2  PHE   6          2HD       PHE   6  -5.856   2.630  -2.578
   42    HE1  PHE   6          1HE       PHE   6  -5.119  -1.837  -4.608
   43    HE2  PHE   6          2HE       PHE   6  -7.324   0.732  -1.960
   44    HZ   PHE   6           HZ       PHE   6  -6.961  -1.503  -2.973
   45    H    LYS   7           HN       LYS   7  -5.203   5.554  -4.838
   46    HA   LYS   7           HA       LYS   7  -2.905   7.069  -6.004
   47   1HB   LYS   7          2HB       LYS   7  -5.494   7.495  -6.543
   48   2HB   LYS   7          1HB       LYS   7  -5.376   8.457  -5.071
   49   1HG   LYS   7          2HG       LYS   7  -4.845   9.958  -6.843
   50   2HG   LYS   7          1HG       LYS   7  -3.299   9.531  -6.109
   51   1HD   LYS   7          2HD       LYS   7  -3.069   9.388  -8.522
   52   2HD   LYS   7          1HD       LYS   7  -3.024   7.754  -7.859
   53   1HE   LYS   7          2HE       LYS   7  -5.104   7.203  -8.705
   54   2HE   LYS   7          1HE       LYS   7  -5.683   8.867  -8.648
   55   1HZ   LYS   7          1HZ       LYS   7  -3.655   7.828 -10.552
   56   2HZ   LYS   7          3HZ       LYS   7  -5.287   8.103 -10.920
   57   3HZ   LYS   7          2HZ       LYS   7  -4.279   9.408 -10.516
   58    H    VAL   8           HN       VAL   8  -1.522   7.995  -4.607
   59    HA   VAL   8           HA       VAL   8  -2.117   7.898  -1.714
   60    HB   VAL   8           HB       VAL   8   0.429   8.817  -3.079
   61   1HG1  VAL   8          1HG1      VAL   8   0.026   9.400  -0.652
   62   2HG1  VAL   8          3HG1      VAL   8  -0.030   7.671  -0.312
   63   3HG1  VAL   8          2HG1      VAL   8   1.450   8.400  -0.934
   64   1HG2  VAL   8          3HG2      VAL   8  -0.419   6.053  -2.153
   65   2HG2  VAL   8          2HG2      VAL   8  -0.045   6.540  -3.806
   66   3HG2  VAL   8          1HG2      VAL   8   1.233   6.489  -2.592
   67    H    THR   9           HN       THR   9  -2.975   9.645  -0.724
   68    HA   THR   9           HA       THR   9  -2.228  12.356  -1.724
   69    HB   THR   9           HB       THR   9  -5.013  11.724  -0.750
   70    HG1  THR   9           HG1      THR   9  -5.536  11.027  -2.670
   71   1HG2  THR   9          1HG2      THR   9  -3.806  14.094  -1.126
   72   2HG2  THR   9          3HG2      THR   9  -4.356  13.802  -2.775
   73   3HG2  THR   9          2HG2      THR   9  -5.522  13.849  -1.453
   74    H    ALA  10           HN       ALA  10  -1.471  10.584   0.658
   75    HA   ALA  10           HA       ALA  10  -2.617  11.914   2.977
   76   1HB   ALA  10          3HB       ALA  10  -0.569   9.808   2.481
   77   2HB   ALA  10          2HB       ALA  10  -0.438  10.707   3.992
   78   3HB   ALA  10          1HB       ALA  10  -1.916   9.818   3.620
   79    H    ASP  11           HN       ASP  11  -1.629  13.527   4.241
   80    HA   ASP  11           HA       ASP  11  -0.015  15.466   2.957
   81   1HB   ASP  11          2HB       ASP  11  -0.546  14.886   5.875
   82   2HB   ASP  11          1HB       ASP  11   0.458  16.242   5.361
   83    H    SER  12           HN       SER  12   0.961  12.975   5.332
   84    HA   SER  12           HA       SER  12   3.800  13.608   4.982
   85   1HB   SER  12          2HB       SER  12   3.961  11.352   6.327
   86   2HB   SER  12          1HB       SER  12   3.381  12.805   7.134
   87    HG   SER  12           HG       SER  12   2.122  10.656   7.165
   88    H    GLY  13           HN       GLY  13   1.481  11.305   3.699
   89   1HA   GLY  13          2HA       GLY  13   1.824  10.246   1.541
   90   2HA   GLY  13          1HA       GLY  13   3.567  10.362   1.798
   91    H    ILE  14           HN       ILE  14   3.554   8.021   1.255
   92    HA   ILE  14           HA       ILE  14   2.484   6.277   3.413
   93    HB   ILE  14           HB       ILE  14   3.701   5.542   0.733
   94   1HG1  ILE  14          2HG1      ILE  14   0.797   5.568   1.607
   95   2HG1  ILE  14          1HG1      ILE  14   1.544   6.815   0.606
   96   1HG2  ILE  14          1HG2      ILE  14   2.698   3.998   3.063
   97   2HG2  ILE  14          3HG2      ILE  14   2.177   3.428   1.477
   98   3HG2  ILE  14          2HG2      ILE  14   3.896   3.552   1.849
   99   1HD1  ILE  14          2HD1      ILE  14   1.612   3.890  -0.150
  100   2HD1  ILE  14          1HD1      ILE  14   0.301   4.959  -0.647
  101   3HD1  ILE  14          3HD1      ILE  14   1.952   5.284  -1.174
  102   1HN   HIP  15           HN       HIP  15   4.383   7.505   4.628
  103    HA   HIP  15           HA       HIP  15   7.018   6.344   4.087
  104   1HB   HIP  15          1HB       HIP  15   6.753   8.736   4.794
  105   2HB   HIP  15          2HB       HIP  15   7.867   7.817   5.786
  106    HD2  HIP  15          2HD       HIP  15   3.951   8.421   6.220
  107    HE2  HIP  15          2HE       HIP  15   3.653   9.088   8.713
  108    HE1  HIP  15          1HE       HIP  15   5.897   9.140   9.884
  109    H    ALA  16           HN       ALA  16   7.784   6.190   6.957
  110    HA   ALA  16           HA       ALA  16   7.370   3.422   7.349
  111   1HB   ALA  16          3HB       ALA  16   9.002   5.283   8.454
  112   2HB   ALA  16          2HB       ALA  16   7.878   5.013   9.786
  113   3HB   ALA  16          1HB       ALA  16   8.782   3.659   9.106
  114    H    ARG  17           HN       ARG  17   5.702   6.130   9.054
  115    HA   ARG  17           HA       ARG  17   4.200   4.613  10.862
  116   1HB   ARG  17          2HB       ARG  17   4.150   7.278   9.918
  117   2HB   ARG  17          1HB       ARG  17   2.498   6.685   9.784
  118   1HG   ARG  17          2HG       ARG  17   2.457   7.364  11.984
  119   2HG   ARG  17          1HG       ARG  17   3.060   5.723  12.219
  120   1HD   ARG  17          2HD       ARG  17   5.266   6.442  12.547
  121   2HD   ARG  17          1HD       ARG  17   4.988   7.980  11.727
  122    HE   ARG  17           HE       ARG  17   3.506   8.521  13.775
  123   1HH1  ARG  17          HH21      ARG  17   3.480   6.681  15.718
  124   2HH1  ARG  17          HH22      ARG  17   4.991   6.745  16.562
  125   1HH2  ARG  17          HH11      ARG  17   6.630   8.466  14.036
  126   2HH2  ARG  17          HH12      ARG  17   6.775   7.756  15.610
  127    HA   PRO  18           HA       PRO  18   0.684   3.885   7.718
  128   1HB   PRO  18          2HB       PRO  18   1.132   4.526   5.079
  129   2HB   PRO  18          1HB       PRO  18   0.369   5.621   6.245
  130   1HG   PRO  18          2HG       PRO  18   3.156   5.665   5.166
  131   2HG   PRO  18          1HG       PRO  18   2.139   7.015   5.698
  132   1HD   PRO  18          2HD       PRO  18   4.215   5.895   7.193
  133   2HD   PRO  18          1HD       PRO  18   2.893   6.869   7.864
  134    H    ALA  19           HN       ALA  19   4.025   3.338   6.925
  135    HA   ALA  19           HA       ALA  19   3.571   1.040   5.194
  136   1HB   ALA  19          3HB       ALA  19   5.652   2.412   5.100
  137   2HB   ALA  19          2HB       ALA  19   6.067   1.846   6.717
  138   3HB   ALA  19          1HB       ALA  19   5.985   0.703   5.377
  139    H    THR  20           HN       THR  20   3.693   1.601   8.626
  140    HA   THR  20           HA       THR  20   4.213  -1.213   9.293
  141    HB   THR  20           HB       THR  20   3.129   0.720  11.296
  142    HG1  THR  20           HG1      THR  20   5.679   0.877  10.073
  143   1HG2  THR  20          2HG2      THR  20   4.112  -1.765  11.507
  144   2HG2  THR  20          1HG2      THR  20   5.624  -0.868  11.642
  145   3HG2  THR  20          3HG2      THR  20   4.315  -0.566  12.784
  146    H    VAL  21           HN       VAL  21   1.508   1.024   9.040
  147    HA   VAL  21           HA       VAL  21  -0.467  -0.740  10.224
  148    HB   VAL  21           HB       VAL  21  -0.958   1.464   8.230
  149   1HG1  VAL  21          3HG1      VAL  21  -2.834  -0.098   8.882
  150   2HG1  VAL  21          2HG1      VAL  21  -2.651   0.479  10.538
  151   3HG1  VAL  21          1HG1      VAL  21  -3.133   1.598   9.263
  152   1HG2  VAL  21          3HG2      VAL  21  -0.219   1.557  11.138
  153   2HG2  VAL  21          2HG2      VAL  21   0.257   2.643   9.832
  154   3HG2  VAL  21          1HG2      VAL  21  -1.364   2.746  10.515
  155    H    LEU  22           HN       LEU  22   0.736  -0.116   6.995
  156    HA   LEU  22           HA       LEU  22  -1.242  -1.753   5.647
  157   1HB   LEU  22          2HB       LEU  22   1.415  -0.589   4.786
  158   2HB   LEU  22          1HB       LEU  22   0.312  -1.432   3.697
  159    HG   LEU  22           HG       LEU  22  -0.463   0.986   5.353
  160   1HD1  LEU  22          3HD1      LEU  22   0.740   0.675   2.623
  161   2HD1  LEU  22          2HD1      LEU  22  -0.494   1.919   2.850
  162   3HD1  LEU  22          1HD1      LEU  22   0.983   1.955   3.815
  163   1HD2  LEU  22          2HD2      LEU  22  -1.800  -0.678   3.208
  164   2HD2  LEU  22          1HD2      LEU  22  -2.416  -0.253   4.805
  165   3HD2  LEU  22          3HD2      LEU  22  -2.315   0.976   3.543
  166    H    VAL  23           HN       VAL  23   2.195  -2.202   6.532
  167    HA   VAL  23           HA       VAL  23   2.504  -4.786   5.383
  168    HB   VAL  23           HB       VAL  23   4.407  -3.420   6.177
  169   1HG1  VAL  23          1HG1      VAL  23   3.218  -2.579   8.229
  170   2HG1  VAL  23          3HG1      VAL  23   3.485  -4.156   8.970
  171   3HG1  VAL  23          2HG1      VAL  23   4.861  -3.140   8.534
  172   1HG2  VAL  23          1HG2      VAL  23   4.252  -6.105   6.221
  173   2HG2  VAL  23          3HG2      VAL  23   5.705  -5.241   6.723
  174   3HG2  VAL  23          2HG2      VAL  23   4.563  -5.826   7.933
  175    H    GLN  24           HN       GLN  24   0.968  -3.764   8.361
  176    HA   GLN  24           HA       GLN  24   0.931  -6.378   9.613
  177   1HB   GLN  24          2HB       GLN  24  -0.766  -3.909  10.079
  178   2HB   GLN  24          1HB       GLN  24  -0.785  -5.341  11.103
  179   1HG   GLN  24          2HG       GLN  24   1.913  -4.302  10.581
  180   2HG   GLN  24          1HG       GLN  24   0.881  -3.183  11.468
  181   1HE2  GLN  24          1HE2      GLN  24   1.928  -3.499  13.531
  182   2HE2  GLN  24          2HE2      GLN  24   1.848  -4.972  14.371
  183    H    THR  25           HN       THR  25  -1.618  -4.478   7.946
  184    HA   THR  25           HA       THR  25  -3.625  -6.491   8.059
  185    HB   THR  25           HB       THR  25  -3.332  -4.532   5.780
  186    HG1  THR  25           HG1      THR  25  -3.911  -2.954   7.093
  187   1HG2  THR  25          2HG2      THR  25  -5.560  -6.030   7.118
  188   2HG2  THR  25          1HG2      THR  25  -5.901  -4.490   6.328
  189   3HG2  THR  25          3HG2      THR  25  -5.228  -5.829   5.398
  190    H    ALA  26           HN       ALA  26  -1.452  -5.695   5.326
  191    HA   ALA  26           HA       ALA  26  -2.248  -7.816   3.628
  192   1HB   ALA  26          3HB       ALA  26  -0.612  -5.746   3.278
  193   2HB   ALA  26          2HB       ALA  26   0.616  -6.957   3.649
  194   3HB   ALA  26          1HB       ALA  26  -0.474  -7.195   2.282
  195    H    SER  27           HN       SER  27  -0.170  -7.829   6.442
  196    HA   SER  27           HA       SER  27   1.286 -10.233   5.917
  197   1HB   SER  27          2HB       SER  27   1.832  -8.668   7.768
  198   2HB   SER  27          1HB       SER  27   0.349  -9.145   8.591
  199    HG   SER  27           HG       SER  27   1.752 -10.532   9.426
  200    H    LYS  28           HN       LYS  28  -1.905  -9.655   7.347
  201    HA   LYS  28           HA       LYS  28  -2.432 -12.338   8.175
  202   1HB   LYS  28          2HB       LYS  28  -4.395 -10.220   7.246
  203   2HB   LYS  28          1HB       LYS  28  -4.798 -11.660   8.180
  204   1HG   LYS  28          2HG       LYS  28  -2.762  -9.651   9.154
  205   2HG   LYS  28          1HG       LYS  28  -4.482  -9.478   9.505
  206   1HD   LYS  28          2HD       LYS  28  -3.143 -12.107  10.049
  207   2HD   LYS  28          1HD       LYS  28  -2.921 -10.779  11.188
  208   1HE   LYS  28          2HE       LYS  28  -4.860 -11.566  12.095
  209   2HE   LYS  28          1HE       LYS  28  -5.614 -10.649  10.791
  210   1HZ   LYS  28          3HZ       LYS  28  -4.714 -13.398  10.280
  211   2HZ   LYS  28          2HZ       LYS  28  -6.172 -13.148  11.117
  212   3HZ   LYS  28          1HZ       LYS  28  -5.970 -12.524   9.550
  213    H    TYR  29           HN       TYR  29  -2.523 -10.803   5.027
  214    HA   TYR  29           HA       TYR  29  -4.042 -13.040   3.846
  215   1HB   TYR  29          2HB       TYR  29  -2.841 -10.524   2.645
  216   2HB   TYR  29          1HB       TYR  29  -3.683 -11.756   1.702
  217    HD1  TYR  29          2HD       TYR  29  -6.075 -12.309   2.209
  218    HD2  TYR  29          1HD       TYR  29  -4.061  -8.969   4.010
  219    HE1  TYR  29          2HE       TYR  29  -8.263 -11.344   2.864
  220    HE2  TYR  29          1HE       TYR  29  -6.250  -8.004   4.666
  221    HH   TYR  29           HH       TYR  29  -8.757  -9.271   5.104
  222    H    ASP  30           HN       ASP  30  -3.075 -14.808   3.054
  223    HA   ASP  30           HA       ASP  30  -0.218 -15.158   3.129
  224   1HB   ASP  30          2HB       ASP  30  -2.347 -16.829   1.756
  225   2HB   ASP  30          1HB       ASP  30  -0.688 -17.341   2.070
  226    H    ALA  31           HN       ALA  31  -2.439 -14.057   0.666
  227    HA   ALA  31           HA       ALA  31  -0.932 -14.618  -1.672
  228   1HB   ALA  31          1HB       ALA  31  -3.278 -13.698  -1.605
  229   2HB   ALA  31          3HB       ALA  31  -2.592 -12.131  -1.173
  230   3HB   ALA  31          2HB       ALA  31  -2.213 -12.860  -2.734
  231    H    ASP  32           HN       ASP  32   0.706 -13.480  -2.738
  232    HA   ASP  32           HA       ASP  32   2.318 -11.707  -1.015
  233   1HB   ASP  32          2HB       ASP  32   2.837 -12.937  -3.737
  234   2HB   ASP  32          1HB       ASP  32   3.988 -11.907  -2.884
  235    H    VAL  33           HN       VAL  33   1.253  -9.719  -1.024
  236    HA   VAL  33           HA       VAL  33   0.509  -8.496  -3.607
  237    HB   VAL  33           HB       VAL  33  -0.478  -6.710  -2.253
  238   1HG1  VAL  33          3HG1      VAL  33  -1.334  -9.338  -2.310
  239   2HG1  VAL  33          2HG1      VAL  33  -1.361  -8.975  -0.583
  240   3HG1  VAL  33          1HG1      VAL  33  -2.281  -7.977  -1.713
  241   1HG2  VAL  33          3HG2      VAL  33   0.758  -8.177   0.098
  242   2HG2  VAL  33          2HG2      VAL  33   1.242  -6.591  -0.499
  243   3HG2  VAL  33          1HG2      VAL  33  -0.351  -6.813   0.222
  244    H    ASN  34           HN       ASN  34   1.776  -7.014  -4.646
  245    HA   ASN  34           HA       ASN  34   4.162  -5.982  -3.161
  246   1HB   ASN  34          2HB       ASN  34   3.926  -6.793  -6.071
  247   2HB   ASN  34          1HB       ASN  34   5.341  -6.012  -5.361
  248   1HD2  ASN  34          2HD2      ASN  34   6.484  -9.338  -4.809
  249   2HD2  ASN  34          1HD2      ASN  34   6.676  -7.939  -5.751
  250    H    LEU  35           HN       LEU  35   4.382  -3.813  -3.128
  251    HA   LEU  35           HA       LEU  35   2.445  -2.151  -4.624
  252   1HB   LEU  35          2HB       LEU  35   2.899  -1.723  -2.201
  253   2HB   LEU  35          1HB       LEU  35   4.572  -1.341  -2.611
  254    HG   LEU  35           HG       LEU  35   3.590   0.388  -4.248
  255   1HD1  LEU  35          1HD1      LEU  35   1.171  -0.485  -2.701
  256   2HD1  LEU  35          3HD1      LEU  35   1.303   1.194  -3.222
  257   3HD1  LEU  35          2HD1      LEU  35   1.317  -0.102  -4.417
  258   1HD2  LEU  35          2HD2      LEU  35   4.639   0.787  -1.927
  259   2HD2  LEU  35          1HD2      LEU  35   3.594   2.061  -2.556
  260   3HD2  LEU  35          3HD2      LEU  35   2.984   0.939  -1.338
  261    H    GLU  36           HN       GLU  36   3.114  -0.572  -6.161
  262    HA   GLU  36           HA       GLU  36   5.973  -0.780  -7.030
  263   1HB   GLU  36          2HB       GLU  36   4.192  -1.897  -8.529
  264   2HB   GLU  36          1HB       GLU  36   3.681  -0.255  -8.922
  265   1HG   GLU  36          2HG       GLU  36   5.855   0.296  -9.799
  266   2HG   GLU  36          1HG       GLU  36   6.540  -1.214  -9.196
  267    H    TYR  37           HN       TYR  37   7.014   1.148  -7.053
  268    HA   TYR  37           HA       TYR  37   5.645   3.621  -7.798
  269   1HB   TYR  37          2HB       TYR  37   5.009   3.393  -5.403
  270   2HB   TYR  37          1HB       TYR  37   6.718   3.319  -4.973
  271    HD1  TYR  37          1HD       TYR  37   4.589   5.463  -7.218
  272    HD2  TYR  37          2HD       TYR  37   7.556   5.309  -4.115
  273    HE1  TYR  37          1HE       TYR  37   4.702   7.941  -7.201
  274    HE2  TYR  37          2HE       TYR  37   7.667   7.785  -4.097
  275    HH   TYR  37           HH       TYR  37   7.116   9.659  -5.981
  276    H    ASN  38           HN       ASN  38   7.117   5.071  -8.614
  277    HA   ASN  38           HA       ASN  38   9.171   5.918  -9.350
  278   1HB   ASN  38          2HB       ASN  38   9.383   5.734  -6.645
  279   2HB   ASN  38          1HB       ASN  38  10.708   4.678  -7.135
  280   1HD2  ASN  38          2HD2      ASN  38  12.090   7.556  -9.144
  281   2HD2  ASN  38          1HD2      ASN  38  11.448   6.042  -9.566
  282    H    GLY  39           HN       GLY  39   8.347   3.329 -10.312
  283   1HA   GLY  39          2HA       GLY  39   9.227   1.539 -11.549
  284   2HA   GLY  39          1HA       GLY  39  10.729   2.460 -11.603
  285    H    LYS  40           HN       LYS  40   9.259   1.487  -8.574
  286    HA   LYS  40           HA       LYS  40  11.379  -0.597  -8.244
  287   1HB   LYS  40          2HB       LYS  40  10.693   1.740  -6.502
  288   2HB   LYS  40          1HB       LYS  40  11.190   0.237  -5.723
  289   1HG   LYS  40          2HG       LYS  40  13.269   0.211  -6.974
  290   2HG   LYS  40          1HG       LYS  40  12.761   1.609  -7.923
  291   1HD   LYS  40          2HD       LYS  40  13.122   3.091  -6.193
  292   2HD   LYS  40          1HD       LYS  40  12.771   1.889  -4.951
  293   1HE   LYS  40          2HE       LYS  40  14.911   0.912  -5.119
  294   2HE   LYS  40          1HE       LYS  40  15.217   1.644  -6.694
  295   1HZ   LYS  40          1HZ       LYS  40  15.222   3.825  -5.604
  296   2HZ   LYS  40          3HZ       LYS  40  15.026   3.071  -4.097
  297   3HZ   LYS  40          2HZ       LYS  40  16.440   2.806  -5.000
  298    H    THR  41           HN       THR  41  10.295  -2.497  -8.063
  299    HA   THR  41           HA       THR  41   7.576  -2.521  -6.890
  300    HB   THR  41           HB       THR  41   9.140  -4.812  -8.113
  301    HG1  THR  41           HG1      THR  41   7.192  -3.113  -9.276
  302   1HG2  THR  41          3HG2      THR  41   6.953  -4.989  -6.557
  303   2HG2  THR  41          2HG2      THR  41   6.169  -4.651  -8.101
  304   3HG2  THR  41          1HG2      THR  41   7.221  -6.057  -7.935
  305    H    VAL  42           HN       VAL  42   8.039  -2.247  -4.665
  306    HA   VAL  42           HA       VAL  42   9.728  -4.354  -3.392
  307    HB   VAL  42           HB       VAL  42   9.179  -2.876  -1.273
  308   1HG1  VAL  42          1HG1      VAL  42  11.347  -3.161  -2.899
  309   2HG1  VAL  42          3HG1      VAL  42  11.076  -1.420  -2.997
  310   3HG1  VAL  42          2HG1      VAL  42  11.320  -2.190  -1.427
  311   1HG2  VAL  42          1HG2      VAL  42   7.579  -1.403  -2.538
  312   2HG2  VAL  42          3HG2      VAL  42   8.882  -0.516  -1.747
  313   3HG2  VAL  42          2HG2      VAL  42   8.945  -0.811  -3.485
  314    H    ASN  43           HN       ASN  43   8.858  -5.697  -1.795
  315    HA   ASN  43           HA       ASN  43   6.041  -6.315  -2.032
  316   1HB   ASN  43          2HB       ASN  43   8.028  -7.870  -1.353
  317   2HB   ASN  43          1HB       ASN  43   7.789  -7.201   0.262
  318   1HD2  ASN  43          2HD2      ASN  43   5.601 -10.274  -0.333
  319   2HD2  ASN  43          1HD2      ASN  43   7.250 -10.003  -0.631
  320    H    LEU  44           HN       LEU  44   4.370  -5.813  -0.513
  321    HA   LEU  44           HA       LEU  44   4.663  -3.344   0.901
  322   1HB   LEU  44          2HB       LEU  44   2.479  -4.336   0.098
  323   2HB   LEU  44          1HB       LEU  44   2.556  -5.423   1.489
  324    HG   LEU  44           HG       LEU  44   3.014  -3.160   2.796
  325   1HD1  LEU  44          2HD1      LEU  44   1.649  -2.297   0.261
  326   2HD1  LEU  44          1HD1      LEU  44   1.534  -1.368   1.760
  327   3HD1  LEU  44          3HD1      LEU  44   3.109  -1.639   1.006
  328   1HD2  LEU  44          3HD2      LEU  44   0.620  -4.668   2.094
  329   2HD2  LEU  44          2HD2      LEU  44   1.146  -4.037   3.653
  330   3HD2  LEU  44          1HD2      LEU  44   0.269  -2.997   2.533
  331    H    LYS  45           HN       LYS  45   5.667  -6.509   1.777
  332    HA   LYS  45           HA       LYS  45   5.517  -5.975   4.669
  333   1HB   LYS  45          2HB       LYS  45   6.720  -8.258   3.067
  334   2HB   LYS  45          1HB       LYS  45   6.719  -8.181   4.828
  335   1HG   LYS  45          2HG       LYS  45   4.617  -8.984   4.900
  336   2HG   LYS  45          1HG       LYS  45   4.047  -7.662   3.883
  337   1HD   LYS  45          2HD       LYS  45   4.805  -8.941   1.871
  338   2HD   LYS  45          1HD       LYS  45   5.234 -10.285   2.930
  339   1HE   LYS  45          2HE       LYS  45   2.740  -9.964   3.785
  340   2HE   LYS  45          1HE       LYS  45   2.528  -9.245   2.188
  341   1HZ   LYS  45          2HZ       LYS  45   3.659 -11.309   1.314
  342   2HZ   LYS  45          1HZ       LYS  45   3.422 -11.985   2.855
  343   3HZ   LYS  45          3HZ       LYS  45   2.085 -11.515   1.922
  344    H    SER  46           HN       SER  46   6.901  -3.930   3.503
  345    HA   SER  46           HA       SER  46   9.624  -4.347   4.565
  346   1HB   SER  46          2HB       SER  46   9.968  -4.932   2.229
  347   2HB   SER  46          1HB       SER  46   9.085  -3.506   1.688
  348    HG   SER  46           HG       SER  46  11.541  -3.606   3.117
  349    H    ILE  47           HN       ILE  47   8.840  -2.874   6.155
  350    HA   ILE  47           HA       ILE  47   7.684  -0.328   5.559
  351    HB   ILE  47           HB       ILE  47   9.307  -1.089   8.001
  352   1HG1  ILE  47          2HG1      ILE  47   6.364  -1.480   7.333
  353   2HG1  ILE  47          1HG1      ILE  47   7.551  -2.749   7.610
  354   1HG2  ILE  47          3HG2      ILE  47   8.399   1.376   7.306
  355   2HG2  ILE  47          2HG2      ILE  47   6.965   0.741   8.112
  356   3HG2  ILE  47          1HG2      ILE  47   8.499   0.825   8.978
  357   1HD1  ILE  47          2HD1      ILE  47   7.854  -1.429   9.922
  358   2HD1  ILE  47          1HD1      ILE  47   6.180  -0.988   9.582
  359   3HD1  ILE  47          3HD1      ILE  47   6.634  -2.686   9.715
  360    H    MET  48           HN       MET  48  11.048  -1.345   6.109
  361    HA   MET  48           HA       MET  48  12.133   1.331   5.891
  362   1HB   MET  48          2HB       MET  48  13.291  -0.563   7.045
  363   2HB   MET  48          1HB       MET  48  13.532  -1.326   5.474
  364   1HG   MET  48          2HG       MET  48  15.547  -0.153   5.844
  365   2HG   MET  48          1HG       MET  48  14.627   0.908   4.776
  366   1HE   MET  48          3HE       MET  48  16.977   1.798   6.162
  367   2HE   MET  48          2HE       MET  48  16.817   2.806   7.597
  368   3HE   MET  48          1HE       MET  48  16.888   1.054   7.764
  369    H    GLY  49           HN       GLY  49  11.305  -1.197   3.608
  370   1HA   GLY  49          2HA       GLY  49  12.857  -0.116   1.403
  371   2HA   GLY  49          1HA       GLY  49  11.591  -1.336   1.274
  372    H    VAL  50           HN       VAL  50   9.710   0.549   2.767
  373    HA   VAL  50           HA       VAL  50   8.691   1.892   0.375
  374    HB   VAL  50           HB       VAL  50   7.682   2.017   3.235
  375   1HG1  VAL  50          1HG1      VAL  50   6.954   3.711   1.346
  376   2HG1  VAL  50          3HG1      VAL  50   6.005   2.342   0.766
  377   3HG1  VAL  50          2HG1      VAL  50   5.735   2.978   2.388
  378   1HG2  VAL  50          3HG2      VAL  50   7.879  -0.261   1.748
  379   2HG2  VAL  50          2HG2      VAL  50   6.593   0.029   2.918
  380   3HG2  VAL  50          1HG2      VAL  50   6.313   0.339   1.204
  381    H    VAL  51           HN       VAL  51  10.382   2.804   3.328
  382    HA   VAL  51           HA       VAL  51   9.956   5.662   2.991
  383    HB   VAL  51           HB       VAL  51  12.108   4.248   4.594
  384   1HG1  VAL  51          2HG1      VAL  51  11.012   7.045   4.469
  385   2HG1  VAL  51          1HG1      VAL  51  11.659   6.429   5.990
  386   3HG1  VAL  51          3HG1      VAL  51  12.691   6.512   4.562
  387   1HG2  VAL  51          1HG2      VAL  51   9.189   4.642   5.031
  388   2HG2  VAL  51          3HG2      VAL  51  10.255   3.374   5.633
  389   3HG2  VAL  51          2HG2      VAL  51  10.239   4.954   6.414
  390    H    SER  52           HN       SER  52  12.330   3.333   1.870
  391    HA   SER  52           HA       SER  52  14.423   5.142   1.170
  392   1HB   SER  52          2HB       SER  52  14.978   3.331  -0.563
  393   2HB   SER  52          1HB       SER  52  14.946   2.825   1.124
  394    HG   SER  52           HG       SER  52  13.111   1.766   0.786
  395    H    LEU  53           HN       LEU  53  11.375   4.383  -0.391
  396    HA   LEU  53           HA       LEU  53  12.061   5.521  -2.967
  397   1HB   LEU  53          2HB       LEU  53   9.487   4.749  -1.605
  398   2HB   LEU  53          1HB       LEU  53   9.459   5.633  -3.131
  399    HG   LEU  53           HG       LEU  53  11.148   3.810  -3.936
  400   1HD1  LEU  53          2HD1      LEU  53   9.922   2.581  -1.461
  401   2HD1  LEU  53          1HD1      LEU  53  10.570   1.596  -2.773
  402   3HD1  LEU  53          3HD1      LEU  53  11.630   2.694  -1.887
  403   1HD2  LEU  53          3HD2      LEU  53   8.198   3.310  -3.441
  404   2HD2  LEU  53          2HD2      LEU  53   8.941   3.981  -4.894
  405   3HD2  LEU  53          1HD2      LEU  53   9.195   2.286  -4.476
  406    H    GLY  54           HN       GLY  54   9.504   6.760  -0.804
  407   1HA   GLY  54          2HA       GLY  54   9.818   9.034   0.228
  408   2HA   GLY  54          1HA       GLY  54  10.592   9.508  -1.283
  409    H    ILE  55           HN       ILE  55   7.544   7.820  -0.445
  410    HA   ILE  55           HA       ILE  55   6.125   9.082  -2.645
  411    HB   ILE  55           HB       ILE  55   5.045   7.571  -0.240
  412   1HG1  ILE  55          2HG1      ILE  55   5.291   6.400  -2.982
  413   2HG1  ILE  55          1HG1      ILE  55   6.754   6.524  -2.005
  414   1HG2  ILE  55          3HG2      ILE  55   3.403   9.001  -1.521
  415   2HG2  ILE  55          2HG2      ILE  55   3.783   8.050  -2.957
  416   3HG2  ILE  55          1HG2      ILE  55   3.037   7.276  -1.558
  417   1HD1  ILE  55          1HD1      ILE  55   5.548   5.351  -0.148
  418   2HD1  ILE  55          3HD1      ILE  55   4.179   5.121  -1.236
  419   3HD1  ILE  55          2HD1      ILE  55   5.729   4.358  -1.595
  420    H    ALA  56           HN       ALA  56   4.477  10.683  -2.470
  421    HA   ALA  56           HA       ALA  56   4.425  12.198   0.102
  422   1HB   ALA  56          2HB       ALA  56   5.760  13.026  -2.188
  423   2HB   ALA  56          1HB       ALA  56   4.220  13.882  -2.288
  424   3HB   ALA  56          3HB       ALA  56   5.245  14.073  -0.865
  425    H    LYS  57           HN       LYS  57   2.690  14.247  -0.918
  426    HA   LYS  57           HA       LYS  57   0.153  12.753  -0.912
  427   1HB   LYS  57          2HB       LYS  57  -0.857  15.047  -0.764
  428   2HB   LYS  57          1HB       LYS  57   0.303  14.710   0.521
  429   1HG   LYS  57          2HG       LYS  57   1.917  16.125  -0.373
  430   2HG   LYS  57          1HG       LYS  57   1.277  15.990  -2.011
  431   1HD   LYS  57          2HD       LYS  57  -0.853  17.124  -0.776
  432   2HD   LYS  57          1HD       LYS  57   0.453  17.793   0.202
  433   1HE   LYS  57          2HE       LYS  57   0.594  19.357  -1.441
  434   2HE   LYS  57          1HE       LYS  57   1.456  18.105  -2.335
  435   1HZ   LYS  57          2HZ       LYS  57  -0.920  17.371  -2.994
  436   2HZ   LYS  57          1HZ       LYS  57  -1.348  18.961  -2.571
  437   3HZ   LYS  57          3HZ       LYS  57  -0.201  18.687  -3.792
  438    H    GLY  58           HN       GLY  58   1.009  11.951  -3.205
  439   1HA   GLY  58          2HA       GLY  58  -0.708  12.592  -5.218
  440   2HA   GLY  58          1HA       GLY  58   0.527  13.840  -5.396
  441    H    ALA  59           HN       ALA  59   0.558  10.326  -4.701
  442    HA   ALA  59           HA       ALA  59   2.440  10.000  -7.000
  443   1HB   ALA  59          3HB       ALA  59   2.863   9.373  -4.143
  444   2HB   ALA  59          2HB       ALA  59   3.294   8.072  -5.252
  445   3HB   ALA  59          1HB       ALA  59   4.045   9.659  -5.418
  446    H    GLU  60           HN       GLU  60   1.816   8.376  -8.349
  447    HA   GLU  60           HA       GLU  60  -0.538   6.765  -7.631
  448   1HB   GLU  60          2HB       GLU  60   1.140   6.755 -10.162
  449   2HB   GLU  60          1HB       GLU  60  -0.436   5.990  -9.957
  450   1HG   GLU  60          2HG       GLU  60  -1.180   7.969 -10.837
  451   2HG   GLU  60          1HG       GLU  60  -1.054   8.496  -9.157
  452    H    ILE  61           HN       ILE  61  -0.440   4.706  -6.900
  453    HA   ILE  61           HA       ILE  61   2.150   3.233  -7.150
  454    HB   ILE  61           HB       ILE  61   1.539   2.160  -4.955
  455   1HG1  ILE  61          2HG1      ILE  61  -0.540   4.375  -4.889
  456   2HG1  ILE  61          1HG1      ILE  61  -0.903   2.664  -5.103
  457   1HG2  ILE  61          2HG2      ILE  61   2.903   4.426  -5.408
  458   2HG2  ILE  61          1HG2      ILE  61   1.594   5.097  -4.435
  459   3HG2  ILE  61          3HG2      ILE  61   2.617   3.821  -3.777
  460   1HD1  ILE  61          2HD1      ILE  61   0.800   3.322  -2.768
  461   2HD1  ILE  61          1HD1      ILE  61  -0.869   3.886  -2.679
  462   3HD1  ILE  61          3HD1      ILE  61  -0.528   2.170  -2.906
  463    H    THR  62           HN       THR  62   1.984   1.181  -7.981
  464    HA   THR  62           HA       THR  62  -0.764   0.201  -8.604
  465    HB   THR  62           HB       THR  62   1.793  -0.864  -9.802
  466    HG1  THR  62           HG1      THR  62   0.236   1.344 -10.664
  467   1HG2  THR  62          2HG2      THR  62  -1.137  -0.877 -10.475
  468   2HG2  THR  62          1HG2      THR  62   0.066  -1.107 -11.743
  469   3HG2  THR  62          3HG2      THR  62  -0.015  -2.233 -10.389
  470    H    ILE  63           HN       ILE  63  -1.484  -1.355  -7.252
  471    HA   ILE  63           HA       ILE  63   0.504  -3.078  -5.856
  472    HB   ILE  63           HB       ILE  63  -2.437  -2.557  -5.297
  473   1HG1  ILE  63          2HG1      ILE  63   0.064  -1.756  -3.776
  474   2HG1  ILE  63          1HG1      ILE  63  -0.863  -0.678  -4.815
  475   1HG2  ILE  63          2HG2      ILE  63  -0.413  -4.408  -4.052
  476   2HG2  ILE  63          1HG2      ILE  63  -1.707  -3.723  -3.068
  477   3HG2  ILE  63          3HG2      ILE  63  -2.098  -4.725  -4.467
  478   1HD1  ILE  63          3HD1      ILE  63  -2.694  -1.936  -3.013
  479   2HD1  ILE  63          2HD1      ILE  63  -1.335  -1.321  -2.071
  480   3HD1  ILE  63          1HD1      ILE  63  -2.254  -0.231  -3.107
  481    H    SER  64           HN       SER  64   0.156  -5.382  -5.819
  482    HA   SER  64           HA       SER  64  -1.845  -6.503  -7.678
  483   1HB   SER  64          2HB       SER  64   0.121  -7.909  -8.685
  484   2HB   SER  64          1HB       SER  64  -0.167  -6.281  -9.293
  485    HG   SER  64           HG       SER  64   1.992  -6.439  -8.810
  486    H    ALA  65           HN       ALA  65  -2.783  -7.801  -6.146
  487    HA   ALA  65           HA       ALA  65  -1.098  -9.367  -4.285
  488   1HB   ALA  65          2HB       ALA  65  -3.185  -8.308  -3.461
  489   2HB   ALA  65          1HB       ALA  65  -4.116  -9.267  -4.613
  490   3HB   ALA  65          3HB       ALA  65  -3.247 -10.064  -3.302
  491    H    SER  66           HN       SER  66  -0.523 -11.459  -4.726
  492    HA   SER  66           HA       SER  66  -2.131 -12.966  -6.742
  493   1HB   SER  66          2HB       SER  66   0.781 -13.475  -6.696
  494   2HB   SER  66          1HB       SER  66  -0.330 -13.449  -8.056
  495    HG   SER  66           HG       SER  66   0.185 -11.442  -8.373
  496    H    GLY  67           HN       GLY  67  -3.038 -14.533  -5.477
  497   1HA   GLY  67          2HA       GLY  67  -1.502 -16.681  -4.444
  498   2HA   GLY  67          1HA       GLY  67  -1.887 -15.610  -3.097
  499    H    ALA  68           HN       ALA  68  -3.340 -17.012  -2.073
  500    HA   ALA  68           HA       ALA  68  -5.522 -18.296  -3.505
  501   1HB   ALA  68          1HB       ALA  68  -4.663 -18.037  -0.653
  502   2HB   ALA  68          3HB       ALA  68  -6.339 -18.483  -0.972
  503   3HB   ALA  68          2HB       ALA  68  -5.027 -19.489  -1.586
  504    H    ASP  69           HN       ASP  69  -5.751 -15.991  -0.783
  505    HA   ASP  69           HA       ASP  69  -8.219 -14.899  -2.032
  506   1HB   ASP  69          2HB       ASP  69  -8.530 -13.809   0.229
  507   2HB   ASP  69          1HB       ASP  69  -8.522 -15.572   0.267
  508    H    GLU  70           HN       GLU  70  -6.094 -14.075  -3.443
  509    HA   GLU  70           HA       GLU  70  -4.672 -11.786  -2.550
  510   1HB   GLU  70          2HB       GLU  70  -4.384 -11.271  -4.964
  511   2HB   GLU  70          1HB       GLU  70  -4.060 -12.966  -4.603
  512   1HG   GLU  70          2HG       GLU  70  -6.593 -13.306  -5.185
  513   2HG   GLU  70          1HG       GLU  70  -6.431 -11.753  -6.002
  514    H    ASN  71           HN       ASN  71  -7.828 -12.024  -4.188
  515    HA   ASN  71           HA       ASN  71  -8.289  -9.225  -4.468
  516   1HB   ASN  71          2HB       ASN  71 -10.000 -11.673  -4.429
  517   2HB   ASN  71          1HB       ASN  71 -10.797 -10.109  -4.248
  518   1HD2  ASN  71          2HD2      ASN  71  -9.278 -11.191  -7.860
  519   2HD2  ASN  71          1HD2      ASN  71  -9.124 -12.204  -6.506
  520    H    ASP  72           HN       ASP  72  -8.622 -11.382  -1.723
  521    HA   ASP  72           HA       ASP  72 -10.228  -9.541  -0.138
  522   1HB   ASP  72          2HB       ASP  72  -8.562 -11.898   0.783
  523   2HB   ASP  72          1HB       ASP  72  -9.863 -11.115   1.681
  524    H    ALA  73           HN       ALA  73  -6.813  -9.968  -0.727
  525    HA   ALA  73           HA       ALA  73  -5.991  -8.524   1.680
  526   1HB   ALA  73          2HB       ALA  73  -4.534 -10.234   0.624
  527   2HB   ALA  73          1HB       ALA  73  -4.392  -9.204  -0.802
  528   3HB   ALA  73          3HB       ALA  73  -3.740  -8.662   0.744
  529    H    LEU  74           HN       LEU  74  -6.107  -7.759  -1.826
  530    HA   LEU  74           HA       LEU  74  -5.097  -5.110  -1.551
  531   1HB   LEU  74          2HB       LEU  74  -6.079  -4.687  -3.778
  532   2HB   LEU  74          1HB       LEU  74  -5.207  -6.214  -3.723
  533    HG   LEU  74           HG       LEU  74  -7.641  -7.122  -3.059
  534   1HD1  LEU  74          1HD1      LEU  74  -8.275  -4.513  -3.513
  535   2HD1  LEU  74          3HD1      LEU  74  -8.491  -5.173  -5.135
  536   3HD1  LEU  74          2HD1      LEU  74  -9.403  -5.842  -3.782
  537   1HD2  LEU  74          3HD2      LEU  74  -6.303  -6.635  -5.692
  538   2HD2  LEU  74          2HD2      LEU  74  -6.631  -8.159  -4.870
  539   3HD2  LEU  74          1HD2      LEU  74  -7.936  -7.299  -5.687
  540    H    ASN  75           HN       ASN  75  -8.495  -6.263  -1.575
  541    HA   ASN  75           HA       ASN  75  -9.552  -3.593  -1.233
  542   1HB   ASN  75          2HB       ASN  75 -11.694  -4.703  -0.728
  543   2HB   ASN  75          1HB       ASN  75 -10.950  -5.395  -2.166
  544   1HD2  ASN  75          2HD2      ASN  75 -12.065  -8.165   0.131
  545   2HD2  ASN  75          1HD2      ASN  75 -12.866  -6.848  -0.579
  546    H    ALA  76           HN       ALA  76  -8.270  -6.013   0.940
  547    HA   ALA  76           HA       ALA  76  -9.454  -5.091   3.377
  548   1HB   ALA  76          2HB       ALA  76  -7.367  -6.923   2.592
  549   2HB   ALA  76          1HB       ALA  76  -6.793  -5.931   3.931
  550   3HB   ALA  76          3HB       ALA  76  -8.273  -6.872   4.103
  551    H    LEU  77           HN       LEU  77  -6.145  -4.431   2.144
  552    HA   LEU  77           HA       LEU  77  -5.672  -2.232   3.912
  553   1HB   LEU  77          2HB       LEU  77  -4.456  -2.641   1.166
  554   2HB   LEU  77          1HB       LEU  77  -3.766  -1.735   2.512
  555    HG   LEU  77           HG       LEU  77  -4.345  -4.327   3.523
  556   1HD1  LEU  77          2HD1      LEU  77  -4.164  -4.616   0.808
  557   2HD1  LEU  77          1HD1      LEU  77  -2.480  -4.823   1.285
  558   3HD1  LEU  77          3HD1      LEU  77  -3.725  -5.868   1.969
  559   1HD2  LEU  77          3HD2      LEU  77  -2.367  -2.518   3.756
  560   2HD2  LEU  77          2HD2      LEU  77  -2.160  -4.206   4.219
  561   3HD2  LEU  77          1HD2      LEU  77  -1.583  -3.645   2.652
  562    H    GLU  78           HN       GLU  78  -7.465  -2.477   0.921
  563    HA   GLU  78           HA       GLU  78  -7.345   0.235   0.057
  564   1HB   GLU  78          2HB       GLU  78  -8.293  -1.601  -1.303
  565   2HB   GLU  78          1HB       GLU  78  -9.643  -1.734  -0.179
  566   1HG   GLU  78          2HG       GLU  78  -9.614   0.975  -0.817
  567   2HG   GLU  78          1HG       GLU  78  -9.203   0.195  -2.343
  568    H    GLU  79           HN       GLU  79  -9.808  -1.358   2.152
  569    HA   GLU  79           HA       GLU  79 -11.218   1.077   2.700
  570   1HB   GLU  79          2HB       GLU  79 -12.384  -0.148   4.419
  571   2HB   GLU  79          1HB       GLU  79 -12.130  -1.247   3.069
  572   1HG   GLU  79          2HG       GLU  79  -9.847  -1.598   4.617
  573   2HG   GLU  79          1HG       GLU  79 -11.118  -1.401   5.816
  574    H    THR  80           HN       THR  80  -8.363  -0.381   4.122
  575    HA   THR  80           HA       THR  80  -8.311   1.175   6.544
  576    HB   THR  80           HB       THR  80  -5.951   0.075   4.984
  577    HG1  THR  80           HG1      THR  80  -6.880  -1.745   5.442
  578   1HG2  THR  80          2HG2      THR  80  -6.370   0.961   7.843
  579   2HG2  THR  80          1HG2      THR  80  -5.032  -0.085   7.368
  580   3HG2  THR  80          3HG2      THR  80  -5.164   1.537   6.691
  581    H    MET  81           HN       MET  81  -7.228   1.757   3.249
  582    HA   MET  81           HA       MET  81  -5.743   4.172   3.826
  583   1HB   MET  81          2HB       MET  81  -6.755   2.781   1.381
  584   2HB   MET  81          1HB       MET  81  -6.313   4.480   1.235
  585   1HG   MET  81          2HG       MET  81  -4.405   2.719   2.694
  586   2HG   MET  81          1HG       MET  81  -4.515   2.495   0.948
  587   1HE   MET  81          2HE       MET  81  -1.994   3.274   2.510
  588   2HE   MET  81          1HE       MET  81  -1.928   3.203   0.751
  589   3HE   MET  81          3HE       MET  81  -1.273   4.604   1.608
  590    H    LYS  82           HN       LYS  82  -9.110   3.429   3.192
  591    HA   LYS  82           HA       LYS  82  -9.824   6.252   2.773
  592   1HB   LYS  82          2HB       LYS  82 -11.321   3.646   2.788
  593   2HB   LYS  82          1HB       LYS  82 -12.205   5.169   2.896
  594   1HG   LYS  82          2HG       LYS  82 -11.670   5.791   0.751
  595   2HG   LYS  82          1HG       LYS  82 -10.095   4.998   0.804
  596   1HD   LYS  82          2HD       LYS  82 -10.978   2.908   0.267
  597   2HD   LYS  82          1HD       LYS  82 -12.588   3.325   0.856
  598   1HE   LYS  82          2HE       LYS  82 -13.157   4.457  -1.080
  599   2HE   LYS  82          1HE       LYS  82 -11.485   4.880  -1.448
  600   1HZ   LYS  82          1HZ       LYS  82 -12.529   2.108  -1.571
  601   2HZ   LYS  82          3HZ       LYS  82 -12.485   3.144  -2.913
  602   3HZ   LYS  82          2HZ       LYS  82 -11.038   2.681  -2.152
  603    H    SER  83           HN       SER  83  -9.555   4.060   5.449
  604    HA   SER  83           HA       SER  83 -11.498   5.369   7.162
  605   1HB   SER  83          2HB       SER  83 -10.040   4.136   8.966
  606   2HB   SER  83          1HB       SER  83 -11.027   3.189   7.857
  607    HG   SER  83           HG       SER  83  -8.513   2.899   8.217
  608    H    GLU  84           HN       GLU  84  -7.938   5.207   7.533
  609    HA   GLU  84           HA       GLU  84  -7.804   7.484   9.259
  610   1HB   GLU  84          2HB       GLU  84  -5.787   5.988   7.597
  611   2HB   GLU  84          1HB       GLU  84  -5.325   7.471   8.433
  612   1HG   GLU  84          2HG       GLU  84  -6.539   6.288  10.480
  613   2HG   GLU  84          1HG       GLU  84  -6.138   4.828   9.574
  614    H    GLY  85           HN       GLY  85  -7.823   7.168   5.765
  615   1HA   GLY  85          2HA       GLY  85  -8.443   8.986   4.300
  616   2HA   GLY  85          1HA       GLY  85  -7.949  10.127   5.552
  617    H    LEU  86           HN       LEU  86  -6.050   7.356   4.476
  618    HA   LEU  86           HA       LEU  86  -3.758   9.103   3.958
  619   1HB   LEU  86          2HB       LEU  86  -4.153   6.110   3.711
  620   2HB   LEU  86          1HB       LEU  86  -2.621   6.927   3.401
  621    HG   LEU  86           HG       LEU  86  -4.159   7.110   6.007
  622   1HD1  LEU  86          3HD1      LEU  86  -3.087   4.839   5.298
  623   2HD1  LEU  86          2HD1      LEU  86  -1.556   5.658   5.603
  624   3HD1  LEU  86          1HD1      LEU  86  -2.733   5.477   6.904
  625   1HD2  LEU  86          3HD2      LEU  86  -1.578   8.237   4.958
  626   2HD2  LEU  86          2HD2      LEU  86  -2.824   9.024   5.928
  627   3HD2  LEU  86          1HD2      LEU  86  -1.722   7.869   6.677
  628    H    GLY  87           HN       GLY  87  -5.731   6.835   2.012
  629   1HA   GLY  87          2HA       GLY  87  -5.493   8.560  -0.331
  630   2HA   GLY  87          1HA       GLY  87  -4.575   7.061  -0.480
  631    H    GLU  88           HN       GLU  88  -6.408   7.134  -2.321
  632    HA   GLU  88           HA       GLU  88  -8.468   5.222  -1.407
  633   1HB   GLU  88          2HB       GLU  88 -10.240   6.508  -2.638
  634   2HB   GLU  88          1HB       GLU  88  -9.638   7.340  -1.205
  635   1HG   GLU  88          2HG       GLU  88  -8.050   8.604  -2.689
  636   2HG   GLU  88          1HG       GLU  88  -8.844   7.869  -4.083
   
  No H/Q in entry =         636
  Start of MODEL   16
    1   1H    ALA   2          1HT       ALA   2  -5.606  -9.381 -10.820
    2   2H    ALA   2          3HT       ALA   2  -4.775 -10.707 -10.164
    3   3H    ALA   2          2HT       ALA   2  -6.442 -10.818 -10.471
    4    HA   ALA   2           HA       ALA   2  -6.987  -9.349  -8.737
    5   1HB   ALA   2          2HB       ALA   2  -6.292 -11.688  -8.093
    6   2HB   ALA   2          1HB       ALA   2  -4.689 -11.049  -7.728
    7   3HB   ALA   2          3HB       ALA   2  -6.090 -10.498  -6.808
    8    H    GLN   3           HN       GLN   3  -6.418  -7.183  -8.932
    9    HA   GLN   3           HA       GLN   3  -4.237  -6.212  -7.328
   10   1HB   GLN   3          2HB       GLN   3  -2.975  -5.105  -9.214
   11   2HB   GLN   3          1HB       GLN   3  -2.811  -6.859  -9.166
   12   1HG   GLN   3          2HG       GLN   3  -4.741  -6.967 -10.823
   13   2HG   GLN   3          1HG       GLN   3  -4.567  -5.220 -11.006
   14   1HE2  GLN   3          2HE2      GLN   3  -1.943  -7.693 -12.850
   15   2HE2  GLN   3          1HE2      GLN   3  -3.248  -8.295 -11.947
   16    H    LYS   4           HN       LYS   4  -4.294  -3.891  -7.149
   17    HA   LYS   4           HA       LYS   4  -6.414  -2.489  -8.685
   18   1HB   LYS   4          2HB       LYS   4  -7.180  -3.507  -6.350
   19   2HB   LYS   4          1HB       LYS   4  -6.375  -2.070  -5.722
   20   1HG   LYS   4          2HG       LYS   4  -7.812  -1.000  -7.792
   21   2HG   LYS   4          1HG       LYS   4  -8.884  -2.300  -7.269
   22   1HD   LYS   4          2HD       LYS   4  -8.499  -1.417  -4.879
   23   2HD   LYS   4          1HD       LYS   4  -7.842   0.027  -5.652
   24   1HE   LYS   4          2HE       LYS   4 -10.625  -1.118  -6.021
   25   2HE   LYS   4          1HE       LYS   4 -10.203   0.395  -5.217
   26   1HZ   LYS   4          3HZ       LYS   4  -9.237   1.138  -7.358
   27   2HZ   LYS   4          2HZ       LYS   4  -9.860  -0.263  -8.090
   28   3HZ   LYS   4          1HZ       LYS   4 -10.914   0.889  -7.421
   29    H    THR   5           HN       THR   5  -6.087  -0.229  -8.786
   30    HA   THR   5           HA       THR   5  -3.342   0.627  -8.074
   31    HB   THR   5           HB       THR   5  -5.467   2.125  -9.635
   32    HG1  THR   5           HG1      THR   5  -4.939   0.195 -10.669
   33   1HG2  THR   5          3HG2      THR   5  -2.531   2.509  -9.102
   34   2HG2  THR   5          2HG2      THR   5  -3.262   3.152 -10.573
   35   3HG2  THR   5          1HG2      THR   5  -3.839   3.687  -8.995
   36    H    PHE   6           HN       PHE   6  -3.032   2.735  -7.005
   37    HA   PHE   6           HA       PHE   6  -5.348   3.723  -5.434
   38   1HB   PHE   6          2HB       PHE   6  -2.733   2.726  -4.272
   39   2HB   PHE   6          1HB       PHE   6  -3.864   3.740  -3.377
   40    HD1  PHE   6          1HD       PHE   6  -3.494   0.475  -5.125
   41    HD2  PHE   6          2HD       PHE   6  -5.852   2.837  -2.418
   42    HE1  PHE   6          1HE       PHE   6  -4.829  -1.531  -4.538
   43    HE2  PHE   6          2HE       PHE   6  -7.185   0.828  -1.832
   44    HZ   PHE   6           HZ       PHE   6  -6.677  -1.353  -2.890
   45    H    LYS   7           HN       LYS   7  -4.577   5.766  -4.167
   46    HA   LYS   7           HA       LYS   7  -2.457   7.217  -5.677
   47   1HB   LYS   7          2HB       LYS   7  -5.347   7.822  -5.575
   48   2HB   LYS   7          1HB       LYS   7  -4.304   9.199  -5.222
   49   1HG   LYS   7          2HG       LYS   7  -3.562   7.483  -7.548
   50   2HG   LYS   7          1HG       LYS   7  -4.963   8.539  -7.734
   51   1HD   LYS   7          2HD       LYS   7  -2.496   9.710  -6.525
   52   2HD   LYS   7          1HD       LYS   7  -2.494   9.406  -8.262
   53   1HE   LYS   7          2HE       LYS   7  -4.554  10.721  -8.513
   54   2HE   LYS   7          1HE       LYS   7  -4.602  10.998  -6.772
   55   1HZ   LYS   7          3HZ       LYS   7  -2.372  12.041  -6.998
   56   2HZ   LYS   7          2HZ       LYS   7  -2.540  11.936  -8.686
   57   3HZ   LYS   7          1HZ       LYS   7  -3.616  12.889  -7.780
   58    H    VAL   8           HN       VAL   8  -1.046   8.057  -4.247
   59    HA   VAL   8           HA       VAL   8  -1.621   8.094  -1.396
   60    HB   VAL   8           HB       VAL   8   0.728   9.365  -2.830
   61   1HG1  VAL   8          1HG1      VAL   8   0.400   9.949  -0.435
   62   2HG1  VAL   8          3HG1      VAL   8   0.420   8.230  -0.035
   63   3HG1  VAL   8          2HG1      VAL   8   1.865   9.000  -0.692
   64   1HG2  VAL   8          3HG2      VAL   8   0.457   6.988  -3.498
   65   2HG2  VAL   8          2HG2      VAL   8   1.887   7.221  -2.494
   66   3HG2  VAL   8          1HG2      VAL   8   0.423   6.527  -1.796
   67    H    THR   9           HN       THR   9  -2.947   9.643  -0.594
   68    HA   THR   9           HA       THR   9  -2.725  12.409  -1.708
   69    HB   THR   9           HB       THR   9  -5.037  11.389  -0.062
   70    HG1  THR   9           HG1      THR   9  -4.754  11.283  -2.881
   71   1HG2  THR   9          1HG2      THR   9  -4.501  13.881  -0.761
   72   2HG2  THR   9          3HG2      THR   9  -5.168  13.365  -2.310
   73   3HG2  THR   9          2HG2      THR   9  -6.153  13.267  -0.850
   74    H    ALA  10           HN       ALA  10  -2.205  10.478   1.114
   75    HA   ALA  10           HA       ALA  10  -2.613  12.379   3.184
   76   1HB   ALA  10          1HB       ALA  10  -0.776  10.014   2.866
   77   2HB   ALA  10          3HB       ALA  10  -0.676  11.035   4.300
   78   3HB   ALA  10          2HB       ALA  10  -2.178  10.192   3.923
   79    H    ASP  11           HN       ASP  11  -1.355  14.047   3.981
   80    HA   ASP  11           HA       ASP  11   0.537  15.308   2.229
   81   1HB   ASP  11          2HB       ASP  11  -0.931  16.159   4.351
   82   2HB   ASP  11          1HB       ASP  11   0.648  15.984   5.118
   83    H    SER  12           HN       SER  12   0.927  13.370   5.190
   84    HA   SER  12           HA       SER  12   3.768  13.621   5.385
   85   1HB   SER  12          2HB       SER  12   3.644  11.625   6.815
   86   2HB   SER  12          1HB       SER  12   2.342  12.742   7.211
   87    HG   SER  12           HG       SER  12   0.915  11.451   6.162
   88    H    GLY  13           HN       GLY  13   1.703  11.566   3.427
   89   1HA   GLY  13          2HA       GLY  13   2.407  10.505   1.393
   90   2HA   GLY  13          1HA       GLY  13   4.086  10.682   1.909
   91    H    ILE  14           HN       ILE  14   4.379   8.391   1.390
   92    HA   ILE  14           HA       ILE  14   3.067   6.536   3.328
   93    HB   ILE  14           HB       ILE  14   4.567   5.862   0.777
   94   1HG1  ILE  14          2HG1      ILE  14   1.578   5.918   1.303
   95   2HG1  ILE  14          1HG1      ILE  14   2.455   7.152   0.397
   96   1HG2  ILE  14          1HG2      ILE  14   4.300   4.177   2.768
   97   2HG2  ILE  14          3HG2      ILE  14   2.620   4.094   2.239
   98   3HG2  ILE  14          2HG2      ILE  14   3.917   3.640   1.133
   99   1HD1  ILE  14          3HD1      ILE  14   2.876   4.328  -0.446
  100   2HD1  ILE  14          2HD1      ILE  14   1.298   5.033  -0.800
  101   3HD1  ILE  14          1HD1      ILE  14   2.763   5.788  -1.426
  102   1HN   HIP  15           HN       HIP  15   4.614   7.320   4.994
  103    HA   HIP  15           HA       HIP  15   7.378   6.324   4.579
  104   1HB   HIP  15          1HB       HIP  15   7.168   8.688   5.273
  105   2HB   HIP  15          2HB       HIP  15   8.045   7.733   6.448
  106    HD2  HIP  15          2HD       HIP  15   4.224   8.794   6.126
  107    HE2  HIP  15          2HE       HIP  15   3.478   9.410   8.537
  108    HE1  HIP  15          1HE       HIP  15   5.393   9.093  10.159
  109    H    ALA  16           HN       ALA  16   7.978   6.015   7.381
  110    HA   ALA  16           HA       ALA  16   7.401   3.305   7.751
  111   1HB   ALA  16          3HB       ALA  16   8.983   5.074   9.021
  112   2HB   ALA  16          2HB       ALA  16   7.703   4.911  10.223
  113   3HB   ALA  16          1HB       ALA  16   8.591   3.486   9.683
  114    H    ARG  17           HN       ARG  17   5.548   6.070   9.105
  115    HA   ARG  17           HA       ARG  17   3.867   4.591  10.822
  116   1HB   ARG  17          2HB       ARG  17   3.657   7.196   9.428
  117   2HB   ARG  17          1HB       ARG  17   2.145   6.505  10.005
  118   1HG   ARG  17          2HG       ARG  17   4.244   6.247  12.010
  119   2HG   ARG  17          1HG       ARG  17   4.034   7.929  11.527
  120   1HD   ARG  17          2HD       ARG  17   2.503   7.556  13.330
  121   2HD   ARG  17          1HD       ARG  17   1.533   7.587  11.857
  122    HE   ARG  17           HE       ARG  17   2.208   4.895  12.262
  123   1HH1  ARG  17          HH11      ARG  17   1.987   5.562  15.161
  124   2HH1  ARG  17          HH12      ARG  17   0.300   5.323  15.469
  125   1HH2  ARG  17          HH21      ARG  17  -0.591   5.386  12.120
  126   2HH2  ARG  17          HH22      ARG  17  -1.160   5.224  13.748
  127    HA   PRO  18           HA       PRO  18   0.662   3.896   7.343
  128   1HB   PRO  18          2HB       PRO  18   1.382   4.528   4.760
  129   2HB   PRO  18          1HB       PRO  18   0.505   5.625   5.840
  130   1HG   PRO  18          2HG       PRO  18   3.403   5.649   5.078
  131   2HG   PRO  18          1HG       PRO  18   2.331   7.010   5.455
  132   1HD   PRO  18          2HD       PRO  18   4.200   5.975   7.231
  133   2HD   PRO  18          1HD       PRO  18   2.753   6.877   7.715
  134    H    ALA  19           HN       ALA  19   4.042   3.252   6.975
  135    HA   ALA  19           HA       ALA  19   3.705   0.975   5.165
  136   1HB   ALA  19          3HB       ALA  19   5.825   2.485   5.535
  137   2HB   ALA  19          2HB       ALA  19   6.134   1.396   6.887
  138   3HB   ALA  19          1HB       ALA  19   6.030   0.758   5.245
  139    H    THR  20           HN       THR  20   3.631   1.559   8.604
  140    HA   THR  20           HA       THR  20   4.000  -1.262   9.313
  141    HB   THR  20           HB       THR  20   2.843   0.722  11.224
  142    HG1  THR  20           HG1      THR  20   4.727   1.786  11.413
  143   1HG2  THR  20          1HG2      THR  20   4.774  -1.584  11.276
  144   2HG2  THR  20          3HG2      THR  20   4.726  -0.427  12.606
  145   3HG2  THR  20          2HG2      THR  20   3.288  -1.364  12.200
  146    H    VAL  21           HN       VAL  21   1.379   0.999   8.736
  147    HA   VAL  21           HA       VAL  21  -0.717  -0.665   9.867
  148    HB   VAL  21           HB       VAL  21  -1.012   1.466   7.759
  149   1HG1  VAL  21          3HG1      VAL  21  -2.906  -0.182   8.598
  150   2HG1  VAL  21          2HG1      VAL  21  -2.948   0.917   9.976
  151   3HG1  VAL  21          1HG1      VAL  21  -3.255   1.529   8.350
  152   1HG2  VAL  21          1HG2      VAL  21  -0.461   1.655  10.699
  153   2HG2  VAL  21          3HG2      VAL  21   0.096   2.699   9.391
  154   3HG2  VAL  21          2HG2      VAL  21  -1.562   2.829   9.977
  155    H    LEU  22           HN       LEU  22   0.702  -0.192   6.691
  156    HA   LEU  22           HA       LEU  22  -1.216  -1.886   5.317
  157   1HB   LEU  22          2HB       LEU  22   1.478  -0.760   4.522
  158   2HB   LEU  22          1HB       LEU  22   0.410  -1.640   3.422
  159    HG   LEU  22           HG       LEU  22  -0.396   0.855   4.949
  160   1HD1  LEU  22          3HD1      LEU  22   0.748   0.416   2.188
  161   2HD1  LEU  22          2HD1      LEU  22  -0.329   1.778   2.504
  162   3HD1  LEU  22          1HD1      LEU  22   1.191   1.634   3.388
  163   1HD2  LEU  22          1HD2      LEU  22  -1.690  -0.851   2.803
  164   2HD2  LEU  22          3HD2      LEU  22  -2.327  -0.450   4.398
  165   3HD2  LEU  22          2HD2      LEU  22  -2.225   0.793   3.151
  166    H    VAL  23           HN       VAL  23   2.159  -2.288   6.436
  167    HA   VAL  23           HA       VAL  23   2.554  -4.906   5.393
  168    HB   VAL  23           HB       VAL  23   4.389  -3.505   6.299
  169   1HG1  VAL  23          1HG1      VAL  23   2.985  -2.704   8.273
  170   2HG1  VAL  23          3HG1      VAL  23   3.359  -4.243   9.045
  171   3HG1  VAL  23          2HG1      VAL  23   4.659  -3.121   8.639
  172   1HG2  VAL  23          3HG2      VAL  23   4.218  -6.199   6.375
  173   2HG2  VAL  23          2HG2      VAL  23   5.646  -5.322   6.924
  174   3HG2  VAL  23          1HG2      VAL  23   4.450  -5.880   8.094
  175    H    GLN  24           HN       GLN  24   0.864  -3.792   8.263
  176    HA   GLN  24           HA       GLN  24   0.681  -6.406   9.518
  177   1HB   GLN  24          2HB       GLN  24  -0.877  -3.837   9.910
  178   2HB   GLN  24          1HB       GLN  24  -1.111  -5.280  10.894
  179   1HG   GLN  24          2HG       GLN  24   1.710  -4.560  10.658
  180   2HG   GLN  24          1HG       GLN  24   0.753  -3.267  11.374
  181   1HE2  GLN  24          2HE2      GLN  24   1.338  -5.088  14.396
  182   2HE2  GLN  24          1HE2      GLN  24   1.843  -3.754  13.474
  183    H    THR  25           HN       THR  25  -1.504  -4.470   7.465
  184    HA   THR  25           HA       THR  25  -3.710  -6.300   7.570
  185    HB   THR  25           HB       THR  25  -3.117  -4.575   5.173
  186    HG1  THR  25           HG1      THR  25  -4.199  -3.699   7.639
  187   1HG2  THR  25          3HG2      THR  25  -5.162  -6.121   5.434
  188   2HG2  THR  25          2HG2      THR  25  -5.707  -4.982   6.664
  189   3HG2  THR  25          1HG2      THR  25  -5.475  -4.440   5.002
  190    H    ALA  26           HN       ALA  26  -1.427  -5.763   4.859
  191    HA   ALA  26           HA       ALA  26  -2.187  -8.045   3.364
  192   1HB   ALA  26          2HB       ALA  26   0.225  -6.281   3.449
  193   2HB   ALA  26          1HB       ALA  26   0.333  -7.796   2.553
  194   3HB   ALA  26          3HB       ALA  26  -0.886  -6.598   2.117
  195    H    SER  27           HN       SER  27  -0.117  -7.769   6.176
  196    HA   SER  27           HA       SER  27   1.378 -10.186   5.893
  197   1HB   SER  27          2HB       SER  27   2.067  -8.708   7.624
  198   2HB   SER  27          1HB       SER  27   0.444  -8.613   8.300
  199    HG   SER  27           HG       SER  27   2.408 -10.324   8.878
  200    H    LYS  28           HN       LYS  28  -1.848  -9.546   7.204
  201    HA   LYS  28           HA       LYS  28  -2.342 -12.212   8.161
  202   1HB   LYS  28          2HB       LYS  28  -4.401 -10.209   7.186
  203   2HB   LYS  28          1HB       LYS  28  -4.663 -11.537   8.314
  204   1HG   LYS  28          2HG       LYS  28  -2.890  -9.121   8.805
  205   2HG   LYS  28          1HG       LYS  28  -4.470  -9.405   9.527
  206   1HD   LYS  28          2HD       LYS  28  -3.159 -11.741  10.135
  207   2HD   LYS  28          1HD       LYS  28  -1.850 -10.566  10.224
  208   1HE   LYS  28          2HE       LYS  28  -3.961  -9.287  11.519
  209   2HE   LYS  28          1HE       LYS  28  -4.103 -10.966  12.041
  210   1HZ   LYS  28          3HZ       LYS  28  -1.566  -9.432  12.097
  211   2HZ   LYS  28          2HZ       LYS  28  -2.607  -9.577  13.430
  212   3HZ   LYS  28          1HZ       LYS  28  -1.859 -10.957  12.779
  213    H    TYR  29           HN       TYR  29  -2.548 -10.693   5.006
  214    HA   TYR  29           HA       TYR  29  -4.024 -12.980   3.862
  215   1HB   TYR  29          2HB       TYR  29  -2.885 -10.471   2.583
  216   2HB   TYR  29          1HB       TYR  29  -3.831 -11.696   1.734
  217    HD1  TYR  29          2HD       TYR  29  -6.203 -12.126   2.380
  218    HD2  TYR  29          1HD       TYR  29  -3.936  -8.880   4.047
  219    HE1  TYR  29          2HE       TYR  29  -8.302 -11.065   3.168
  220    HE2  TYR  29          1HE       TYR  29  -6.034  -7.820   4.836
  221    HH   TYR  29           HH       TYR  29  -8.918  -9.407   5.071
  222    H    ASP  30           HN       ASP  30  -2.941 -14.755   3.241
  223    HA   ASP  30           HA       ASP  30  -0.081 -14.929   3.158
  224   1HB   ASP  30          2HB       ASP  30  -2.183 -16.771   1.983
  225   2HB   ASP  30          1HB       ASP  30  -0.478 -17.176   2.176
  226    H    ALA  31           HN       ALA  31  -2.351 -13.787   0.824
  227    HA   ALA  31           HA       ALA  31  -1.097 -14.502  -1.613
  228   1HB   ALA  31          3HB       ALA  31  -2.861 -12.253  -0.726
  229   2HB   ALA  31          2HB       ALA  31  -2.076 -12.132  -2.301
  230   3HB   ALA  31          1HB       ALA  31  -3.151 -13.486  -1.952
  231    H    ASP  32           HN       ASP  32   0.013 -12.767  -3.056
  232    HA   ASP  32           HA       ASP  32   2.194 -11.506  -1.448
  233   1HB   ASP  32          2HB       ASP  32   2.142 -12.651  -4.248
  234   2HB   ASP  32          1HB       ASP  32   3.451 -11.616  -3.678
  235    H    VAL  33           HN       VAL  33   1.050  -9.525  -1.140
  236    HA   VAL  33           HA       VAL  33   0.180  -8.014  -3.525
  237    HB   VAL  33           HB       VAL  33  -0.567  -6.327  -1.856
  238   1HG1  VAL  33          1HG1      VAL  33  -1.479  -9.091  -2.060
  239   2HG1  VAL  33          3HG1      VAL  33  -1.885  -8.396  -0.488
  240   3HG1  VAL  33          2HG1      VAL  33  -2.425  -7.606  -1.969
  241   1HG2  VAL  33          3HG2      VAL  33   1.261  -7.814  -0.174
  242   2HG2  VAL  33          2HG2      VAL  33   0.452  -6.285   0.156
  243   3HG2  VAL  33          1HG2      VAL  33  -0.344  -7.806   0.554
  244    H    ASN  34           HN       ASN  34   1.785  -7.018  -4.643
  245    HA   ASN  34           HA       ASN  34   4.043  -5.808  -3.100
  246   1HB   ASN  34          2HB       ASN  34   3.848  -6.812  -5.947
  247   2HB   ASN  34          1HB       ASN  34   5.200  -5.835  -5.373
  248   1HD2  ASN  34          2HD2      ASN  34   6.798  -8.745  -4.212
  249   2HD2  ASN  34          1HD2      ASN  34   6.915  -7.275  -5.054
  250    H    LEU  35           HN       LEU  35   4.319  -3.628  -3.186
  251    HA   LEU  35           HA       LEU  35   2.338  -2.030  -4.688
  252   1HB   LEU  35          2HB       LEU  35   2.998  -1.612  -2.244
  253   2HB   LEU  35          1HB       LEU  35   4.524  -0.991  -2.874
  254    HG   LEU  35           HG       LEU  35   2.100   0.079  -4.197
  255   1HD1  LEU  35          2HD1      LEU  35   1.767  -0.151  -1.549
  256   2HD1  LEU  35          1HD1      LEU  35   2.744   1.318  -1.561
  257   3HD1  LEU  35          3HD1      LEU  35   1.214   1.269  -2.436
  258   1HD2  LEU  35          1HD2      LEU  35   4.655   1.245  -3.048
  259   2HD2  LEU  35          3HD2      LEU  35   4.298   0.947  -4.749
  260   3HD2  LEU  35          2HD2      LEU  35   3.423   2.201  -3.871
  261    H    GLU  36           HN       GLU  36   2.955  -0.448  -6.242
  262    HA   GLU  36           HA       GLU  36   5.759  -0.707  -7.265
  263   1HB   GLU  36          2HB       GLU  36   4.030  -1.782  -8.733
  264   2HB   GLU  36          1HB       GLU  36   3.259  -0.205  -8.909
  265   1HG   GLU  36          2HG       GLU  36   4.889   0.587 -10.301
  266   2HG   GLU  36          1HG       GLU  36   6.174  -0.273  -9.453
  267    H    TYR  37           HN       TYR  37   6.729   1.193  -6.645
  268    HA   TYR  37           HA       TYR  37   5.158   3.697  -6.696
  269   1HB   TYR  37          2HB       TYR  37   6.611   3.188  -4.737
  270   2HB   TYR  37          1HB       TYR  37   8.017   3.227  -5.797
  271    HD1  TYR  37          1HD       TYR  37   4.995   5.458  -5.808
  272    HD2  TYR  37          2HD       TYR  37   9.223   5.128  -5.111
  273    HE1  TYR  37          1HE       TYR  37   5.144   7.917  -5.538
  274    HE2  TYR  37          2HE       TYR  37   9.369   7.588  -4.847
  275    HH   TYR  37           HH       TYR  37   7.276   9.679  -5.898
  276    H    ASN  38           HN       ASN  38   5.072   3.440  -9.126
  277    HA   ASN  38           HA       ASN  38   5.790   4.011 -11.288
  278   1HB   ASN  38          2HB       ASN  38   5.678   6.209  -9.946
  279   2HB   ASN  38          1HB       ASN  38   7.440   6.130  -9.922
  280   1HD2  ASN  38          2HD2      ASN  38   5.543   7.287 -13.302
  281   2HD2  ASN  38          1HD2      ASN  38   4.698   6.965 -11.866
  282    H    GLY  39           HN       GLY  39   7.115   2.103 -11.662
  283   1HA   GLY  39          2HA       GLY  39   9.142   1.408 -12.720
  284   2HA   GLY  39          1HA       GLY  39   9.953   2.798 -12.010
  285    H    LYS  40           HN       LYS  40   9.263   2.416  -9.289
  286    HA   LYS  40           HA       LYS  40  11.045   0.146  -8.664
  287   1HB   LYS  40          2HB       LYS  40   9.762   2.166  -6.800
  288   2HB   LYS  40          1HB       LYS  40  11.081   1.064  -6.404
  289   1HG   LYS  40          2HG       LYS  40  11.248   3.144  -8.601
  290   2HG   LYS  40          1HG       LYS  40  11.819   3.420  -6.955
  291   1HD   LYS  40          2HD       LYS  40  13.139   1.185  -7.319
  292   2HD   LYS  40          1HD       LYS  40  12.889   1.527  -9.031
  293   1HE   LYS  40          2HE       LYS  40  14.035   3.565  -7.112
  294   2HE   LYS  40          1HE       LYS  40  15.046   2.448  -8.030
  295   1HZ   LYS  40          1HZ       LYS  40  14.062   3.298 -10.070
  296   2HZ   LYS  40          3HZ       LYS  40  13.110   4.384  -9.180
  297   3HZ   LYS  40          2HZ       LYS  40  14.800   4.547  -9.187
  298    H    THR  41           HN       THR  41  10.408  -1.411  -6.952
  299    HA   THR  41           HA       THR  41   7.508  -1.691  -6.459
  300    HB   THR  41           HB       THR  41   9.091  -3.917  -7.775
  301    HG1  THR  41           HG1      THR  41   8.252  -3.281  -9.628
  302   1HG2  THR  41          1HG2      THR  41   6.942  -4.166  -6.170
  303   2HG2  THR  41          3HG2      THR  41   6.121  -3.836  -7.696
  304   3HG2  THR  41          2HG2      THR  41   7.214  -5.214  -7.563
  305    H    VAL  42           HN       VAL  42   7.652  -1.768  -4.258
  306    HA   VAL  42           HA       VAL  42   9.641  -3.651  -3.058
  307    HB   VAL  42           HB       VAL  42   8.957  -2.337  -0.888
  308   1HG1  VAL  42          2HG1      VAL  42  11.144  -2.333  -2.344
  309   2HG1  VAL  42          1HG1      VAL  42  10.599  -0.719  -2.800
  310   3HG1  VAL  42          3HG1      VAL  42  10.904  -1.102  -1.104
  311   1HG2  VAL  42          1HG2      VAL  42   7.180  -1.066  -2.364
  312   2HG2  VAL  42          3HG2      VAL  42   8.084  -0.186  -1.131
  313   3HG2  VAL  42          2HG2      VAL  42   8.562  -0.072  -2.825
  314    H    ASN  43           HN       ASN  43   8.910  -5.129  -1.481
  315    HA   ASN  43           HA       ASN  43   6.263  -6.181  -1.861
  316   1HB   ASN  43          2HB       ASN  43   8.549  -7.194  -0.841
  317   2HB   ASN  43          1HB       ASN  43   7.738  -6.770   0.665
  318   1HD2  ASN  43          2HD2      ASN  43   4.890  -9.005  -0.278
  319   2HD2  ASN  43          1HD2      ASN  43   5.051  -7.359   0.086
  320    H    LEU  44           HN       LEU  44   4.368  -5.628  -0.807
  321    HA   LEU  44           HA       LEU  44   4.033  -3.252   0.632
  322   1HB   LEU  44          2HB       LEU  44   2.264  -4.855  -0.379
  323   2HB   LEU  44          1HB       LEU  44   2.335  -5.698   1.162
  324    HG   LEU  44           HG       LEU  44   0.483  -4.004   0.999
  325   1HD1  LEU  44          3HD1      LEU  44   2.035  -4.662   3.128
  326   2HD1  LEU  44          2HD1      LEU  44   2.207  -2.907   3.130
  327   3HD1  LEU  44          1HD1      LEU  44   0.605  -3.635   3.229
  328   1HD2  LEU  44          1HD2      LEU  44   1.889  -2.331  -0.318
  329   2HD2  LEU  44          3HD2      LEU  44   0.948  -1.651   1.013
  330   3HD2  LEU  44          2HD2      LEU  44   2.679  -1.927   1.207
  331    H    LYS  45           HN       LYS  45   5.094  -6.373   1.803
  332    HA   LYS  45           HA       LYS  45   4.907  -5.515   4.627
  333   1HB   LYS  45          2HB       LYS  45   5.993  -8.077   3.411
  334   2HB   LYS  45          1HB       LYS  45   5.734  -7.781   5.131
  335   1HG   LYS  45          2HG       LYS  45   3.447  -7.958   4.960
  336   2HG   LYS  45          1HG       LYS  45   3.416  -7.328   3.313
  337   1HD   LYS  45          2HD       LYS  45   4.609  -9.528   2.657
  338   2HD   LYS  45          1HD       LYS  45   4.092 -10.118   4.237
  339   1HE   LYS  45          2HE       LYS  45   1.753  -9.099   3.412
  340   2HE   LYS  45          1HE       LYS  45   2.457  -9.456   1.835
  341   1HZ   LYS  45          3HZ       LYS  45   2.871 -11.723   2.586
  342   2HZ   LYS  45          2HZ       LYS  45   2.150 -11.372   4.083
  343   3HZ   LYS  45          1HZ       LYS  45   1.219 -11.343   2.662
  344    H    SER  46           HN       SER  46   6.464  -3.707   3.651
  345    HA   SER  46           HA       SER  46   9.174  -4.401   4.586
  346   1HB   SER  46          2HB       SER  46   8.893  -4.707   1.974
  347   2HB   SER  46          1HB       SER  46   8.977  -2.948   1.957
  348    HG   SER  46           HG       SER  46  10.939  -3.202   3.220
  349    H    ILE  47           HN       ILE  47   8.572  -2.958   6.289
  350    HA   ILE  47           HA       ILE  47   7.583  -0.310   5.882
  351    HB   ILE  47           HB       ILE  47   9.267  -1.295   8.199
  352   1HG1  ILE  47          2HG1      ILE  47   6.280  -1.481   7.648
  353   2HG1  ILE  47          1HG1      ILE  47   7.399  -2.825   7.838
  354   1HG2  ILE  47          3HG2      ILE  47   8.494   1.252   7.666
  355   2HG2  ILE  47          2HG2      ILE  47   7.055   0.673   8.505
  356   3HG2  ILE  47          1HG2      ILE  47   8.625   0.614   9.305
  357   1HD1  ILE  47          1HD1      ILE  47   7.854  -1.570  10.178
  358   2HD1  ILE  47          3HD1      ILE  47   6.180  -1.083   9.914
  359   3HD1  ILE  47          2HD1      ILE  47   6.599  -2.795   9.985
  360    H    MET  48           HN       MET  48  10.909  -1.267   6.837
  361    HA   MET  48           HA       MET  48  12.036   1.308   6.289
  362   1HB   MET  48          2HB       MET  48  12.991  -0.746   7.625
  363   2HB   MET  48          1HB       MET  48  13.662  -1.205   6.060
  364   1HG   MET  48          2HG       MET  48  14.424   1.332   6.009
  365   2HG   MET  48          1HG       MET  48  14.280   1.182   7.760
  366   1HE   MET  48          3HE       MET  48  14.805  -1.186   8.719
  367   2HE   MET  48          2HE       MET  48  16.455  -1.800   8.642
  368   3HE   MET  48          1HE       MET  48  16.151  -0.189   9.287
  369    H    GLY  49           HN       GLY  49  11.194  -1.341   4.193
  370   1HA   GLY  49          2HA       GLY  49  12.997  -0.603   2.033
  371   2HA   GLY  49          1HA       GLY  49  11.652  -1.736   1.916
  372    H    VAL  50           HN       VAL  50   9.760   0.326   3.020
  373    HA   VAL  50           HA       VAL  50   9.127   1.581   0.446
  374    HB   VAL  50           HB       VAL  50   7.735   1.851   3.129
  375   1HG1  VAL  50          1HG1      VAL  50   6.878   2.490   0.289
  376   2HG1  VAL  50          3HG1      VAL  50   5.789   2.485   1.677
  377   3HG1  VAL  50          2HG1      VAL  50   7.117   3.642   1.603
  378   1HG2  VAL  50          3HG2      VAL  50   8.020  -0.459   1.666
  379   2HG2  VAL  50          2HG2      VAL  50   6.652  -0.112   2.721
  380   3HG2  VAL  50          1HG2      VAL  50   6.532   0.202   0.990
  381    H    VAL  51           HN       VAL  51  10.405   2.576   3.576
  382    HA   VAL  51           HA       VAL  51  10.111   5.404   3.231
  383    HB   VAL  51           HB       VAL  51  12.296   3.956   4.755
  384   1HG1  VAL  51          2HG1      VAL  51  11.237   6.757   4.662
  385   2HG1  VAL  51          1HG1      VAL  51  11.811   6.125   6.206
  386   3HG1  VAL  51          3HG1      VAL  51  12.901   6.194   4.821
  387   1HG2  VAL  51          1HG2      VAL  51   9.392   4.439   5.320
  388   2HG2  VAL  51          3HG2      VAL  51  10.392   3.044   5.725
  389   3HG2  VAL  51          2HG2      VAL  51  10.535   4.532   6.660
  390    H    SER  52           HN       SER  52  12.454   3.100   2.006
  391    HA   SER  52           HA       SER  52  14.474   5.019   1.258
  392   1HB   SER  52          2HB       SER  52  15.180   3.134  -0.333
  393   2HB   SER  52          1HB       SER  52  15.172   2.751   1.386
  394    HG   SER  52           HG       SER  52  13.672   1.335   1.011
  395    H    LEU  53           HN       LEU  53  11.475   3.983  -0.214
  396    HA   LEU  53           HA       LEU  53  12.032   4.784  -2.908
  397   1HB   LEU  53          2HB       LEU  53   9.487   4.466  -1.315
  398   2HB   LEU  53          1HB       LEU  53   9.450   5.073  -2.967
  399    HG   LEU  53           HG       LEU  53   9.095   2.637  -2.922
  400   1HD1  LEU  53          1HD1      LEU  53  10.774   3.997  -4.591
  401   2HD1  LEU  53          3HD1      LEU  53  11.843   2.723  -4.008
  402   3HD1  LEU  53          2HD1      LEU  53  10.327   2.305  -4.804
  403   1HD2  LEU  53          1HD2      LEU  53  10.492   2.343  -0.799
  404   2HD2  LEU  53          3HD2      LEU  53  10.710   1.114  -2.044
  405   3HD2  LEU  53          2HD2      LEU  53  11.911   2.389  -1.845
  406    H    GLY  54           HN       GLY  54  10.836   6.557  -0.083
  407   1HA   GLY  54          2HA       GLY  54  10.923   8.888   0.311
  408   2HA   GLY  54          1HA       GLY  54  11.669   9.090  -1.276
  409    H    ILE  55           HN       ILE  55   8.603   7.458  -0.590
  410    HA   ILE  55           HA       ILE  55   7.232   8.907  -2.681
  411    HB   ILE  55           HB       ILE  55   6.033   7.291  -0.408
  412   1HG1  ILE  55          2HG1      ILE  55   6.591   6.248  -3.178
  413   2HG1  ILE  55          1HG1      ILE  55   7.854   6.207  -1.949
  414   1HG2  ILE  55          2HG2      ILE  55   4.677   8.861  -2.099
  415   2HG2  ILE  55          1HG2      ILE  55   4.865   7.459  -3.150
  416   3HG2  ILE  55          3HG2      ILE  55   4.055   7.293  -1.594
  417   1HD1  ILE  55          2HD1      ILE  55   5.965   5.144  -0.457
  418   2HD1  ILE  55          1HD1      ILE  55   5.226   4.759  -2.010
  419   3HD1  ILE  55          3HD1      ILE  55   6.830   4.139  -1.619
  420    H    ALA  56           HN       ALA  56   5.757  10.600  -2.503
  421    HA   ALA  56           HA       ALA  56   5.489  11.859   0.192
  422   1HB   ALA  56          1HB       ALA  56   7.057  12.841  -1.882
  423   2HB   ALA  56          3HB       ALA  56   5.564  13.769  -2.026
  424   3HB   ALA  56          2HB       ALA  56   6.463  13.777  -0.509
  425    H    LYS  57           HN       LYS  57   3.880  13.996  -0.558
  426    HA   LYS  57           HA       LYS  57   1.315  12.700  -0.895
  427   1HB   LYS  57          2HB       LYS  57   0.429  15.037  -0.914
  428   2HB   LYS  57          1HB       LYS  57   1.491  14.721   0.457
  429   1HG   LYS  57          2HG       LYS  57   2.946  15.675  -1.910
  430   2HG   LYS  57          1HG       LYS  57   1.747  16.831  -1.333
  431   1HD   LYS  57          2HD       LYS  57   2.848  16.078   1.032
  432   2HD   LYS  57          1HD       LYS  57   4.241  15.888  -0.033
  433   1HE   LYS  57          2HE       LYS  57   4.467  18.128   0.494
  434   2HE   LYS  57          1HE       LYS  57   3.431  18.264  -0.927
  435   1HZ   LYS  57          2HZ       LYS  57   2.385  18.066   1.840
  436   2HZ   LYS  57          1HZ       LYS  57   2.677  19.546   1.059
  437   3HZ   LYS  57          3HZ       LYS  57   1.524  18.473   0.433
  438    H    GLY  58           HN       GLY  58  -0.168  13.009  -2.670
  439   1HA   GLY  58          2HA       GLY  58  -0.745  13.119  -4.940
  440   2HA   GLY  58          1HA       GLY  58   0.484  14.375  -5.094
  441    H    ALA  59           HN       ALA  59   0.160  10.826  -4.835
  442    HA   ALA  59           HA       ALA  59   2.270  10.560  -6.907
  443   1HB   ALA  59          2HB       ALA  59   3.020  10.320  -4.318
  444   2HB   ALA  59          1HB       ALA  59   2.488   8.667  -4.625
  445   3HB   ALA  59          3HB       ALA  59   3.757   9.385  -5.619
  446    H    GLU  60           HN       GLU  60   2.402   8.166  -7.598
  447    HA   GLU  60           HA       GLU  60  -0.324   6.939  -7.438
  448   1HB   GLU  60          2HB       GLU  60   1.536   7.365  -9.754
  449   2HB   GLU  60          1HB       GLU  60   0.476   5.954  -9.759
  450   1HG   GLU  60          2HG       GLU  60  -0.669   8.654  -9.110
  451   2HG   GLU  60          1HG       GLU  60  -0.375   8.217 -10.794
  452    H    ILE  61           HN       ILE  61  -0.395   4.697  -7.120
  453    HA   ILE  61           HA       ILE  61   2.161   3.195  -7.060
  454    HB   ILE  61           HB       ILE  61   1.571   2.294  -4.778
  455   1HG1  ILE  61          2HG1      ILE  61  -0.407   4.605  -4.859
  456   2HG1  ILE  61          1HG1      ILE  61  -0.820   2.894  -4.793
  457   1HG2  ILE  61          1HG2      ILE  61   3.216   4.184  -5.261
  458   2HG2  ILE  61          3HG2      ILE  61   1.934   5.301  -4.794
  459   3HG2  ILE  61          2HG2      ILE  61   2.566   4.145  -3.622
  460   1HD1  ILE  61          3HD1      ILE  61   0.933   3.239  -2.646
  461   2HD1  ILE  61          2HD1      ILE  61  -0.066   4.692  -2.623
  462   3HD1  ILE  61          1HD1      ILE  61  -0.823   3.102  -2.545
  463    H    THR  62           HN       THR  62   1.829   1.238  -7.992
  464    HA   THR  62           HA       THR  62  -0.976   0.296  -8.310
  465    HB   THR  62           HB       THR  62   1.418  -0.881  -9.712
  466    HG1  THR  62           HG1      THR  62  -0.086   1.389 -10.504
  467   1HG2  THR  62          1HG2      THR  62  -1.121  -1.690  -9.708
  468   2HG2  THR  62          3HG2      THR  62  -1.271  -0.427 -10.930
  469   3HG2  THR  62          2HG2      THR  62  -0.139  -1.758 -11.171
  470    H    ILE  63           HN       ILE  63  -1.629  -1.247  -6.918
  471    HA   ILE  63           HA       ILE  63   0.417  -3.001  -5.644
  472    HB   ILE  63           HB       ILE  63  -2.472  -2.422  -4.897
  473   1HG1  ILE  63          2HG1      ILE  63   0.129  -1.666  -3.528
  474   2HG1  ILE  63          1HG1      ILE  63  -0.823  -0.572  -4.532
  475   1HG2  ILE  63          2HG2      ILE  63  -0.394  -4.280  -3.745
  476   2HG2  ILE  63          1HG2      ILE  63  -1.654  -3.592  -2.720
  477   3HG2  ILE  63          3HG2      ILE  63  -2.092  -4.604  -4.097
  478   1HD1  ILE  63          2HD1      ILE  63  -2.792  -1.132  -2.973
  479   2HD1  ILE  63          1HD1      ILE  63  -1.582  -1.814  -1.887
  480   3HD1  ILE  63          3HD1      ILE  63  -1.519  -0.104  -2.313
  481    H    SER  64           HN       SER  64   0.077  -5.303  -5.637
  482    HA   SER  64           HA       SER  64  -2.101  -6.384  -7.313
  483   1HB   SER  64          2HB       SER  64  -0.224  -7.776  -8.521
  484   2HB   SER  64          1HB       SER  64  -0.608  -6.152  -9.086
  485    HG   SER  64           HG       SER  64   1.699  -7.088  -8.148
  486    H    ALA  65           HN       ALA  65  -2.911  -7.859  -5.911
  487    HA   ALA  65           HA       ALA  65  -1.107  -9.388  -4.127
  488   1HB   ALA  65          3HB       ALA  65  -3.438  -8.382  -3.506
  489   2HB   ALA  65          2HB       ALA  65  -4.087  -9.788  -4.349
  490   3HB   ALA  65          1HB       ALA  65  -3.046 -10.007  -2.944
  491    H    SER  66           HN       SER  66  -0.575 -11.534  -4.511
  492    HA   SER  66           HA       SER  66  -2.109 -13.036  -6.563
  493   1HB   SER  66          2HB       SER  66   0.460 -11.860  -7.023
  494   2HB   SER  66          1HB       SER  66   0.652 -13.610  -7.009
  495    HG   SER  66           HG       SER  66  -1.032 -12.002  -8.615
  496    H    GLY  67           HN       GLY  67  -2.762 -14.740  -5.329
  497   1HA   GLY  67          2HA       GLY  67  -1.037 -16.810  -4.531
  498   2HA   GLY  67          1HA       GLY  67  -1.277 -15.802  -3.104
  499    H    ALA  68           HN       ALA  68  -2.794 -16.737  -1.828
  500    HA   ALA  68           HA       ALA  68  -4.989 -18.302  -3.041
  501   1HB   ALA  68          2HB       ALA  68  -3.962 -17.898  -0.237
  502   2HB   ALA  68          1HB       ALA  68  -5.555 -18.604  -0.513
  503   3HB   ALA  68          3HB       ALA  68  -4.116 -19.398  -1.151
  504    H    ASP  69           HN       ASP  69  -4.966 -15.939  -0.359
  505    HA   ASP  69           HA       ASP  69  -7.629 -14.990  -1.246
  506   1HB   ASP  69          2HB       ASP  69  -7.563 -13.705   0.922
  507   2HB   ASP  69          1HB       ASP  69  -7.435 -15.451   1.123
  508    H    GLU  70           HN       GLU  70  -5.750 -14.278  -3.077
  509    HA   GLU  70           HA       GLU  70  -4.421 -11.787  -2.613
  510   1HB   GLU  70          2HB       GLU  70  -4.288 -11.639  -5.081
  511   2HB   GLU  70          1HB       GLU  70  -3.841 -13.243  -4.506
  512   1HG   GLU  70          2HG       GLU  70  -6.384 -13.790  -4.875
  513   2HG   GLU  70          1HG       GLU  70  -6.344 -12.376  -5.927
  514    H    ASN  71           HN       ASN  71  -7.653 -12.542  -3.897
  515    HA   ASN  71           HA       ASN  71  -8.339  -9.817  -4.533
  516   1HB   ASN  71          2HB       ASN  71  -9.959 -12.319  -4.050
  517   2HB   ASN  71          1HB       ASN  71 -10.734 -10.766  -4.370
  518   1HD2  ASN  71          2HD2      ASN  71 -10.469 -11.732  -7.788
  519   2HD2  ASN  71          1HD2      ASN  71 -11.527 -11.555  -6.473
  520    H    ASP  72           HN       ASP  72  -8.925 -11.856  -1.673
  521    HA   ASP  72           HA       ASP  72 -10.461  -9.903  -0.235
  522   1HB   ASP  72          2HB       ASP  72  -8.745 -12.113   0.917
  523   2HB   ASP  72          1HB       ASP  72 -10.105 -11.315   1.702
  524    H    ALA  73           HN       ALA  73  -7.027 -10.299  -0.735
  525    HA   ALA  73           HA       ALA  73  -6.250  -8.688   1.568
  526   1HB   ALA  73          2HB       ALA  73  -4.821 -10.481   0.503
  527   2HB   ALA  73          1HB       ALA  73  -4.566  -9.373  -0.847
  528   3HB   ALA  73          3HB       ALA  73  -4.007  -8.938   0.768
  529    H    LEU  74           HN       LEU  74  -6.348  -8.082  -1.979
  530    HA   LEU  74           HA       LEU  74  -5.314  -5.445  -1.839
  531   1HB   LEU  74          2HB       LEU  74  -6.236  -5.084  -4.053
  532   2HB   LEU  74          1HB       LEU  74  -5.595  -6.719  -3.956
  533    HG   LEU  74           HG       LEU  74  -8.078  -7.294  -3.245
  534   1HD1  LEU  74          2HD1      LEU  74  -8.326  -4.557  -3.770
  535   2HD1  LEU  74          1HD1      LEU  74  -8.971  -5.332  -5.217
  536   3HD1  LEU  74          3HD1      LEU  74  -9.649  -5.714  -3.636
  537   1HD2  LEU  74          2HD2      LEU  74  -7.088  -6.748  -6.052
  538   2HD2  LEU  74          1HD2      LEU  74  -7.019  -8.275  -5.173
  539   3HD2  LEU  74          3HD2      LEU  74  -8.573  -7.633  -5.704
  540    H    ASN  75           HN       ASN  75  -8.698  -6.557  -1.556
  541    HA   ASN  75           HA       ASN  75  -9.702  -3.838  -1.317
  542   1HB   ASN  75          2HB       ASN  75 -11.833  -4.869  -0.666
  543   2HB   ASN  75          1HB       ASN  75 -11.172  -5.670  -2.088
  544   1HD2  ASN  75          2HD2      ASN  75 -11.225  -7.712   1.483
  545   2HD2  ASN  75          1HD2      ASN  75 -11.282  -6.016   1.503
  546    H    ALA  76           HN       ALA  76  -8.381  -6.208   0.893
  547    HA   ALA  76           HA       ALA  76  -9.419  -5.193   3.344
  548   1HB   ALA  76          3HB       ALA  76  -7.878  -7.289   2.792
  549   2HB   ALA  76          2HB       ALA  76  -6.589  -6.160   3.209
  550   3HB   ALA  76          1HB       ALA  76  -7.846  -6.539   4.387
  551    H    LEU  77           HN       LEU  77  -6.180  -4.542   1.927
  552    HA   LEU  77           HA       LEU  77  -5.573  -2.359   3.656
  553   1HB   LEU  77          2HB       LEU  77  -4.610  -2.751   0.809
  554   2HB   LEU  77          1HB       LEU  77  -3.814  -1.813   2.073
  555    HG   LEU  77           HG       LEU  77  -4.310  -4.464   3.086
  556   1HD1  LEU  77          3HD1      LEU  77  -4.259  -4.817   0.481
  557   2HD1  LEU  77          2HD1      LEU  77  -2.522  -4.582   0.679
  558   3HD1  LEU  77          1HD1      LEU  77  -3.337  -5.895   1.529
  559   1HD2  LEU  77          3HD2      LEU  77  -1.750  -3.042   2.282
  560   2HD2  LEU  77          2HD2      LEU  77  -2.546  -2.915   3.851
  561   3HD2  LEU  77          1HD2      LEU  77  -1.851  -4.452   3.335
  562    H    GLU  78           HN       GLU  78  -7.456  -2.533   0.690
  563    HA   GLU  78           HA       GLU  78  -7.478   0.249   0.044
  564   1HB   GLU  78          2HB       GLU  78  -8.287  -1.478  -1.511
  565   2HB   GLU  78          1HB       GLU  78  -9.618  -1.852  -0.422
  566   1HG   GLU  78          2HG       GLU  78 -10.438   0.492  -0.670
  567   2HG   GLU  78          1HG       GLU  78  -9.155   0.789  -1.840
  568    H    GLU  79           HN       GLU  79  -9.497  -1.647   2.299
  569    HA   GLU  79           HA       GLU  79 -11.266   0.582   2.858
  570   1HB   GLU  79          2HB       GLU  79 -12.296  -0.803   4.485
  571   2HB   GLU  79          1HB       GLU  79 -11.786  -1.909   3.216
  572   1HG   GLU  79          2HG       GLU  79  -9.578  -1.812   4.910
  573   2HG   GLU  79          1HG       GLU  79 -10.942  -1.768   6.019
  574    H    THR  80           HN       THR  80  -8.190  -0.506   4.117
  575    HA   THR  80           HA       THR  80  -8.229   1.033   6.559
  576    HB   THR  80           HB       THR  80  -5.833   0.183   4.899
  577    HG1  THR  80           HG1      THR  80  -6.583  -1.712   5.409
  578   1HG2  THR  80          2HG2      THR  80  -5.593   1.908   6.804
  579   2HG2  THR  80          1HG2      THR  80  -5.974   0.569   7.886
  580   3HG2  THR  80          3HG2      THR  80  -4.544   0.491   6.855
  581    H    MET  81           HN       MET  81  -7.219   1.694   3.239
  582    HA   MET  81           HA       MET  81  -6.079   4.294   3.787
  583   1HB   MET  81          2HB       MET  81  -6.950   2.807   1.324
  584   2HB   MET  81          1HB       MET  81  -6.560   4.520   1.211
  585   1HG   MET  81          2HG       MET  81  -4.555   3.054   2.757
  586   2HG   MET  81          1HG       MET  81  -4.738   2.391   1.136
  587   1HE   MET  81          1HE       MET  81  -2.560   2.693   0.899
  588   2HE   MET  81          3HE       MET  81  -1.955   4.009  -0.115
  589   3HE   MET  81          2HE       MET  81  -1.680   4.037   1.624
  590    H    LYS  82           HN       LYS  82  -9.313   3.104   3.144
  591    HA   LYS  82           HA       LYS  82 -10.390   5.800   2.660
  592   1HB   LYS  82          2HB       LYS  82 -11.746   3.103   2.958
  593   2HB   LYS  82          1HB       LYS  82 -12.573   4.602   2.530
  594   1HG   LYS  82          2HG       LYS  82 -10.200   3.620   0.946
  595   2HG   LYS  82          1HG       LYS  82 -11.833   3.053   0.593
  596   1HD   LYS  82          2HD       LYS  82 -12.574   5.404   0.320
  597   2HD   LYS  82          1HD       LYS  82 -10.924   5.947   0.619
  598   1HE   LYS  82          2HE       LYS  82 -10.969   5.877  -1.712
  599   2HE   LYS  82          1HE       LYS  82 -10.327   4.280  -1.327
  600   1HZ   LYS  82          1HZ       LYS  82 -12.640   3.443  -1.415
  601   2HZ   LYS  82          3HZ       LYS  82 -13.141   4.965  -1.970
  602   3HZ   LYS  82          2HZ       LYS  82 -12.075   4.030  -2.906
  603    H    SER  83           HN       SER  83  -9.822   3.746   5.390
  604    HA   SER  83           HA       SER  83 -11.947   4.800   7.065
  605   1HB   SER  83          2HB       SER  83 -10.729   3.681   8.898
  606   2HB   SER  83          1HB       SER  83 -10.915   2.606   7.514
  607    HG   SER  83           HG       SER  83  -8.695   3.257   8.702
  608    H    GLU  84           HN       GLU  84  -8.408   5.353   6.960
  609    HA   GLU  84           HA       GLU  84  -8.738   7.723   8.698
  610   1HB   GLU  84          2HB       GLU  84  -6.407   6.129   7.680
  611   2HB   GLU  84          1HB       GLU  84  -6.141   7.778   8.248
  612   1HG   GLU  84          2HG       GLU  84  -7.351   7.149  10.375
  613   2HG   GLU  84          1HG       GLU  84  -7.341   5.477   9.811
  614    H    GLY  85           HN       GLY  85  -7.907   6.900   5.363
  615   1HA   GLY  85          2HA       GLY  85  -8.482   8.449   3.554
  616   2HA   GLY  85          1HA       GLY  85  -8.207   9.787   4.670
  617    H    LEU  86           HN       LEU  86  -6.185   6.933   3.999
  618    HA   LEU  86           HA       LEU  86  -3.815   8.640   3.777
  619   1HB   LEU  86          2HB       LEU  86  -4.260   5.657   3.540
  620   2HB   LEU  86          1HB       LEU  86  -2.680   6.413   3.322
  621    HG   LEU  86           HG       LEU  86  -4.395   6.752   5.797
  622   1HD1  LEU  86          3HD1      LEU  86  -3.313   4.411   5.176
  623   2HD1  LEU  86          2HD1      LEU  86  -1.839   5.195   5.743
  624   3HD1  LEU  86          1HD1      LEU  86  -3.224   5.035   6.822
  625   1HD2  LEU  86          2HD2      LEU  86  -1.600   7.591   5.002
  626   2HD2  LEU  86          1HD2      LEU  86  -2.919   8.611   5.579
  627   3HD2  LEU  86          3HD2      LEU  86  -2.105   7.508   6.690
  628    H    GLY  87           HN       GLY  87  -6.004   6.947   1.620
  629   1HA   GLY  87          2HA       GLY  87  -5.158   8.449  -0.673
  630   2HA   GLY  87          1HA       GLY  87  -4.456   6.831  -0.736
  631    H    GLU  88           HN       GLU  88  -6.226   7.506  -2.713
  632    HA   GLU  88           HA       GLU  88  -8.472   5.664  -2.145
  633   1HB   GLU  88          2HB       GLU  88 -10.086   7.283  -3.178
  634   2HB   GLU  88          1HB       GLU  88  -9.443   7.833  -1.632
  635   1HG   GLU  88          2HG       GLU  88  -7.766   9.206  -2.826
  636   2HG   GLU  88          1HG       GLU  88  -8.438   8.673  -4.368
   
  No H/Q in entry =         636
  Start of MODEL   17
    1   1H    ALA   2          3HT       ALA   2  -5.147  -9.883  -9.745
    2   2H    ALA   2          2HT       ALA   2  -6.628 -10.695  -9.932
    3   3H    ALA   2          1HT       ALA   2  -6.476  -9.075 -10.421
    4    HA   ALA   2           HA       ALA   2  -7.634  -9.023  -8.385
    5   1HB   ALA   2          2HB       ALA   2  -5.414 -10.834  -7.385
    6   2HB   ALA   2          1HB       ALA   2  -6.690 -10.151  -6.376
    7   3HB   ALA   2          3HB       ALA   2  -7.094 -11.297  -7.653
    8    H    GLN   3           HN       GLN   3  -5.926  -7.262  -9.687
    9    HA   GLN   3           HA       GLN   3  -4.345  -6.109  -7.421
   10   1HB   GLN   3          2HB       GLN   3  -2.951  -5.011  -9.209
   11   2HB   GLN   3          1HB       GLN   3  -2.817  -6.767  -9.176
   12   1HG   GLN   3          2HG       GLN   3  -4.464  -6.936 -11.003
   13   2HG   GLN   3          1HG       GLN   3  -4.612  -5.178 -11.033
   14   1HE2  GLN   3          2HE2      GLN   3  -1.372  -6.968 -12.752
   15   2HE2  GLN   3          1HE2      GLN   3  -2.485  -7.883 -11.855
   16    H    LYS   4           HN       LYS   4  -4.394  -3.784  -7.249
   17    HA   LYS   4           HA       LYS   4  -6.435  -2.383  -8.895
   18   1HB   LYS   4          2HB       LYS   4  -7.519  -3.281  -6.786
   19   2HB   LYS   4          1HB       LYS   4  -6.440  -2.228  -5.871
   20   1HG   LYS   4          2HG       LYS   4  -7.335  -0.260  -7.007
   21   2HG   LYS   4          1HG       LYS   4  -8.354  -1.280  -8.023
   22   1HD   LYS   4          2HD       LYS   4  -8.620  -1.676  -5.089
   23   2HD   LYS   4          1HD       LYS   4  -9.236  -0.151  -5.728
   24   1HE   LYS   4          2HE       LYS   4 -10.583  -1.396  -7.388
   25   2HE   LYS   4          1HE       LYS   4  -9.984  -2.917  -6.726
   26   1HZ   LYS   4          3HZ       LYS   4 -11.345  -0.905  -5.040
   27   2HZ   LYS   4          2HZ       LYS   4 -12.211  -2.095  -5.887
   28   3HZ   LYS   4          1HZ       LYS   4 -11.074  -2.545  -4.708
   29    H    THR   5           HN       THR   5  -6.020  -0.168  -9.109
   30    HA   THR   5           HA       THR   5  -3.320   0.688  -8.268
   31    HB   THR   5           HB       THR   5  -5.328   2.226  -9.934
   32    HG1  THR   5           HG1      THR   5  -3.268   0.491 -10.811
   33   1HG2  THR   5          1HG2      THR   5  -3.295   3.382  -8.936
   34   2HG2  THR   5          3HG2      THR   5  -2.305   2.320  -9.938
   35   3HG2  THR   5          2HG2      THR   5  -3.421   3.458 -10.694
   36    H    PHE   6           HN       PHE   6  -2.948   2.505  -6.943
   37    HA   PHE   6           HA       PHE   6  -5.358   3.632  -5.575
   38   1HB   PHE   6          2HB       PHE   6  -2.724   2.735  -4.378
   39   2HB   PHE   6          1HB       PHE   6  -3.864   3.771  -3.518
   40    HD1  PHE   6          1HD       PHE   6  -3.684   0.521  -5.370
   41    HD2  PHE   6          2HD       PHE   6  -5.620   2.815  -2.298
   42    HE1  PHE   6          1HE       PHE   6  -5.001  -1.475  -4.710
   43    HE2  PHE   6          2HE       PHE   6  -6.936   0.820  -1.639
   44    HZ   PHE   6           HZ       PHE   6  -6.628  -1.325  -2.843
   45    H    LYS   7           HN       LYS   7  -4.952   5.798  -4.630
   46    HA   LYS   7           HA       LYS   7  -2.876   7.296  -6.181
   47   1HB   LYS   7          2HB       LYS   7  -5.537   7.675  -6.403
   48   2HB   LYS   7          1HB       LYS   7  -5.215   8.737  -5.032
   49   1HG   LYS   7          2HG       LYS   7  -4.936  10.098  -6.973
   50   2HG   LYS   7          1HG       LYS   7  -3.304   9.716  -6.422
   51   1HD   LYS   7          2HD       LYS   7  -2.862   8.368  -8.220
   52   2HD   LYS   7          1HD       LYS   7  -4.526   7.796  -8.333
   53   1HE   LYS   7          2HE       LYS   7  -4.082  10.675  -8.925
   54   2HE   LYS   7          1HE       LYS   7  -3.460   9.526 -10.110
   55   1HZ   LYS   7          1HZ       LYS   7  -5.647   8.497 -10.202
   56   2HZ   LYS   7          3HZ       LYS   7  -6.242   9.615  -9.073
   57   3HZ   LYS   7          2HZ       LYS   7  -5.736  10.145 -10.606
   58    H    VAL   8           HN       VAL   8  -1.425   8.478  -4.995
   59    HA   VAL   8           HA       VAL   8  -1.575   8.282  -2.058
   60    HB   VAL   8           HB       VAL   8   0.552   9.626  -3.747
   61   1HG1  VAL   8          1HG1      VAL   8   0.352  10.033  -1.211
   62   2HG1  VAL   8          3HG1      VAL   8   0.817   8.341  -1.026
   63   3HG1  VAL   8          2HG1      VAL   8   1.915   9.478  -1.810
   64   1HG2  VAL   8          2HG2      VAL   8   0.271   6.747  -2.833
   65   2HG2  VAL   8          1HG2      VAL   8   0.386   7.328  -4.495
   66   3HG2  VAL   8          3HG2      VAL   8   1.782   7.438  -3.423
   67    H    THR   9           HN       THR   9  -2.938   9.769  -1.154
   68    HA   THR   9           HA       THR   9  -2.593  12.619  -1.999
   69    HB   THR   9           HB       THR   9  -5.156  11.459  -0.896
   70    HG1  THR   9           HG1      THR   9  -5.676  10.847  -2.839
   71   1HG2  THR   9          2HG2      THR   9  -4.288  14.042  -2.165
   72   2HG2  THR   9          1HG2      THR   9  -5.972  13.529  -2.267
   73   3HG2  THR   9          3HG2      THR   9  -5.223  13.790  -0.691
   74    H    ALA  10           HN       ALA  10  -1.602  10.729   0.351
   75    HA   ALA  10           HA       ALA  10  -2.693  12.025   2.713
   76   1HB   ALA  10          3HB       ALA  10  -1.660   9.651   2.520
   77   2HB   ALA  10          2HB       ALA  10  -0.108  10.480   2.634
   78   3HB   ALA  10          1HB       ALA  10  -1.274  10.607   3.950
   79    H    ASP  11           HN       ASP  11  -1.592  13.544   4.044
   80    HA   ASP  11           HA       ASP  11   0.018  15.482   2.644
   81   1HB   ASP  11          2HB       ASP  11  -0.934  15.106   5.456
   82   2HB   ASP  11          1HB       ASP  11   0.390  16.236   5.172
   83    H    SER  12           HN       SER  12   0.810  13.271   5.350
   84    HA   SER  12           HA       SER  12   3.630  13.814   5.280
   85   1HB   SER  12          2HB       SER  12   3.660  11.456   6.450
   86   2HB   SER  12          1HB       SER  12   2.949  12.834   7.283
   87    HG   SER  12           HG       SER  12   1.796  10.547   6.505
   88    H    GLY  13           HN       GLY  13   1.560  11.601   3.508
   89   1HA   GLY  13          2HA       GLY  13   2.212  10.717   1.344
   90   2HA   GLY  13          1HA       GLY  13   3.903  10.850   1.833
   91    H    ILE  14           HN       ILE  14   4.096   8.570   1.157
   92    HA   ILE  14           HA       ILE  14   2.845   6.652   3.071
   93    HB   ILE  14           HB       ILE  14   4.200   6.084   0.416
   94   1HG1  ILE  14          2HG1      ILE  14   1.240   6.013   1.053
   95   2HG1  ILE  14          1HG1      ILE  14   2.025   7.429   0.352
   96   1HG2  ILE  14          3HG2      ILE  14   4.063   4.288   2.289
   97   2HG2  ILE  14          2HG2      ILE  14   2.333   4.277   1.951
   98   3HG2  ILE  14          1HG2      ILE  14   3.483   3.851   0.683
   99   1HD1  ILE  14          1HD1      ILE  14   2.546   4.799  -0.952
  100   2HD1  ILE  14          3HD1      ILE  14   0.948   5.509  -1.177
  101   3HD1  ILE  14          2HD1      ILE  14   2.387   6.399  -1.675
  102   1HN   HIP  15           HN       HIP  15   4.486   7.353   4.683
  103    HA   HIP  15           HA       HIP  15   7.195   6.281   4.114
  104   1HB   HIP  15          1HB       HIP  15   7.061   8.675   4.783
  105   2HB   HIP  15          2HB       HIP  15   8.027   7.710   5.879
  106    HD2  HIP  15          2HD       HIP  15   4.172   8.712   5.932
  107    HE2  HIP  15          2HE       HIP  15   3.678   9.381   8.392
  108    HE1  HIP  15          1HE       HIP  15   5.772   9.178   9.796
  109    H    ALA  16           HN       ALA  16   7.896   6.052   6.937
  110    HA   ALA  16           HA       ALA  16   7.327   3.353   7.387
  111   1HB   ALA  16          3HB       ALA  16   8.972   5.116   8.548
  112   2HB   ALA  16          2HB       ALA  16   7.722   5.052   9.790
  113   3HB   ALA  16          1HB       ALA  16   8.554   3.577   9.300
  114    H    ARG  17           HN       ARG  17   5.507   6.154   8.709
  115    HA   ARG  17           HA       ARG  17   3.895   4.688  10.519
  116   1HB   ARG  17          2HB       ARG  17   3.930   7.342   9.460
  117   2HB   ARG  17          1HB       ARG  17   2.275   6.750   9.374
  118   1HG   ARG  17          2HG       ARG  17   2.399   6.099  11.763
  119   2HG   ARG  17          1HG       ARG  17   4.041   6.738  11.840
  120   1HD   ARG  17          2HD       ARG  17   2.047   8.618  10.736
  121   2HD   ARG  17          1HD       ARG  17   1.799   8.193  12.429
  122    HE   ARG  17           HE       ARG  17   4.469   9.157  11.503
  123   1HH1  ARG  17          HH21      ARG  17   3.818   8.482  14.395
  124   2HH1  ARG  17          HH22      ARG  17   3.523  10.056  15.053
  125   1HH2  ARG  17          HH11      ARG  17   3.158  11.573  11.956
  126   2HH2  ARG  17          HH12      ARG  17   3.148  11.806  13.672
  127    HA   PRO  18           HA       PRO  18   0.568   4.012   7.160
  128   1HB   PRO  18          2HB       PRO  18   1.190   4.646   4.554
  129   2HB   PRO  18          1HB       PRO  18   0.367   5.749   5.673
  130   1HG   PRO  18          2HG       PRO  18   3.228   5.748   4.788
  131   2HG   PRO  18          1HG       PRO  18   2.189   7.118   5.221
  132   1HD   PRO  18          2HD       PRO  18   4.128   6.034   6.897
  133   2HD   PRO  18          1HD       PRO  18   2.732   6.975   7.454
  134    H    ALA  19           HN       ALA  19   3.920   3.331   6.709
  135    HA   ALA  19           HA       ALA  19   3.539   1.086   4.873
  136   1HB   ALA  19          3HB       ALA  19   5.671   2.484   5.095
  137   2HB   ALA  19          2HB       ALA  19   5.955   1.633   6.613
  138   3HB   ALA  19          1HB       ALA  19   5.896   0.735   5.098
  139    H    THR  20           HN       THR  20   3.648   1.629   8.333
  140    HA   THR  20           HA       THR  20   3.884  -1.208   9.005
  141    HB   THR  20           HB       THR  20   2.864   0.825  10.953
  142    HG1  THR  20           HG1      THR  20   5.507   0.680   9.936
  143   1HG2  THR  20          2HG2      THR  20   4.420  -1.703  10.937
  144   2HG2  THR  20          1HG2      THR  20   4.895  -0.507  12.142
  145   3HG2  THR  20          3HG2      THR  20   3.240  -1.112  12.107
  146    H    VAL  21           HN       VAL  21   1.334   1.118   8.423
  147    HA   VAL  21           HA       VAL  21  -0.807  -0.391   9.659
  148    HB   VAL  21           HB       VAL  21  -0.978   1.601   7.400
  149   1HG1  VAL  21          1HG1      VAL  21  -2.963   0.052   8.171
  150   2HG1  VAL  21          3HG1      VAL  21  -3.049   1.175   9.529
  151   3HG1  VAL  21          2HG1      VAL  21  -3.253   1.767   7.880
  152   1HG2  VAL  21          3HG2      VAL  21   0.187   2.194   9.750
  153   2HG2  VAL  21          2HG2      VAL  21  -0.848   3.345   8.908
  154   3HG2  VAL  21          1HG2      VAL  21  -1.498   2.380  10.233
  155    H    LEU  22           HN       LEU  22   0.534  -0.117   6.420
  156    HA   LEU  22           HA       LEU  22  -1.358  -1.847   5.125
  157   1HB   LEU  22          2HB       LEU  22   1.482  -1.095   4.394
  158   2HB   LEU  22          1HB       LEU  22   0.329  -1.874   3.306
  159    HG   LEU  22           HG       LEU  22  -0.256   0.758   4.684
  160   1HD1  LEU  22          1HD1      LEU  22   1.345   0.127   2.238
  161   2HD1  LEU  22          3HD1      LEU  22   0.244   1.504   2.153
  162   3HD1  LEU  22          2HD1      LEU  22   1.514   1.465   3.377
  163   1HD2  LEU  22          3HD2      LEU  22  -1.975  -0.916   3.482
  164   2HD2  LEU  22          2HD2      LEU  22  -2.131   0.834   3.328
  165   3HD2  LEU  22          1HD2      LEU  22  -1.368  -0.101   2.041
  166    H    VAL  23           HN       VAL  23   2.034  -2.418   6.154
  167    HA   VAL  23           HA       VAL  23   2.189  -5.144   5.491
  168    HB   VAL  23           HB       VAL  23   4.117  -3.785   6.250
  169   1HG1  VAL  23          1HG1      VAL  23   2.834  -2.660   8.115
  170   2HG1  VAL  23          3HG1      VAL  23   2.999  -4.151   9.042
  171   3HG1  VAL  23          2HG1      VAL  23   4.435  -3.241   8.573
  172   1HG2  VAL  23          2HG2      VAL  23   3.899  -6.397   6.479
  173   2HG2  VAL  23          1HG2      VAL  23   5.266  -5.571   7.230
  174   3HG2  VAL  23          3HG2      VAL  23   3.881  -6.055   8.209
  175    H    GLN  24           HN       GLN  24   0.548  -3.641   8.199
  176    HA   GLN  24           HA       GLN  24   0.238  -6.047   9.774
  177   1HB   GLN  24          2HB       GLN  24  -1.106  -3.352   9.746
  178   2HB   GLN  24          1HB       GLN  24  -1.719  -4.648  10.768
  179   1HG   GLN  24          2HG       GLN  24   1.132  -4.543  11.076
  180   2HG   GLN  24          1HG       GLN  24   0.496  -2.910  11.265
  181   1HE2  GLN  24          2HE2      GLN  24  -0.063  -5.592  14.216
  182   2HE2  GLN  24          1HE2      GLN  24   0.929  -5.905  12.875
  183    H    THR  25           HN       THR  25  -1.842  -4.389   7.392
  184    HA   THR  25           HA       THR  25  -4.040  -6.241   7.654
  185    HB   THR  25           HB       THR  25  -3.408  -4.648   5.167
  186    HG1  THR  25           HG1      THR  25  -4.573  -3.774   7.600
  187   1HG2  THR  25          3HG2      THR  25  -5.951  -5.552   6.542
  188   2HG2  THR  25          2HG2      THR  25  -5.913  -4.466   5.152
  189   3HG2  THR  25          1HG2      THR  25  -5.322  -6.120   4.996
  190    H    ALA  26           HN       ALA  26  -1.676  -5.871   4.983
  191    HA   ALA  26           HA       ALA  26  -2.351  -8.243   3.607
  192   1HB   ALA  26          2HB       ALA  26   0.172  -6.608   3.773
  193   2HB   ALA  26          1HB       ALA  26   0.127  -8.095   2.827
  194   3HB   ALA  26          3HB       ALA  26  -0.957  -6.763   2.428
  195    H    SER  27           HN       SER  27  -0.572  -7.844   6.576
  196    HA   SER  27           HA       SER  27   1.016 -10.202   6.561
  197   1HB   SER  27          2HB       SER  27   1.371  -8.641   8.332
  198   2HB   SER  27          1HB       SER  27  -0.327  -8.674   8.800
  199    HG   SER  27           HG       SER  27   1.731 -10.436   9.367
  200    H    LYS  28           HN       LYS  28  -2.372  -9.699   7.508
  201    HA   LYS  28           HA       LYS  28  -2.857 -12.386   8.398
  202   1HB   LYS  28          2HB       LYS  28  -4.741 -10.276   7.300
  203   2HB   LYS  28          1HB       LYS  28  -5.268 -11.786   8.044
  204   1HG   LYS  28          2HG       LYS  28  -4.730 -11.091  10.155
  205   2HG   LYS  28          1HG       LYS  28  -3.312 -10.199   9.610
  206   1HD   LYS  28          2HD       LYS  28  -4.474  -8.274   9.676
  207   2HD   LYS  28          1HD       LYS  28  -5.630  -8.917   8.511
  208   1HE   LYS  28          2HE       LYS  28  -5.916  -9.896  11.300
  209   2HE   LYS  28          1HE       LYS  28  -6.318  -8.201  11.030
  210   1HZ   LYS  28          1HZ       LYS  28  -7.756  -8.927   9.182
  211   2HZ   LYS  28          3HZ       LYS  28  -7.443 -10.543   9.593
  212   3HZ   LYS  28          2HZ       LYS  28  -8.260  -9.532  10.688
  213    H    TYR  29           HN       TYR  29  -2.837 -10.860   5.233
  214    HA   TYR  29           HA       TYR  29  -3.989 -13.280   3.967
  215   1HB   TYR  29          2HB       TYR  29  -3.037 -10.699   2.677
  216   2HB   TYR  29          1HB       TYR  29  -3.995 -11.968   1.913
  217    HD1  TYR  29          2HD       TYR  29  -6.335 -12.379   2.611
  218    HD2  TYR  29          1HD       TYR  29  -4.041  -9.128   4.223
  219    HE1  TYR  29          2HE       TYR  29  -8.416 -11.341   3.471
  220    HE2  TYR  29          1HE       TYR  29  -6.121  -8.088   5.086
  221    HH   TYR  29           HH       TYR  29  -8.589  -9.212   5.765
  222    H    ASP  30           HN       ASP  30  -2.713 -14.832   3.088
  223    HA   ASP  30           HA       ASP  30   0.209 -14.471   3.152
  224   1HB   ASP  30          2HB       ASP  30  -1.542 -16.847   2.472
  225   2HB   ASP  30          1HB       ASP  30   0.221 -16.891   2.478
  226    H    ALA  31           HN       ALA  31  -1.945 -13.442   0.959
  227    HA   ALA  31           HA       ALA  31  -1.003 -14.600  -1.505
  228   1HB   ALA  31          2HB       ALA  31  -2.435 -12.007  -0.877
  229   2HB   ALA  31          1HB       ALA  31  -2.059 -12.525  -2.520
  230   3HB   ALA  31          3HB       ALA  31  -3.137 -13.493  -1.515
  231    H    ASP  32           HN       ASP  32  -0.108 -12.804  -3.195
  232    HA   ASP  32           HA       ASP  32   2.380 -11.739  -1.934
  233   1HB   ASP  32          2HB       ASP  32   1.796 -12.458  -4.825
  234   2HB   ASP  32          1HB       ASP  32   3.329 -11.823  -4.227
  235    H    VAL  33           HN       VAL  33   1.005  -9.862  -1.261
  236    HA   VAL  33           HA       VAL  33   0.135  -8.056  -3.429
  237    HB   VAL  33           HB       VAL  33  -0.664  -6.625  -1.560
  238   1HG1  VAL  33          1HG1      VAL  33  -1.518  -9.350  -2.144
  239   2HG1  VAL  33          3HG1      VAL  33  -1.945  -8.888  -0.496
  240   3HG1  VAL  33          2HG1      VAL  33  -2.495  -7.911  -1.858
  241   1HG2  VAL  33          3HG2      VAL  33   1.182  -8.285  -0.070
  242   2HG2  VAL  33          2HG2      VAL  33   0.337  -6.830   0.452
  243   3HG2  VAL  33          1HG2      VAL  33  -0.429  -8.406   0.638
  244    H    ASN  34           HN       ASN  34   1.475  -6.543  -4.258
  245    HA   ASN  34           HA       ASN  34   3.664  -5.471  -2.537
  246   1HB   ASN  34          2HB       ASN  34   3.974  -6.262  -5.448
  247   2HB   ASN  34          1HB       ASN  34   5.234  -5.627  -4.391
  248   1HD2  ASN  34          2HD2      ASN  34   3.988  -9.513  -3.885
  249   2HD2  ASN  34          1HD2      ASN  34   2.973  -8.413  -4.685
  250    H    LEU  35           HN       LEU  35   4.090  -3.285  -2.857
  251    HA   LEU  35           HA       LEU  35   2.081  -1.800  -4.437
  252   1HB   LEU  35          2HB       LEU  35   2.758  -1.167  -2.065
  253   2HB   LEU  35          1HB       LEU  35   4.310  -0.661  -2.731
  254    HG   LEU  35           HG       LEU  35   1.884   0.366  -4.113
  255   1HD1  LEU  35          3HD1      LEU  35   2.526   0.884  -1.252
  256   2HD1  LEU  35          2HD1      LEU  35   2.123   2.289  -2.240
  257   3HD1  LEU  35          1HD1      LEU  35   0.976   0.959  -2.087
  258   1HD2  LEU  35          2HD2      LEU  35   4.542   0.833  -4.336
  259   2HD2  LEU  35          1HD2      LEU  35   3.324   2.039  -4.748
  260   3HD2  LEU  35          3HD2      LEU  35   4.121   2.090  -3.175
  261    H    GLU  36           HN       GLU  36   2.794  -0.065  -5.921
  262    HA   GLU  36           HA       GLU  36   5.485  -0.596  -7.124
  263   1HB   GLU  36          2HB       GLU  36   3.615  -1.547  -8.495
  264   2HB   GLU  36          1HB       GLU  36   2.945   0.077  -8.640
  265   1HG   GLU  36          2HG       GLU  36   4.624   0.797 -10.050
  266   2HG   GLU  36          1HG       GLU  36   5.818  -0.302  -9.359
  267    H    TYR  37           HN       TYR  37   6.721   1.221  -7.200
  268    HA   TYR  37           HA       TYR  37   5.551   3.834  -7.798
  269   1HB   TYR  37          2HB       TYR  37   5.123   3.585  -5.346
  270   2HB   TYR  37          1HB       TYR  37   6.858   3.400  -5.094
  271    HD1  TYR  37          1HD       TYR  37   4.232   5.732  -6.323
  272    HD2  TYR  37          2HD       TYR  37   8.321   5.287  -5.087
  273    HE1  TYR  37          1HE       TYR  37   4.495   8.198  -6.302
  274    HE2  TYR  37          2HE       TYR  37   8.583   7.753  -5.063
  275    HH   TYR  37           HH       TYR  37   6.928   9.789  -6.557
  276    H    ASN  38           HN       ASN  38   7.131   5.300  -8.503
  277    HA   ASN  38           HA       ASN  38   9.200   5.987  -9.357
  278   1HB   ASN  38          2HB       ASN  38   9.693   5.457  -6.784
  279   2HB   ASN  38          1HB       ASN  38  10.684   4.184  -7.496
  280   1HD2  ASN  38          2HD2      ASN  38  12.456   7.614  -7.264
  281   2HD2  ASN  38          1HD2      ASN  38  11.408   6.878  -6.151
  282    H    GLY  39           HN       GLY  39   7.891   3.654 -10.510
  283   1HA   GLY  39          2HA       GLY  39   8.362   1.993 -12.098
  284   2HA   GLY  39          1HA       GLY  39   9.953   2.739 -12.250
  285    H    LYS  40           HN       LYS  40   8.773   1.493  -9.193
  286    HA   LYS  40           HA       LYS  40  10.533  -0.897  -9.476
  287   1HB   LYS  40          2HB       LYS  40  10.489   1.001  -7.107
  288   2HB   LYS  40          1HB       LYS  40  11.398  -0.509  -7.189
  289   1HG   LYS  40          2HG       LYS  40  11.749   1.681  -9.240
  290   2HG   LYS  40          1HG       LYS  40  12.692   1.637  -7.751
  291   1HD   LYS  40          2HD       LYS  40  12.569  -0.912  -9.265
  292   2HD   LYS  40          1HD       LYS  40  13.459   0.395 -10.044
  293   1HE   LYS  40          2HE       LYS  40  14.398   0.603  -7.492
  294   2HE   LYS  40          1HE       LYS  40  14.112  -1.134  -7.595
  295   1HZ   LYS  40          1HZ       LYS  40  15.691   0.473  -9.530
  296   2HZ   LYS  40          3HZ       LYS  40  16.336  -0.549  -8.340
  297   3HZ   LYS  40          2HZ       LYS  40  15.424  -1.202  -9.616
  298    H    THR  41           HN       THR  41  10.119  -2.291  -7.312
  299    HA   THR  41           HA       THR  41   7.258  -2.128  -6.535
  300    HB   THR  41           HB       THR  41   8.466  -4.723  -7.508
  301    HG1  THR  41           HG1      THR  41   8.335  -3.706  -9.366
  302   1HG2  THR  41          3HG2      THR  41   5.771  -3.754  -6.624
  303   2HG2  THR  41          2HG2      THR  41   5.865  -5.054  -7.814
  304   3HG2  THR  41          1HG2      THR  41   6.604  -5.257  -6.224
  305    H    VAL  42           HN       VAL  42   7.346  -2.108  -4.357
  306    HA   VAL  42           HA       VAL  42   9.412  -3.784  -2.994
  307    HB   VAL  42           HB       VAL  42   8.579  -2.381  -0.932
  308   1HG1  VAL  42          3HG1      VAL  42  10.757  -2.254  -2.554
  309   2HG1  VAL  42          2HG1      VAL  42  10.119  -0.620  -2.736
  310   3HG1  VAL  42          1HG1      VAL  42  10.522  -1.237  -1.132
  311   1HG2  VAL  42          1HG2      VAL  42   6.775  -1.340  -2.585
  312   2HG2  VAL  42          3HG2      VAL  42   7.516  -0.358  -1.323
  313   3HG2  VAL  42          2HG2      VAL  42   8.101  -0.248  -2.982
  314    H    ASN  43           HN       ASN  43   8.753  -5.209  -1.339
  315    HA   ASN  43           HA       ASN  43   6.155  -6.407  -1.693
  316   1HB   ASN  43          2HB       ASN  43   8.289  -7.552  -0.856
  317   2HB   ASN  43          1HB       ASN  43   7.968  -6.786   0.700
  318   1HD2  ASN  43          2HD2      ASN  43   6.321 -10.182   0.594
  319   2HD2  ASN  43          1HD2      ASN  43   7.914  -9.655   0.338
  320    H    LEU  44           HN       LEU  44   4.268  -6.012  -0.592
  321    HA   LEU  44           HA       LEU  44   3.811  -3.615   0.816
  322   1HB   LEU  44          2HB       LEU  44   2.150  -5.354  -0.202
  323   2HB   LEU  44          1HB       LEU  44   2.230  -6.125   1.377
  324    HG   LEU  44           HG       LEU  44   0.308  -4.550   1.151
  325   1HD1  LEU  44          1HD1      LEU  44   1.917  -4.950   3.297
  326   2HD1  LEU  44          3HD1      LEU  44   2.002  -3.193   3.157
  327   3HD1  LEU  44          2HD1      LEU  44   0.439  -3.988   3.342
  328   1HD2  LEU  44          1HD2      LEU  44   2.200  -2.873  -0.064
  329   2HD2  LEU  44          3HD2      LEU  44   0.542  -2.452   0.357
  330   3HD2  LEU  44          2HD2      LEU  44   1.853  -2.098   1.483
  331    H    LYS  45           HN       LYS  45   5.070  -6.672   1.951
  332    HA   LYS  45           HA       LYS  45   4.845  -5.865   4.790
  333   1HB   LYS  45          2HB       LYS  45   6.009  -8.337   3.462
  334   2HB   LYS  45          1HB       LYS  45   5.941  -8.080   5.206
  335   1HG   LYS  45          2HG       LYS  45   3.982  -9.287   4.865
  336   2HG   LYS  45          1HG       LYS  45   3.383  -7.634   4.737
  337   1HD   LYS  45          2HD       LYS  45   2.846  -7.889   2.555
  338   2HD   LYS  45          1HD       LYS  45   4.396  -8.642   2.180
  339   1HE   LYS  45          2HE       LYS  45   2.423 -10.157   1.811
  340   2HE   LYS  45          1HE       LYS  45   3.602 -10.798   2.953
  341   1HZ   LYS  45          1HZ       LYS  45   1.365  -9.175   3.951
  342   2HZ   LYS  45          3HZ       LYS  45   1.090 -10.797   3.540
  343   3HZ   LYS  45          2HZ       LYS  45   2.237 -10.408   4.731
  344    H    SER  46           HN       SER  46   6.281  -3.963   3.680
  345    HA   SER  46           HA       SER  46   9.037  -4.460   4.634
  346   1HB   SER  46          2HB       SER  46   8.682  -4.720   1.993
  347   2HB   SER  46          1HB       SER  46   8.766  -2.960   2.051
  348    HG   SER  46           HG       SER  46  10.707  -4.880   2.556
  349    H    ILE  47           HN       ILE  47   8.417  -3.075   6.355
  350    HA   ILE  47           HA       ILE  47   7.230  -0.487   5.944
  351    HB   ILE  47           HB       ILE  47   8.879  -1.414   8.310
  352   1HG1  ILE  47          2HG1      ILE  47   5.921  -1.750   7.673
  353   2HG1  ILE  47          1HG1      ILE  47   7.108  -3.042   7.818
  354   1HG2  ILE  47          3HG2      ILE  47   8.287   1.054   8.047
  355   2HG2  ILE  47          2HG2      ILE  47   6.595   0.574   8.182
  356   3HG2  ILE  47          1HG2      ILE  47   7.701   0.290   9.525
  357   1HD1  ILE  47          2HD1      ILE  47   7.508  -2.299  10.200
  358   2HD1  ILE  47          1HD1      ILE  47   6.131  -1.213  10.023
  359   3HD1  ILE  47          3HD1      ILE  47   5.900  -2.956   9.899
  360    H    MET  48           HN       MET  48  10.589  -1.591   6.306
  361    HA   MET  48           HA       MET  48  11.634   1.146   6.174
  362   1HB   MET  48          2HB       MET  48  12.714  -0.825   7.420
  363   2HB   MET  48          1HB       MET  48  13.231  -1.396   5.832
  364   1HG   MET  48          2HG       MET  48  14.659   0.410   5.496
  365   2HG   MET  48          1HG       MET  48  13.758   1.458   6.593
  366   1HE   MET  48          2HE       MET  48  13.779   1.697   8.636
  367   2HE   MET  48          1HE       MET  48  14.619   0.852   9.935
  368   3HE   MET  48          3HE       MET  48  15.464   2.079   8.980
  369    H    GLY  49           HN       GLY  49  11.059  -1.524   3.969
  370   1HA   GLY  49          2HA       GLY  49  12.710  -0.618   1.806
  371   2HA   GLY  49          1HA       GLY  49  11.320  -1.693   1.643
  372    H    VAL  50           HN       VAL  50   9.294  -0.005   2.620
  373    HA   VAL  50           HA       VAL  50   8.743   1.598   0.292
  374    HB   VAL  50           HB       VAL  50   7.395   1.705   3.010
  375   1HG1  VAL  50          2HG1      VAL  50   6.523   2.521   0.223
  376   2HG1  VAL  50          1HG1      VAL  50   5.438   2.432   1.609
  377   3HG1  VAL  50          3HG1      VAL  50   6.772   3.585   1.607
  378   1HG2  VAL  50          2HG2      VAL  50   7.623  -0.560   1.610
  379   2HG2  VAL  50          1HG2      VAL  50   6.116  -0.132   2.417
  380   3HG2  VAL  50          3HG2      VAL  50   6.305   0.164   0.689
  381    H    VAL  51           HN       VAL  51  10.030   2.312   3.500
  382    HA   VAL  51           HA       VAL  51   9.835   5.175   3.325
  383    HB   VAL  51           HB       VAL  51  11.859   3.523   4.869
  384   1HG1  VAL  51          3HG1      VAL  51  10.887   6.380   5.044
  385   2HG1  VAL  51          2HG1      VAL  51  11.659   5.573   6.410
  386   3HG1  VAL  51          1HG1      VAL  51  12.547   5.800   4.902
  387   1HG2  VAL  51          3HG2      VAL  51   9.179   3.253   5.112
  388   2HG2  VAL  51          2HG2      VAL  51  10.275   3.139   6.489
  389   3HG2  VAL  51          1HG2      VAL  51   9.423   4.649   6.160
  390    H    SER  52           HN       SER  52  12.141   2.840   2.081
  391    HA   SER  52           HA       SER  52  14.326   4.604   1.571
  392   1HB   SER  52          2HB       SER  52  15.155   2.905   0.111
  393   2HB   SER  52          1HB       SER  52  14.299   2.055   1.394
  394    HG   SER  52           HG       SER  52  13.402   1.183  -0.343
  395    H    LEU  53           HN       LEU  53  11.359   3.941  -0.227
  396    HA   LEU  53           HA       LEU  53  12.148   5.359  -2.623
  397   1HB   LEU  53          2HB       LEU  53   9.461   4.538  -1.497
  398   2HB   LEU  53          1HB       LEU  53   9.629   5.388  -3.035
  399    HG   LEU  53           HG       LEU  53  11.456   3.444  -3.419
  400   1HD1  LEU  53          1HD1      LEU  53   9.611   2.514  -1.268
  401   2HD1  LEU  53          3HD1      LEU  53  10.008   1.362  -2.543
  402   3HD1  LEU  53          2HD1      LEU  53  11.293   2.079  -1.572
  403   1HD2  LEU  53          2HD2      LEU  53   8.462   3.398  -3.852
  404   2HD2  LEU  53          1HD2      LEU  53   9.723   3.822  -5.010
  405   3HD2  LEU  53          3HD2      LEU  53   9.518   2.145  -4.504
  406    H    GLY  54           HN       GLY  54  10.166   6.256   0.212
  407   1HA   GLY  54          2HA       GLY  54   9.789   8.380   1.152
  408   2HA   GLY  54          1HA       GLY  54  11.044   9.014   0.085
  409    H    ILE  55           HN       ILE  55   7.721   7.702  -0.165
  410    HA   ILE  55           HA       ILE  55   7.183   9.229  -2.590
  411    HB   ILE  55           HB       ILE  55   5.229   7.810  -0.750
  412   1HG1  ILE  55          2HG1      ILE  55   6.216   6.633  -3.317
  413   2HG1  ILE  55          1HG1      ILE  55   7.278   6.545  -1.913
  414   1HG2  ILE  55          3HG2      ILE  55   5.084   8.820  -3.601
  415   2HG2  ILE  55          2HG2      ILE  55   3.939   7.651  -2.942
  416   3HG2  ILE  55          1HG2      ILE  55   4.050   9.266  -2.243
  417   1HD1  ILE  55          2HD1      ILE  55   4.386   5.742  -1.684
  418   2HD1  ILE  55          1HD1      ILE  55   5.585   4.606  -2.303
  419   3HD1  ILE  55          3HD1      ILE  55   5.749   5.262  -0.675
  420    H    ALA  56           HN       ALA  56   5.385  10.833  -2.686
  421    HA   ALA  56           HA       ALA  56   5.027  12.336  -0.132
  422   1HB   ALA  56          1HB       ALA  56   6.761  13.167  -2.069
  423   2HB   ALA  56          3HB       ALA  56   5.277  13.968  -2.588
  424   3HB   ALA  56          2HB       ALA  56   5.918  14.260  -0.969
  425    H    LYS  57           HN       LYS  57   3.378  14.302  -0.852
  426    HA   LYS  57           HA       LYS  57   0.896  12.942  -1.463
  427   1HB   LYS  57          2HB       LYS  57  -0.071  15.256  -1.380
  428   2HB   LYS  57          1HB       LYS  57   0.883  14.849   0.047
  429   1HG   LYS  57          2HG       LYS  57   2.699  16.185  -0.633
  430   2HG   LYS  57          1HG       LYS  57   2.152  16.234  -2.310
  431   1HD   LYS  57          2HD       LYS  57   0.640  17.490  -0.002
  432   2HD   LYS  57          1HD       LYS  57   1.748  18.376  -1.048
  433   1HE   LYS  57          2HE       LYS  57   0.120  18.635  -2.578
  434   2HE   LYS  57          1HE       LYS  57  -0.063  16.887  -2.707
  435   1HZ   LYS  57          3HZ       LYS  57  -1.242  18.321  -0.424
  436   2HZ   LYS  57          2HZ       LYS  57  -2.043  18.318  -1.922
  437   3HZ   LYS  57          1HZ       LYS  57  -1.716  16.853  -1.128
  438    H    GLY  58           HN       GLY  58  -0.470  13.330  -3.311
  439   1HA   GLY  58          2HA       GLY  58  -0.923  13.712  -5.586
  440   2HA   GLY  58          1HA       GLY  58   0.396  14.885  -5.584
  441    H    ALA  59           HN       ALA  59   0.183  11.341  -5.101
  442    HA   ALA  59           HA       ALA  59   2.198  11.029  -7.284
  443   1HB   ALA  59          1HB       ALA  59   2.412  10.269  -4.443
  444   2HB   ALA  59          3HB       ALA  59   2.810   8.969  -5.567
  445   3HB   ALA  59          2HB       ALA  59   3.682  10.499  -5.644
  446    H    GLU  60           HN       GLU  60   2.348   8.467  -7.700
  447    HA   GLU  60           HA       GLU  60  -0.418   7.341  -7.644
  448   1HB   GLU  60          2HB       GLU  60   1.463   7.518 -10.013
  449   2HB   GLU  60          1HB       GLU  60   0.037   6.480  -9.980
  450   1HG   GLU  60          2HG       GLU  60  -1.408   8.422  -9.618
  451   2HG   GLU  60          1HG       GLU  60   0.001   9.483  -9.552
  452    H    ILE  61           HN       ILE  61  -0.491   5.125  -7.285
  453    HA   ILE  61           HA       ILE  61   2.082   3.624  -7.283
  454    HB   ILE  61           HB       ILE  61   1.417   2.603  -5.084
  455   1HG1  ILE  61          2HG1      ILE  61  -0.587   4.885  -5.044
  456   2HG1  ILE  61          1HG1      ILE  61  -1.009   3.189  -5.282
  457   1HG2  ILE  61          1HG2      ILE  61   1.769   5.617  -5.114
  458   2HG2  ILE  61          3HG2      ILE  61   2.089   4.566  -3.736
  459   3HG2  ILE  61          2HG2      ILE  61   3.069   4.429  -5.195
  460   1HD1  ILE  61          2HD1      ILE  61   0.371   2.858  -3.051
  461   2HD1  ILE  61          1HD1      ILE  61  -0.004   4.564  -2.814
  462   3HD1  ILE  61          3HD1      ILE  61  -1.309   3.389  -2.985
  463    H    THR  62           HN       THR  62   1.706   1.244  -7.244
  464    HA   THR  62           HA       THR  62  -1.028   0.471  -8.161
  465    HB   THR  62           HB       THR  62   1.335  -0.833  -9.443
  466    HG1  THR  62           HG1      THR  62   1.339   0.852 -10.998
  467   1HG2  THR  62          2HG2      THR  62  -1.547  -0.340  -9.970
  468   2HG2  THR  62          1HG2      THR  62  -0.487  -0.368 -11.379
  469   3HG2  THR  62          3HG2      THR  62  -0.568  -1.767 -10.309
  470    H    ILE  63           HN       ILE  63  -1.755  -1.148  -6.896
  471    HA   ILE  63           HA       ILE  63   0.230  -2.867  -5.481
  472    HB   ILE  63           HB       ILE  63  -2.703  -2.323  -4.907
  473   1HG1  ILE  63          2HG1      ILE  63  -0.197  -1.530  -3.389
  474   2HG1  ILE  63          1HG1      ILE  63  -1.109  -0.451  -4.445
  475   1HG2  ILE  63          1HG2      ILE  63  -0.672  -4.153  -3.631
  476   2HG2  ILE  63          3HG2      ILE  63  -2.004  -3.486  -2.685
  477   3HG2  ILE  63          2HG2      ILE  63  -2.340  -4.503  -4.088
  478   1HD1  ILE  63          1HD1      ILE  63  -3.132  -1.316  -2.904
  479   2HD1  ILE  63          3HD1      ILE  63  -1.813  -1.505  -1.749
  480   3HD1  ILE  63          2HD1      ILE  63  -2.143   0.075  -2.460
  481    H    SER  64           HN       SER  64  -0.041  -5.165  -5.547
  482    HA   SER  64           HA       SER  64  -2.136  -6.272  -7.309
  483   1HB   SER  64          2HB       SER  64  -0.235  -7.586  -8.515
  484   2HB   SER  64          1HB       SER  64  -0.559  -5.927  -9.011
  485    HG   SER  64           HG       SER  64   1.600  -7.014  -7.648
  486    H    ALA  65           HN       ALA  65  -2.946  -7.850  -6.031
  487    HA   ALA  65           HA       ALA  65  -1.158  -9.342  -4.192
  488   1HB   ALA  65          3HB       ALA  65  -3.465  -8.426  -3.524
  489   2HB   ALA  65          2HB       ALA  65  -4.143  -9.707  -4.530
  490   3HB   ALA  65          1HB       ALA  65  -3.150 -10.116  -3.132
  491    H    SER  66           HN       SER  66  -0.553 -11.455  -4.597
  492    HA   SER  66           HA       SER  66  -1.996 -12.989  -6.687
  493   1HB   SER  66          2HB       SER  66   0.521 -11.695  -7.121
  494   2HB   SER  66          1HB       SER  66   0.790 -13.436  -7.122
  495    HG   SER  66           HG       SER  66   0.176 -12.629  -9.184
  496    H    GLY  67           HN       GLY  67  -2.621 -14.648  -5.340
  497   1HA   GLY  67          2HA       GLY  67  -0.798 -16.684  -4.603
  498   2HA   GLY  67          1HA       GLY  67  -1.072 -15.690  -3.172
  499    H    ALA  68           HN       ALA  68  -2.576 -16.621  -1.890
  500    HA   ALA  68           HA       ALA  68  -4.645 -18.373  -3.045
  501   1HB   ALA  68          1HB       ALA  68  -3.692 -17.715  -0.274
  502   2HB   ALA  68          3HB       ALA  68  -5.282 -18.448  -0.489
  503   3HB   ALA  68          2HB       ALA  68  -3.840 -19.289  -1.056
  504    H    ASP  69           HN       ASP  69  -4.930 -15.871  -0.513
  505    HA   ASP  69           HA       ASP  69  -7.561 -15.114  -1.665
  506   1HB   ASP  69          2HB       ASP  69  -7.789 -13.804   0.488
  507   2HB   ASP  69          1HB       ASP  69  -7.620 -15.545   0.709
  508    H    GLU  70           HN       GLU  70  -5.744 -14.258  -3.376
  509    HA   GLU  70           HA       GLU  70  -4.459 -11.763  -2.841
  510   1HB   GLU  70          2HB       GLU  70  -4.371 -11.527  -5.315
  511   2HB   GLU  70          1HB       GLU  70  -3.864 -13.131  -4.786
  512   1HG   GLU  70          2HG       GLU  70  -6.097 -14.026  -5.299
  513   2HG   GLU  70          1HG       GLU  70  -6.640 -12.420  -5.785
  514    H    ASN  71           HN       ASN  71  -7.766 -12.558  -3.698
  515    HA   ASN  71           HA       ASN  71  -8.513  -9.860  -4.482
  516   1HB   ASN  71          2HB       ASN  71 -10.002 -12.392  -3.843
  517   2HB   ASN  71          1HB       ASN  71 -10.883 -10.870  -3.973
  518   1HD2  ASN  71          2HD2      ASN  71 -11.051 -11.470  -7.453
  519   2HD2  ASN  71          1HD2      ASN  71 -11.914 -11.265  -6.005
  520    H    ASP  72           HN       ASP  72  -8.887 -11.787  -1.505
  521    HA   ASP  72           HA       ASP  72 -10.232  -9.676  -0.051
  522   1HB   ASP  72          2HB       ASP  72  -8.749 -12.117   0.967
  523   2HB   ASP  72          1HB       ASP  72  -9.827 -11.101   1.925
  524    H    ALA  73           HN       ALA  73  -6.907 -10.260  -0.822
  525    HA   ALA  73           HA       ALA  73  -5.851  -8.810   1.487
  526   1HB   ALA  73          2HB       ALA  73  -4.569 -10.605   0.301
  527   2HB   ALA  73          1HB       ALA  73  -4.444  -9.532  -1.094
  528   3HB   ALA  73          3HB       ALA  73  -3.691  -9.081   0.435
  529    H    LEU  74           HN       LEU  74  -6.244  -8.096  -2.007
  530    HA   LEU  74           HA       LEU  74  -5.123  -5.473  -1.846
  531   1HB   LEU  74          2HB       LEU  74  -6.107  -5.075  -4.035
  532   2HB   LEU  74          1HB       LEU  74  -5.446  -6.705  -3.976
  533    HG   LEU  74           HG       LEU  74  -7.915  -7.316  -3.216
  534   1HD1  LEU  74          1HD1      LEU  74  -8.202  -4.581  -3.684
  535   2HD1  LEU  74          3HD1      LEU  74  -8.831  -5.317  -5.158
  536   3HD1  LEU  74          2HD1      LEU  74  -9.516  -5.753  -3.593
  537   1HD2  LEU  74          2HD2      LEU  74  -7.016  -6.715  -6.048
  538   2HD2  LEU  74          1HD2      LEU  74  -6.847  -8.244  -5.185
  539   3HD2  LEU  74          3HD2      LEU  74  -8.447  -7.666  -5.652
  540    H    ASN  75           HN       ASN  75  -8.511  -6.570  -1.542
  541    HA   ASN  75           HA       ASN  75  -9.488  -3.849  -1.205
  542   1HB   ASN  75          2HB       ASN  75 -11.632  -4.916  -0.594
  543   2HB   ASN  75          1HB       ASN  75 -10.980  -5.592  -2.084
  544   1HD2  ASN  75          2HD2      ASN  75 -12.011  -8.474   0.017
  545   2HD2  ASN  75          1HD2      ASN  75 -12.793  -7.187  -0.764
  546    H    ALA  76           HN       ALA  76  -8.109  -6.261   0.891
  547    HA   ALA  76           HA       ALA  76  -9.211  -5.314   3.376
  548   1HB   ALA  76          1HB       ALA  76  -6.628  -6.770   2.735
  549   2HB   ALA  76          3HB       ALA  76  -7.191  -6.451   4.376
  550   3HB   ALA  76          2HB       ALA  76  -8.136  -7.484   3.305
  551    H    LEU  77           HN       LEU  77  -5.958  -4.793   1.939
  552    HA   LEU  77           HA       LEU  77  -5.203  -2.715   3.741
  553   1HB   LEU  77          2HB       LEU  77  -4.293  -3.038   0.871
  554   2HB   LEU  77          1HB       LEU  77  -3.431  -2.212   2.168
  555    HG   LEU  77           HG       LEU  77  -4.074  -4.879   3.050
  556   1HD1  LEU  77          3HD1      LEU  77  -3.958  -4.967   0.358
  557   2HD1  LEU  77          2HD1      LEU  77  -2.235  -5.093   0.725
  558   3HD1  LEU  77          1HD1      LEU  77  -3.367  -6.276   1.382
  559   1HD2  LEU  77          2HD2      LEU  77  -1.482  -3.471   2.343
  560   2HD2  LEU  77          1HD2      LEU  77  -2.228  -3.569   3.937
  561   3HD2  LEU  77          3HD2      LEU  77  -1.570  -5.019   3.180
  562    H    GLU  78           HN       GLU  78  -7.148  -2.684   0.814
  563    HA   GLU  78           HA       GLU  78  -6.998   0.103   0.217
  564   1HB   GLU  78          2HB       GLU  78  -8.012  -1.601  -1.284
  565   2HB   GLU  78          1HB       GLU  78  -9.357  -1.769  -0.158
  566   1HG   GLU  78          2HG       GLU  78 -10.330   0.174  -0.830
  567   2HG   GLU  78          1HG       GLU  78  -8.787   1.016  -0.954
  568    H    GLU  79           HN       GLU  79  -9.537  -1.626   2.087
  569    HA   GLU  79           HA       GLU  79 -10.898   0.723   2.943
  570   1HB   GLU  79          2HB       GLU  79 -11.833  -0.749   4.738
  571   2HB   GLU  79          1HB       GLU  79 -11.937  -1.466   3.131
  572   1HG   GLU  79          2HG       GLU  79 -10.057  -2.891   3.543
  573   2HG   GLU  79          1HG       GLU  79  -9.645  -2.026   5.024
  574    H    THR  80           HN       THR  80  -8.039  -0.894   4.217
  575    HA   THR  80           HA       THR  80  -8.001   0.473   6.762
  576    HB   THR  80           HB       THR  80  -5.676  -0.666   5.173
  577    HG1  THR  80           HG1      THR  80  -7.460  -2.110   5.693
  578   1HG2  THR  80          2HG2      THR  80  -6.032   0.265   8.013
  579   2HG2  THR  80          1HG2      THR  80  -4.844  -0.980   7.624
  580   3HG2  THR  80          3HG2      THR  80  -4.720   0.619   6.888
  581    H    MET  81           HN       MET  81  -6.856   1.244   3.533
  582    HA   MET  81           HA       MET  81  -5.268   3.539   4.295
  583   1HB   MET  81          2HB       MET  81  -6.475   2.598   1.686
  584   2HB   MET  81          1HB       MET  81  -5.560   4.100   1.804
  585   1HG   MET  81          2HG       MET  81  -4.478   1.428   2.730
  586   2HG   MET  81          1HG       MET  81  -4.195   2.077   1.114
  587   1HE   MET  81          2HE       MET  81  -2.146   2.956   0.595
  588   2HE   MET  81          1HE       MET  81  -3.048   4.468   0.671
  589   3HE   MET  81          3HE       MET  81  -1.417   4.371   1.350
  590    H    LYS  82           HN       LYS  82  -8.622   3.010   3.338
  591    HA   LYS  82           HA       LYS  82  -9.290   5.836   3.204
  592   1HB   LYS  82          2HB       LYS  82 -10.924   3.292   3.275
  593   2HB   LYS  82          1HB       LYS  82 -11.674   4.891   3.252
  594   1HG   LYS  82          2HG       LYS  82  -9.612   4.030   1.214
  595   2HG   LYS  82          1HG       LYS  82 -11.342   3.793   0.972
  596   1HD   LYS  82          2HD       LYS  82 -10.610   6.520   1.835
  597   2HD   LYS  82          1HD       LYS  82  -9.966   6.064   0.258
  598   1HE   LYS  82          2HE       LYS  82 -12.833   5.443   0.861
  599   2HE   LYS  82          1HE       LYS  82 -12.393   7.106   0.470
  600   1HZ   LYS  82          2HZ       LYS  82 -11.127   5.982  -1.472
  601   2HZ   LYS  82          1HZ       LYS  82 -12.197   4.692  -1.195
  602   3HZ   LYS  82          3HZ       LYS  82 -12.804   6.224  -1.593
  603    H    SER  83           HN       SER  83  -9.094   3.462   5.747
  604    HA   SER  83           HA       SER  83 -10.912   4.671   7.608
  605   1HB   SER  83          2HB       SER  83  -9.863   3.280   9.268
  606   2HB   SER  83          1HB       SER  83  -9.909   2.350   7.774
  607    HG   SER  83           HG       SER  83  -7.850   2.255   8.717
  608    H    GLU  84           HN       GLU  84  -7.360   4.957   7.261
  609    HA   GLU  84           HA       GLU  84  -7.416   7.283   9.108
  610   1HB   GLU  84          2HB       GLU  84  -5.206   5.559   7.992
  611   2HB   GLU  84          1HB       GLU  84  -4.867   7.080   8.820
  612   1HG   GLU  84          2HG       GLU  84  -6.737   5.190  10.169
  613   2HG   GLU  84          1HG       GLU  84  -5.029   4.747  10.141
  614    H    GLY  85           HN       GLY  85  -8.057   7.017   5.954
  615   1HA   GLY  85          2HA       GLY  85  -7.893   8.476   4.130
  616   2HA   GLY  85          1HA       GLY  85  -7.480   9.722   5.308
  617    H    LEU  86           HN       LEU  86  -6.175   7.306   3.121
  618    HA   LEU  86           HA       LEU  86  -3.520   8.657   3.338
  619   1HB   LEU  86          2HB       LEU  86  -4.148   5.708   3.365
  620   2HB   LEU  86          1HB       LEU  86  -2.580   6.298   2.811
  621    HG   LEU  86           HG       LEU  86  -3.804   6.996   5.495
  622   1HD1  LEU  86          3HD1      LEU  86  -3.203   4.551   5.174
  623   2HD1  LEU  86          2HD1      LEU  86  -1.537   5.072   4.921
  624   3HD1  LEU  86          1HD1      LEU  86  -2.328   5.368   6.469
  625   1HD2  LEU  86          2HD2      LEU  86  -1.147   7.518   4.150
  626   2HD2  LEU  86          1HD2      LEU  86  -2.250   8.685   4.879
  627   3HD2  LEU  86          3HD2      LEU  86  -1.324   7.588   5.903
  628    H    GLY  87           HN       GLY  87  -5.189   6.174   1.363
  629   1HA   GLY  87          2HA       GLY  87  -4.672   7.836  -1.048
  630   2HA   GLY  87          1HA       GLY  87  -4.079   6.175  -1.038
  631    H    GLU  88           HN       GLU  88  -6.151   7.397  -2.768
  632    HA   GLU  88           HA       GLU  88  -8.344   5.472  -2.141
  633   1HB   GLU  88          2HB       GLU  88  -9.974   7.184  -2.982
  634   2HB   GLU  88          1HB       GLU  88  -9.178   7.660  -1.482
  635   1HG   GLU  88          2HG       GLU  88  -7.820   9.239  -2.547
  636   2HG   GLU  88          1HG       GLU  88  -7.990   8.464  -4.124
   
  No H/Q in entry =         636
  Start of MODEL   18
    1   1H    ALA   2          3HT       ALA   2  -6.996  -8.478 -10.114
    2   2H    ALA   2          2HT       ALA   2  -6.077  -9.876  -9.810
    3   3H    ALA   2          1HT       ALA   2  -7.775  -9.947  -9.774
    4    HA   ALA   2           HA       ALA   2  -7.936  -8.856  -7.766
    5   1HB   ALA   2          3HB       ALA   2  -6.375 -11.097  -7.927
    6   2HB   ALA   2          2HB       ALA   2  -5.290  -9.986  -7.092
    7   3HB   ALA   2          1HB       ALA   2  -6.877 -10.348  -6.411
    8    H    GLN   3           HN       GLN   3  -5.010  -8.073  -9.517
    9    HA   GLN   3           HA       GLN   3  -3.839  -6.297  -7.597
   10   1HB   GLN   3          2HB       GLN   3  -2.710  -5.283  -9.615
   11   2HB   GLN   3          1HB       GLN   3  -2.513  -7.028  -9.476
   12   1HG   GLN   3          2HG       GLN   3  -4.018  -7.469 -11.217
   13   2HG   GLN   3          1HG       GLN   3  -4.802  -5.896 -11.064
   14   1HE2  GLN   3          2HE2      GLN   3  -1.309  -6.197 -13.199
   15   2HE2  GLN   3          1HE2      GLN   3  -1.749  -7.444 -12.134
   16    H    LYS   4           HN       LYS   4  -3.936  -3.981  -7.524
   17    HA   LYS   4           HA       LYS   4  -6.076  -2.635  -9.053
   18   1HB   LYS   4          2HB       LYS   4  -6.221  -3.276  -6.147
   19   2HB   LYS   4          1HB       LYS   4  -6.741  -1.662  -6.635
   20   1HG   LYS   4          2HG       LYS   4  -7.981  -3.122  -8.542
   21   2HG   LYS   4          1HG       LYS   4  -7.960  -4.306  -7.234
   22   1HD   LYS   4          2HD       LYS   4  -8.902  -2.486  -5.727
   23   2HD   LYS   4          1HD       LYS   4  -9.150  -1.524  -7.183
   24   1HE   LYS   4          2HE       LYS   4 -10.206  -4.110  -7.723
   25   2HE   LYS   4          1HE       LYS   4 -10.798  -3.633  -6.132
   26   1HZ   LYS   4          2HZ       LYS   4 -10.861  -1.729  -8.379
   27   2HZ   LYS   4          1HZ       LYS   4 -12.087  -2.891  -8.209
   28   3HZ   LYS   4          3HZ       LYS   4 -11.817  -1.759  -6.975
   29    H    THR   5           HN       THR   5  -5.582  -0.490  -9.392
   30    HA   THR   5           HA       THR   5  -2.984   0.459  -8.348
   31    HB   THR   5           HB       THR   5  -4.870   1.814 -10.299
   32    HG1  THR   5           HG1      THR   5  -3.566   0.870 -11.872
   33   1HG2  THR   5          2HG2      THR   5  -2.893   3.011  -9.011
   34   2HG2  THR   5          1HG2      THR   5  -1.899   2.175 -10.204
   35   3HG2  THR   5          3HG2      THR   5  -3.147   3.305 -10.731
   36    H    PHE   6           HN       PHE   6  -2.773   2.182  -6.926
   37    HA   PHE   6           HA       PHE   6  -5.316   3.409  -5.935
   38   1HB   PHE   6          2HB       PHE   6  -2.869   2.505  -4.399
   39   2HB   PHE   6          1HB       PHE   6  -4.090   3.577  -3.710
   40    HD1  PHE   6          1HD       PHE   6  -3.874   0.346  -5.615
   41    HD2  PHE   6          2HD       PHE   6  -5.868   2.613  -2.560
   42    HE1  PHE   6          1HE       PHE   6  -5.305  -1.613  -5.096
   43    HE2  PHE   6          2HE       PHE   6  -7.299   0.657  -2.043
   44    HZ   PHE   6           HZ       PHE   6  -7.019  -1.456  -3.309
   45    H    LYS   7           HN       LYS   7  -4.844   5.542  -4.763
   46    HA   LYS   7           HA       LYS   7  -2.725   7.046  -6.254
   47   1HB   LYS   7          2HB       LYS   7  -5.286   7.506  -6.644
   48   2HB   LYS   7          1HB       LYS   7  -5.172   8.362  -5.107
   49   1HG   LYS   7          2HG       LYS   7  -4.685  10.057  -6.644
   50   2HG   LYS   7          1HG       LYS   7  -3.075   9.496  -6.188
   51   1HD   LYS   7          2HD       LYS   7  -3.100   9.638  -8.584
   52   2HD   LYS   7          1HD       LYS   7  -3.175   7.924  -8.177
   53   1HE   LYS   7          2HE       LYS   7  -4.948   7.918  -9.614
   54   2HE   LYS   7          1HE       LYS   7  -5.832   8.551  -8.226
   55   1HZ   LYS   7          3HZ       LYS   7  -4.389  10.372 -10.038
   56   2HZ   LYS   7          2HZ       LYS   7  -5.944   9.815 -10.437
   57   3HZ   LYS   7          1HZ       LYS   7  -5.697  10.703  -9.010
   58    H    VAL   8           HN       VAL   8  -1.340   8.294  -5.028
   59    HA   VAL   8           HA       VAL   8  -1.517   7.981  -2.093
   60    HB   VAL   8           HB       VAL   8   0.649   9.342  -3.720
   61   1HG1  VAL   8          3HG1      VAL   8   0.402   9.697  -1.172
   62   2HG1  VAL   8          2HG1      VAL   8   0.871   8.003  -1.024
   63   3HG1  VAL   8          1HG1      VAL   8   1.975   9.163  -1.765
   64   1HG2  VAL   8          2HG2      VAL   8   0.384   6.457  -2.812
   65   2HG2  VAL   8          1HG2      VAL   8   0.406   7.029  -4.480
   66   3HG2  VAL   8          3HG2      VAL   8   1.853   7.163  -3.483
   67    H    THR   9           HN       THR   9  -2.842   9.463  -1.134
   68    HA   THR   9           HA       THR   9  -2.440  12.333  -1.871
   69    HB   THR   9           HB       THR   9  -5.099  11.263  -0.937
   70    HG1  THR   9           HG1      THR   9  -5.646  10.857  -3.003
   71   1HG2  THR   9          2HG2      THR   9  -4.090  13.729  -2.351
   72   2HG2  THR   9          1HG2      THR   9  -5.798  13.290  -2.368
   73   3HG2  THR   9          3HG2      THR   9  -4.988  13.625  -0.837
   74    H    ALA  10           HN       ALA  10  -1.442  10.475   0.375
   75    HA   ALA  10           HA       ALA  10  -2.732  11.479   2.782
   76   1HB   ALA  10          3HB       ALA  10  -1.623   9.256   2.705
   77   2HB   ALA  10          2HB       ALA  10  -0.073  10.057   2.456
   78   3HB   ALA  10          1HB       ALA  10  -0.948  10.282   3.970
   79    H    ASP  11           HN       ASP  11  -1.581  12.808   4.397
   80    HA   ASP  11           HA       ASP  11  -0.401  15.158   3.227
   81   1HB   ASP  11          2HB       ASP  11  -1.503  14.465   5.710
   82   2HB   ASP  11          1HB       ASP  11   0.183  14.830   6.073
   83    H    SER  12           HN       SER  12   1.046  12.809   5.518
   84    HA   SER  12           HA       SER  12   3.745  13.687   4.951
   85   1HB   SER  12          2HB       SER  12   4.261  11.402   6.118
   86   2HB   SER  12          1HB       SER  12   3.517  12.690   7.061
   87    HG   SER  12           HG       SER  12   1.776  11.523   7.230
   88    H    GLY  13           HN       GLY  13   1.609  11.239   3.622
   89   1HA   GLY  13          2HA       GLY  13   1.984  10.484   1.311
   90   2HA   GLY  13          1HA       GLY  13   3.720  10.589   1.612
   91    H    ILE  14           HN       ILE  14   4.320   8.455   1.306
   92    HA   ILE  14           HA       ILE  14   3.021   6.451   3.107
   93    HB   ILE  14           HB       ILE  14   4.302   5.893   0.417
   94   1HG1  ILE  14          2HG1      ILE  14   1.358   5.995   1.149
   95   2HG1  ILE  14          1HG1      ILE  14   2.205   7.257   0.256
   96   1HG2  ILE  14          1HG2      ILE  14   3.112   4.258   2.596
   97   2HG2  ILE  14          3HG2      ILE  14   2.669   3.801   0.950
   98   3HG2  ILE  14          2HG2      ILE  14   4.367   3.838   1.428
   99   1HD1  ILE  14          1HD1      ILE  14   2.433   4.448  -0.740
  100   2HD1  ILE  14          3HD1      ILE  14   0.914   5.302  -1.014
  101   3HD1  ILE  14          2HD1      ILE  14   2.422   5.961  -1.646
  102   1HN   HIP  15           HN       HIP  15   4.767   7.330   4.588
  103    HA   HIP  15           HA       HIP  15   7.448   6.262   3.919
  104   1HB   HIP  15          1HB       HIP  15   7.223   8.670   4.626
  105   2HB   HIP  15          2HB       HIP  15   8.352   7.732   5.580
  106    HD2  HIP  15          2HD       HIP  15   4.462   8.383   6.121
  107    HE2  HIP  15          2HE       HIP  15   4.229   9.034   8.623
  108    HE1  HIP  15          1HE       HIP  15   6.498   9.058   9.741
  109    H    ALA  16           HN       ALA  16   7.955   6.217   7.004
  110    HA   ALA  16           HA       ALA  16   7.516   3.395   7.276
  111   1HB   ALA  16          1HB       ALA  16   9.215   5.159   8.429
  112   2HB   ALA  16          3HB       ALA  16   8.048   4.950   9.735
  113   3HB   ALA  16          2HB       ALA  16   8.892   3.549   9.073
  114    H    ARG  17           HN       ARG  17   5.872   6.184   8.843
  115    HA   ARG  17           HA       ARG  17   4.286   4.728  10.654
  116   1HB   ARG  17          2HB       ARG  17   4.434   7.378   9.860
  117   2HB   ARG  17          1HB       ARG  17   2.793   6.920   9.408
  118   1HG   ARG  17          2HG       ARG  17   2.549   7.614  11.639
  119   2HG   ARG  17          1HG       ARG  17   2.685   5.862  11.785
  120   1HD   ARG  17          2HD       ARG  17   5.333   6.718  11.833
  121   2HD   ARG  17          1HD       ARG  17   4.483   7.950  12.767
  122    HE   ARG  17           HE       ARG  17   4.976   5.247  13.627
  123   1HH1  ARG  17          HH11      ARG  17   2.380   4.553  13.938
  124   2HH1  ARG  17          HH12      ARG  17   1.736   5.465  15.262
  125   1HH2  ARG  17          HH21      ARG  17   4.271   7.831  15.210
  126   2HH2  ARG  17          HH22      ARG  17   2.808   7.320  15.984
  127    HA   PRO  18           HA       PRO  18   0.873   4.124   7.380
  128   1HB   PRO  18          2HB       PRO  18   1.473   4.644   4.744
  129   2HB   PRO  18          1HB       PRO  18   0.730   5.823   5.838
  130   1HG   PRO  18          2HG       PRO  18   3.547   5.677   4.864
  131   2HG   PRO  18          1HG       PRO  18   2.597   7.093   5.343
  132   1HD   PRO  18          2HD       PRO  18   4.554   5.850   6.920
  133   2HD   PRO  18          1HD       PRO  18   3.309   6.960   7.523
  134    H    ALA  19           HN       ALA  19   4.214   3.398   6.662
  135    HA   ALA  19           HA       ALA  19   3.680   1.032   5.052
  136   1HB   ALA  19          1HB       ALA  19   6.173   1.862   6.573
  137   2HB   ALA  19          3HB       ALA  19   6.086   0.571   5.375
  138   3HB   ALA  19          2HB       ALA  19   5.826   2.245   4.887
  139    H    THR  20           HN       THR  20   3.758   1.760   8.454
  140    HA   THR  20           HA       THR  20   4.152  -1.027   9.279
  141    HB   THR  20           HB       THR  20   3.085   1.058  11.138
  142    HG1  THR  20           HG1      THR  20   5.110   1.985  11.288
  143   1HG2  THR  20          1HG2      THR  20   5.033  -1.240  11.242
  144   2HG2  THR  20          3HG2      THR  20   4.958  -0.043  12.533
  145   3HG2  THR  20          2HG2      THR  20   3.542  -1.023  12.157
  146    H    VAL  21           HN       VAL  21   1.514   1.242   8.768
  147    HA   VAL  21           HA       VAL  21  -0.533  -0.376  10.039
  148    HB   VAL  21           HB       VAL  21  -0.931   1.646   7.841
  149   1HG1  VAL  21          1HG1      VAL  21  -2.641   0.502  10.048
  150   2HG1  VAL  21          3HG1      VAL  21  -3.064   2.005   9.229
  151   3HG1  VAL  21          2HG1      VAL  21  -2.958   0.502   8.313
  152   1HG2  VAL  21          2HG2      VAL  21  -0.316   2.008  10.764
  153   2HG2  VAL  21          1HG2      VAL  21   0.316   2.904   9.383
  154   3HG2  VAL  21          3HG2      VAL  21  -1.338   3.179   9.931
  155    H    LEU  22           HN       LEU  22   0.536   0.129   6.714
  156    HA   LEU  22           HA       LEU  22  -1.329  -1.682   5.505
  157   1HB   LEU  22          2HB       LEU  22   1.344  -0.600   4.589
  158   2HB   LEU  22          1HB       LEU  22   0.244  -1.519   3.556
  159    HG   LEU  22           HG       LEU  22  -0.516   1.034   5.008
  160   1HD1  LEU  22          1HD1      LEU  22   0.497   0.501   2.208
  161   2HD1  LEU  22          3HD1      LEU  22  -0.504   1.909   2.571
  162   3HD1  LEU  22          2HD1      LEU  22   1.059   1.710   3.366
  163   1HD2  LEU  22          2HD2      LEU  22  -1.874  -0.756   2.977
  164   2HD2  LEU  22          1HD2      LEU  22  -2.469  -0.269   4.565
  165   3HD2  LEU  22          3HD2      LEU  22  -2.390   0.908   3.254
  166    H    VAL  23           HN       VAL  23   2.145  -2.071   6.348
  167    HA   VAL  23           HA       VAL  23   2.429  -4.737   5.451
  168    HB   VAL  23           HB       VAL  23   4.331  -3.325   6.183
  169   1HG1  VAL  23          2HG1      VAL  23   3.001  -2.489   8.236
  170   2HG1  VAL  23          1HG1      VAL  23   3.561  -3.961   9.029
  171   3HG1  VAL  23          3HG1      VAL  23   4.727  -2.776   8.442
  172   1HG2  VAL  23          3HG2      VAL  23   4.120  -6.020   6.395
  173   2HG2  VAL  23          2HG2      VAL  23   5.601  -5.141   6.775
  174   3HG2  VAL  23          1HG2      VAL  23   4.502  -5.619   8.070
  175    H    GLN  24           HN       GLN  24   0.923  -3.502   8.372
  176    HA   GLN  24           HA       GLN  24   0.821  -6.035   9.771
  177   1HB   GLN  24          2HB       GLN  24  -0.724  -3.449  10.055
  178   2HB   GLN  24          1HB       GLN  24  -1.009  -4.843  11.095
  179   1HG   GLN  24          2HG       GLN  24   1.834  -4.192  10.845
  180   2HG   GLN  24          1HG       GLN  24   0.895  -2.869  11.530
  181   1HE2  GLN  24          2HE2      GLN  24   1.228  -4.521  14.642
  182   2HE2  GLN  24          1HE2      GLN  24   1.597  -3.140  13.726
  183    H    THR  25           HN       THR  25  -1.348  -4.356   7.526
  184    HA   THR  25           HA       THR  25  -3.552  -6.208   7.864
  185    HB   THR  25           HB       THR  25  -3.083  -4.584   5.370
  186    HG1  THR  25           HG1      THR  25  -4.065  -3.635   7.854
  187   1HG2  THR  25          3HG2      THR  25  -5.096  -6.195   5.915
  188   2HG2  THR  25          2HG2      THR  25  -5.645  -4.844   6.907
  189   3HG2  THR  25          1HG2      THR  25  -5.402  -4.623   5.175
  190    H    ALA  26           HN       ALA  26  -1.308  -5.751   5.104
  191    HA   ALA  26           HA       ALA  26  -2.054  -8.051   3.656
  192   1HB   ALA  26          1HB       ALA  26   0.626  -6.652   3.832
  193   2HB   ALA  26          3HB       ALA  26   0.239  -7.890   2.638
  194   3HB   ALA  26          2HB       ALA  26  -0.645  -6.364   2.645
  195    H    SER  27           HN       SER  27  -0.120  -7.809   6.553
  196    HA   SER  27           HA       SER  27   1.382 -10.221   6.349
  197   1HB   SER  27          2HB       SER  27   1.689 -10.061   8.712
  198   2HB   SER  27          1HB       SER  27   1.578  -8.402   8.134
  199    HG   SER  27           HG       SER  27   0.175  -8.479   9.794
  200    H    LYS  28           HN       LYS  28  -1.906  -9.630   7.575
  201    HA   LYS  28           HA       LYS  28  -2.433 -12.304   8.440
  202   1HB   LYS  28          2HB       LYS  28  -4.180  -9.999   7.584
  203   2HB   LYS  28          1HB       LYS  28  -4.884 -11.567   7.980
  204   1HG   LYS  28          2HG       LYS  28  -4.924 -10.606  10.078
  205   2HG   LYS  28          1HG       LYS  28  -3.309 -11.316  10.122
  206   1HD   LYS  28          2HD       LYS  28  -2.252  -9.259   9.731
  207   2HD   LYS  28          1HD       LYS  28  -3.708  -8.534   9.047
  208   1HE   LYS  28          2HE       LYS  28  -3.669  -9.438  11.917
  209   2HE   LYS  28          1HE       LYS  28  -3.007  -7.866  11.469
  210   1HZ   LYS  28          2HZ       LYS  28  -5.225  -7.594  10.226
  211   2HZ   LYS  28          1HZ       LYS  28  -5.776  -8.843  11.237
  212   3HZ   LYS  28          3HZ       LYS  28  -5.208  -7.395  11.912
  213    H    TYR  29           HN       TYR  29  -2.475 -10.795   5.273
  214    HA   TYR  29           HA       TYR  29  -3.777 -13.173   4.078
  215   1HB   TYR  29          2HB       TYR  29  -2.819 -10.617   2.746
  216   2HB   TYR  29          1HB       TYR  29  -3.822 -11.870   2.012
  217    HD1  TYR  29          2HD       TYR  29  -6.096 -12.380   3.022
  218    HD2  TYR  29          1HD       TYR  29  -3.791  -8.921   4.105
  219    HE1  TYR  29          2HE       TYR  29  -8.128 -11.321   3.968
  220    HE2  TYR  29          1HE       TYR  29  -5.825  -7.863   5.051
  221    HH   TYR  29           HH       TYR  29  -8.364  -9.272   5.986
  222    H    ASP  30           HN       ASP  30  -2.638 -14.734   3.054
  223    HA   ASP  30           HA       ASP  30   0.290 -14.602   3.085
  224   1HB   ASP  30          2HB       ASP  30  -1.535 -16.776   2.021
  225   2HB   ASP  30          1HB       ASP  30   0.188 -16.931   2.365
  226    H    ALA  31           HN       ALA  31  -2.145 -13.754   0.832
  227    HA   ALA  31           HA       ALA  31  -1.013 -14.518  -1.645
  228   1HB   ALA  31          3HB       ALA  31  -2.793 -12.287  -0.742
  229   2HB   ALA  31          2HB       ALA  31  -2.115 -12.216  -2.368
  230   3HB   ALA  31          1HB       ALA  31  -3.121 -13.584  -1.890
  231    H    ASP  32           HN       ASP  32   0.301 -13.265  -3.139
  232    HA   ASP  32           HA       ASP  32   2.430 -11.770  -1.745
  233   1HB   ASP  32          2HB       ASP  32   2.118 -13.021  -4.455
  234   2HB   ASP  32          1HB       ASP  32   3.342 -11.773  -4.221
  235    H    VAL  33           HN       VAL  33   1.090  -9.878  -1.281
  236    HA   VAL  33           HA       VAL  33   0.180  -8.277  -3.589
  237    HB   VAL  33           HB       VAL  33  -0.704  -6.738  -1.868
  238   1HG1  VAL  33          2HG1      VAL  33  -1.415  -9.544  -2.162
  239   2HG1  VAL  33          1HG1      VAL  33  -1.836  -8.959  -0.552
  240   3HG1  VAL  33          3HG1      VAL  33  -2.466  -8.142  -1.982
  241   1HG2  VAL  33          2HG2      VAL  33   1.187  -8.222  -0.201
  242   2HG2  VAL  33          1HG2      VAL  33   0.420  -6.665   0.097
  243   3HG2  VAL  33          3HG2      VAL  33  -0.416  -8.155   0.527
  244    H    ASN  34           HN       ASN  34   1.537  -6.854  -4.557
  245    HA   ASN  34           HA       ASN  34   3.778  -5.718  -2.929
  246   1HB   ASN  34          2HB       ASN  34   3.852  -6.375  -5.886
  247   2HB   ASN  34          1HB       ASN  34   5.195  -5.799  -4.899
  248   1HD2  ASN  34          2HD2      ASN  34   5.391  -9.547  -5.169
  249   2HD2  ASN  34          1HD2      ASN  34   5.354  -8.287  -6.306
  250    H    LEU  35           HN       LEU  35   3.748  -3.538  -2.823
  251    HA   LEU  35           HA       LEU  35   1.908  -2.025  -4.577
  252   1HB   LEU  35          2HB       LEU  35   2.004  -1.609  -2.100
  253   2HB   LEU  35          1HB       LEU  35   3.656  -1.028  -2.305
  254    HG   LEU  35           HG       LEU  35   1.664   0.186  -4.133
  255   1HD1  LEU  35          3HD1      LEU  35   0.652  -0.119  -1.691
  256   2HD1  LEU  35          2HD1      LEU  35   1.689   1.264  -1.342
  257   3HD1  LEU  35          1HD1      LEU  35   0.441   1.389  -2.581
  258   1HD2  LEU  35          3HD2      LEU  35   4.104   0.828  -3.881
  259   2HD2  LEU  35          2HD2      LEU  35   2.972   2.168  -3.694
  260   3HD2  LEU  35          1HD2      LEU  35   3.708   1.430  -2.271
  261    H    GLU  36           HN       GLU  36   2.700  -0.154  -5.805
  262    HA   GLU  36           HA       GLU  36   5.614  -0.360  -6.462
  263   1HB   GLU  36          2HB       GLU  36   4.093  -1.211  -8.270
  264   2HB   GLU  36          1HB       GLU  36   3.387   0.402  -8.372
  265   1HG   GLU  36          2HG       GLU  36   5.496   1.369  -9.030
  266   2HG   GLU  36          1HG       GLU  36   6.351  -0.136  -8.693
  267    H    TYR  37           HN       TYR  37   6.591   1.641  -7.208
  268    HA   TYR  37           HA       TYR  37   5.123   4.147  -6.624
  269   1HB   TYR  37          2HB       TYR  37   6.266   3.458  -4.499
  270   2HB   TYR  37          1HB       TYR  37   7.805   3.494  -5.360
  271    HD1  TYR  37          1HD       TYR  37   4.784   5.728  -5.221
  272    HD2  TYR  37          2HD       TYR  37   9.055   5.399  -4.889
  273    HE1  TYR  37          1HE       TYR  37   4.943   8.172  -4.840
  274    HE2  TYR  37          2HE       TYR  37   9.214   7.845  -4.508
  275    HH   TYR  37           HH       TYR  37   6.475   9.780  -3.832
  276    H    ASN  38           HN       ASN  38   5.307   4.800  -8.764
  277    HA   ASN  38           HA       ASN  38   6.333   5.859 -10.581
  278   1HB   ASN  38          2HB       ASN  38   8.285   6.143  -8.497
  279   2HB   ASN  38          1HB       ASN  38   9.132   5.696  -9.975
  280   1HD2  ASN  38          2HD2      ASN  38   8.341   9.468  -9.697
  281   2HD2  ASN  38          1HD2      ASN  38   8.842   8.388  -8.487
  282    H    GLY  39           HN       GLY  39   9.079   3.737  -9.732
  283   1HA   GLY  39          2HA       GLY  39   8.247   1.823 -11.826
  284   2HA   GLY  39          1HA       GLY  39   9.784   2.653 -12.067
  285    H    LYS  40           HN       LYS  40   8.689   1.843  -8.842
  286    HA   LYS  40           HA       LYS  40  10.704  -0.368  -8.750
  287   1HB   LYS  40          2HB       LYS  40  10.099   1.627  -6.545
  288   2HB   LYS  40          1HB       LYS  40  11.312   0.347  -6.495
  289   1HG   LYS  40          2HG       LYS  40  12.234   1.487  -8.662
  290   2HG   LYS  40          1HG       LYS  40  11.315   2.887  -8.106
  291   1HD   LYS  40          2HD       LYS  40  12.506   2.898  -5.990
  292   2HD   LYS  40          1HD       LYS  40  13.339   1.401  -6.410
  293   1HE   LYS  40          2HE       LYS  40  14.954   2.959  -7.004
  294   2HE   LYS  40          1HE       LYS  40  14.090   2.794  -8.533
  295   1HZ   LYS  40          1HZ       LYS  40  13.556   4.871  -6.479
  296   2HZ   LYS  40          3HZ       LYS  40  14.424   5.117  -7.915
  297   3HZ   LYS  40          2HZ       LYS  40  12.772   4.723  -7.979
  298    H    THR  41           HN       THR  41   9.723  -2.259  -8.237
  299    HA   THR  41           HA       THR  41   7.038  -2.183  -6.986
  300    HB   THR  41           HB       THR  41   8.571  -4.566  -8.064
  301    HG1  THR  41           HG1      THR  41   7.938  -3.954  -9.957
  302   1HG2  THR  41          2HG2      THR  41   6.520  -4.730  -6.408
  303   2HG2  THR  41          1HG2      THR  41   5.589  -4.340  -7.854
  304   3HG2  THR  41          3HG2      THR  41   6.604  -5.782  -7.823
  305    H    VAL  42           HN       VAL  42   7.307  -1.911  -4.797
  306    HA   VAL  42           HA       VAL  42   9.205  -3.732  -3.387
  307    HB   VAL  42           HB       VAL  42   8.451  -2.222  -1.358
  308   1HG1  VAL  42          3HG1      VAL  42  10.499  -1.887  -3.448
  309   2HG1  VAL  42          2HG1      VAL  42  10.199  -0.442  -2.482
  310   3HG1  VAL  42          1HG1      VAL  42  10.668  -1.949  -1.693
  311   1HG2  VAL  42          3HG2      VAL  42   6.747  -1.049  -2.940
  312   2HG2  VAL  42          2HG2      VAL  42   7.712  -0.040  -1.861
  313   3HG2  VAL  42          1HG2      VAL  42   8.152  -0.183  -3.563
  314    H    ASN  43           HN       ASN  43   8.434  -5.071  -1.705
  315    HA   ASN  43           HA       ASN  43   5.726  -6.035  -2.053
  316   1HB   ASN  43          2HB       ASN  43   7.925  -7.251  -1.183
  317   2HB   ASN  43          1HB       ASN  43   7.331  -6.707   0.386
  318   1HD2  ASN  43          2HD2      ASN  43   5.426  -9.735  -1.548
  319   2HD2  ASN  43          1HD2      ASN  43   6.748  -8.942  -2.258
  320    H    LEU  44           HN       LEU  44   3.938  -5.695  -0.722
  321    HA   LEU  44           HA       LEU  44   3.693  -3.233   0.669
  322   1HB   LEU  44          2HB       LEU  44   1.859  -4.837  -0.251
  323   2HB   LEU  44          1HB       LEU  44   2.006  -5.662   1.296
  324    HG   LEU  44           HG       LEU  44   0.166  -3.966   1.241
  325   1HD1  LEU  44          3HD1      LEU  44   1.870  -4.559   3.265
  326   2HD1  LEU  44          2HD1      LEU  44   2.061  -2.806   3.191
  327   3HD1  LEU  44          1HD1      LEU  44   0.464  -3.510   3.439
  328   1HD2  LEU  44          3HD2      LEU  44   1.497  -2.347  -0.236
  329   2HD2  LEU  44          2HD2      LEU  44   0.615  -1.624   1.111
  330   3HD2  LEU  44          1HD2      LEU  44   2.355  -1.876   1.231
  331    H    LYS  45           HN       LYS  45   4.720  -6.411   1.739
  332    HA   LYS  45           HA       LYS  45   4.770  -5.563   4.571
  333   1HB   LYS  45          2HB       LYS  45   5.686  -8.167   3.302
  334   2HB   LYS  45          1HB       LYS  45   5.479  -7.862   5.028
  335   1HG   LYS  45          2HG       LYS  45   3.412  -8.766   4.662
  336   2HG   LYS  45          1HG       LYS  45   3.026  -7.130   4.125
  337   1HD   LYS  45          2HD       LYS  45   3.042  -7.709   1.892
  338   2HD   LYS  45          1HD       LYS  45   4.232  -8.990   2.124
  339   1HE   LYS  45          2HE       LYS  45   1.541  -9.305   3.397
  340   2HE   LYS  45          1HE       LYS  45   1.683  -9.574   1.660
  341   1HZ   LYS  45          3HZ       LYS  45   3.337 -10.893   3.742
  342   2HZ   LYS  45          2HZ       LYS  45   2.033 -11.610   2.923
  343   3HZ   LYS  45          1HZ       LYS  45   3.436 -11.170   2.072
  344    H    SER  46           HN       SER  46   6.348  -3.824   3.486
  345    HA   SER  46           HA       SER  46   9.077  -4.671   4.237
  346   1HB   SER  46          2HB       SER  46   8.541  -4.877   1.623
  347   2HB   SER  46          1HB       SER  46   8.853  -3.143   1.670
  348    HG   SER  46           HG       SER  46  10.552  -5.263   2.494
  349    H    ILE  47           HN       ILE  47   8.491  -3.203   6.000
  350    HA   ILE  47           HA       ILE  47   7.788  -0.459   5.580
  351    HB   ILE  47           HB       ILE  47   9.271  -1.647   7.939
  352   1HG1  ILE  47          2HG1      ILE  47   6.296  -1.420   7.347
  353   2HG1  ILE  47          1HG1      ILE  47   7.218  -2.914   7.462
  354   1HG2  ILE  47          2HG2      ILE  47   9.029   0.933   7.552
  355   2HG2  ILE  47          1HG2      ILE  47   7.338   0.666   7.974
  356   3HG2  ILE  47          3HG2      ILE  47   8.608   0.270   9.131
  357   1HD1  ILE  47          2HD1      ILE  47   7.853  -1.941   9.853
  358   2HD1  ILE  47          1HD1      ILE  47   6.336  -1.068   9.641
  359   3HD1  ILE  47          3HD1      ILE  47   6.350  -2.831   9.604
  360    H    MET  48           HN       MET  48  10.919  -2.102   5.907
  361    HA   MET  48           HA       MET  48  12.471   0.349   5.888
  362   1HB   MET  48          2HB       MET  48  13.239  -1.886   6.807
  363   2HB   MET  48          1HB       MET  48  13.409  -2.429   5.138
  364   1HG   MET  48          2HG       MET  48  15.539  -1.625   5.428
  365   2HG   MET  48          1HG       MET  48  14.762  -0.114   4.957
  366   1HE   MET  48          3HE       MET  48  16.106   1.544   5.890
  367   2HE   MET  48          2HE       MET  48  16.790   1.629   7.510
  368   3HE   MET  48          1HE       MET  48  17.359   0.398   6.386
  369    H    GLY  49           HN       GLY  49  11.081  -1.701   3.423
  370   1HA   GLY  49          2HA       GLY  49  12.804  -0.737   1.276
  371   2HA   GLY  49          1HA       GLY  49  11.342  -1.701   1.076
  372    H    VAL  50           HN       VAL  50   9.696   0.186   2.658
  373    HA   VAL  50           HA       VAL  50   9.050   2.023   0.474
  374    HB   VAL  50           HB       VAL  50   7.850   1.832   3.257
  375   1HG1  VAL  50          1HG1      VAL  50   7.435   3.955   1.968
  376   2HG1  VAL  50          3HG1      VAL  50   6.693   2.980   0.699
  377   3HG1  VAL  50          2HG1      VAL  50   5.971   3.032   2.308
  378   1HG2  VAL  50          3HG2      VAL  50   7.572   0.179   0.824
  379   2HG2  VAL  50          2HG2      VAL  50   7.152  -0.197   2.494
  380   3HG2  VAL  50          1HG2      VAL  50   6.039   0.735   1.497
  381    H    VAL  51           HN       VAL  51  10.425   2.268   3.738
  382    HA   VAL  51           HA       VAL  51  10.469   5.123   3.895
  383    HB   VAL  51           HB       VAL  51  12.432   3.165   5.129
  384   1HG1  VAL  51          1HG1      VAL  51  11.654   6.027   5.724
  385   2HG1  VAL  51          3HG1      VAL  51  12.470   5.005   6.906
  386   3HG1  VAL  51          2HG1      VAL  51  13.263   5.392   5.379
  387   1HG2  VAL  51          3HG2      VAL  51   9.766   3.014   5.471
  388   2HG2  VAL  51          2HG2      VAL  51  10.898   2.713   6.788
  389   3HG2  VAL  51          1HG2      VAL  51  10.117   4.287   6.639
  390    H    SER  52           HN       SER  52  12.580   2.807   2.310
  391    HA   SER  52           HA       SER  52  14.801   4.583   1.861
  392   1HB   SER  52          2HB       SER  52  15.482   2.944   0.153
  393   2HB   SER  52          1HB       SER  52  14.979   2.126   1.630
  394    HG   SER  52           HG       SER  52  14.000   1.876  -0.832
  395    H    LEU  53           HN       LEU  53  11.778   3.985   0.149
  396    HA   LEU  53           HA       LEU  53  12.520   5.480  -2.228
  397   1HB   LEU  53          2HB       LEU  53   9.763   4.786  -1.164
  398   2HB   LEU  53          1HB       LEU  53  10.138   5.325  -2.802
  399    HG   LEU  53           HG       LEU  53  11.517   2.908  -1.660
  400   1HD1  LEU  53          2HD1      LEU  53   8.865   2.895  -1.564
  401   2HD1  LEU  53          1HD1      LEU  53   9.025   2.609  -3.298
  402   3HD1  LEU  53          3HD1      LEU  53   9.748   1.484  -2.149
  403   1HD2  LEU  53          1HD2      LEU  53  12.099   4.142  -3.874
  404   2HD2  LEU  53          3HD2      LEU  53  11.922   2.389  -3.929
  405   3HD2  LEU  53          2HD2      LEU  53  10.611   3.426  -4.492
  406    H    GLY  54           HN       GLY  54  10.286   6.213   0.478
  407   1HA   GLY  54          2HA       GLY  54   9.995   8.296   1.582
  408   2HA   GLY  54          1HA       GLY  54  11.158   9.018   0.468
  409    H    ILE  55           HN       ILE  55   7.919   7.495   0.308
  410    HA   ILE  55           HA       ILE  55   7.175   9.063  -2.030
  411    HB   ILE  55           HB       ILE  55   5.400   7.465  -0.158
  412   1HG1  ILE  55          2HG1      ILE  55   6.764   6.608  -2.731
  413   2HG1  ILE  55          1HG1      ILE  55   7.308   6.154  -1.117
  414   1HG2  ILE  55          3HG2      ILE  55   5.054   8.789  -2.822
  415   2HG2  ILE  55          2HG2      ILE  55   4.212   7.266  -2.532
  416   3HG2  ILE  55          1HG2      ILE  55   3.913   8.652  -1.484
  417   1HD1  ILE  55          1HD1      ILE  55   4.445   5.654  -1.810
  418   2HD1  ILE  55          3HD1      ILE  55   5.661   4.589  -2.515
  419   3HD1  ILE  55          2HD1      ILE  55   5.524   4.732  -0.762
  420    H    ALA  56           HN       ALA  56   5.359  10.597  -2.034
  421    HA   ALA  56           HA       ALA  56   4.813  11.905   0.579
  422   1HB   ALA  56          2HB       ALA  56   6.772  12.911  -0.981
  423   2HB   ALA  56          1HB       ALA  56   5.383  13.713  -1.714
  424   3HB   ALA  56          3HB       ALA  56   5.723  13.933   0.002
  425    H    LYS  57           HN       LYS  57   3.258  13.951  -0.124
  426    HA   LYS  57           HA       LYS  57   0.854  12.705  -1.128
  427   1HB   LYS  57          2HB       LYS  57   1.152  14.713   0.524
  428   2HB   LYS  57          1HB       LYS  57   1.195  15.668  -0.954
  429   1HG   LYS  57          2HG       LYS  57  -0.984  15.002  -1.594
  430   2HG   LYS  57          1HG       LYS  57  -0.995  13.661  -0.448
  431   1HD   LYS  57          2HD       LYS  57  -1.566  14.997   1.315
  432   2HD   LYS  57          1HD       LYS  57  -0.589  16.347   0.740
  433   1HE   LYS  57          2HE       LYS  57  -2.415  17.330  -0.131
  434   2HE   LYS  57          1HE       LYS  57  -2.745  15.905  -1.116
  435   1HZ   LYS  57          1HZ       LYS  57  -3.417  15.877   1.745
  436   2HZ   LYS  57          3HZ       LYS  57  -4.447  16.673   0.659
  437   3HZ   LYS  57          2HZ       LYS  57  -4.126  15.017   0.464
  438    H    GLY  58           HN       GLY  58  -0.203  13.060  -3.116
  439   1HA   GLY  58          2HA       GLY  58  -0.436  13.747  -5.367
  440   2HA   GLY  58          1HA       GLY  58   0.944  14.823  -5.145
  441    H    ALA  59           HN       ALA  59   0.335  11.293  -5.122
  442    HA   ALA  59           HA       ALA  59   2.500  10.953  -7.115
  443   1HB   ALA  59          1HB       ALA  59   2.531   9.916  -4.297
  444   2HB   ALA  59          3HB       ALA  59   3.270   8.956  -5.577
  445   3HB   ALA  59          2HB       ALA  59   3.854  10.588  -5.250
  446    H    GLU  60           HN       GLU  60   2.629   8.357  -7.474
  447    HA   GLU  60           HA       GLU  60  -0.185   7.338  -7.564
  448   1HB   GLU  60          2HB       GLU  60   1.860   6.875  -9.752
  449   2HB   GLU  60          1HB       GLU  60   0.131   6.534  -9.800
  450   1HG   GLU  60          2HG       GLU  60   1.326   9.311  -9.547
  451   2HG   GLU  60          1HG       GLU  60   0.738   8.608 -11.054
  452    H    ILE  61           HN       ILE  61  -0.381   5.059  -7.330
  453    HA   ILE  61           HA       ILE  61   2.122   3.537  -6.801
  454    HB   ILE  61           HB       ILE  61   0.991   2.533  -4.767
  455   1HG1  ILE  61          2HG1      ILE  61  -0.837   4.939  -5.091
  456   2HG1  ILE  61          1HG1      ILE  61  -1.318   3.270  -5.397
  457   1HG2  ILE  61          3HG2      ILE  61   1.783   5.438  -4.930
  458   2HG2  ILE  61          2HG2      ILE  61   1.332   4.708  -3.389
  459   3HG2  ILE  61          1HG2      ILE  61   2.708   4.078  -4.295
  460   1HD1  ILE  61          1HD1      ILE  61  -0.118   4.065  -2.748
  461   2HD1  ILE  61          3HD1      ILE  61  -1.839   4.284  -3.060
  462   3HD1  ILE  61          2HD1      ILE  61  -1.130   2.671  -3.126
  463    H    THR  62           HN       THR  62   1.824   1.216  -6.994
  464    HA   THR  62           HA       THR  62  -0.766   0.385  -8.225
  465    HB   THR  62           HB       THR  62   1.801  -0.711  -9.314
  466    HG1  THR  62           HG1      THR  62   2.220   1.049 -10.394
  467   1HG2  THR  62          3HG2      THR  62  -0.582  -1.510  -9.864
  468   2HG2  THR  62          2HG2      THR  62  -0.759   0.011 -10.738
  469   3HG2  THR  62          1HG2      THR  62   0.475  -1.149 -11.228
  470    H    ILE  63           HN       ILE  63  -1.529  -1.159  -6.884
  471    HA   ILE  63           HA       ILE  63   0.386  -2.952  -5.481
  472    HB   ILE  63           HB       ILE  63  -2.600  -2.562  -5.082
  473   1HG1  ILE  63          2HG1      ILE  63  -0.257  -1.580  -3.419
  474   2HG1  ILE  63          1HG1      ILE  63  -1.181  -0.572  -4.532
  475   1HG2  ILE  63          2HG2      ILE  63  -0.508  -4.265  -3.748
  476   2HG2  ILE  63          1HG2      ILE  63  -1.870  -3.658  -2.806
  477   3HG2  ILE  63          3HG2      ILE  63  -2.159  -4.686  -4.209
  478   1HD1  ILE  63          1HD1      ILE  63  -2.755  -2.129  -2.547
  479   2HD1  ILE  63          3HD1      ILE  63  -1.799  -0.788  -1.914
  480   3HD1  ILE  63          2HD1      ILE  63  -3.013  -0.494  -3.157
  481    H    SER  64           HN       SER  64   0.011  -5.274  -5.532
  482    HA   SER  64           HA       SER  64  -1.855  -6.303  -7.573
  483   1HB   SER  64          2HB       SER  64   0.168  -7.696  -8.480
  484   2HB   SER  64          1HB       SER  64  -0.077  -6.053  -9.062
  485    HG   SER  64           HG       SER  64   1.875  -7.103  -7.388
  486    H    ALA  65           HN       ALA  65  -2.909  -7.602  -6.110
  487    HA   ALA  65           HA       ALA  65  -1.364  -9.310  -4.251
  488   1HB   ALA  65          3HB       ALA  65  -3.635  -8.068  -3.781
  489   2HB   ALA  65          2HB       ALA  65  -4.348  -9.453  -4.609
  490   3HB   ALA  65          1HB       ALA  65  -3.392  -9.696  -3.148
  491    H    SER  66           HN       SER  66  -0.735 -11.327  -4.886
  492    HA   SER  66           HA       SER  66  -2.482 -12.856  -6.739
  493   1HB   SER  66          2HB       SER  66  -0.025 -11.616  -7.518
  494   2HB   SER  66          1HB       SER  66   0.220 -13.359  -7.522
  495    HG   SER  66           HG       SER  66  -0.676 -12.993  -9.453
  496    H    GLY  67           HN       GLY  67  -2.953 -14.522  -5.356
  497   1HA   GLY  67          2HA       GLY  67  -1.003 -16.523  -4.776
  498   2HA   GLY  67          1HA       GLY  67  -1.264 -15.559  -3.323
  499    H    ALA  68           HN       ALA  68  -2.675 -16.574  -1.998
  500    HA   ALA  68           HA       ALA  68  -4.749 -18.353  -3.128
  501   1HB   ALA  68          2HB       ALA  68  -3.886 -17.755  -0.284
  502   2HB   ALA  68          1HB       ALA  68  -5.191 -18.867  -0.700
  503   3HB   ALA  68          3HB       ALA  68  -3.539 -19.213  -1.214
  504    H    ASP  69           HN       ASP  69  -4.864 -15.954  -0.477
  505    HA   ASP  69           HA       ASP  69  -7.606 -15.227  -1.369
  506   1HB   ASP  69          2HB       ASP  69  -7.716 -14.063   0.862
  507   2HB   ASP  69          1HB       ASP  69  -7.437 -15.800   0.983
  508    H    GLU  70           HN       GLU  70  -5.714 -14.277  -3.092
  509    HA   GLU  70           HA       GLU  70  -4.553 -11.751  -2.494
  510   1HB   GLU  70          2HB       GLU  70  -4.548 -11.408  -4.963
  511   2HB   GLU  70          1HB       GLU  70  -3.938 -12.997  -4.503
  512   1HG   GLU  70          2HG       GLU  70  -6.556 -13.598  -4.765
  513   2HG   GLU  70          1HG       GLU  70  -6.451 -12.269  -5.919
  514    H    ASN  71           HN       ASN  71  -7.829 -12.620  -3.468
  515    HA   ASN  71           HA       ASN  71  -8.705  -9.942  -4.078
  516   1HB   ASN  71          2HB       ASN  71 -10.047 -12.559  -3.515
  517   2HB   ASN  71          1HB       ASN  71 -11.017 -11.086  -3.465
  518   1HD2  ASN  71          2HD2      ASN  71 -11.390 -11.521  -6.964
  519   2HD2  ASN  71          1HD2      ASN  71 -12.164 -11.550  -5.454
  520    H    ASP  72           HN       ASP  72  -8.539 -11.843  -1.117
  521    HA   ASP  72           HA       ASP  72 -10.091  -9.944   0.455
  522   1HB   ASP  72          2HB       ASP  72  -8.232 -12.177   1.320
  523   2HB   ASP  72          1HB       ASP  72  -9.326 -11.292   2.384
  524    H    ALA  73           HN       ALA  73  -6.746 -10.256  -0.482
  525    HA   ALA  73           HA       ALA  73  -5.740  -8.548   1.665
  526   1HB   ALA  73          3HB       ALA  73  -4.508  -9.647  -0.867
  527   2HB   ALA  73          2HB       ALA  73  -3.640  -8.566   0.223
  528   3HB   ALA  73          1HB       ALA  73  -4.189 -10.141   0.797
  529    H    LEU  74           HN       LEU  74  -6.610  -8.124  -1.766
  530    HA   LEU  74           HA       LEU  74  -5.605  -5.434  -1.927
  531   1HB   LEU  74          2HB       LEU  74  -6.799  -5.261  -4.028
  532   2HB   LEU  74          1HB       LEU  74  -6.079  -6.862  -3.921
  533    HG   LEU  74           HG       LEU  74  -8.421  -7.516  -2.897
  534   1HD1  LEU  74          1HD1      LEU  74  -8.864  -4.801  -3.493
  535   2HD1  LEU  74          3HD1      LEU  74  -9.690  -5.684  -4.778
  536   3HD1  LEU  74          2HD1      LEU  74 -10.090  -6.000  -3.090
  537   1HD2  LEU  74          3HD2      LEU  74  -7.320  -8.234  -5.093
  538   2HD2  LEU  74          2HD2      LEU  74  -9.083  -8.273  -5.064
  539   3HD2  LEU  74          1HD2      LEU  74  -8.245  -6.944  -5.860
  540    H    ASN  75           HN       ASN  75  -8.842  -6.735  -1.162
  541    HA   ASN  75           HA       ASN  75  -9.948  -4.048  -0.865
  542   1HB   ASN  75          2HB       ASN  75 -11.952  -5.227   0.035
  543   2HB   ASN  75          1HB       ASN  75 -11.444  -5.844  -1.535
  544   1HD2  ASN  75          2HD2      ASN  75 -11.806  -9.000   0.106
  545   2HD2  ASN  75          1HD2      ASN  75 -12.581  -7.894  -0.920
  546    H    ALA  76           HN       ALA  76  -8.169  -6.211   1.167
  547    HA   ALA  76           HA       ALA  76  -9.152  -5.273   3.713
  548   1HB   ALA  76          2HB       ALA  76  -6.477  -6.494   2.960
  549   2HB   ALA  76          1HB       ALA  76  -7.060  -6.270   4.609
  550   3HB   ALA  76          3HB       ALA  76  -7.898  -7.375   3.521
  551    H    LEU  77           HN       LEU  77  -6.078  -4.552   1.991
  552    HA   LEU  77           HA       LEU  77  -5.482  -2.293   3.691
  553   1HB   LEU  77          2HB       LEU  77  -4.388  -2.823   0.921
  554   2HB   LEU  77          1HB       LEU  77  -3.635  -1.879   2.206
  555    HG   LEU  77           HG       LEU  77  -4.225  -4.481   3.263
  556   1HD1  LEU  77          1HD1      LEU  77  -3.987  -4.756   0.562
  557   2HD1  LEU  77          3HD1      LEU  77  -2.300  -4.907   1.057
  558   3HD1  LEU  77          2HD1      LEU  77  -3.515  -5.998   1.723
  559   1HD2  LEU  77          3HD2      LEU  77  -1.614  -3.147   2.480
  560   2HD2  LEU  77          2HD2      LEU  77  -2.431  -2.992   4.035
  561   3HD2  LEU  77          1HD2      LEU  77  -1.762  -4.547   3.541
  562    H    GLU  78           HN       GLU  78  -7.359  -2.698   0.762
  563    HA   GLU  78           HA       GLU  78  -7.295   0.014  -0.160
  564   1HB   GLU  78          2HB       GLU  78  -8.152  -1.861  -1.526
  565   2HB   GLU  78          1HB       GLU  78  -9.516  -2.039  -0.425
  566   1HG   GLU  78          2HG       GLU  78 -10.630  -0.292  -1.347
  567   2HG   GLU  78          1HG       GLU  78  -9.182   0.713  -1.398
  568    H    GLU  79           HN       GLU  79  -9.881  -1.631   1.725
  569    HA   GLU  79           HA       GLU  79 -11.329   0.747   2.323
  570   1HB   GLU  79          2HB       GLU  79 -12.355  -0.576   4.162
  571   2HB   GLU  79          1HB       GLU  79 -12.308  -1.477   2.647
  572   1HG   GLU  79          2HG       GLU  79  -9.985  -2.323   3.581
  573   2HG   GLU  79          1HG       GLU  79 -10.684  -1.873   5.135
  574    H    THR  80           HN       THR  80  -8.470  -0.648   3.802
  575    HA   THR  80           HA       THR  80  -8.553   0.858   6.259
  576    HB   THR  80           HB       THR  80  -6.110  -0.159   4.775
  577    HG1  THR  80           HG1      THR  80  -7.723  -1.427   6.732
  578   1HG2  THR  80          2HG2      THR  80  -6.661   0.668   7.627
  579   2HG2  THR  80          1HG2      THR  80  -5.279  -0.338   7.190
  580   3HG2  THR  80          3HG2      THR  80  -5.426   1.292   6.533
  581    H    MET  81           HN       MET  81  -7.293   1.489   3.031
  582    HA   MET  81           HA       MET  81  -5.936   3.954   3.700
  583   1HB   MET  81          2HB       MET  81  -6.764   2.551   1.186
  584   2HB   MET  81          1HB       MET  81  -6.337   4.257   1.084
  585   1HG   MET  81          2HG       MET  81  -4.454   2.650   2.690
  586   2HG   MET  81          1HG       MET  81  -4.533   2.171   0.996
  587   1HE   MET  81          2HE       MET  81  -2.770   2.694  -0.150
  588   2HE   MET  81          1HE       MET  81  -1.791   4.158  -0.181
  589   3HE   MET  81          3HE       MET  81  -1.716   3.068   1.211
  590    H    LYS  82           HN       LYS  82  -9.221   3.080   2.849
  591    HA   LYS  82           HA       LYS  82 -10.047   5.845   2.341
  592   1HB   LYS  82          2HB       LYS  82 -11.651   3.292   2.687
  593   2HB   LYS  82          1HB       LYS  82 -12.321   4.847   2.186
  594   1HG   LYS  82          2HG       LYS  82 -10.034   3.543   0.703
  595   2HG   LYS  82          1HG       LYS  82 -11.717   3.195   0.310
  596   1HD   LYS  82          2HD       LYS  82 -10.668   6.025   0.456
  597   2HD   LYS  82          1HD       LYS  82 -10.593   5.077  -1.030
  598   1HE   LYS  82          2HE       LYS  82 -12.889   5.060  -1.302
  599   2HE   LYS  82          1HE       LYS  82 -13.201   5.202   0.428
  600   1HZ   LYS  82          3HZ       LYS  82 -12.275   7.501   0.261
  601   2HZ   LYS  82          2HZ       LYS  82 -12.297   7.328  -1.429
  602   3HZ   LYS  82          1HZ       LYS  82 -13.748   7.267  -0.546
  603    H    SER  83           HN       SER  83  -9.804   3.733   5.099
  604    HA   SER  83           HA       SER  83 -11.783   5.103   6.726
  605   1HB   SER  83          2HB       SER  83 -10.685   3.851   8.603
  606   2HB   SER  83          1HB       SER  83 -11.186   2.814   7.271
  607    HG   SER  83           HG       SER  83  -8.685   3.394   8.224
  608    H    GLU  84           HN       GLU  84  -8.199   5.081   6.747
  609    HA   GLU  84           HA       GLU  84  -8.115   7.380   8.554
  610   1HB   GLU  84          2HB       GLU  84  -5.946   5.942   6.996
  611   2HB   GLU  84          1HB       GLU  84  -5.645   7.243   8.150
  612   1HG   GLU  84          2HG       GLU  84  -7.235   4.806   8.940
  613   2HG   GLU  84          1HG       GLU  84  -5.472   4.809   9.017
  614    H    GLY  85           HN       GLY  85  -7.936   6.822   5.095
  615   1HA   GLY  85          2HA       GLY  85  -8.349   8.489   3.428
  616   2HA   GLY  85          1HA       GLY  85  -8.086   9.738   4.647
  617    H    LEU  86           HN       LEU  86  -5.937   7.011   3.971
  618    HA   LEU  86           HA       LEU  86  -3.674   8.847   3.667
  619   1HB   LEU  86          2HB       LEU  86  -3.893   5.833   3.493
  620   2HB   LEU  86          1HB       LEU  86  -2.374   6.724   3.378
  621    HG   LEU  86           HG       LEU  86  -4.272   6.996   5.719
  622   1HD1  LEU  86          1HD1      LEU  86  -3.238   4.652   5.280
  623   2HD1  LEU  86          3HD1      LEU  86  -1.714   5.408   5.741
  624   3HD1  LEU  86          2HD1      LEU  86  -3.054   5.357   6.887
  625   1HD2  LEU  86          2HD2      LEU  86  -1.364   7.738   5.262
  626   2HD2  LEU  86          1HD2      LEU  86  -2.717   8.859   5.419
  627   3HD2  LEU  86          3HD2      LEU  86  -2.206   7.894   6.804
  628    H    GLY  87           HN       GLY  87  -5.592   6.697   1.604
  629   1HA   GLY  87          2HA       GLY  87  -4.826   8.214  -0.769
  630   2HA   GLY  87          1HA       GLY  87  -4.155   6.583  -0.746
  631    H    GLU  88           HN       GLU  88  -6.004   7.366  -2.713
  632    HA   GLU  88           HA       GLU  88  -8.270   5.552  -2.045
  633   1HB   GLU  88          2HB       GLU  88  -9.817   7.124  -3.248
  634   2HB   GLU  88          1HB       GLU  88  -9.182   7.783  -1.741
  635   1HG   GLU  88          2HG       GLU  88  -7.327   8.835  -3.182
  636   2HG   GLU  88          1HG       GLU  88  -8.351   8.450  -4.566
   
  No H/Q in entry =         636
  Start of MODEL   19
    1   1H    ALA   2          3HT       ALA   2  -5.421  -9.534 -10.131
    2   2H    ALA   2          2HT       ALA   2  -4.890 -10.707  -9.022
    3   3H    ALA   2          1HT       ALA   2  -6.382 -10.893  -9.811
    4    HA   ALA   2           HA       ALA   2  -7.340  -9.077  -8.646
    5   1HB   ALA   2          1HB       ALA   2  -6.854 -11.412  -7.500
    6   2HB   ALA   2          3HB       ALA   2  -5.773 -10.451  -6.489
    7   3HB   ALA   2          2HB       ALA   2  -7.494 -10.072  -6.549
    8    H    GLN   3           HN       GLN   3  -6.056  -7.185  -9.374
    9    HA   GLN   3           HA       GLN   3  -4.202  -6.246  -7.221
   10   1HB   GLN   3          2HB       GLN   3  -3.050  -4.914  -9.028
   11   2HB   GLN   3          1HB       GLN   3  -2.863  -6.659  -9.192
   12   1HG   GLN   3          2HG       GLN   3  -4.169  -6.762 -11.076
   13   2HG   GLN   3          1HG       GLN   3  -5.219  -5.449 -10.545
   14   1HE2  GLN   3          2HE2      GLN   3  -1.596  -4.166 -11.998
   15   2HE2  GLN   3          1HE2      GLN   3  -1.639  -5.412 -10.846
   16    H    LYS   4           HN       LYS   4  -4.265  -3.925  -6.840
   17    HA   LYS   4           HA       LYS   4  -6.594  -2.498  -8.028
   18   1HB   LYS   4          2HB       LYS   4  -7.094  -3.627  -5.734
   19   2HB   LYS   4          1HB       LYS   4  -6.077  -2.352  -5.064
   20   1HG   LYS   4          2HG       LYS   4  -7.550  -0.660  -5.680
   21   2HG   LYS   4          1HG       LYS   4  -8.256  -1.612  -6.986
   22   1HD   LYS   4          2HD       LYS   4  -9.018  -3.182  -4.992
   23   2HD   LYS   4          1HD       LYS   4  -8.838  -1.703  -4.049
   24   1HE   LYS   4          2HE       LYS   4 -10.260  -0.560  -5.849
   25   2HE   LYS   4          1HE       LYS   4 -10.641  -2.183  -6.427
   26   1HZ   LYS   4          1HZ       LYS   4 -10.967  -1.500  -3.580
   27   2HZ   LYS   4          3HZ       LYS   4 -12.172  -1.085  -4.698
   28   3HZ   LYS   4          2HZ       LYS   4 -11.738  -2.714  -4.485
   29    H    THR   5           HN       THR   5  -6.243  -0.294  -8.270
   30    HA   THR   5           HA       THR   5  -3.500   0.655  -7.616
   31    HB   THR   5           HB       THR   5  -5.554   2.049  -9.346
   32    HG1  THR   5           HG1      THR   5  -3.557   0.180 -10.097
   33   1HG2  THR   5          3HG2      THR   5  -2.532   2.165  -9.143
   34   2HG2  THR   5          2HG2      THR   5  -3.486   3.014 -10.360
   35   3HG2  THR   5          1HG2      THR   5  -3.667   3.423  -8.654
   36    H    PHE   6           HN       PHE   6  -3.273   2.858  -6.731
   37    HA   PHE   6           HA       PHE   6  -5.670   3.939  -5.356
   38   1HB   PHE   6          2HB       PHE   6  -3.082   3.174  -3.971
   39   2HB   PHE   6          1HB       PHE   6  -4.372   4.117  -3.230
   40    HD1  PHE   6          1HD       PHE   6  -3.500   0.809  -4.669
   41    HD2  PHE   6          2HD       PHE   6  -6.393   3.084  -2.455
   42    HE1  PHE   6          1HE       PHE   6  -4.689  -1.284  -4.074
   43    HE2  PHE   6          2HE       PHE   6  -7.582   0.990  -1.862
   44    HZ   PHE   6           HZ       PHE   6  -6.732  -1.192  -2.669
   45    H    LYS   7           HN       LYS   7  -5.242   6.148  -4.504
   46    HA   LYS   7           HA       LYS   7  -3.013   7.500  -5.981
   47   1HB   LYS   7          2HB       LYS   7  -5.910   8.087  -5.828
   48   2HB   LYS   7          1HB       LYS   7  -4.860   9.487  -5.614
   49   1HG   LYS   7          2HG       LYS   7  -4.261   7.582  -7.846
   50   2HG   LYS   7          1HG       LYS   7  -5.601   8.712  -8.041
   51   1HD   LYS   7          2HD       LYS   7  -3.501  10.255  -6.972
   52   2HD   LYS   7          1HD       LYS   7  -2.738   9.218  -8.177
   53   1HE   LYS   7          2HE       LYS   7  -5.238  10.840  -8.720
   54   2HE   LYS   7          1HE       LYS   7  -3.610  11.414  -9.082
   55   1HZ   LYS   7          3HZ       LYS   7  -3.398   9.178 -10.309
   56   2HZ   LYS   7          2HZ       LYS   7  -5.097   9.174 -10.284
   57   3HZ   LYS   7          1HZ       LYS   7  -4.258  10.437 -11.050
   58    H    VAL   8           HN       VAL   8  -1.564   8.306  -4.564
   59    HA   VAL   8           HA       VAL   8  -2.210   8.615  -1.734
   60    HB   VAL   8           HB       VAL   8   0.302   9.534  -3.156
   61   1HG1  VAL   8          2HG1      VAL   8  -0.428  10.025  -0.623
   62   2HG1  VAL   8          1HG1      VAL   8   0.221   8.401  -0.396
   63   3HG1  VAL   8          3HG1      VAL   8   1.245   9.675  -1.056
   64   1HG2  VAL   8          3HG2      VAL   8  -0.561   6.798  -2.202
   65   2HG2  VAL   8          2HG2      VAL   8   0.130   7.244  -3.763
   66   3HG2  VAL   8          1HG2      VAL   8   1.143   7.235  -2.320
   67    H    THR   9           HN       THR   9  -3.254  10.379  -0.994
   68    HA   THR   9           HA       THR   9  -2.753  12.997  -2.356
   69    HB   THR   9           HB       THR   9  -5.218  12.297  -0.752
   70    HG1  THR   9           HG1      THR   9  -5.398  10.919  -2.389
   71   1HG2  THR   9          2HG2      THR   9  -4.276  14.551  -2.450
   72   2HG2  THR   9          1HG2      THR   9  -5.979  14.113  -2.581
   73   3HG2  THR   9          3HG2      THR   9  -5.305  14.574  -1.017
   74    H    ALA  10           HN       ALA  10  -2.516  11.253   0.618
   75    HA   ALA  10           HA       ALA  10  -2.778  13.383   2.496
   76   1HB   ALA  10          3HB       ALA  10  -2.463  10.768   2.804
   77   2HB   ALA  10          2HB       ALA  10  -0.760  11.212   2.927
   78   3HB   ALA  10          1HB       ALA  10  -1.933  11.889   4.057
   79    H    ASP  11           HN       ASP  11  -1.135  14.672   3.500
   80    HA   ASP  11           HA       ASP  11   0.878  15.675   1.688
   81   1HB   ASP  11          2HB       ASP  11   1.610  17.022   3.679
   82   2HB   ASP  11          1HB       ASP  11  -0.111  17.172   3.323
   83    H    SER  12           HN       SER  12   1.009  13.645   4.617
   84    HA   SER  12           HA       SER  12   3.865  13.393   4.690
   85   1HB   SER  12          2HB       SER  12   3.157  11.117   5.866
   86   2HB   SER  12          1HB       SER  12   2.910  12.662   6.672
   87    HG   SER  12           HG       SER  12   0.881  12.137   6.679
   88    H    GLY  13           HN       GLY  13   1.345  11.691   2.921
   89   1HA   GLY  13          2HA       GLY  13   1.636  10.447   0.914
   90   2HA   GLY  13          1HA       GLY  13   3.382  10.516   1.155
   91    H    ILE  14           HN       ILE  14   4.134   8.473   1.365
   92    HA   ILE  14           HA       ILE  14   2.715   6.647   3.254
   93    HB   ILE  14           HB       ILE  14   4.019   5.768   0.663
   94   1HG1  ILE  14          2HG1      ILE  14   1.069   6.082   1.306
   95   2HG1  ILE  14          1HG1      ILE  14   1.989   7.170   0.269
   96   1HG2  ILE  14          1HG2      ILE  14   3.614   4.285   2.858
   97   2HG2  ILE  14          3HG2      ILE  14   1.995   4.173   2.169
   98   3HG2  ILE  14          2HG2      ILE  14   3.389   3.627   1.238
   99   1HD1  ILE  14          1HD1      ILE  14   2.205   4.291  -0.402
  100   2HD1  ILE  14          3HD1      ILE  14   0.621   5.017  -0.670
  101   3HD1  ILE  14          2HD1      ILE  14   2.045   5.686  -1.466
  102   1HN   HIP  15           HN       HIP  15   4.312   7.213   4.841
  103    HA   HIP  15           HA       HIP  15   7.083   6.377   4.187
  104   1HB   HIP  15          1HB       HIP  15   6.740   8.706   5.049
  105   2HB   HIP  15          2HB       HIP  15   7.842   7.748   6.015
  106    HD2  HIP  15          2HD       HIP  15   3.905   8.263   6.335
  107    HE2  HIP  15          2HE       HIP  15   3.490   8.721   8.855
  108    HE1  HIP  15          1HE       HIP  15   5.678   8.720  10.122
  109    H    ALA  16           HN       ALA  16   7.435   6.139   7.309
  110    HA   ALA  16           HA       ALA  16   7.091   3.274   7.327
  111   1HB   ALA  16          3HB       ALA  16   8.191   5.324   9.174
  112   2HB   ALA  16          2HB       ALA  16   7.683   3.794   9.893
  113   3HB   ALA  16          1HB       ALA  16   8.899   3.808   8.616
  114    H    ARG  17           HN       ARG  17   5.359   5.924   9.016
  115    HA   ARG  17           HA       ARG  17   3.791   4.346  10.737
  116   1HB   ARG  17          2HB       ARG  17   3.880   7.022  10.111
  117   2HB   ARG  17          1HB       ARG  17   2.283   6.561   9.524
  118   1HG   ARG  17          2HG       ARG  17   1.634   5.732  11.670
  119   2HG   ARG  17          1HG       ARG  17   3.289   5.821  12.277
  120   1HD   ARG  17          2HD       ARG  17   3.229   8.129  12.506
  121   2HD   ARG  17          1HD       ARG  17   2.004   8.324  11.252
  122    HE   ARG  17           HE       ARG  17   0.507   7.101  13.081
  123   1HH1  ARG  17          HH11      ARG  17   1.214   7.184  15.544
  124   2HH1  ARG  17          HH12      ARG  17   1.330   8.818  16.107
  125   1HH2  ARG  17          HH21      ARG  17   1.427  10.190  12.925
  126   2HH2  ARG  17          HH22      ARG  17   1.451  10.520  14.625
  127    HA   PRO  18           HA       PRO  18   0.468   3.755   7.371
  128   1HB   PRO  18          2HB       PRO  18   1.095   4.400   4.770
  129   2HB   PRO  18          1HB       PRO  18   0.296   5.511   5.896
  130   1HG   PRO  18          2HG       PRO  18   3.128   5.503   4.957
  131   2HG   PRO  18          1HG       PRO  18   2.128   6.862   5.496
  132   1HD   PRO  18          2HD       PRO  18   4.107   5.587   7.031
  133   2HD   PRO  18          1HD       PRO  18   2.843   6.654   7.666
  134    H    ALA  19           HN       ALA  19   3.845   3.223   6.587
  135    HA   ALA  19           HA       ALA  19   3.428   0.904   4.900
  136   1HB   ALA  19          2HB       ALA  19   5.524   2.234   4.857
  137   2HB   ALA  19          1HB       ALA  19   5.874   1.712   6.505
  138   3HB   ALA  19          3HB       ALA  19   5.836   0.532   5.194
  139    H    THR  20           HN       THR  20   3.407   1.448   8.337
  140    HA   THR  20           HA       THR  20   3.897  -1.373   9.003
  141    HB   THR  20           HB       THR  20   2.755   0.571  10.969
  142    HG1  THR  20           HG1      THR  20   4.811   1.471  11.231
  143   1HG2  THR  20          3HG2      THR  20   3.647  -1.956  11.200
  144   2HG2  THR  20          2HG2      THR  20   5.167  -1.098  11.454
  145   3HG2  THR  20          1HG2      THR  20   3.787  -0.780  12.506
  146    H    VAL  21           HN       VAL  21   1.204   0.872   8.677
  147    HA   VAL  21           HA       VAL  21  -0.819  -0.871   9.789
  148    HB   VAL  21           HB       VAL  21  -1.210   1.277   7.712
  149   1HG1  VAL  21          2HG1      VAL  21  -3.084  -0.357   8.428
  150   2HG1  VAL  21          1HG1      VAL  21  -3.056   0.502   9.969
  151   3HG1  VAL  21          3HG1      VAL  21  -3.445   1.369   8.483
  152   1HG2  VAL  21          2HG2      VAL  21  -0.552   1.443  10.621
  153   2HG2  VAL  21          1HG2      VAL  21  -0.137   2.553   9.316
  154   3HG2  VAL  21          3HG2      VAL  21  -1.762   2.565  10.002
  155    H    LEU  22           HN       LEU  22   0.552  -0.347   6.615
  156    HA   LEU  22           HA       LEU  22  -1.351  -2.014   5.200
  157   1HB   LEU  22          2HB       LEU  22   1.377  -0.926   4.473
  158   2HB   LEU  22          1HB       LEU  22   0.307  -1.762   3.343
  159    HG   LEU  22           HG       LEU  22  -0.475   0.719   4.901
  160   1HD1  LEU  22          3HD1      LEU  22   0.897   0.304   2.277
  161   2HD1  LEU  22          2HD1      LEU  22  -0.361   1.543   2.339
  162   3HD1  LEU  22          1HD1      LEU  22   1.032   1.646   3.417
  163   1HD2  LEU  22          1HD2      LEU  22  -1.790  -1.091   2.908
  164   2HD2  LEU  22          3HD2      LEU  22  -2.488  -0.261   4.299
  165   3HD2  LEU  22          2HD2      LEU  22  -2.150   0.634   2.818
  166    H    VAL  23           HN       VAL  23   2.092  -2.454   6.126
  167    HA   VAL  23           HA       VAL  23   2.412  -5.085   5.162
  168    HB   VAL  23           HB       VAL  23   4.279  -3.715   6.021
  169   1HG1  VAL  23          3HG1      VAL  23   2.976  -2.783   7.958
  170   2HG1  VAL  23          2HG1      VAL  23   3.182  -4.331   8.776
  171   3HG1  VAL  23          1HG1      VAL  23   4.591  -3.345   8.387
  172   1HG2  VAL  23          2HG2      VAL  23   4.130  -6.379   6.124
  173   2HG2  VAL  23          1HG2      VAL  23   5.526  -5.517   6.770
  174   3HG2  VAL  23          3HG2      VAL  23   4.256  -6.079   7.857
  175    H    GLN  24           HN       GLN  24   0.711  -3.950   8.003
  176    HA   GLN  24           HA       GLN  24   0.551  -6.530   9.323
  177   1HB   GLN  24          2HB       GLN  24  -0.982  -3.940   9.617
  178   2HB   GLN  24          1HB       GLN  24  -1.361  -5.371  10.574
  179   1HG   GLN  24          2HG       GLN  24   1.484  -4.941  10.643
  180   2HG   GLN  24          1HG       GLN  24   0.672  -3.434  11.061
  181   1HE2  GLN  24          2HE2      GLN  24  -0.120  -4.570  14.285
  182   2HE2  GLN  24          1HE2      GLN  24   0.142  -3.262  13.236
  183    H    THR  25           HN       THR  25  -1.676  -4.645   7.260
  184    HA   THR  25           HA       THR  25  -3.843  -6.500   7.309
  185    HB   THR  25           HB       THR  25  -3.071  -4.739   4.969
  186    HG1  THR  25           HG1      THR  25  -3.605  -3.092   6.141
  187   1HG2  THR  25          3HG2      THR  25  -5.603  -6.042   5.948
  188   2HG2  THR  25          2HG2      THR  25  -5.662  -4.611   4.918
  189   3HG2  THR  25          1HG2      THR  25  -4.892  -6.087   4.335
  190    H    ALA  26           HN       ALA  26  -1.409  -6.061   4.714
  191    HA   ALA  26           HA       ALA  26  -2.116  -8.411   3.273
  192   1HB   ALA  26          2HB       ALA  26   0.517  -6.915   3.424
  193   2HB   ALA  26          1HB       ALA  26   0.155  -8.173   2.241
  194   3HB   ALA  26          3HB       ALA  26  -0.768  -6.670   2.240
  195    H    SER  27           HN       SER  27  -0.119  -7.954   6.118
  196    HA   SER  27           HA       SER  27   1.421 -10.347   6.014
  197   1HB   SER  27          2HB       SER  27   2.035  -8.794   7.692
  198   2HB   SER  27          1HB       SER  27   0.387  -8.655   8.290
  199    HG   SER  27           HG       SER  27   2.087 -10.928   8.455
  200    H    LYS  28           HN       LYS  28  -1.903  -9.753   6.998
  201    HA   LYS  28           HA       LYS  28  -2.307 -12.417   8.103
  202   1HB   LYS  28          2HB       LYS  28  -4.519 -10.597   7.145
  203   2HB   LYS  28          1HB       LYS  28  -4.566 -11.785   8.444
  204   1HG   LYS  28          2HG       LYS  28  -3.065  -9.147   8.460
  205   2HG   LYS  28          1HG       LYS  28  -4.490  -9.549   9.410
  206   1HD   LYS  28          2HD       LYS  28  -2.974 -11.536  10.272
  207   2HD   LYS  28          1HD       LYS  28  -1.661 -10.478   9.756
  208   1HE   LYS  28          2HE       LYS  28  -2.289  -8.764  11.254
  209   2HE   LYS  28          1HE       LYS  28  -3.903  -9.436  11.483
  210   1HZ   LYS  28          2HZ       LYS  28  -1.588 -11.074  12.230
  211   2HZ   LYS  28          1HZ       LYS  28  -2.032  -9.793  13.253
  212   3HZ   LYS  28          3HZ       LYS  28  -3.145 -11.024  12.908
  213    H    TYR  29           HN       TYR  29  -2.564 -10.933   4.940
  214    HA   TYR  29           HA       TYR  29  -4.074 -13.223   3.851
  215   1HB   TYR  29          2HB       TYR  29  -2.944 -10.745   2.502
  216   2HB   TYR  29          1HB       TYR  29  -3.944 -11.966   1.710
  217    HD1  TYR  29          2HD       TYR  29  -6.269 -12.438   2.628
  218    HD2  TYR  29          1HD       TYR  29  -3.936  -9.037   3.821
  219    HE1  TYR  29          2HE       TYR  29  -8.314 -11.346   3.506
  220    HE2  TYR  29          1HE       TYR  29  -5.980  -7.944   4.707
  221    HH   TYR  29           HH       TYR  29  -8.528  -9.247   5.571
  222    H    ASP  30           HN       ASP  30  -3.080 -14.986   3.088
  223    HA   ASP  30           HA       ASP  30  -0.244 -15.316   3.068
  224   1HB   ASP  30          2HB       ASP  30  -2.407 -16.916   1.668
  225   2HB   ASP  30          1HB       ASP  30  -0.733 -17.438   1.854
  226    H    ALA  31           HN       ALA  31  -2.455 -14.091   0.660
  227    HA   ALA  31           HA       ALA  31  -0.945 -14.549  -1.701
  228   1HB   ALA  31          1HB       ALA  31  -2.896 -12.401  -0.880
  229   2HB   ALA  31          3HB       ALA  31  -2.101 -12.351  -2.453
  230   3HB   ALA  31          2HB       ALA  31  -3.129 -13.719  -2.028
  231    H    ASP  32           HN       ASP  32   0.750 -13.428  -2.658
  232    HA   ASP  32           HA       ASP  32   2.299 -11.658  -0.874
  233   1HB   ASP  32          2HB       ASP  32   2.913 -12.860  -3.590
  234   2HB   ASP  32          1HB       ASP  32   4.031 -11.842  -2.681
  235    H    VAL  33           HN       VAL  33   1.299  -9.652  -0.903
  236    HA   VAL  33           HA       VAL  33   0.536  -8.443  -3.486
  237    HB   VAL  33           HB       VAL  33  -0.370  -6.614  -2.093
  238   1HG1  VAL  33          3HG1      VAL  33  -1.235  -9.318  -2.109
  239   2HG1  VAL  33          2HG1      VAL  33  -1.467  -8.742  -0.459
  240   3HG1  VAL  33          1HG1      VAL  33  -2.212  -7.884  -1.808
  241   1HG2  VAL  33          2HG2      VAL  33   1.463  -6.816  -0.342
  242   2HG2  VAL  33          1HG2      VAL  33  -0.166  -6.627   0.306
  243   3HG2  VAL  33          3HG2      VAL  33   0.596  -8.216   0.290
  244    H    ASN  34           HN       ASN  34   1.616  -6.681  -4.414
  245    HA   ASN  34           HA       ASN  34   4.094  -5.749  -3.023
  246   1HB   ASN  34          2HB       ASN  34   3.818  -6.516  -5.944
  247   2HB   ASN  34          1HB       ASN  34   5.244  -5.762  -5.229
  248   1HD2  ASN  34          2HD2      ASN  34   5.001  -9.708  -5.069
  249   2HD2  ASN  34          1HD2      ASN  34   4.191  -8.722  -6.189
  250    H    LEU  35           HN       LEU  35   4.338  -3.562  -3.037
  251    HA   LEU  35           HA       LEU  35   2.302  -1.937  -4.440
  252   1HB   LEU  35          2HB       LEU  35   2.941  -1.514  -2.037
  253   2HB   LEU  35          1HB       LEU  35   4.537  -1.026  -2.603
  254    HG   LEU  35           HG       LEU  35   2.516   0.342  -4.154
  255   1HD1  LEU  35          2HD1      LEU  35   1.450  -0.189  -1.721
  256   2HD1  LEU  35          1HD1      LEU  35   2.334   1.292  -1.348
  257   3HD1  LEU  35          3HD1      LEU  35   1.114   1.289  -2.622
  258   1HD2  LEU  35          2HD2      LEU  35   5.022   0.864  -3.402
  259   2HD2  LEU  35          1HD2      LEU  35   3.891   2.165  -3.769
  260   3HD2  LEU  35          3HD2      LEU  35   4.200   1.711  -2.093
  261    H    GLU  36           HN       GLU  36   2.867  -0.330  -5.995
  262    HA   GLU  36           HA       GLU  36   5.636  -0.584  -7.110
  263   1HB   GLU  36          2HB       GLU  36   3.800  -1.597  -8.520
  264   2HB   GLU  36          1HB       GLU  36   3.111   0.019  -8.675
  265   1HG   GLU  36          2HG       GLU  36   4.794   0.757 -10.054
  266   2HG   GLU  36          1HG       GLU  36   6.009  -0.271  -9.295
  267    H    TYR  37           HN       TYR  37   6.755   1.310  -7.213
  268    HA   TYR  37           HA       TYR  37   5.406   3.859  -7.687
  269   1HB   TYR  37          2HB       TYR  37   5.114   3.460  -5.209
  270   2HB   TYR  37          1HB       TYR  37   6.872   3.503  -5.061
  271    HD1  TYR  37          1HD       TYR  37   4.067   5.491  -6.570
  272    HD2  TYR  37          2HD       TYR  37   7.903   5.552  -4.636
  273    HE1  TYR  37          1HE       TYR  37   4.005   7.969  -6.527
  274    HE2  TYR  37          2HE       TYR  37   7.840   8.031  -4.592
  275    HH   TYR  37           HH       TYR  37   6.766   9.862  -5.736
  276    H    ASN  38           HN       ASN  38   6.826   5.313  -8.597
  277    HA   ASN  38           HA       ASN  38   8.813   6.131  -9.526
  278   1HB   ASN  38          2HB       ASN  38   9.404   5.434  -6.843
  279   2HB   ASN  38          1HB       ASN  38  10.744   4.819  -7.808
  280   1HD2  ASN  38          2HD2      ASN  38  11.792   8.092  -8.876
  281   2HD2  ASN  38          1HD2      ASN  38  11.773   6.461  -9.347
  282    H    GLY  39           HN       GLY  39   7.726   3.663 -10.535
  283   1HA   GLY  39          2HA       GLY  39   8.329   1.928 -11.994
  284   2HA   GLY  39          1HA       GLY  39   9.860   2.778 -12.195
  285    H    LYS  40           HN       LYS  40   8.793   1.692  -9.043
  286    HA   LYS  40           HA       LYS  40  10.864  -0.467  -9.134
  287   1HB   LYS  40          2HB       LYS  40  10.143   1.245  -6.735
  288   2HB   LYS  40          1HB       LYS  40  11.432   0.044  -6.826
  289   1HG   LYS  40          2HG       LYS  40  12.126   1.582  -8.930
  290   2HG   LYS  40          1HG       LYS  40  11.331   2.803  -7.934
  291   1HD   LYS  40          2HD       LYS  40  12.767   2.195  -6.026
  292   2HD   LYS  40          1HD       LYS  40  13.561   0.965  -7.012
  293   1HE   LYS  40          2HE       LYS  40  13.977   2.985  -8.658
  294   2HE   LYS  40          1HE       LYS  40  13.744   3.954  -7.203
  295   1HZ   LYS  40          1HZ       LYS  40  15.583   1.643  -7.236
  296   2HZ   LYS  40          3HZ       LYS  40  16.092   3.179  -7.745
  297   3HZ   LYS  40          2HZ       LYS  40  15.542   2.951  -6.153
  298    H    THR  41           HN       THR  41  10.430  -2.136  -7.329
  299    HA   THR  41           HA       THR  41   7.538  -2.383  -6.694
  300    HB   THR  41           HB       THR  41   9.142  -4.614  -7.975
  301    HG1  THR  41           HG1      THR  41   7.149  -2.882  -9.006
  302   1HG2  THR  41          2HG2      THR  41   6.469  -4.386  -6.710
  303   2HG2  THR  41          1HG2      THR  41   6.525  -5.274  -8.233
  304   3HG2  THR  41          3HG2      THR  41   7.524  -5.791  -6.874
  305    H    VAL  42           HN       VAL  42   7.759  -2.329  -4.491
  306    HA   VAL  42           HA       VAL  42   9.743  -4.193  -3.253
  307    HB   VAL  42           HB       VAL  42   9.062  -2.823  -1.118
  308   1HG1  VAL  42          3HG1      VAL  42  11.207  -2.779  -2.801
  309   2HG1  VAL  42          2HG1      VAL  42  10.698  -1.091  -2.849
  310   3HG1  VAL  42          1HG1      VAL  42  11.089  -1.853  -1.305
  311   1HG2  VAL  42          1HG2      VAL  42   7.247  -1.570  -2.356
  312   2HG2  VAL  42          3HG2      VAL  42   8.406  -0.535  -1.521
  313   3HG2  VAL  42          2HG2      VAL  42   8.518  -0.755  -3.268
  314    H    ASN  43           HN       ASN  43   9.025  -5.652  -1.678
  315    HA   ASN  43           HA       ASN  43   6.287  -6.566  -1.922
  316   1HB   ASN  43          2HB       ASN  43   8.367  -7.960  -1.293
  317   2HB   ASN  43          1HB       ASN  43   8.194  -7.270   0.323
  318   1HD2  ASN  43          2HD2      ASN  43   6.177 -10.499  -0.106
  319   2HD2  ASN  43          1HD2      ASN  43   7.769 -10.125  -0.560
  320    H    LEU  44           HN       LEU  44   4.562  -6.197  -0.443
  321    HA   LEU  44           HA       LEU  44   4.658  -3.745   1.028
  322   1HB   LEU  44          2HB       LEU  44   2.566  -4.882   0.148
  323   2HB   LEU  44          1HB       LEU  44   2.671  -5.950   1.553
  324    HG   LEU  44           HG       LEU  44   2.969  -3.655   2.849
  325   1HD1  LEU  44          2HD1      LEU  44   1.539  -2.882   0.311
  326   2HD1  LEU  44          1HD1      LEU  44   1.512  -1.913   1.787
  327   3HD1  LEU  44          3HD1      LEU  44   3.040  -2.208   0.955
  328   1HD2  LEU  44          1HD2      LEU  44   0.615  -5.214   2.016
  329   2HD2  LEU  44          3HD2      LEU  44   1.161  -4.748   3.626
  330   3HD2  LEU  44          2HD2      LEU  44   0.265  -3.599   2.630
  331    H    LYS  45           HN       LYS  45   5.838  -6.854   1.863
  332    HA   LYS  45           HA       LYS  45   5.596  -6.374   4.762
  333   1HB   LYS  45          2HB       LYS  45   6.947  -8.576   3.162
  334   2HB   LYS  45          1HB       LYS  45   6.886  -8.523   4.925
  335   1HG   LYS  45          2HG       LYS  45   4.652  -9.047   5.002
  336   2HG   LYS  45          1HG       LYS  45   4.296  -8.209   3.492
  337   1HD   LYS  45          2HD       LYS  45   5.787 -10.139   2.452
  338   2HD   LYS  45          1HD       LYS  45   5.309 -10.994   3.920
  339   1HE   LYS  45          2HE       LYS  45   2.932 -10.550   3.401
  340   2HE   LYS  45          1HE       LYS  45   3.415  -9.716   1.924
  341   1HZ   LYS  45          2HZ       LYS  45   4.579 -11.837   1.302
  342   2HZ   LYS  45          1HZ       LYS  45   3.758 -12.581   2.591
  343   3HZ   LYS  45          3HZ       LYS  45   2.881 -11.907   1.305
  344    H    SER  46           HN       SER  46   6.906  -4.257   3.582
  345    HA   SER  46           HA       SER  46   9.620  -4.540   4.723
  346   1HB   SER  46          2HB       SER  46   9.816  -5.162   2.286
  347   2HB   SER  46          1HB       SER  46   9.234  -3.551   1.871
  348    HG   SER  46           HG       SER  46  11.608  -3.927   2.033
  349    H    ILE  47           HN       ILE  47   8.610  -3.071   6.257
  350    HA   ILE  47           HA       ILE  47   7.482  -0.547   5.528
  351    HB   ILE  47           HB       ILE  47   8.931  -1.233   8.099
  352   1HG1  ILE  47          2HG1      ILE  47   6.045  -1.667   7.242
  353   2HG1  ILE  47          1HG1      ILE  47   7.221  -2.920   7.617
  354   1HG2  ILE  47          3HG2      ILE  47   8.055   1.204   7.284
  355   2HG2  ILE  47          2HG2      ILE  47   6.567   0.572   7.989
  356   3HG2  ILE  47          1HG2      ILE  47   8.027   0.691   8.971
  357   1HD1  ILE  47          1HD1      ILE  47   7.392  -1.675   9.929
  358   2HD1  ILE  47          3HD1      ILE  47   5.807  -1.045   9.484
  359   3HD1  ILE  47          2HD1      ILE  47   6.055  -2.785   9.629
  360    H    MET  48           HN       MET  48  10.808  -1.516   6.341
  361    HA   MET  48           HA       MET  48  11.892   1.156   6.178
  362   1HB   MET  48          2HB       MET  48  12.977  -0.797   7.355
  363   2HB   MET  48          1HB       MET  48  13.358  -1.465   5.766
  364   1HG   MET  48          2HG       MET  48  15.303  -0.273   6.241
  365   2HG   MET  48          1HG       MET  48  14.378   0.917   5.327
  366   1HE   MET  48          1HE       MET  48  16.445   0.148   7.845
  367   2HE   MET  48          3HE       MET  48  16.808   1.873   7.701
  368   3HE   MET  48          2HE       MET  48  16.240   1.214   9.232
  369    H    GLY  49           HN       GLY  49  11.261  -1.397   3.850
  370   1HA   GLY  49          2HA       GLY  49  12.884  -0.312   1.719
  371   2HA   GLY  49          1HA       GLY  49  11.582  -1.486   1.522
  372    H    VAL  50           HN       VAL  50   9.618   0.285   2.876
  373    HA   VAL  50           HA       VAL  50   8.859   1.848   0.514
  374    HB   VAL  50           HB       VAL  50   7.516   1.696   3.231
  375   1HG1  VAL  50          1HG1      VAL  50   6.841   2.912   0.588
  376   2HG1  VAL  50          3HG1      VAL  50   5.529   2.163   1.498
  377   3HG1  VAL  50          2HG1      VAL  50   6.461   3.479   2.214
  378   1HG2  VAL  50          3HG2      VAL  50   7.680  -0.211   0.995
  379   2HG2  VAL  50          2HG2      VAL  50   7.124  -0.465   2.648
  380   3HG2  VAL  50          1HG2      VAL  50   6.022   0.193   1.441
  381    H    VAL  51           HN       VAL  51  10.186   2.445   3.715
  382    HA   VAL  51           HA       VAL  51   9.759   5.303   3.713
  383    HB   VAL  51           HB       VAL  51  11.869   3.700   5.195
  384   1HG1  VAL  51          1HG1      VAL  51  10.762   6.494   5.451
  385   2HG1  VAL  51          3HG1      VAL  51  11.475   5.670   6.839
  386   3HG1  VAL  51          2HG1      VAL  51  12.448   5.977   5.400
  387   1HG2  VAL  51          3HG2      VAL  51   9.194   3.279   5.390
  388   2HG2  VAL  51          2HG2      VAL  51  10.294   3.122   6.759
  389   3HG2  VAL  51          1HG2      VAL  51   9.375   4.610   6.533
  390    H    SER  52           HN       SER  52  12.276   3.181   2.469
  391    HA   SER  52           HA       SER  52  14.283   5.171   2.006
  392   1HB   SER  52          2HB       SER  52  14.893   3.456   0.087
  393   2HB   SER  52          1HB       SER  52  15.116   3.014   1.777
  394    HG   SER  52           HG       SER  52  13.978   1.389   0.724
  395    H    LEU  53           HN       LEU  53  11.512   4.072   0.087
  396    HA   LEU  53           HA       LEU  53  12.142   5.471  -2.325
  397   1HB   LEU  53          2HB       LEU  53   9.415   4.816  -1.165
  398   2HB   LEU  53          1HB       LEU  53   9.740   5.254  -2.841
  399    HG   LEU  53           HG       LEU  53  11.073   2.899  -1.490
  400   1HD1  LEU  53          2HD1      LEU  53   8.454   3.082  -2.984
  401   2HD1  LEU  53          1HD1      LEU  53   9.370   1.578  -2.901
  402   3HD1  LEU  53          3HD1      LEU  53   8.769   2.328  -1.422
  403   1HD2  LEU  53          2HD2      LEU  53  10.732   3.848  -4.346
  404   2HD2  LEU  53          1HD2      LEU  53  12.239   3.619  -3.459
  405   3HD2  LEU  53          3HD2      LEU  53  11.279   2.220  -3.942
  406    H    GLY  54           HN       GLY  54  10.185   6.440   0.502
  407   1HA   GLY  54          2HA       GLY  54   9.771   8.599   1.346
  408   2HA   GLY  54          1HA       GLY  54  10.933   9.226   0.176
  409    H    ILE  55           HN       ILE  55   7.626   7.883   0.331
  410    HA   ILE  55           HA       ILE  55   6.901   9.208  -2.192
  411    HB   ILE  55           HB       ILE  55   5.119   7.761  -0.208
  412   1HG1  ILE  55          2HG1      ILE  55   6.475   6.688  -2.700
  413   2HG1  ILE  55          1HG1      ILE  55   7.023   6.367  -1.056
  414   1HG2  ILE  55          2HG2      ILE  55   4.807   8.776  -3.024
  415   2HG2  ILE  55          1HG2      ILE  55   3.868   7.388  -2.476
  416   3HG2  ILE  55          3HG2      ILE  55   3.704   8.941  -1.658
  417   1HD1  ILE  55          1HD1      ILE  55   4.151   5.844  -1.584
  418   2HD1  ILE  55          3HD1      ILE  55   5.291   4.755  -2.374
  419   3HD1  ILE  55          2HD1      ILE  55   5.304   4.923  -0.618
  420    H    ALA  56           HN       ALA  56   5.005  10.697  -2.253
  421    HA   ALA  56           HA       ALA  56   4.447  12.159   0.257
  422   1HB   ALA  56          1HB       ALA  56   6.152  13.150  -1.947
  423   2HB   ALA  56          3HB       ALA  56   4.909  14.278  -1.401
  424   3HB   ALA  56          2HB       ALA  56   6.094  13.650  -0.257
  425    H    LYS  57           HN       LYS  57   3.009  14.237  -0.613
  426    HA   LYS  57           HA       LYS  57   0.571  13.080  -1.555
  427   1HB   LYS  57          2HB       LYS  57  -0.220  15.427  -1.748
  428   2HB   LYS  57          1HB       LYS  57   0.599  15.136  -0.214
  429   1HG   LYS  57          2HG       LYS  57   2.663  16.129  -1.101
  430   2HG   LYS  57          1HG       LYS  57   1.887  16.376  -2.665
  431   1HD   LYS  57          2HD       LYS  57   0.930  17.593  -0.057
  432   2HD   LYS  57          1HD       LYS  57   1.899  18.441  -1.262
  433   1HE   LYS  57          2HE       LYS  57  -0.004  18.998  -2.329
  434   2HE   LYS  57          1HE       LYS  57  -0.272  17.290  -2.674
  435   1HZ   LYS  57          1HZ       LYS  57  -1.019  18.499  -0.080
  436   2HZ   LYS  57          3HZ       LYS  57  -2.075  18.508  -1.407
  437   3HZ   LYS  57          2HZ       LYS  57  -1.549  17.032  -0.751
  438    H    GLY  58           HN       GLY  58  -0.474  13.300  -3.596
  439   1HA   GLY  58          2HA       GLY  58  -0.613  13.533  -5.932
  440   2HA   GLY  58          1HA       GLY  58   0.807  14.579  -5.859
  441    H    ALA  59           HN       ALA  59   0.042  11.120  -5.304
  442    HA   ALA  59           HA       ALA  59   2.270  10.412  -7.137
  443   1HB   ALA  59          1HB       ALA  59   2.194   9.951  -4.212
  444   2HB   ALA  59          3HB       ALA  59   2.650   8.549  -5.181
  445   3HB   ALA  59          2HB       ALA  59   3.577  10.043  -5.302
  446    H    GLU  60           HN       GLU  60   2.194   8.036  -7.673
  447    HA   GLU  60           HA       GLU  60  -0.582   6.946  -7.418
  448   1HB   GLU  60          2HB       GLU  60   1.149   7.327  -9.828
  449   2HB   GLU  60          1HB       GLU  60   0.131   5.888  -9.764
  450   1HG   GLU  60          2HG       GLU  60  -1.413   7.324 -10.673
  451   2HG   GLU  60          1HG       GLU  60  -1.677   7.725  -8.975
  452    H    ILE  61           HN       ILE  61  -0.561   4.997  -6.428
  453    HA   ILE  61           HA       ILE  61   1.942   3.363  -6.580
  454    HB   ILE  61           HB       ILE  61   1.195   2.411  -4.364
  455   1HG1  ILE  61          2HG1      ILE  61  -0.764   4.734  -4.475
  456   2HG1  ILE  61          1HG1      ILE  61  -1.205   3.034  -4.605
  457   1HG2  ILE  61          1HG2      ILE  61   2.079   5.197  -4.884
  458   2HG2  ILE  61          3HG2      ILE  61   1.519   4.868  -3.245
  459   3HG2  ILE  61          2HG2      ILE  61   2.847   3.931  -3.926
  460   1HD1  ILE  61          2HD1      ILE  61   0.334   3.097  -2.298
  461   2HD1  ILE  61          1HD1      ILE  61  -0.565   4.614  -2.221
  462   3HD1  ILE  61          3HD1      ILE  61  -1.429   3.082  -2.353
  463    H    THR  62           HN       THR  62   1.715   1.353  -7.450
  464    HA   THR  62           HA       THR  62  -1.062   0.396  -7.992
  465    HB   THR  62           HB       THR  62   1.308  -0.777  -9.383
  466    HG1  THR  62           HG1      THR  62   1.838   1.279  -9.736
  467   1HG2  THR  62          2HG2      THR  62  -1.356  -1.167  -9.595
  468   2HG2  THR  62          1HG2      THR  62  -1.155   0.134 -10.769
  469   3HG2  THR  62          3HG2      THR  62  -0.249  -1.368 -10.953
  470    H    ILE  63           HN       ILE  63  -1.683  -1.173  -6.609
  471    HA   ILE  63           HA       ILE  63   0.385  -2.967  -5.434
  472    HB   ILE  63           HB       ILE  63  -2.507  -2.505  -4.630
  473   1HG1  ILE  63          2HG1      ILE  63   0.072  -1.615  -3.300
  474   2HG1  ILE  63          1HG1      ILE  63  -0.956  -0.566  -4.277
  475   1HG2  ILE  63          3HG2      ILE  63  -0.321  -4.300  -3.616
  476   2HG2  ILE  63          2HG2      ILE  63  -1.487  -3.633  -2.474
  477   3HG2  ILE  63          1HG2      ILE  63  -2.041  -4.639  -3.813
  478   1HD1  ILE  63          2HD1      ILE  63  -2.856  -1.370  -2.659
  479   2HD1  ILE  63          1HD1      ILE  63  -1.518  -1.796  -1.592
  480   3HD1  ILE  63          3HD1      ILE  63  -1.731  -0.125  -2.115
  481    H    SER  64           HN       SER  64   0.101  -5.254  -5.546
  482    HA   SER  64           HA       SER  64  -2.091  -6.295  -7.243
  483   1HB   SER  64          2HB       SER  64  -0.346  -7.606  -8.572
  484   2HB   SER  64          1HB       SER  64  -0.449  -5.884  -8.927
  485    HG   SER  64           HG       SER  64   1.337  -5.549  -7.609
  486    H    ALA  65           HN       ALA  65  -2.911  -7.782  -5.843
  487    HA   ALA  65           HA       ALA  65  -1.109  -9.343  -4.094
  488   1HB   ALA  65          1HB       ALA  65  -3.371  -8.358  -3.365
  489   2HB   ALA  65          3HB       ALA  65  -4.111  -9.635  -4.331
  490   3HB   ALA  65          2HB       ALA  65  -3.082 -10.051  -2.961
  491    H    SER  66           HN       SER  66  -0.499 -11.422  -4.572
  492    HA   SER  66           HA       SER  66  -2.022 -12.885  -6.681
  493   1HB   SER  66          2HB       SER  66   0.907 -13.294  -6.608
  494   2HB   SER  66          1HB       SER  66  -0.186 -13.267  -7.983
  495    HG   SER  66           HG       SER  66  -0.317 -10.964  -7.641
  496    H    GLY  67           HN       GLY  67  -2.890 -14.539  -5.506
  497   1HA   GLY  67          2HA       GLY  67  -1.338 -16.695  -4.557
  498   2HA   GLY  67          1HA       GLY  67  -1.690 -15.678  -3.161
  499    H    ALA  68           HN       ALA  68  -3.118 -17.127  -2.158
  500    HA   ALA  68           HA       ALA  68  -5.370 -18.283  -3.624
  501   1HB   ALA  68          3HB       ALA  68  -4.233 -19.403  -1.671
  502   2HB   ALA  68          2HB       ALA  68  -4.933 -18.166  -0.627
  503   3HB   ALA  68          1HB       ALA  68  -5.984 -19.277  -1.505
  504    H    ASP  69           HN       ASP  69  -5.271 -16.166  -0.732
  505    HA   ASP  69           HA       ASP  69  -7.924 -15.086  -1.508
  506   1HB   ASP  69          2HB       ASP  69  -7.838 -14.020   0.761
  507   2HB   ASP  69          1HB       ASP  69  -7.698 -15.776   0.816
  508    H    GLU  70           HN       GLU  70  -5.860 -14.300  -3.213
  509    HA   GLU  70           HA       GLU  70  -4.568 -11.855  -2.516
  510   1HB   GLU  70          2HB       GLU  70  -4.357 -11.518  -4.973
  511   2HB   GLU  70          1HB       GLU  70  -3.892 -13.145  -4.481
  512   1HG   GLU  70          2HG       GLU  70  -6.087 -14.008  -5.150
  513   2HG   GLU  70          1HG       GLU  70  -6.618 -12.378  -5.570
  514    H    ASN  71           HN       ASN  71  -7.812 -12.543  -3.709
  515    HA   ASN  71           HA       ASN  71  -8.485  -9.803  -4.349
  516   1HB   ASN  71          2HB       ASN  71 -10.045 -12.338  -3.919
  517   2HB   ASN  71          1HB       ASN  71 -10.893 -10.795  -4.030
  518   1HD2  ASN  71          2HD2      ASN  71  -9.281 -12.457  -7.376
  519   2HD2  ASN  71          1HD2      ASN  71  -9.074 -13.186  -5.858
  520    H    ASP  72           HN       ASP  72  -8.676 -11.789  -1.444
  521    HA   ASP  72           HA       ASP  72 -10.266  -9.871   0.057
  522   1HB   ASP  72          2HB       ASP  72  -8.541 -12.171   1.023
  523   2HB   ASP  72          1HB       ASP  72  -9.727 -11.298   1.994
  524    H    ALA  73           HN       ALA  73  -6.864 -10.297  -0.605
  525    HA   ALA  73           HA       ALA  73  -5.985  -8.666   1.652
  526   1HB   ALA  73          3HB       ALA  73  -4.606 -10.487   0.534
  527   2HB   ALA  73          2HB       ALA  73  -4.392  -9.373  -0.818
  528   3HB   ALA  73          1HB       ALA  73  -3.777  -8.949   0.780
  529    H    LEU  74           HN       LEU  74  -6.419  -8.150  -1.862
  530    HA   LEU  74           HA       LEU  74  -5.349  -5.498  -1.869
  531   1HB   LEU  74          2HB       LEU  74  -6.392  -5.230  -4.045
  532   2HB   LEU  74          1HB       LEU  74  -5.713  -6.848  -3.927
  533    HG   LEU  74           HG       LEU  74  -8.143  -7.458  -3.078
  534   1HD1  LEU  74          2HD1      LEU  74  -8.476  -4.735  -3.668
  535   2HD1  LEU  74          1HD1      LEU  74  -9.193  -5.571  -5.045
  536   3HD1  LEU  74          3HD1      LEU  74  -9.763  -5.912  -3.412
  537   1HD2  LEU  74          3HD2      LEU  74  -7.448  -6.909  -5.980
  538   2HD2  LEU  74          2HD2      LEU  74  -7.050  -8.375  -5.082
  539   3HD2  LEU  74          1HD2      LEU  74  -8.735  -7.982  -5.428
  540    H    ASN  75           HN       ASN  75  -8.697  -6.663  -1.387
  541    HA   ASN  75           HA       ASN  75  -9.706  -3.938  -1.150
  542   1HB   ASN  75          2HB       ASN  75 -11.820  -4.995  -0.416
  543   2HB   ASN  75          1HB       ASN  75 -11.218  -5.699  -1.912
  544   1HD2  ASN  75          2HD2      ASN  75 -11.881  -8.776  -0.240
  545   2HD2  ASN  75          1HD2      ASN  75 -12.466  -7.677  -1.393
  546    H    ALA  76           HN       ALA  76  -8.198  -6.193   1.014
  547    HA   ALA  76           HA       ALA  76  -9.264  -5.154   3.483
  548   1HB   ALA  76          2HB       ALA  76  -7.998  -7.335   3.201
  549   2HB   ALA  76          1HB       ALA  76  -6.524  -6.378   3.056
  550   3HB   ALA  76          3HB       ALA  76  -7.459  -6.340   4.552
  551    H    LEU  77           HN       LEU  77  -6.115  -4.592   1.857
  552    HA   LEU  77           HA       LEU  77  -5.350  -2.416   3.556
  553   1HB   LEU  77          2HB       LEU  77  -4.505  -2.870   0.684
  554   2HB   LEU  77          1HB       LEU  77  -3.627  -1.967   1.917
  555    HG   LEU  77           HG       LEU  77  -4.204  -4.601   2.941
  556   1HD1  LEU  77          1HD1      LEU  77  -4.148  -4.831   0.264
  557   2HD1  LEU  77          3HD1      LEU  77  -2.412  -4.875   0.581
  558   3HD1  LEU  77          2HD1      LEU  77  -3.476  -6.063   1.335
  559   1HD2  LEU  77          1HD2      LEU  77  -1.625  -3.248   2.090
  560   2HD2  LEU  77          3HD2      LEU  77  -2.366  -3.154   3.688
  561   3HD2  LEU  77          2HD2      LEU  77  -1.729  -4.690   3.100
  562    H    GLU  78           HN       GLU  78  -7.378  -2.606   0.692
  563    HA   GLU  78           HA       GLU  78  -7.356   0.132  -0.083
  564   1HB   GLU  78          2HB       GLU  78  -8.388  -1.658  -1.439
  565   2HB   GLU  78          1HB       GLU  78  -9.641  -1.862  -0.220
  566   1HG   GLU  78          2HG       GLU  78  -9.390   0.929  -1.047
  567   2HG   GLU  78          1HG       GLU  78  -9.735  -0.128  -2.415
  568    H    GLU  79           HN       GLU  79  -9.689  -1.555   2.070
  569    HA   GLU  79           HA       GLU  79 -11.091   0.806   2.851
  570   1HB   GLU  79          2HB       GLU  79 -11.855  -0.570   4.795
  571   2HB   GLU  79          1HB       GLU  79 -12.029  -1.407   3.253
  572   1HG   GLU  79          2HG       GLU  79 -10.150  -2.784   3.652
  573   2HG   GLU  79          1HG       GLU  79  -9.557  -1.744   4.948
  574    H    THR  80           HN       THR  80  -8.056  -0.575   3.928
  575    HA   THR  80           HA       THR  80  -7.850   0.874   6.413
  576    HB   THR  80           HB       THR  80  -5.440   0.153   4.769
  577    HG1  THR  80           HG1      THR  80  -7.075  -1.679   6.187
  578   1HG2  THR  80          1HG2      THR  80  -6.213   0.340   7.656
  579   2HG2  THR  80          3HG2      THR  80  -4.915  -0.761   7.194
  580   3HG2  THR  80          2HG2      THR  80  -4.778   0.961   6.840
  581    H    MET  81           HN       MET  81  -7.070   1.599   3.062
  582    HA   MET  81           HA       MET  81  -5.618   4.044   3.593
  583   1HB   MET  81          2HB       MET  81  -6.769   2.673   1.211
  584   2HB   MET  81          1HB       MET  81  -6.502   4.409   1.073
  585   1HG   MET  81          2HG       MET  81  -4.200   3.208   2.331
  586   2HG   MET  81          1HG       MET  81  -4.574   2.314   0.861
  587   1HE   MET  81          2HE       MET  81  -2.006   3.232   0.546
  588   2HE   MET  81          1HE       MET  81  -1.607   4.918   0.225
  589   3HE   MET  81          3HE       MET  81  -2.090   4.412   1.851
  590    H    LYS  82           HN       LYS  82  -8.999   3.195   3.226
  591    HA   LYS  82           HA       LYS  82  -9.893   5.964   2.929
  592   1HB   LYS  82          2HB       LYS  82 -11.322   3.332   3.359
  593   2HB   LYS  82          1HB       LYS  82 -12.175   4.875   3.293
  594   1HG   LYS  82          2HG       LYS  82 -10.260   4.040   1.115
  595   2HG   LYS  82          1HG       LYS  82 -11.955   3.555   1.085
  596   1HD   LYS  82          2HD       LYS  82 -11.584   6.417   1.652
  597   2HD   LYS  82          1HD       LYS  82 -10.951   5.933   0.079
  598   1HE   LYS  82          2HE       LYS  82 -13.292   6.569  -0.166
  599   2HE   LYS  82          1HE       LYS  82 -13.135   4.831  -0.419
  600   1HZ   LYS  82          1HZ       LYS  82 -13.671   4.612   2.021
  601   2HZ   LYS  82          3HZ       LYS  82 -14.135   6.242   1.983
  602   3HZ   LYS  82          2HZ       LYS  82 -14.948   5.105   1.016
  603    H    SER  83           HN       SER  83  -9.308   3.739   5.566
  604    HA   SER  83           HA       SER  83 -10.940   5.117   7.522
  605   1HB   SER  83          2HB       SER  83  -9.443   3.834   9.157
  606   2HB   SER  83          1HB       SER  83 -10.378   2.860   8.026
  607    HG   SER  83           HG       SER  83  -7.717   3.031   8.330
  608    H    GLU  84           HN       GLU  84  -7.374   4.972   7.130
  609    HA   GLU  84           HA       GLU  84  -6.982   7.255   8.889
  610   1HB   GLU  84          2HB       GLU  84  -5.240   5.506   7.201
  611   2HB   GLU  84          1HB       GLU  84  -4.607   7.079   7.689
  612   1HG   GLU  84          2HG       GLU  84  -4.886   6.568  10.014
  613   2HG   GLU  84          1HG       GLU  84  -5.825   5.121   9.648
  614    H    GLY  85           HN       GLY  85  -6.933   6.737   5.372
  615   1HA   GLY  85          2HA       GLY  85  -7.720   8.461   3.839
  616   2HA   GLY  85          1HA       GLY  85  -7.254   9.679   5.026
  617    H    LEU  86           HN       LEU  86  -5.397   6.907   3.780
  618    HA   LEU  86           HA       LEU  86  -3.072   8.637   3.352
  619   1HB   LEU  86          2HB       LEU  86  -3.534   5.693   2.797
  620   2HB   LEU  86          1HB       LEU  86  -1.987   6.518   2.599
  621    HG   LEU  86           HG       LEU  86  -3.550   6.385   5.196
  622   1HD1  LEU  86          2HD1      LEU  86  -1.124   4.860   4.211
  623   2HD1  LEU  86          1HD1      LEU  86  -1.663   4.878   5.890
  624   3HD1  LEU  86          3HD1      LEU  86  -2.696   4.186   4.640
  625   1HD2  LEU  86          3HD2      LEU  86  -0.901   7.582   4.370
  626   2HD2  LEU  86          2HD2      LEU  86  -2.216   8.342   5.267
  627   3HD2  LEU  86          1HD2      LEU  86  -1.207   7.121   6.044
  628    H    GLY  87           HN       GLY  87  -5.420   6.878   1.356
  629   1HA   GLY  87          2HA       GLY  87  -5.074   8.699  -0.859
  630   2HA   GLY  87          1HA       GLY  87  -4.275   7.160  -1.182
  631    H    GLU  88           HN       GLU  88  -6.663   8.326  -2.489
  632    HA   GLU  88           HA       GLU  88  -8.452   5.982  -2.117
  633   1HB   GLU  88          2HB       GLU  88 -10.434   7.588  -2.347
  634   2HB   GLU  88          1HB       GLU  88  -9.598   7.605  -0.796
  635   1HG   GLU  88          2HG       GLU  88  -8.753   9.712  -1.120
  636   2HG   GLU  88          1HG       GLU  88  -8.567   9.484  -2.858
   
  No H/Q in entry =         636
  Start of MODEL   20
    1   1H    ALA   2          1HT       ALA   2  -4.672 -10.129 -10.175
    2   2H    ALA   2          3HT       ALA   2  -6.030 -11.145 -10.174
    3   3H    ALA   2          2HT       ALA   2  -6.141  -9.581 -10.830
    4    HA   ALA   2           HA       ALA   2  -7.125  -9.277  -8.789
    5   1HB   ALA   2          1HB       ALA   2  -6.379 -11.656  -8.105
    6   2HB   ALA   2          3HB       ALA   2  -4.947 -10.871  -7.437
    7   3HB   ALA   2          2HB       ALA   2  -6.548 -10.459  -6.821
    8    H    GLN   3           HN       GLN   3  -6.459  -7.128  -9.090
    9    HA   GLN   3           HA       GLN   3  -4.299  -6.221  -7.341
   10   1HB   GLN   3          2HB       GLN   3  -3.138  -4.966  -9.201
   11   2HB   GLN   3          1HB       GLN   3  -2.943  -6.716  -9.279
   12   1HG   GLN   3          2HG       GLN   3  -4.907  -6.775 -10.868
   13   2HG   GLN   3          1HG       GLN   3  -4.844  -5.012 -10.907
   14   1HE2  GLN   3          2HE2      GLN   3  -2.329  -5.031 -13.355
   15   2HE2  GLN   3          1HE2      GLN   3  -3.660  -4.246 -12.654
   16    H    LYS   4           HN       LYS   4  -4.365  -3.886  -7.056
   17    HA   LYS   4           HA       LYS   4  -6.684  -2.512  -8.325
   18   1HB   LYS   4          2HB       LYS   4  -6.332  -3.170  -5.446
   19   2HB   LYS   4          1HB       LYS   4  -6.905  -1.542  -5.812
   20   1HG   LYS   4          2HG       LYS   4  -8.476  -2.955  -7.496
   21   2HG   LYS   4          1HG       LYS   4  -8.249  -4.160  -6.229
   22   1HD   LYS   4          2HD       LYS   4 -10.064  -3.044  -5.347
   23   2HD   LYS   4          1HD       LYS   4  -8.771  -2.059  -4.662
   24   1HE   LYS   4          2HE       LYS   4  -9.027  -0.793  -7.009
   25   2HE   LYS   4          1HE       LYS   4 -10.667  -1.426  -6.874
   26   1HZ   LYS   4          2HZ       LYS   4 -10.681  -0.483  -4.570
   27   2HZ   LYS   4          1HZ       LYS   4  -9.236   0.323  -4.959
   28   3HZ   LYS   4          3HZ       LYS   4 -10.656   0.667  -5.821
   29    H    THR   5           HN       THR   5  -6.431  -0.249  -8.464
   30    HA   THR   5           HA       THR   5  -3.646   0.697  -8.016
   31    HB   THR   5           HB       THR   5  -5.851   2.088  -9.555
   32    HG1  THR   5           HG1      THR   5  -5.573   0.205 -10.612
   33   1HG2  THR   5          2HG2      THR   5  -3.517   3.110  -8.720
   34   2HG2  THR   5          1HG2      THR   5  -2.951   2.315 -10.189
   35   3HG2  THR   5          3HG2      THR   5  -4.221   3.535 -10.280
   36    H    PHE   6           HN       PHE   6  -3.238   2.591  -6.808
   37    HA   PHE   6           HA       PHE   6  -5.554   3.836  -5.410
   38   1HB   PHE   6          2HB       PHE   6  -3.046   2.756  -4.090
   39   2HB   PHE   6          1HB       PHE   6  -4.236   3.775  -3.280
   40    HD1  PHE   6          1HD       PHE   6  -3.750   0.511  -4.998
   41    HD2  PHE   6          2HD       PHE   6  -6.300   2.885  -2.485
   42    HE1  PHE   6          1HE       PHE   6  -5.145  -1.485  -4.528
   43    HE2  PHE   6          2HE       PHE   6  -7.692   0.890  -2.017
   44    HZ   PHE   6           HZ       PHE   6  -7.117  -1.296  -3.036
   45    H    LYS   7           HN       LYS   7  -4.933   5.934  -4.398
   46    HA   LYS   7           HA       LYS   7  -2.595   7.184  -5.785
   47   1HB   LYS   7          2HB       LYS   7  -5.242   7.797  -6.253
   48   2HB   LYS   7          1HB       LYS   7  -4.805   8.992  -5.031
   49   1HG   LYS   7          2HG       LYS   7  -4.328   9.916  -7.231
   50   2HG   LYS   7          1HG       LYS   7  -2.800   9.589  -6.413
   51   1HD   LYS   7          2HD       LYS   7  -2.237   7.895  -7.844
   52   2HD   LYS   7          1HD       LYS   7  -3.908   7.359  -8.032
   53   1HE   LYS   7          2HE       LYS   7  -4.174   9.675  -9.284
   54   2HE   LYS   7          1HE       LYS   7  -2.432   9.515  -9.502
   55   1HZ   LYS   7          2HZ       LYS   7  -3.040   7.137 -10.252
   56   2HZ   LYS   7          1HZ       LYS   7  -4.593   7.782 -10.496
   57   3HZ   LYS   7          3HZ       LYS   7  -3.266   8.427 -11.333
   58    H    VAL   8           HN       VAL   8  -1.260   8.418  -4.485
   59    HA   VAL   8           HA       VAL   8  -1.728   8.251  -1.579
   60    HB   VAL   8           HB       VAL   8   0.616   9.527  -3.013
   61   1HG1  VAL   8          3HG1      VAL   8   0.191   8.392  -0.235
   62   2HG1  VAL   8          2HG1      VAL   8   1.762   8.882  -0.868
   63   3HG1  VAL   8          1HG1      VAL   8   0.483  10.079  -0.656
   64   1HG2  VAL   8          2HG2      VAL   8   0.075   6.640  -2.273
   65   2HG2  VAL   8          1HG2      VAL   8   0.545   7.285  -3.847
   66   3HG2  VAL   8          3HG2      VAL   8   1.709   7.257  -2.521
   67    H    THR   9           HN       THR   9  -2.798   9.851  -0.549
   68    HA   THR   9           HA       THR   9  -2.481  12.643  -1.569
   69    HB   THR   9           HB       THR   9  -5.026  11.616  -0.309
   70    HG1  THR   9           HG1      THR   9  -4.454  11.836  -3.075
   71   1HG2  THR   9          1HG2      THR   9  -4.173  14.156  -0.825
   72   2HG2  THR   9          3HG2      THR   9  -4.999  13.771  -2.334
   73   3HG2  THR   9          2HG2      THR   9  -5.869  13.673  -0.803
   74    H    ALA  10           HN       ALA  10  -1.576  10.753   0.894
   75    HA   ALA  10           HA       ALA  10  -2.494  12.302   3.176
   76   1HB   ALA  10          3HB       ALA  10  -1.655   9.812   3.065
   77   2HB   ALA  10          2HB       ALA  10  -0.061  10.544   3.245
   78   3HB   ALA  10          1HB       ALA  10  -1.290  10.791   4.486
   79    H    ASP  11           HN       ASP  11  -1.316  13.877   4.309
   80    HA   ASP  11           HA       ASP  11   0.563  15.446   2.778
   81   1HB   ASP  11          2HB       ASP  11  -0.657  15.570   5.490
   82   2HB   ASP  11          1HB       ASP  11   0.875  16.420   5.280
   83    H    SER  12           HN       SER  12   0.875  13.036   5.340
   84    HA   SER  12           HA       SER  12   3.693  13.484   5.819
   85   1HB   SER  12          2HB       SER  12   3.524  11.118   6.817
   86   2HB   SER  12          1HB       SER  12   2.513  12.361   7.548
   87    HG   SER  12           HG       SER  12   1.260  10.551   7.133
   88    H    GLY  13           HN       GLY  13   1.856  11.557   3.529
   89   1HA   GLY  13          2HA       GLY  13   2.771  10.819   1.421
   90   2HA   GLY  13          1HA       GLY  13   4.389  10.920   2.117
   91    H    ILE  14           HN       ILE  14   4.895   8.750   1.500
   92    HA   ILE  14           HA       ILE  14   3.369   6.644   2.981
   93    HB   ILE  14           HB       ILE  14   5.185   6.138   0.619
   94   1HG1  ILE  14          2HG1      ILE  14   3.463   7.744  -0.122
   95   2HG1  ILE  14          1HG1      ILE  14   3.164   6.155  -0.817
   96   1HG2  ILE  14          2HG2      ILE  14   4.429   4.279   2.169
   97   2HG2  ILE  14          1HG2      ILE  14   2.783   4.595   1.622
   98   3HG2  ILE  14          3HG2      ILE  14   4.007   4.055   0.472
   99   1HD1  ILE  14          2HD1      ILE  14   1.753   6.017   1.546
  100   2HD1  ILE  14          1HD1      ILE  14   1.539   7.706   1.086
  101   3HD1  ILE  14          3HD1      ILE  14   1.053   6.421  -0.021
  102   1HN   HIP  15           HN       HIP  15   5.082   7.849   4.601
  103    HA   HIP  15           HA       HIP  15   7.743   6.633   4.398
  104   1HB   HIP  15          1HB       HIP  15   7.424   8.997   5.184
  105   2HB   HIP  15          2HB       HIP  15   8.373   7.996   6.266
  106    HD2  HIP  15          2HD       HIP  15   4.447   8.652   6.193
  107    HE2  HIP  15          2HE       HIP  15   3.809   9.196   8.651
  108    HE1  HIP  15          1HE       HIP  15   5.867   9.149  10.124
  109    H    ALA  16           HN       ALA  16   7.805   6.426   7.507
  110    HA   ALA  16           HA       ALA  16   7.286   3.591   7.551
  111   1HB   ALA  16          1HB       ALA  16   8.938   5.175   8.951
  112   2HB   ALA  16          3HB       ALA  16   7.623   5.037  10.119
  113   3HB   ALA  16          2HB       ALA  16   8.428   3.586   9.521
  114    H    ARG  17           HN       ARG  17   5.511   6.364   8.972
  115    HA   ARG  17           HA       ARG  17   3.736   4.881  10.592
  116   1HB   ARG  17          2HB       ARG  17   4.005   7.534   9.991
  117   2HB   ARG  17          1HB       ARG  17   2.479   7.155   9.193
  118   1HG   ARG  17          2HG       ARG  17   1.423   6.583  11.182
  119   2HG   ARG  17          1HG       ARG  17   2.938   6.170  11.986
  120   1HD   ARG  17          2HD       ARG  17   3.467   8.401  12.428
  121   2HD   ARG  17          1HD       ARG  17   2.445   9.005  11.123
  122    HE   ARG  17           HE       ARG  17   0.674   9.077  12.668
  123   1HH1  ARG  17          HH11      ARG  17   3.285   8.273  14.472
  124   2HH1  ARG  17          HH12      ARG  17   2.456   7.274  15.620
  125   1HH2  ARG  17          HH21      ARG  17  -0.492   7.170  13.798
  126   2HH2  ARG  17          HH22      ARG  17   0.318   6.651  15.238
  127    HA   PRO  18           HA       PRO  18   0.698   4.423   6.930
  128   1HB   PRO  18          2HB       PRO  18   1.651   4.903   4.388
  129   2HB   PRO  18          1HB       PRO  18   0.810   6.111   5.376
  130   1HG   PRO  18          2HG       PRO  18   3.726   5.864   4.777
  131   2HG   PRO  18          1HG       PRO  18   2.769   7.314   5.123
  132   1HD   PRO  18          2HD       PRO  18   4.457   6.036   6.944
  133   2HD   PRO  18          1HD       PRO  18   3.168   7.172   7.376
  134    H    ALA  19           HN       ALA  19   4.084   3.598   6.526
  135    HA   ALA  19           HA       ALA  19   3.655   1.233   4.909
  136   1HB   ALA  19          1HB       ALA  19   5.858   2.528   5.271
  137   2HB   ALA  19          3HB       ALA  19   5.975   1.652   6.796
  138   3HB   ALA  19          2HB       ALA  19   5.950   0.768   5.271
  139    H    THR  20           HN       THR  20   3.464   1.971   8.319
  140    HA   THR  20           HA       THR  20   3.536  -0.806   9.211
  141    HB   THR  20           HB       THR  20   2.323   1.386  10.850
  142    HG1  THR  20           HG1      THR  20   4.116   2.475  10.935
  143   1HG2  THR  20          2HG2      THR  20   3.869  -1.133  11.242
  144   2HG2  THR  20          1HG2      THR  20   4.084   0.148  12.435
  145   3HG2  THR  20          3HG2      THR  20   2.478  -0.516  12.135
  146    H    VAL  21           HN       VAL  21   1.107   1.538   8.244
  147    HA   VAL  21           HA       VAL  21  -1.186   0.118   9.282
  148    HB   VAL  21           HB       VAL  21  -1.069   1.977   6.909
  149   1HG1  VAL  21          3HG1      VAL  21  -3.163   0.585   7.351
  150   2HG1  VAL  21          2HG1      VAL  21  -3.337   1.494   8.852
  151   3HG1  VAL  21          1HG1      VAL  21  -3.402   2.332   7.301
  152   1HG2  VAL  21          3HG2      VAL  21  -0.100   2.759   9.238
  153   2HG2  VAL  21          2HG2      VAL  21  -1.198   3.815   8.353
  154   3HG2  VAL  21          1HG2      VAL  21  -1.800   2.841   9.694
  155    H    LEU  22           HN       LEU  22   0.299   0.329   6.080
  156    HA   LEU  22           HA       LEU  22  -1.440  -1.529   4.787
  157   1HB   LEU  22          2HB       LEU  22   1.374  -0.602   4.192
  158   2HB   LEU  22          1HB       LEU  22   0.426  -1.608   3.089
  159    HG   LEU  22           HG       LEU  22  -0.476   1.088   4.156
  160   1HD1  LEU  22          2HD1      LEU  22   0.913   0.248   1.602
  161   2HD1  LEU  22          1HD1      LEU  22  -0.077   1.707   1.673
  162   3HD1  LEU  22          3HD1      LEU  22   1.346   1.557   2.705
  163   1HD2  LEU  22          1HD2      LEU  22  -1.587  -0.924   2.188
  164   2HD2  LEU  22          3HD2      LEU  22  -2.400  -0.161   3.556
  165   3HD2  LEU  22          2HD2      LEU  22  -2.044   0.778   2.106
  166    H    VAL  23           HN       VAL  23   1.917  -1.991   5.974
  167    HA   VAL  23           HA       VAL  23   2.197  -4.714   5.401
  168    HB   VAL  23           HB       VAL  23   4.010  -3.255   6.297
  169   1HG1  VAL  23          1HG1      VAL  23   2.647  -2.171   8.074
  170   2HG1  VAL  23          3HG1      VAL  23   2.622  -3.694   8.961
  171   3HG1  VAL  23          2HG1      VAL  23   4.147  -2.849   8.707
  172   1HG2  VAL  23          3HG2      VAL  23   3.831  -5.900   6.497
  173   2HG2  VAL  23          2HG2      VAL  23   5.164  -5.029   7.255
  174   3HG2  VAL  23          1HG2      VAL  23   3.784  -5.543   8.223
  175    H    GLN  24           HN       GLN  24   0.363  -3.237   8.013
  176    HA   GLN  24           HA       GLN  24   0.011  -5.631   9.580
  177   1HB   GLN  24          2HB       GLN  24  -1.423  -2.988   9.416
  178   2HB   GLN  24          1HB       GLN  24  -2.057  -4.290  10.418
  179   1HG   GLN  24          2HG       GLN  24   0.789  -4.008  10.860
  180   2HG   GLN  24          1HG       GLN  24  -0.011  -2.457  11.093
  181   1HE2  GLN  24          2HE2      GLN  24  -0.579  -3.707  14.392
  182   2HE2  GLN  24          1HE2      GLN  24   0.393  -2.676  13.456
  183    H    THR  25           HN       THR  25  -2.078  -4.041   7.143
  184    HA   THR  25           HA       THR  25  -4.171  -6.001   7.280
  185    HB   THR  25           HB       THR  25  -3.534  -4.440   4.784
  186    HG1  THR  25           HG1      THR  25  -4.721  -3.478   7.172
  187   1HG2  THR  25          3HG2      THR  25  -5.645  -6.085   5.559
  188   2HG2  THR  25          2HG2      THR  25  -6.258  -4.454   5.836
  189   3HG2  THR  25          1HG2      THR  25  -5.671  -4.916   4.240
  190    H    ALA  26           HN       ALA  26  -1.635  -5.580   4.779
  191    HA   ALA  26           HA       ALA  26  -2.213  -8.000   3.396
  192   1HB   ALA  26          3HB       ALA  26   0.322  -6.359   3.603
  193   2HB   ALA  26          2HB       ALA  26   0.152  -7.743   2.523
  194   3HB   ALA  26          1HB       ALA  26  -0.877  -6.327   2.309
  195    H    SER  27           HN       SER  27  -0.619  -7.488   6.432
  196    HA   SER  27           HA       SER  27   1.123  -9.761   6.443
  197   1HB   SER  27          2HB       SER  27   1.453  -8.146   8.159
  198   2HB   SER  27          1HB       SER  27  -0.238  -8.201   8.645
  199    HG   SER  27           HG       SER  27   1.702 -10.264   8.894
  200    H    LYS  28           HN       LYS  28  -2.328  -9.420   7.001
  201    HA   LYS  28           HA       LYS  28  -2.543 -12.208   7.966
  202   1HB   LYS  28          2HB       LYS  28  -4.526  -9.952   7.635
  203   2HB   LYS  28          1HB       LYS  28  -5.031 -11.594   8.038
  204   1HG   LYS  28          2HG       LYS  28  -4.779 -10.529  10.139
  205   2HG   LYS  28          1HG       LYS  28  -3.296 -11.462   9.943
  206   1HD   LYS  28          2HD       LYS  28  -1.994  -9.586   9.579
  207   2HD   LYS  28          1HD       LYS  28  -3.335  -8.659   8.904
  208   1HE   LYS  28          2HE       LYS  28  -4.103  -7.996  10.970
  209   2HE   LYS  28          1HE       LYS  28  -3.550  -9.471  11.764
  210   1HZ   LYS  28          2HZ       LYS  28  -1.220  -8.552  11.213
  211   2HZ   LYS  28          1HZ       LYS  28  -2.016  -7.059  11.058
  212   3HZ   LYS  28          3HZ       LYS  28  -2.072  -7.898  12.530
  213    H    TYR  29           HN       TYR  29  -1.783 -11.433   5.094
  214    HA   TYR  29           HA       TYR  29  -3.856 -13.131   3.784
  215   1HB   TYR  29          2HB       TYR  29  -2.617 -10.573   2.731
  216   2HB   TYR  29          1HB       TYR  29  -3.443 -11.736   1.694
  217    HD1  TYR  29          2HD       TYR  29  -5.843 -12.433   2.347
  218    HD2  TYR  29          1HD       TYR  29  -3.858  -8.973   3.934
  219    HE1  TYR  29          2HE       TYR  29  -8.034 -11.482   3.009
  220    HE2  TYR  29          1HE       TYR  29  -6.048  -8.022   4.600
  221    HH   TYR  29           HH       TYR  29  -8.439  -9.138   5.175
  222    H    ASP  30           HN       ASP  30  -2.902 -14.933   3.038
  223    HA   ASP  30           HA       ASP  30  -0.052 -15.285   2.935
  224   1HB   ASP  30          2HB       ASP  30  -2.443 -16.890   2.142
  225   2HB   ASP  30          1HB       ASP  30  -0.882 -17.355   1.464
  226    H    ALA  31           HN       ALA  31  -2.359 -14.073   0.624
  227    HA   ALA  31           HA       ALA  31  -1.019 -14.648  -1.810
  228   1HB   ALA  31          3HB       ALA  31  -2.960 -12.577  -0.888
  229   2HB   ALA  31          2HB       ALA  31  -2.106 -12.272  -2.401
  230   3HB   ALA  31          1HB       ALA  31  -3.090 -13.724  -2.222
  231    H    ASP  32           HN       ASP  32   0.542 -13.475  -2.995
  232    HA   ASP  32           HA       ASP  32   2.370 -11.861  -1.332
  233   1HB   ASP  32          2HB       ASP  32   2.542 -13.293  -3.950
  234   2HB   ASP  32          1HB       ASP  32   3.629 -11.929  -3.685
  235    H    VAL  33           HN       VAL  33   1.166  -9.905  -1.143
  236    HA   VAL  33           HA       VAL  33   0.413  -8.481  -3.620
  237    HB   VAL  33           HB       VAL  33  -0.567  -6.810  -2.104
  238   1HG1  VAL  33          1HG1      VAL  33  -1.360  -9.515  -2.336
  239   2HG1  VAL  33          3HG1      VAL  33  -1.596  -9.093  -0.638
  240   3HG1  VAL  33          2HG1      VAL  33  -2.374  -8.141  -1.902
  241   1HG2  VAL  33          3HG2      VAL  33   1.189  -8.181  -0.171
  242   2HG2  VAL  33          2HG2      VAL  33   0.561  -6.535  -0.147
  243   3HG2  VAL  33          1HG2      VAL  33  -0.434  -7.866   0.440
  244    H    ASN  34           HN       ASN  34   1.532  -6.713  -4.428
  245    HA   ASN  34           HA       ASN  34   3.891  -5.760  -2.862
  246   1HB   ASN  34          2HB       ASN  34   3.868  -6.425  -5.822
  247   2HB   ASN  34          1HB       ASN  34   5.232  -5.753  -4.927
  248   1HD2  ASN  34          2HD2      ASN  34   4.981  -9.673  -5.048
  249   2HD2  ASN  34          1HD2      ASN  34   4.390  -8.591  -6.216
  250    H    LEU  35           HN       LEU  35   4.155  -3.571  -2.889
  251    HA   LEU  35           HA       LEU  35   2.186  -1.966  -4.435
  252   1HB   LEU  35          2HB       LEU  35   2.463  -1.571  -1.977
  253   2HB   LEU  35          1HB       LEU  35   4.135  -1.096  -2.275
  254    HG   LEU  35           HG       LEU  35   2.924   0.502  -4.068
  255   1HD1  LEU  35          1HD1      LEU  35   0.836  -0.370  -2.149
  256   2HD1  LEU  35          3HD1      LEU  35   0.921   1.366  -2.444
  257   3HD1  LEU  35          2HD1      LEU  35   0.670   0.254  -3.790
  258   1HD2  LEU  35          1HD2      LEU  35   3.158   1.052  -1.090
  259   2HD2  LEU  35          3HD2      LEU  35   4.455   1.221  -2.273
  260   3HD2  LEU  35          2HD2      LEU  35   3.050   2.283  -2.348
  261    H    GLU  36           HN       GLU  36   2.846  -0.767  -6.197
  262    HA   GLU  36           HA       GLU  36   5.781  -0.700  -6.754
  263   1HB   GLU  36          2HB       GLU  36   4.291  -1.872  -8.409
  264   2HB   GLU  36          1HB       GLU  36   3.512  -0.320  -8.723
  265   1HG   GLU  36          2HG       GLU  36   5.806   0.615  -9.263
  266   2HG   GLU  36          1HG       GLU  36   6.418  -1.039  -9.185
  267    H    TYR  37           HN       TYR  37   6.726   1.226  -6.445
  268    HA   TYR  37           HA       TYR  37   5.069   3.700  -6.607
  269   1HB   TYR  37          2HB       TYR  37   6.271   3.374  -4.478
  270   2HB   TYR  37          1HB       TYR  37   7.794   3.214  -5.349
  271    HD1  TYR  37          1HD       TYR  37   4.907   5.605  -5.636
  272    HD2  TYR  37          2HD       TYR  37   9.125   5.096  -5.006
  273    HE1  TYR  37          1HE       TYR  37   5.199   8.067  -5.599
  274    HE2  TYR  37          2HE       TYR  37   9.417   7.559  -4.969
  275    HH   TYR  37           HH       TYR  37   8.294   9.552  -5.737
  276    H    ASN  38           HN       ASN  38   5.115   4.141  -8.811
  277    HA   ASN  38           HA       ASN  38   5.970   5.072 -10.769
  278   1HB   ASN  38          2HB       ASN  38   7.434   6.408  -9.205
  279   2HB   ASN  38          1HB       ASN  38   8.677   5.179  -9.405
  280   1HD2  ASN  38          2HD2      ASN  38   7.727   7.553 -12.626
  281   2HD2  ASN  38          1HD2      ASN  38   6.575   7.320 -11.402
  282    H    GLY  39           HN       GLY  39   8.976   3.349  -9.841
  283   1HA   GLY  39          2HA       GLY  39   8.294   1.210 -11.775
  284   2HA   GLY  39          1HA       GLY  39   9.761   2.146 -12.066
  285    H    LYS  40           HN       LYS  40   8.716   1.461  -8.797
  286    HA   LYS  40           HA       LYS  40  10.910  -0.563  -8.561
  287   1HB   LYS  40          2HB       LYS  40  10.104   1.439  -6.430
  288   2HB   LYS  40          1HB       LYS  40  11.481   0.337  -6.389
  289   1HG   LYS  40          2HG       LYS  40  11.141   2.463  -8.517
  290   2HG   LYS  40          1HG       LYS  40  12.037   2.737  -7.022
  291   1HD   LYS  40          2HD       LYS  40  12.706   0.296  -8.605
  292   2HD   LYS  40          1HD       LYS  40  13.251   1.851  -9.233
  293   1HE   LYS  40          2HE       LYS  40  14.590   2.286  -7.361
  294   2HE   LYS  40          1HE       LYS  40  13.700   1.155  -6.341
  295   1HZ   LYS  40          3HZ       LYS  40  14.564  -0.648  -7.792
  296   2HZ   LYS  40          2HZ       LYS  40  15.558   0.498  -8.558
  297   3HZ   LYS  40          1HZ       LYS  40  15.764   0.159  -6.906
  298    H    THR  41           HN       THR  41   9.990  -2.501  -8.086
  299    HA   THR  41           HA       THR  41   7.337  -2.566  -6.784
  300    HB   THR  41           HB       THR  41   8.960  -4.951  -7.682
  301    HG1  THR  41           HG1      THR  41   7.758  -4.682  -9.653
  302   1HG2  THR  41          2HG2      THR  41   6.734  -4.979  -6.260
  303   2HG2  THR  41          1HG2      THR  41   5.981  -4.651  -7.821
  304   3HG2  THR  41          3HG2      THR  41   6.948  -6.109  -7.599
  305    H    VAL  42           HN       VAL  42   7.510  -2.291  -4.604
  306    HA   VAL  42           HA       VAL  42   9.554  -3.901  -3.135
  307    HB   VAL  42           HB       VAL  42   8.709  -2.387  -1.159
  308   1HG1  VAL  42          2HG1      VAL  42  10.899  -2.349  -2.772
  309   2HG1  VAL  42          1HG1      VAL  42  10.269  -0.721  -3.033
  310   3HG1  VAL  42          3HG1      VAL  42  10.660  -1.265  -1.400
  311   1HG2  VAL  42          1HG2      VAL  42   6.882  -1.427  -2.753
  312   2HG2  VAL  42          3HG2      VAL  42   7.754  -0.309  -1.704
  313   3HG2  VAL  42          2HG2      VAL  42   8.193  -0.446  -3.407
  314    H    ASN  43           HN       ASN  43   8.868  -5.232  -1.408
  315    HA   ASN  43           HA       ASN  43   6.272  -6.444  -1.726
  316   1HB   ASN  43          2HB       ASN  43   8.517  -7.399  -0.720
  317   2HB   ASN  43          1HB       ASN  43   7.885  -6.739   0.790
  318   1HD2  ASN  43          2HD2      ASN  43   6.506 -10.262  -0.391
  319   2HD2  ASN  43          1HD2      ASN  43   7.977  -9.576  -0.887
  320    H    LEU  44           HN       LEU  44   4.393  -6.126  -0.523
  321    HA   LEU  44           HA       LEU  44   3.916  -3.607   0.700
  322   1HB   LEU  44          2HB       LEU  44   2.227  -5.357  -0.200
  323   2HB   LEU  44          1HB       LEU  44   2.368  -6.118   1.378
  324    HG   LEU  44           HG       LEU  44   0.418  -4.544   1.163
  325   1HD1  LEU  44          2HD1      LEU  44   2.060  -4.992   3.295
  326   2HD1  LEU  44          1HD1      LEU  44   2.076  -3.231   3.215
  327   3HD1  LEU  44          3HD1      LEU  44   0.546  -4.093   3.373
  328   1HD2  LEU  44          2HD2      LEU  44   1.720  -2.862  -0.255
  329   2HD2  LEU  44          1HD2      LEU  44   0.743  -2.173   1.043
  330   3HD2  LEU  44          3HD2      LEU  44   2.488  -2.333   1.241
  331    H    LYS  45           HN       LYS  45   5.196  -6.595   1.990
  332    HA   LYS  45           HA       LYS  45   4.977  -5.653   4.783
  333   1HB   LYS  45          2HB       LYS  45   6.323  -8.141   3.681
  334   2HB   LYS  45          1HB       LYS  45   5.933  -7.820   5.370
  335   1HG   LYS  45          2HG       LYS  45   3.718  -8.311   5.093
  336   2HG   LYS  45          1HG       LYS  45   3.661  -7.622   3.471
  337   1HD   LYS  45          2HD       LYS  45   5.200  -9.687   2.876
  338   2HD   LYS  45          1HD       LYS  45   4.482 -10.374   4.333
  339   1HE   LYS  45          2HE       LYS  45   2.801  -9.146   2.141
  340   2HE   LYS  45          1HE       LYS  45   3.256 -10.850   2.131
  341   1HZ   LYS  45          1HZ       LYS  45   2.299 -10.987   4.410
  342   2HZ   LYS  45          3HZ       LYS  45   1.691  -9.417   4.202
  343   3HZ   LYS  45          2HZ       LYS  45   1.161 -10.673   3.189
  344    H    SER  46           HN       SER  46   6.441  -3.833   3.415
  345    HA   SER  46           HA       SER  46   9.197  -4.296   4.434
  346   1HB   SER  46          2HB       SER  46   8.814  -4.571   1.813
  347   2HB   SER  46          1HB       SER  46   8.855  -2.811   1.847
  348    HG   SER  46           HG       SER  46  10.860  -3.042   3.033
  349    H    ILE  47           HN       ILE  47   8.736  -2.897   6.162
  350    HA   ILE  47           HA       ILE  47   7.493  -0.321   5.857
  351    HB   ILE  47           HB       ILE  47   9.388  -1.213   8.045
  352   1HG1  ILE  47          2HG1      ILE  47   7.554  -2.852   7.710
  353   2HG1  ILE  47          1HG1      ILE  47   7.372  -1.987   9.232
  354   1HG2  ILE  47          3HG2      ILE  47   8.733   1.244   7.848
  355   2HG2  ILE  47          2HG2      ILE  47   7.076   0.740   8.186
  356   3HG2  ILE  47          1HG2      ILE  47   8.343   0.471   9.384
  357   1HD1  ILE  47          1HD1      ILE  47   6.025  -0.507   7.167
  358   2HD1  ILE  47          3HD1      ILE  47   5.493  -2.188   7.108
  359   3HD1  ILE  47          2HD1      ILE  47   5.343  -1.265   8.602
  360    H    MET  48           HN       MET  48  10.907  -1.080   6.642
  361    HA   MET  48           HA       MET  48  11.846   1.563   6.019
  362   1HB   MET  48          2HB       MET  48  13.041  -0.121   7.466
  363   2HB   MET  48          1HB       MET  48  13.459  -1.002   5.996
  364   1HG   MET  48          2HG       MET  48  14.932   0.620   5.272
  365   2HG   MET  48          1HG       MET  48  14.058   1.923   6.077
  366   1HE   MET  48          3HE       MET  48  14.367   2.814   8.122
  367   2HE   MET  48          2HE       MET  48  15.809   2.626   9.115
  368   3HE   MET  48          1HE       MET  48  15.964   3.161   7.444
  369    H    GLY  49           HN       GLY  49  11.248  -1.272   4.057
  370   1HA   GLY  49          2HA       GLY  49  12.912  -0.570   1.823
  371   2HA   GLY  49          1HA       GLY  49  11.518  -1.649   1.756
  372    H    VAL  50           HN       VAL  50   9.700   0.431   2.841
  373    HA   VAL  50           HA       VAL  50   9.184   1.809   0.282
  374    HB   VAL  50           HB       VAL  50   7.573   1.839   2.854
  375   1HG1  VAL  50          1HG1      VAL  50   6.912   2.608  -0.006
  376   2HG1  VAL  50          3HG1      VAL  50   5.734   2.516   1.303
  377   3HG1  VAL  50          2HG1      VAL  50   7.036   3.703   1.370
  378   1HG2  VAL  50          3HG2      VAL  50   8.034  -0.408   1.507
  379   2HG2  VAL  50          2HG2      VAL  50   6.421  -0.037   2.114
  380   3HG2  VAL  50          1HG2      VAL  50   6.815   0.260   0.421
  381    H    VAL  51           HN       VAL  51  10.231   2.545   3.555
  382    HA   VAL  51           HA       VAL  51   9.882   5.404   3.389
  383    HB   VAL  51           HB       VAL  51  11.850   3.835   5.086
  384   1HG1  VAL  51          1HG1      VAL  51  12.180   6.334   4.887
  385   2HG1  VAL  51          3HG1      VAL  51  10.570   6.539   5.574
  386   3HG1  VAL  51          2HG1      VAL  51  11.843   5.776   6.525
  387   1HG2  VAL  51          3HG2      VAL  51   9.235   3.349   5.143
  388   2HG2  VAL  51          2HG2      VAL  51  10.164   3.463   6.637
  389   3HG2  VAL  51          1HG2      VAL  51   9.208   4.839   6.084
  390    H    SER  52           HN       SER  52  12.397   3.186   2.348
  391    HA   SER  52           HA       SER  52  14.486   5.124   1.979
  392   1HB   SER  52          2HB       SER  52  15.239   3.328   0.216
  393   2HB   SER  52          1HB       SER  52  15.261   2.922   1.929
  394    HG   SER  52           HG       SER  52  14.061   1.580   0.131
  395    H    LEU  53           HN       LEU  53  11.730   4.140   0.033
  396    HA   LEU  53           HA       LEU  53  12.555   5.264  -2.464
  397   1HB   LEU  53          2HB       LEU  53   9.769   4.936  -1.305
  398   2HB   LEU  53          1HB       LEU  53  10.125   5.296  -2.996
  399    HG   LEU  53           HG       LEU  53  11.357   2.902  -1.644
  400   1HD1  LEU  53          1HD1      LEU  53   8.720   3.073  -1.556
  401   2HD1  LEU  53          3HD1      LEU  53   8.845   2.659  -3.266
  402   3HD1  LEU  53          2HD1      LEU  53   9.496   1.565  -2.044
  403   1HD2  LEU  53          3HD2      LEU  53  10.915   3.916  -4.431
  404   2HD2  LEU  53          2HD2      LEU  53  12.359   3.192  -3.721
  405   3HD2  LEU  53          1HD2      LEU  53  10.992   2.173  -4.171
  406    H    GLY  54           HN       GLY  54  10.136   6.654  -0.212
  407   1HA   GLY  54          2HA       GLY  54  10.333   8.936   0.657
  408   2HA   GLY  54          1HA       GLY  54  11.316   9.342  -0.750
  409    H    ILE  55           HN       ILE  55   8.110   7.782  -0.368
  410    HA   ILE  55           HA       ILE  55   7.075   9.257  -2.671
  411    HB   ILE  55           HB       ILE  55   5.493   7.624  -0.664
  412   1HG1  ILE  55          2HG1      ILE  55   6.858   6.678  -3.209
  413   2HG1  ILE  55          1HG1      ILE  55   7.437   6.337  -1.580
  414   1HG2  ILE  55          1HG2      ILE  55   5.052   8.624  -3.475
  415   2HG2  ILE  55          3HG2      ILE  55   4.169   7.226  -2.863
  416   3HG2  ILE  55          2HG2      ILE  55   4.000   8.791  -2.069
  417   1HD1  ILE  55          1HD1      ILE  55   4.977   5.442  -1.225
  418   2HD1  ILE  55          3HD1      ILE  55   5.000   5.293  -2.981
  419   3HD1  ILE  55          2HD1      ILE  55   6.186   4.424  -2.007
  420    H    ALA  56           HN       ALA  56   5.420  10.860  -2.586
  421    HA   ALA  56           HA       ALA  56   4.903  12.044   0.102
  422   1HB   ALA  56          2HB       ALA  56   6.585  13.140  -1.920
  423   2HB   ALA  56          1HB       ALA  56   5.138  14.146  -1.841
  424   3HB   ALA  56          3HB       ALA  56   6.107  13.879  -0.391
  425    H    LYS  57           HN       LYS  57   3.396  14.226  -0.774
  426    HA   LYS  57           HA       LYS  57   0.856  12.998  -1.323
  427   1HB   LYS  57          2HB       LYS  57   1.661  15.913  -1.578
  428   2HB   LYS  57          1HB       LYS  57   0.012  15.301  -1.465
  429   1HG   LYS  57          2HG       LYS  57   0.141  15.028   0.781
  430   2HG   LYS  57          1HG       LYS  57   1.762  14.340   0.696
  431   1HD   LYS  57          2HD       LYS  57   2.069  16.383   1.849
  432   2HD   LYS  57          1HD       LYS  57   2.551  16.750   0.192
  433   1HE   LYS  57          2HE       LYS  57   0.362  17.724  -0.271
  434   2HE   LYS  57          1HE       LYS  57  -0.210  17.269   1.334
  435   1HZ   LYS  57          3HZ       LYS  57   2.135  19.027   0.900
  436   2HZ   LYS  57          2HZ       LYS  57   0.556  19.626   1.081
  437   3HZ   LYS  57          1HZ       LYS  57   1.289  18.760   2.345
  438    H    GLY  58           HN       GLY  58  -0.457  13.243  -3.229
  439   1HA   GLY  58          2HA       GLY  58  -0.840  13.236  -5.546
  440   2HA   GLY  58          1HA       GLY  58   0.454  14.431  -5.668
  441    H    ALA  59           HN       ALA  59   0.250  10.964  -4.797
  442    HA   ALA  59           HA       ALA  59   2.455  10.468  -6.757
  443   1HB   ALA  59          3HB       ALA  59   2.788  10.286  -4.070
  444   2HB   ALA  59          2HB       ALA  59   2.221   8.653  -4.418
  445   3HB   ALA  59          1HB       ALA  59   3.663   9.277  -5.220
  446    H    GLU  60           HN       GLU  60   2.537   7.980  -7.225
  447    HA   GLU  60           HA       GLU  60  -0.253   6.916  -7.410
  448   1HB   GLU  60          2HB       GLU  60   1.891   7.014  -9.548
  449   2HB   GLU  60          1HB       GLU  60   0.487   5.952  -9.654
  450   1HG   GLU  60          2HG       GLU  60  -1.009   7.725  -9.870
  451   2HG   GLU  60          1HG       GLU  60   0.077   8.870  -9.083
  452    H    ILE  61           HN       ILE  61  -0.441   4.710  -7.017
  453    HA   ILE  61           HA       ILE  61   2.042   3.107  -6.725
  454    HB   ILE  61           HB       ILE  61   1.161   2.232  -4.521
  455   1HG1  ILE  61          2HG1      ILE  61  -0.658   4.653  -4.796
  456   2HG1  ILE  61          1HG1      ILE  61  -1.178   2.971  -4.789
  457   1HG2  ILE  61          2HG2      ILE  61   2.896   4.154  -4.943
  458   2HG2  ILE  61          1HG2      ILE  61   1.619   5.198  -4.319
  459   3HG2  ILE  61          3HG2      ILE  61   2.270   3.904  -3.314
  460   1HD1  ILE  61          3HD1      ILE  61   0.394   3.288  -2.463
  461   2HD1  ILE  61          2HD1      ILE  61  -0.645   4.710  -2.541
  462   3HD1  ILE  61          1HD1      ILE  61  -1.358   3.097  -2.547
  463    H    THR  62           HN       THR  62   1.738   1.168  -7.699
  464    HA   THR  62           HA       THR  62  -1.066   0.289  -8.220
  465    HB   THR  62           HB       THR  62   1.418  -0.739  -9.600
  466    HG1  THR  62           HG1      THR  62   1.447   1.394 -10.050
  467   1HG2  THR  62          3HG2      THR  62  -1.530  -0.957  -9.936
  468   2HG2  THR  62          2HG2      THR  62  -0.567  -0.841 -11.409
  469   3HG2  THR  62          1HG2      THR  62  -0.269  -2.147 -10.261
  470    H    ILE  63           HN       ILE  63  -1.697  -1.166  -6.700
  471    HA   ILE  63           HA       ILE  63   0.290  -3.042  -5.545
  472    HB   ILE  63           HB       ILE  63  -2.629  -2.576  -4.849
  473   1HG1  ILE  63          2HG1      ILE  63  -0.104  -1.683  -3.424
  474   2HG1  ILE  63          1HG1      ILE  63  -1.101  -0.634  -4.433
  475   1HG2  ILE  63          1HG2      ILE  63  -0.470  -4.348  -3.732
  476   2HG2  ILE  63          3HG2      ILE  63  -1.722  -3.714  -2.664
  477   3HG2  ILE  63          2HG2      ILE  63  -2.165  -4.724  -4.041
  478   1HD1  ILE  63          1HD1      ILE  63  -2.042  -2.101  -1.950
  479   2HD1  ILE  63          3HD1      ILE  63  -1.681  -0.378  -2.047
  480   3HD1  ILE  63          2HD1      ILE  63  -3.035  -1.047  -2.958
  481    H    SER  64           HN       SER  64  -0.017  -5.329  -5.666
  482    HA   SER  64           HA       SER  64  -2.166  -6.366  -7.409
  483   1HB   SER  64          2HB       SER  64  -0.247  -7.683  -8.644
  484   2HB   SER  64          1HB       SER  64  -0.659  -6.050  -9.158
  485    HG   SER  64           HG       SER  64   1.458  -6.885  -7.464
  486    H    ALA  65           HN       ALA  65  -2.964  -7.903  -6.057
  487    HA   ALA  65           HA       ALA  65  -1.150  -9.457  -4.313
  488   1HB   ALA  65          2HB       ALA  65  -3.411  -8.545  -3.556
  489   2HB   ALA  65          1HB       ALA  65  -4.151  -9.754  -4.605
  490   3HB   ALA  65          3HB       ALA  65  -3.144 -10.261  -3.249
  491    H    SER  66           HN       SER  66  -0.522 -11.541  -4.795
  492    HA   SER  66           HA       SER  66  -2.014 -13.013  -6.913
  493   1HB   SER  66          2HB       SER  66   0.582 -11.845  -7.221
  494   2HB   SER  66          1HB       SER  66   0.766 -13.596  -7.228
  495    HG   SER  66           HG       SER  66  -0.929 -11.996  -8.848
  496    H    GLY  67           HN       GLY  67  -2.784 -14.644  -5.608
  497   1HA   GLY  67          2HA       GLY  67  -1.116 -16.792  -4.829
  498   2HA   GLY  67          1HA       GLY  67  -1.382 -15.797  -3.397
  499    H    ALA  68           HN       ALA  68  -2.858 -16.940  -2.206
  500    HA   ALA  68           HA       ALA  68  -5.136 -18.260  -3.552
  501   1HB   ALA  68          3HB       ALA  68  -3.922 -19.416  -1.708
  502   2HB   ALA  68          2HB       ALA  68  -4.421 -18.132  -0.607
  503   3HB   ALA  68          1HB       ALA  68  -5.632 -19.185  -1.340
  504    H    ASP  69           HN       ASP  69  -4.758 -16.001  -0.796
  505    HA   ASP  69           HA       ASP  69  -7.514 -15.009  -1.310
  506   1HB   ASP  69          2HB       ASP  69  -7.182 -13.818   0.885
  507   2HB   ASP  69          1HB       ASP  69  -7.052 -15.573   1.005
  508    H    GLU  70           HN       GLU  70  -5.782 -14.272  -3.297
  509    HA   GLU  70           HA       GLU  70  -4.418 -11.784  -2.849
  510   1HB   GLU  70          2HB       GLU  70  -4.383 -11.604  -5.312
  511   2HB   GLU  70          1HB       GLU  70  -3.928 -13.223  -4.790
  512   1HG   GLU  70          2HG       GLU  70  -6.344 -13.911  -5.144
  513   2HG   GLU  70          1HG       GLU  70  -6.609 -12.336  -5.888
  514    H    ASN  71           HN       ASN  71  -7.705 -12.550  -3.971
  515    HA   ASN  71           HA       ASN  71  -8.438  -9.811  -4.522
  516   1HB   ASN  71          2HB       ASN  71  -9.886 -12.410  -4.233
  517   2HB   ASN  71          1HB       ASN  71 -10.828 -10.921  -4.130
  518   1HD2  ASN  71          2HD2      ASN  71  -9.642 -12.216  -7.735
  519   2HD2  ASN  71          1HD2      ASN  71  -9.538 -13.163  -6.331
  520    H    ASP  72           HN       ASP  72  -8.660 -11.887  -1.668
  521    HA   ASP  72           HA       ASP  72 -10.264 -10.025  -0.133
  522   1HB   ASP  72          2HB       ASP  72  -8.526 -12.352   0.726
  523   2HB   ASP  72          1HB       ASP  72  -9.618 -11.473   1.795
  524    H    ALA  73           HN       ALA  73  -6.846 -10.355  -0.782
  525    HA   ALA  73           HA       ALA  73  -6.015  -8.752   1.514
  526   1HB   ALA  73          1HB       ALA  73  -4.518  -9.627  -0.971
  527   2HB   ALA  73          3HB       ALA  73  -3.784  -8.805   0.408
  528   3HB   ALA  73          2HB       ALA  73  -4.480 -10.414   0.609
  529    H    LEU  74           HN       LEU  74  -6.355  -8.158  -2.006
  530    HA   LEU  74           HA       LEU  74  -5.359  -5.492  -1.936
  531   1HB   LEU  74          2HB       LEU  74  -6.414  -5.182  -4.111
  532   2HB   LEU  74          1HB       LEU  74  -5.669  -6.774  -4.029
  533    HG   LEU  74           HG       LEU  74  -8.085  -7.490  -3.202
  534   1HD1  LEU  74          1HD1      LEU  74  -8.528  -4.788  -3.732
  535   2HD1  LEU  74          3HD1      LEU  74  -9.142  -5.595  -5.176
  536   3HD1  LEU  74          2HD1      LEU  74  -9.776  -6.026  -3.588
  537   1HD2  LEU  74          3HD2      LEU  74  -7.205  -6.941  -6.044
  538   2HD2  LEU  74          2HD2      LEU  74  -7.067  -8.454  -5.149
  539   3HD2  LEU  74          1HD2      LEU  74  -8.653  -7.868  -5.653
  540    H    ASN  75           HN       ASN  75  -8.705  -6.694  -1.539
  541    HA   ASN  75           HA       ASN  75  -9.782  -4.011  -1.288
  542   1HB   ASN  75          2HB       ASN  75 -11.858  -5.085  -0.594
  543   2HB   ASN  75          1HB       ASN  75 -11.184  -5.962  -1.965
  544   1HD2  ASN  75          2HD2      ASN  75 -11.977  -8.026   1.314
  545   2HD2  ASN  75          1HD2      ASN  75 -12.686  -6.541   0.900
  546    H    ALA  76           HN       ALA  76  -8.331  -6.311   0.912
  547    HA   ALA  76           HA       ALA  76  -9.279  -5.249   3.386
  548   1HB   ALA  76          2HB       ALA  76  -7.884  -7.386   2.940
  549   2HB   ALA  76          1HB       ALA  76  -6.484  -6.315   2.988
  550   3HB   ALA  76          3HB       ALA  76  -7.526  -6.470   4.403
  551    H    LEU  77           HN       LEU  77  -6.151  -4.603   1.740
  552    HA   LEU  77           HA       LEU  77  -5.470  -2.387   3.432
  553   1HB   LEU  77          2HB       LEU  77  -4.542  -2.855   0.586
  554   2HB   LEU  77          1HB       LEU  77  -3.712  -1.934   1.839
  555    HG   LEU  77           HG       LEU  77  -4.228  -4.525   2.920
  556   1HD1  LEU  77          3HD1      LEU  77  -4.286  -4.854   0.239
  557   2HD1  LEU  77          2HD1      LEU  77  -2.546  -4.952   0.511
  558   3HD1  LEU  77          1HD1      LEU  77  -3.632  -6.065   1.342
  559   1HD2  LEU  77          1HD2      LEU  77  -2.338  -3.006   3.461
  560   2HD2  LEU  77          3HD2      LEU  77  -1.779  -4.623   3.033
  561   3HD2  LEU  77          2HD2      LEU  77  -1.656  -3.311   1.863
  562    H    GLU  78           HN       GLU  78  -7.562  -2.661   0.648
  563    HA   GLU  78           HA       GLU  78  -7.486   0.061  -0.232
  564   1HB   GLU  78          2HB       GLU  78  -8.514  -1.768  -1.543
  565   2HB   GLU  78          1HB       GLU  78  -9.785  -1.918  -0.334
  566   1HG   GLU  78          2HG       GLU  78  -9.520   0.843  -1.214
  567   2HG   GLU  78          1HG       GLU  78  -9.793  -0.229  -2.586
  568    H    GLU  79           HN       GLU  79 -10.055  -1.499   1.749
  569    HA   GLU  79           HA       GLU  79 -11.293   0.945   2.520
  570   1HB   GLU  79          2HB       GLU  79 -12.331  -0.399   4.344
  571   2HB   GLU  79          1HB       GLU  79 -12.431  -1.202   2.778
  572   1HG   GLU  79          2HG       GLU  79 -11.595  -2.981   3.942
  573   2HG   GLU  79          1HG       GLU  79 -10.055  -2.174   3.648
  574    H    THR  80           HN       THR  80  -8.594  -0.842   3.955
  575    HA   THR  80           HA       THR  80  -8.450   0.616   6.418
  576    HB   THR  80           HB       THR  80  -6.155  -0.596   4.843
  577    HG1  THR  80           HG1      THR  80  -7.751  -1.763   6.871
  578   1HG2  THR  80          1HG2      THR  80  -6.490   0.519   7.580
  579   2HG2  THR  80          3HG2      THR  80  -5.537  -0.957   7.437
  580   3HG2  THR  80          2HG2      THR  80  -5.064   0.488   6.544
  581    H    MET  81           HN       MET  81  -7.291   1.271   3.171
  582    HA   MET  81           HA       MET  81  -5.624   3.533   3.857
  583   1HB   MET  81          2HB       MET  81  -6.880   2.530   1.297
  584   2HB   MET  81          1HB       MET  81  -5.973   4.039   1.343
  585   1HG   MET  81          2HG       MET  81  -4.677   1.682   2.612
  586   2HG   MET  81          1HG       MET  81  -4.812   1.649   0.854
  587   1HE   MET  81          2HE       MET  81  -2.506   1.621   0.301
  588   2HE   MET  81          1HE       MET  81  -3.245   2.849  -0.723
  589   3HE   MET  81          3HE       MET  81  -1.647   3.125  -0.018
  590    H    LYS  82           HN       LYS  82  -9.026   3.070   3.115
  591    HA   LYS  82           HA       LYS  82  -9.574   5.934   2.856
  592   1HB   LYS  82          2HB       LYS  82 -11.359   3.489   3.029
  593   2HB   LYS  82          1HB       LYS  82 -11.977   5.133   2.842
  594   1HG   LYS  82          2HG       LYS  82  -9.911   3.981   0.961
  595   2HG   LYS  82          1HG       LYS  82 -11.641   3.779   0.685
  596   1HD   LYS  82          2HD       LYS  82 -10.308   6.470   1.087
  597   2HD   LYS  82          1HD       LYS  82 -10.646   5.769  -0.496
  598   1HE   LYS  82          2HE       LYS  82 -13.078   5.545   0.298
  599   2HE   LYS  82          1HE       LYS  82 -12.624   6.616   1.624
  600   1HZ   LYS  82          3HZ       LYS  82 -11.719   8.123  -0.189
  601   2HZ   LYS  82          2HZ       LYS  82 -12.618   7.178  -1.277
  602   3HZ   LYS  82          1HZ       LYS  82 -13.405   8.029  -0.034
  603    H    SER  83           HN       SER  83  -9.375   3.654   5.465
  604    HA   SER  83           HA       SER  83 -11.136   5.142   7.263
  605   1HB   SER  83          2HB       SER  83 -10.489   3.530   8.927
  606   2HB   SER  83          1HB       SER  83 -10.688   2.651   7.413
  607    HG   SER  83           HG       SER  83  -8.744   1.997   8.071
  608    H    GLU  84           HN       GLU  84  -7.610   4.711   6.903
  609    HA   GLU  84           HA       GLU  84  -7.047   6.648   9.026
  610   1HB   GLU  84          2HB       GLU  84  -5.433   4.948   7.168
  611   2HB   GLU  84          1HB       GLU  84  -4.657   6.361   7.885
  612   1HG   GLU  84          2HG       GLU  84  -6.240   4.583   9.689
  613   2HG   GLU  84          1HG       GLU  84  -4.670   4.001   9.134
  614    H    GLY  85           HN       GLY  85  -7.330   6.661   5.528
  615   1HA   GLY  85          2HA       GLY  85  -7.751   8.649   4.243
  616   2HA   GLY  85          1HA       GLY  85  -7.095   9.615   5.566
  617    H    LEU  86           HN       LEU  86  -5.498   6.761   4.275
  618    HA   LEU  86           HA       LEU  86  -3.084   8.330   3.736
  619   1HB   LEU  86          2HB       LEU  86  -3.745   5.393   3.402
  620   2HB   LEU  86          1HB       LEU  86  -2.164   6.086   3.040
  621    HG   LEU  86           HG       LEU  86  -3.552   6.302   5.729
  622   1HD1  LEU  86          3HD1      LEU  86  -1.511   4.380   4.623
  623   2HD1  LEU  86          2HD1      LEU  86  -1.574   4.738   6.349
  624   3HD1  LEU  86          1HD1      LEU  86  -2.972   4.026   5.544
  625   1HD2  LEU  86          2HD2      LEU  86  -0.988   7.304   4.552
  626   2HD2  LEU  86          1HD2      LEU  86  -2.058   8.073   5.725
  627   3HD2  LEU  86          3HD2      LEU  86  -0.970   6.781   6.237
  628    H    GLY  87           HN       GLY  87  -5.033   6.079   1.736
  629   1HA   GLY  87          2HA       GLY  87  -4.692   7.934  -0.563
  630   2HA   GLY  87          1HA       GLY  87  -4.167   6.261  -0.756
  631    H    GLU  88           HN       GLU  88  -5.942   6.582  -2.524
  632    HA   GLU  88           HA       GLU  88  -8.574   5.780  -1.343
  633   1HB   GLU  88          2HB       GLU  88  -9.599   6.783  -3.413
  634   2HB   GLU  88          1HB       GLU  88  -8.826   7.966  -2.358
  635   1HG   GLU  88          2HG       GLU  88  -7.224   8.472  -3.891
  636   2HG   GLU  88          1HG       GLU  88  -7.014   6.786  -4.367
   
  No H/Q in entry =         636
  Start of MODEL   21
    1   1H    ALA   2          3HT       ALA   2  -5.344  -9.595  -9.673
    2   2H    ALA   2          2HT       ALA   2  -6.676 -10.644  -9.563
    3   3H    ALA   2          1HT       ALA   2  -6.895  -9.037 -10.069
    4    HA   ALA   2           HA       ALA   2  -7.604  -8.985  -7.877
    5   1HB   ALA   2          2HB       ALA   2  -5.376 -10.958  -7.520
    6   2HB   ALA   2          1HB       ALA   2  -5.891 -10.000  -6.132
    7   3HB   ALA   2          3HB       ALA   2  -7.045 -11.046  -6.960
    8    H    GLN   3           HN       GLN   3  -5.845  -7.354  -9.572
    9    HA   GLN   3           HA       GLN   3  -4.098  -6.078  -7.512
   10   1HB   GLN   3          2HB       GLN   3  -3.105  -4.878  -9.524
   11   2HB   GLN   3          1HB       GLN   3  -2.826  -6.616  -9.474
   12   1HG   GLN   3          2HG       GLN   3  -4.539  -7.030 -11.097
   13   2HG   GLN   3          1HG       GLN   3  -5.147  -5.379 -10.970
   14   1HE2  GLN   3          2HE2      GLN   3  -1.973  -6.181 -13.386
   15   2HE2  GLN   3          1HE2      GLN   3  -2.669  -7.400 -12.431
   16    H    LYS   4           HN       LYS   4  -4.255  -3.808  -7.189
   17    HA   LYS   4           HA       LYS   4  -6.525  -2.408  -8.499
   18   1HB   LYS   4          2HB       LYS   4  -6.513  -3.373  -5.763
   19   2HB   LYS   4          1HB       LYS   4  -6.620  -1.613  -5.783
   20   1HG   LYS   4          2HG       LYS   4  -8.494  -1.809  -7.446
   21   2HG   LYS   4          1HG       LYS   4  -8.442  -3.559  -7.231
   22   1HD   LYS   4          2HD       LYS   4 -10.041  -3.044  -5.649
   23   2HD   LYS   4          1HD       LYS   4  -8.595  -2.866  -4.653
   24   1HE   LYS   4          2HE       LYS   4 -10.005  -0.909  -4.337
   25   2HE   LYS   4          1HE       LYS   4  -8.562  -0.428  -5.230
   26   1HZ   LYS   4          1HZ       LYS   4 -10.986  -1.261  -6.678
   27   2HZ   LYS   4          3HZ       LYS   4 -10.868   0.317  -6.066
   28   3HZ   LYS   4          2HZ       LYS   4  -9.726  -0.243  -7.191
   29    H    THR   5           HN       THR   5  -6.295  -0.110  -8.469
   30    HA   THR   5           HA       THR   5  -3.518   0.795  -7.852
   31    HB   THR   5           HB       THR   5  -5.572   2.213  -9.568
   32    HG1  THR   5           HG1      THR   5  -3.496   0.477 -10.407
   33   1HG2  THR   5          3HG2      THR   5  -3.467   3.370  -8.609
   34   2HG2  THR   5          2HG2      THR   5  -2.564   2.351  -9.731
   35   3HG2  THR   5          1HG2      THR   5  -3.754   3.500 -10.344
   36    H    PHE   6           HN       PHE   6  -3.229   2.794  -6.712
   37    HA   PHE   6           HA       PHE   6  -5.665   3.918  -5.412
   38   1HB   PHE   6          2HB       PHE   6  -3.113   3.068  -4.012
   39   2HB   PHE   6          1HB       PHE   6  -4.395   4.016  -3.257
   40    HD1  PHE   6          1HD       PHE   6  -3.706   0.776  -4.980
   41    HD2  PHE   6          2HD       PHE   6  -6.318   2.967  -2.367
   42    HE1  PHE   6          1HE       PHE   6  -4.955  -1.308  -4.482
   43    HE2  PHE   6          2HE       PHE   6  -7.569   0.884  -1.872
   44    HZ   PHE   6           HZ       PHE   6  -6.887  -1.254  -2.927
   45    H    LYS   7           HN       LYS   7  -5.145   6.067  -4.360
   46    HA   LYS   7           HA       LYS   7  -3.067   7.501  -5.969
   47   1HB   LYS   7          2HB       LYS   7  -5.641   8.053  -6.135
   48   2HB   LYS   7          1HB       LYS   7  -5.349   8.910  -4.621
   49   1HG   LYS   7          2HG       LYS   7  -4.954  10.560  -6.252
   50   2HG   LYS   7          1HG       LYS   7  -3.334   9.975  -5.871
   51   1HD   LYS   7          2HD       LYS   7  -3.096   8.898  -7.892
   52   2HD   LYS   7          1HD       LYS   7  -4.821   8.561  -8.035
   53   1HE   LYS   7          2HE       LYS   7  -4.025  10.265  -9.684
   54   2HE   LYS   7          1HE       LYS   7  -5.274  10.884  -8.606
   55   1HZ   LYS   7          1HZ       LYS   7  -2.429  11.189  -7.910
   56   2HZ   LYS   7          3HZ       LYS   7  -3.158  12.271  -8.993
   57   3HZ   LYS   7          2HZ       LYS   7  -3.760  12.120  -7.412
   58    H    VAL   8           HN       VAL   8  -1.499   8.593  -4.858
   59    HA   VAL   8           HA       VAL   8  -1.462   8.320  -1.919
   60    HB   VAL   8           HB       VAL   8   0.632   9.517  -3.757
   61   1HG1  VAL   8          2HG1      VAL   8   0.552   9.878  -1.144
   62   2HG1  VAL   8          1HG1      VAL   8   1.140   8.215  -1.100
   63   3HG1  VAL   8          3HG1      VAL   8   2.076   9.460  -1.928
   64   1HG2  VAL   8          1HG2      VAL   8   0.251   6.683  -2.744
   65   2HG2  VAL   8          3HG2      VAL   8   0.218   7.214  -4.424
   66   3HG2  VAL   8          2HG2      VAL   8   1.726   7.268  -3.514
   67    H    THR   9           HN       THR   9  -2.843   9.868  -1.064
   68    HA   THR   9           HA       THR   9  -2.201  12.713  -1.734
   69    HB   THR   9           HB       THR   9  -4.898  11.866  -0.707
   70    HG1  THR   9           HG1      THR   9  -5.540  11.677  -2.883
   71   1HG2  THR   9          1HG2      THR   9  -3.909  14.299  -1.020
   72   2HG2  THR   9          3HG2      THR   9  -4.340  14.023  -2.708
   73   3HG2  THR   9          2HG2      THR   9  -5.582  13.951  -1.456
   74    H    ALA  10           HN       ALA  10  -1.154  10.875   0.409
   75    HA   ALA  10           HA       ALA  10  -2.339  11.789   2.903
   76   1HB   ALA  10          3HB       ALA  10  -0.078  10.031   2.094
   77   2HB   ALA  10          2HB       ALA  10   0.041  10.788   3.682
   78   3HB   ALA  10          1HB       ALA  10  -1.338   9.759   3.297
   79    H    ASP  11           HN       ASP  11  -1.232  13.157   4.463
   80    HA   ASP  11           HA       ASP  11  -0.063  15.515   3.311
   81   1HB   ASP  11          2HB       ASP  11  -1.316  15.344   5.529
   82   2HB   ASP  11          1HB       ASP  11   0.163  14.659   6.207
   83    H    SER  12           HN       SER  12   1.332  12.756   5.085
   84    HA   SER  12           HA       SER  12   4.057  13.779   4.452
   85   1HB   SER  12          2HB       SER  12   4.864  12.278   6.141
   86   2HB   SER  12          1HB       SER  12   3.432  13.054   6.810
   87    HG   SER  12           HG       SER  12   3.094  10.936   7.161
   88    H    GLY  13           HN       GLY  13   2.079  12.342   2.566
   89   1HA   GLY  13          2HA       GLY  13   2.255  10.785   0.824
   90   2HA   GLY  13          1HA       GLY  13   3.997  10.828   1.097
   91    H    ILE  14           HN       ILE  14   4.533   8.674   1.141
   92    HA   ILE  14           HA       ILE  14   3.064   6.953   3.101
   93    HB   ILE  14           HB       ILE  14   4.539   6.054   0.609
   94   1HG1  ILE  14          2HG1      ILE  14   1.552   6.229   1.102
   95   2HG1  ILE  14          1HG1      ILE  14   2.466   7.401   0.152
   96   1HG2  ILE  14          3HG2      ILE  14   4.104   4.569   2.784
   97   2HG2  ILE  14          2HG2      ILE  14   2.499   4.424   2.065
   98   3HG2  ILE  14          1HG2      ILE  14   3.922   3.897   1.165
   99   1HD1  ILE  14          2HD1      ILE  14   2.300   4.429  -0.432
  100   2HD1  ILE  14          1HD1      ILE  14   1.413   5.686  -1.295
  101   3HD1  ILE  14          3HD1      ILE  14   3.173   5.624  -1.392
  102   1HN   HIP  15           HN       HIP  15   4.526   7.535   4.797
  103    HA   HIP  15           HA       HIP  15   7.347   6.710   4.387
  104   1HB   HIP  15          1HB       HIP  15   6.918   9.042   5.200
  105   2HB   HIP  15          2HB       HIP  15   7.931   8.095   6.271
  106    HD2  HIP  15          2HD       HIP  15   3.979   8.609   6.225
  107    HE2  HIP  15          2HE       HIP  15   3.334   9.051   8.701
  108    HE1  HIP  15          1HE       HIP  15   5.401   9.048  10.162
  109    H    ALA  16           HN       ALA  16   7.435   6.503   7.526
  110    HA   ALA  16           HA       ALA  16   7.122   3.638   7.565
  111   1HB   ALA  16          2HB       ALA  16   8.733   5.166   8.930
  112   2HB   ALA  16          1HB       ALA  16   7.379   5.298  10.053
  113   3HB   ALA  16          3HB       ALA  16   8.076   3.719   9.693
  114    H    ARG  17           HN       ARG  17   5.192   6.285   9.027
  115    HA   ARG  17           HA       ARG  17   3.485   4.713  10.611
  116   1HB   ARG  17          2HB       ARG  17   3.614   7.370  10.015
  117   2HB   ARG  17          1HB       ARG  17   2.122   6.917   9.197
  118   1HG   ARG  17          2HG       ARG  17   1.033   6.429  11.151
  119   2HG   ARG  17          1HG       ARG  17   2.497   5.846  11.943
  120   1HD   ARG  17          2HD       ARG  17   3.079   7.928  12.701
  121   2HD   ARG  17          1HD       ARG  17   2.433   8.742  11.276
  122    HE   ARG  17           HE       ARG  17   0.457   7.584  13.148
  123   1HH1  ARG  17          HH21      ARG  17  -0.232   9.671  11.119
  124   2HH1  ARG  17          HH22      ARG  17  -0.290  11.111  12.080
  125   1HH2  ARG  17          HH11      ARG  17   1.426   9.716  14.750
  126   2HH2  ARG  17          HH12      ARG  17   0.650  11.136  14.135
  127    HA   PRO  18           HA       PRO  18   0.470   4.078   6.964
  128   1HB   PRO  18          2HB       PRO  18   1.365   4.607   4.416
  129   2HB   PRO  18          1HB       PRO  18   0.478   5.772   5.414
  130   1HG   PRO  18          2HG       PRO  18   3.395   5.675   4.778
  131   2HG   PRO  18          1HG       PRO  18   2.370   7.075   5.139
  132   1HD   PRO  18          2HD       PRO  18   4.145   5.871   6.940
  133   2HD   PRO  18          1HD       PRO  18   2.816   6.952   7.387
  134    H    ALA  19           HN       ALA  19   3.888   3.414   6.548
  135    HA   ALA  19           HA       ALA  19   3.519   1.030   4.918
  136   1HB   ALA  19          3HB       ALA  19   5.655   2.503   5.208
  137   2HB   ALA  19          2HB       ALA  19   5.931   1.525   6.649
  138   3HB   ALA  19          1HB       ALA  19   5.844   0.756   5.063
  139    H    THR  20           HN       THR  20   3.359   1.756   8.321
  140    HA   THR  20           HA       THR  20   3.735  -1.028   9.166
  141    HB   THR  20           HB       THR  20   2.501   1.041  10.942
  142    HG1  THR  20           HG1      THR  20   4.660   1.811  11.318
  143   1HG2  THR  20          1HG2      THR  20   3.288  -1.464  11.411
  144   2HG2  THR  20          3HG2      THR  20   4.846  -0.669  11.635
  145   3HG2  THR  20          2HG2      THR  20   3.466  -0.199  12.627
  146    H    VAL  21           HN       VAL  21   1.097   1.181   8.449
  147    HA   VAL  21           HA       VAL  21  -1.013  -0.446   9.583
  148    HB   VAL  21           HB       VAL  21  -1.257   1.516   7.311
  149   1HG1  VAL  21          1HG1      VAL  21  -3.143  -0.121   8.292
  150   2HG1  VAL  21          3HG1      VAL  21  -3.292   1.189   9.461
  151   3HG1  VAL  21          2HG1      VAL  21  -3.516   1.511   7.744
  152   1HG2  VAL  21          2HG2      VAL  21  -0.715   1.931  10.207
  153   2HG2  VAL  21          1HG2      VAL  21  -0.308   2.957   8.833
  154   3HG2  VAL  21          3HG2      VAL  21  -1.945   2.967   9.487
  155    H    LEU  22           HN       LEU  22   0.362  -0.041   6.364
  156    HA   LEU  22           HA       LEU  22  -1.406  -1.893   5.052
  157   1HB   LEU  22          2HB       LEU  22   1.312  -0.779   4.327
  158   2HB   LEU  22          1HB       LEU  22   0.337  -1.771   3.236
  159    HG   LEU  22           HG       LEU  22  -0.625   0.808   4.521
  160   1HD1  LEU  22          1HD1      LEU  22   0.631   0.208   1.832
  161   2HD1  LEU  22          3HD1      LEU  22  -0.417   1.608   2.072
  162   3HD1  LEU  22          2HD1      LEU  22   1.079   1.459   2.993
  163   1HD2  LEU  22          2HD2      LEU  22  -1.743  -1.081   2.428
  164   2HD2  LEU  22          1HD2      LEU  22  -2.485  -0.596   3.954
  165   3HD2  LEU  22          3HD2      LEU  22  -2.342   0.566   2.634
  166    H    VAL  23           HN       VAL  23   2.001  -2.217   6.153
  167    HA   VAL  23           HA       VAL  23   2.376  -4.906   5.377
  168    HB   VAL  23           HB       VAL  23   4.197  -3.447   6.206
  169   1HG1  VAL  23          1HG1      VAL  23   2.835  -2.446   8.074
  170   2HG1  VAL  23          3HG1      VAL  23   3.044  -3.956   8.962
  171   3HG1  VAL  23          2HG1      VAL  23   4.449  -2.966   8.560
  172   1HG2  VAL  23          2HG2      VAL  23   4.032  -6.123   6.464
  173   2HG2  VAL  23          1HG2      VAL  23   5.444  -5.210   6.999
  174   3HG2  VAL  23          3HG2      VAL  23   4.212  -5.694   8.166
  175    H    GLN  24           HN       GLN  24   0.614  -3.599   8.111
  176    HA   GLN  24           HA       GLN  24   0.428  -6.091   9.581
  177   1HB   GLN  24          2HB       GLN  24  -1.026  -3.454   9.686
  178   2HB   GLN  24          1HB       GLN  24  -1.581  -4.823  10.646
  179   1HG   GLN  24          2HG       GLN  24   1.265  -4.608  10.952
  180   2HG   GLN  24          1HG       GLN  24   0.557  -3.019  11.227
  181   1HE2  GLN  24          2HE2      GLN  24  -1.176  -4.007  14.191
  182   2HE2  GLN  24          1HE2      GLN  24  -1.128  -2.855  12.944
  183    H    THR  25           HN       THR  25  -1.581  -4.474   7.149
  184    HA   THR  25           HA       THR  25  -3.778  -6.356   7.360
  185    HB   THR  25           HB       THR  25  -3.251  -4.799   4.859
  186    HG1  THR  25           HG1      THR  25  -4.110  -2.966   5.967
  187   1HG2  THR  25          2HG2      THR  25  -5.320  -6.302   5.559
  188   2HG2  THR  25          1HG2      THR  25  -5.801  -4.839   6.417
  189   3HG2  THR  25          3HG2      THR  25  -5.556  -4.796   4.672
  190    H    ALA  26           HN       ALA  26  -1.500  -5.824   4.640
  191    HA   ALA  26           HA       ALA  26  -2.093  -8.206   3.248
  192   1HB   ALA  26          3HB       ALA  26   0.462  -6.588   3.379
  193   2HB   ALA  26          2HB       ALA  26   0.209  -7.912   2.243
  194   3HB   ALA  26          1HB       ALA  26  -0.814  -6.478   2.167
  195    H    SER  27           HN       SER  27  -0.118  -7.738   6.099
  196    HA   SER  27           HA       SER  27   1.491 -10.091   5.938
  197   1HB   SER  27          2HB       SER  27   2.096  -8.541   7.621
  198   2HB   SER  27          1HB       SER  27   0.453  -8.448   8.248
  199    HG   SER  27           HG       SER  27   1.781  -9.747   9.567
  200    H    LYS  28           HN       LYS  28  -1.776  -9.567   7.232
  201    HA   LYS  28           HA       LYS  28  -2.120 -12.244   8.235
  202   1HB   LYS  28          2HB       LYS  28  -4.239 -10.272   7.324
  203   2HB   LYS  28          1HB       LYS  28  -4.496 -11.670   8.369
  204   1HG   LYS  28          2HG       LYS  28  -2.559  -9.452   9.064
  205   2HG   LYS  28          1HG       LYS  28  -4.250  -9.428   9.564
  206   1HD   LYS  28          2HD       LYS  28  -2.753 -11.942  10.100
  207   2HD   LYS  28          1HD       LYS  28  -2.304 -10.540  11.070
  208   1HE   LYS  28          2HE       LYS  28  -4.950 -10.297  11.288
  209   2HE   LYS  28          1HE       LYS  28  -4.890 -12.032  10.979
  210   1HZ   LYS  28          2HZ       LYS  28  -3.044 -11.978  12.769
  211   2HZ   LYS  28          1HZ       LYS  28  -3.762 -10.507  13.226
  212   3HZ   LYS  28          3HZ       LYS  28  -4.673 -11.937  13.251
  213    H    TYR  29           HN       TYR  29  -2.447 -10.799   5.058
  214    HA   TYR  29           HA       TYR  29  -3.884 -13.155   4.007
  215   1HB   TYR  29          2HB       TYR  29  -2.887 -10.621   2.660
  216   2HB   TYR  29          1HB       TYR  29  -3.776 -11.906   1.838
  217    HD1  TYR  29          2HD       TYR  29  -6.098 -12.499   2.585
  218    HD2  TYR  29          1HD       TYR  29  -4.019  -9.051   4.082
  219    HE1  TYR  29          2HE       TYR  29  -8.240 -11.569   3.415
  220    HE2  TYR  29          1HE       TYR  29  -6.163  -8.122   4.916
  221    HH   TYR  29           HH       TYR  29  -8.972  -9.957   5.194
  222    H    ASP  30           HN       ASP  30  -2.871 -14.857   3.102
  223    HA   ASP  30           HA       ASP  30   0.008 -15.050   3.094
  224   1HB   ASP  30          2HB       ASP  30  -2.016 -16.859   1.742
  225   2HB   ASP  30          1HB       ASP  30  -0.346 -17.269   2.140
  226    H    ALA  31           HN       ALA  31  -2.336 -14.051   0.708
  227    HA   ALA  31           HA       ALA  31  -0.934 -14.580  -1.692
  228   1HB   ALA  31          2HB       ALA  31  -2.988 -12.610  -0.823
  229   2HB   ALA  31          1HB       ALA  31  -2.109 -12.233  -2.303
  230   3HB   ALA  31          3HB       ALA  31  -3.015 -13.740  -2.176
  231    H    ASP  32           HN       ASP  32   0.626 -13.398  -2.856
  232    HA   ASP  32           HA       ASP  32   2.341 -11.654  -1.204
  233   1HB   ASP  32          2HB       ASP  32   2.653 -12.995  -3.890
  234   2HB   ASP  32          1HB       ASP  32   3.780 -11.748  -3.359
  235    H    VAL  33           HN       VAL  33   1.098  -9.741  -1.101
  236    HA   VAL  33           HA       VAL  33   0.295  -8.433  -3.623
  237    HB   VAL  33           HB       VAL  33  -0.748  -6.750  -2.158
  238   1HG1  VAL  33          1HG1      VAL  33  -1.406  -9.523  -2.266
  239   2HG1  VAL  33          3HG1      VAL  33  -1.737  -8.980  -0.619
  240   3HG1  VAL  33          2HG1      VAL  33  -2.492  -8.164  -1.990
  241   1HG2  VAL  33          2HG2      VAL  33   1.051  -7.998  -0.183
  242   2HG2  VAL  33          1HG2      VAL  33   0.360  -6.379  -0.206
  243   3HG2  VAL  33          3HG2      VAL  33  -0.585  -7.732   0.414
  244    H    ASN  34           HN       ASN  34   1.836  -7.313  -4.698
  245    HA   ASN  34           HA       ASN  34   4.008  -6.004  -3.124
  246   1HB   ASN  34          2HB       ASN  34   3.893  -6.619  -6.093
  247   2HB   ASN  34          1HB       ASN  34   5.288  -6.005  -5.205
  248   1HD2  ASN  34          2HD2      ASN  34   5.367  -9.812  -5.512
  249   2HD2  ASN  34          1HD2      ASN  34   5.071  -8.605  -6.669
  250    H    LEU  35           HN       LEU  35   4.265  -3.800  -3.208
  251    HA   LEU  35           HA       LEU  35   2.192  -2.264  -4.695
  252   1HB   LEU  35          2HB       LEU  35   2.430  -1.888  -2.237
  253   2HB   LEU  35          1HB       LEU  35   4.083  -1.341  -2.508
  254    HG   LEU  35           HG       LEU  35   2.183   0.014  -4.278
  255   1HD1  LEU  35          2HD1      LEU  35   1.630  -0.117  -1.348
  256   2HD1  LEU  35          1HD1      LEU  35   1.482   1.455  -2.133
  257   3HD1  LEU  35          3HD1      LEU  35   0.512   0.094  -2.695
  258   1HD2  LEU  35          2HD2      LEU  35   4.428   0.676  -2.410
  259   2HD2  LEU  35          1HD2      LEU  35   4.226   1.093  -4.111
  260   3HD2  LEU  35          3HD2      LEU  35   3.329   1.974  -2.875
  261    H    GLU  36           HN       GLU  36   2.860  -1.485  -6.640
  262    HA   GLU  36           HA       GLU  36   5.738  -1.131  -7.182
  263   1HB   GLU  36          2HB       GLU  36   4.172  -2.211  -8.836
  264   2HB   GLU  36          1HB       GLU  36   3.392  -0.641  -9.034
  265   1HG   GLU  36          2HG       GLU  36   5.223   0.292 -10.103
  266   2HG   GLU  36          1HG       GLU  36   6.369  -0.791  -9.310
  267    H    TYR  37           HN       TYR  37   6.710   0.860  -7.606
  268    HA   TYR  37           HA       TYR  37   4.995   3.287  -7.331
  269   1HB   TYR  37          2HB       TYR  37   6.119   2.869  -5.166
  270   2HB   TYR  37          1HB       TYR  37   7.680   2.848  -5.980
  271    HD1  TYR  37          1HD       TYR  37   4.762   5.125  -6.583
  272    HD2  TYR  37          2HD       TYR  37   8.795   4.750  -5.143
  273    HE1  TYR  37          1HE       TYR  37   4.918   7.592  -6.370
  274    HE2  TYR  37          2HE       TYR  37   8.950   7.216  -4.936
  275    HH   TYR  37           HH       TYR  37   7.852   9.215  -5.934
  276    H    ASN  38           HN       ASN  38   5.334   2.935  -9.767
  277    HA   ASN  38           HA       ASN  38   6.361   3.559 -11.783
  278   1HB   ASN  38          2HB       ASN  38   6.132   5.747 -10.261
  279   2HB   ASN  38          1HB       ASN  38   7.892   5.695 -10.371
  280   1HD2  ASN  38          2HD2      ASN  38   7.918   6.912 -13.668
  281   2HD2  ASN  38          1HD2      ASN  38   8.779   6.601 -12.239
  282    H    GLY  39           HN       GLY  39   7.691   1.427 -11.153
  283   1HA   GLY  39          2HA       GLY  39   9.799   0.562 -11.942
  284   2HA   GLY  39          1HA       GLY  39  10.527   2.128 -11.604
  285    H    LYS  40           HN       LYS  40   9.527   2.443  -8.933
  286    HA   LYS  40           HA       LYS  40  11.375   0.600  -7.547
  287   1HB   LYS  40          2HB       LYS  40   9.789   2.997  -6.579
  288   2HB   LYS  40          1HB       LYS  40  10.888   2.061  -5.567
  289   1HG   LYS  40          2HG       LYS  40  12.039   2.955  -8.142
  290   2HG   LYS  40          1HG       LYS  40  11.635   4.257  -7.023
  291   1HD   LYS  40          2HD       LYS  40  13.919   3.544  -6.593
  292   2HD   LYS  40          1HD       LYS  40  12.907   3.049  -5.235
  293   1HE   LYS  40          2HE       LYS  40  12.972   0.799  -5.831
  294   2HE   LYS  40          1HE       LYS  40  13.310   1.153  -7.526
  295   1HZ   LYS  40          3HZ       LYS  40  15.261   1.894  -5.450
  296   2HZ   LYS  40          2HZ       LYS  40  15.195   0.293  -6.014
  297   3HZ   LYS  40          1HZ       LYS  40  15.519   1.563  -7.094
  298    H    THR  41           HN       THR  41  10.199  -1.367  -7.600
  299    HA   THR  41           HA       THR  41   7.509  -1.393  -6.357
  300    HB   THR  41           HB       THR  41   9.061  -3.687  -7.583
  301    HG1  THR  41           HG1      THR  41   8.430  -2.964  -9.437
  302   1HG2  THR  41          3HG2      THR  41   6.931  -3.865  -5.954
  303   2HG2  THR  41          2HG2      THR  41   6.089  -3.567  -7.474
  304   3HG2  THR  41          1HG2      THR  41   7.166  -4.956  -7.319
  305    H    VAL  42           HN       VAL  42   7.501  -1.541  -4.185
  306    HA   VAL  42           HA       VAL  42   9.568  -3.259  -2.872
  307    HB   VAL  42           HB       VAL  42   8.724  -1.977  -0.755
  308   1HG1  VAL  42          2HG1      VAL  42  10.648  -1.216  -2.861
  309   2HG1  VAL  42          1HG1      VAL  42  10.227   0.075  -1.737
  310   3HG1  VAL  42          3HG1      VAL  42  10.893  -1.440  -1.128
  311   1HG2  VAL  42          1HG2      VAL  42   6.817  -0.869  -1.916
  312   2HG2  VAL  42          3HG2      VAL  42   7.929   0.299  -1.203
  313   3HG2  VAL  42          2HG2      VAL  42   7.965  -0.006  -2.939
  314    H    ASN  43           HN       ASN  43   8.855  -4.792  -1.339
  315    HA   ASN  43           HA       ASN  43   6.281  -5.967  -1.838
  316   1HB   ASN  43          2HB       ASN  43   8.474  -7.031  -0.862
  317   2HB   ASN  43          1HB       ASN  43   7.834  -6.483   0.688
  318   1HD2  ASN  43          2HD2      ASN  43   6.145  -9.617   0.715
  319   2HD2  ASN  43          1HD2      ASN  43   7.429  -8.723   1.373
  320    H    LEU  44           HN       LEU  44   4.364  -5.808  -0.651
  321    HA   LEU  44           HA       LEU  44   3.779  -3.397   0.718
  322   1HB   LEU  44          2HB       LEU  44   2.190  -5.199  -0.310
  323   2HB   LEU  44          1HB       LEU  44   2.301  -5.976   1.264
  324    HG   LEU  44           HG       LEU  44   0.314  -4.472   1.035
  325   1HD1  LEU  44          2HD1      LEU  44   1.920  -4.854   3.188
  326   2HD1  LEU  44          1HD1      LEU  44   1.937  -3.093   3.083
  327   3HD1  LEU  44          3HD1      LEU  44   0.406  -3.952   3.236
  328   1HD2  LEU  44          2HD2      LEU  44   1.604  -2.758  -0.383
  329   2HD2  LEU  44          1HD2      LEU  44   0.534  -2.105   0.859
  330   3HD2  LEU  44          3HD2      LEU  44   2.275  -2.169   1.137
  331    H    LYS  45           HN       LYS  45   5.076  -6.438   1.879
  332    HA   LYS  45           HA       LYS  45   4.834  -5.595   4.705
  333   1HB   LYS  45          2HB       LYS  45   6.140  -8.072   3.532
  334   2HB   LYS  45          1HB       LYS  45   5.744  -7.799   5.229
  335   1HG   LYS  45          2HG       LYS  45   3.865  -8.985   4.631
  336   2HG   LYS  45          1HG       LYS  45   3.312  -7.374   4.171
  337   1HD   LYS  45          2HD       LYS  45   3.557  -7.782   1.912
  338   2HD   LYS  45          1HD       LYS  45   4.871  -8.933   2.157
  339   1HE   LYS  45          2HE       LYS  45   2.094  -9.584   3.114
  340   2HE   LYS  45          1HE       LYS  45   2.535  -9.839   1.425
  341   1HZ   LYS  45          1HZ       LYS  45   4.575 -11.018   2.451
  342   2HZ   LYS  45          3HZ       LYS  45   3.609 -11.133   3.839
  343   3HZ   LYS  45          2HZ       LYS  45   3.089 -11.838   2.384
  344    H    SER  46           HN       SER  46   6.271  -3.687   3.719
  345    HA   SER  46           HA       SER  46   9.033  -4.225   4.631
  346   1HB   SER  46          2HB       SER  46   8.674  -4.441   1.990
  347   2HB   SER  46          1HB       SER  46   8.767  -2.684   2.073
  348    HG   SER  46           HG       SER  46  10.699  -4.620   2.552
  349    H    ILE  47           HN       ILE  47   8.437  -2.848   6.383
  350    HA   ILE  47           HA       ILE  47   7.332  -0.210   5.970
  351    HB   ILE  47           HB       ILE  47   8.850  -1.236   8.380
  352   1HG1  ILE  47          2HG1      ILE  47   5.901  -1.424   7.655
  353   2HG1  ILE  47          1HG1      ILE  47   7.024  -2.775   7.777
  354   1HG2  ILE  47          3HG2      ILE  47   8.164   1.300   7.926
  355   2HG2  ILE  47          2HG2      ILE  47   6.582   0.723   8.449
  356   3HG2  ILE  47          1HG2      ILE  47   7.971   0.583   9.526
  357   1HD1  ILE  47          3HD1      ILE  47   7.409  -1.759  10.215
  358   2HD1  ILE  47          2HD1      ILE  47   5.778  -1.147   9.947
  359   3HD1  ILE  47          1HD1      ILE  47   6.090  -2.882   9.884
  360    H    MET  48           HN       MET  48  10.625  -1.450   6.482
  361    HA   MET  48           HA       MET  48  11.806   1.223   6.451
  362   1HB   MET  48          2HB       MET  48  12.745  -0.902   7.589
  363   2HB   MET  48          1HB       MET  48  13.297  -1.358   5.977
  364   1HG   MET  48          2HG       MET  48  13.903   1.405   6.956
  365   2HG   MET  48          1HG       MET  48  14.855   0.061   7.589
  366   1HE   MET  48          1HE       MET  48  15.858   2.553   5.980
  367   2HE   MET  48          3HE       MET  48  16.084   2.363   4.236
  368   3HE   MET  48          2HE       MET  48  14.471   2.619   4.896
  369    H    GLY  49           HN       GLY  49  11.152  -1.312   4.109
  370   1HA   GLY  49          2HA       GLY  49  12.868  -0.335   2.018
  371   2HA   GLY  49          1HA       GLY  49  11.477  -1.395   1.785
  372    H    VAL  50           HN       VAL  50   9.472   0.314   2.861
  373    HA   VAL  50           HA       VAL  50   8.854   1.923   0.580
  374    HB   VAL  50           HB       VAL  50   7.725   2.133   3.390
  375   1HG1  VAL  50          2HG1      VAL  50   6.988   3.282   0.732
  376   2HG1  VAL  50          1HG1      VAL  50   5.677   2.765   1.791
  377   3HG1  VAL  50          3HG1      VAL  50   6.827   3.985   2.340
  378   1HG2  VAL  50          1HG2      VAL  50   7.723  -0.117   1.876
  379   2HG2  VAL  50          3HG2      VAL  50   6.390   0.320   2.944
  380   3HG2  VAL  50          2HG2      VAL  50   6.295   0.683   1.222
  381    H    VAL  51           HN       VAL  51  10.568   2.615   3.564
  382    HA   VAL  51           HA       VAL  51  10.442   5.496   3.362
  383    HB   VAL  51           HB       VAL  51  12.577   3.822   4.715
  384   1HG1  VAL  51          1HG1      VAL  51  11.705   6.693   4.820
  385   2HG1  VAL  51          3HG1      VAL  51  12.384   5.945   6.266
  386   3HG1  VAL  51          2HG1      VAL  51  13.337   6.026   4.783
  387   1HG2  VAL  51          3HG2      VAL  51   9.733   4.338   5.378
  388   2HG2  VAL  51          2HG2      VAL  51  10.788   3.024   5.894
  389   3HG2  VAL  51          1HG2      VAL  51  10.872   4.589   6.701
  390    H    SER  52           HN       SER  52  12.550   3.020   2.024
  391    HA   SER  52           HA       SER  52  14.702   4.710   1.193
  392   1HB   SER  52          2HB       SER  52  15.363   2.897  -0.229
  393   2HB   SER  52          1HB       SER  52  14.662   2.164   1.211
  394    HG   SER  52           HG       SER  52  13.552   1.161  -0.312
  395    H    LEU  53           HN       LEU  53  11.662   3.783  -0.404
  396    HA   LEU  53           HA       LEU  53  12.184   5.059  -2.910
  397   1HB   LEU  53          2HB       LEU  53   9.718   4.179  -1.445
  398   2HB   LEU  53          1HB       LEU  53   9.541   5.204  -2.870
  399    HG   LEU  53           HG       LEU  53  10.931   3.586  -4.164
  400   1HD1  LEU  53          1HD1      LEU  53  10.846   2.115  -1.524
  401   2HD1  LEU  53          3HD1      LEU  53  11.147   1.279  -3.047
  402   3HD1  LEU  53          2HD1      LEU  53  12.258   2.533  -2.494
  403   1HD2  LEU  53          2HD2      LEU  53   8.305   3.471  -3.689
  404   2HD2  LEU  53          1HD2      LEU  53   9.119   2.224  -4.633
  405   3HD2  LEU  53          3HD2      LEU  53   8.757   1.945  -2.928
  406    H    GLY  54           HN       GLY  54  10.949   6.261   0.166
  407   1HA   GLY  54          2HA       GLY  54  10.625   8.456   0.926
  408   2HA   GLY  54          1HA       GLY  54  11.659   8.972  -0.406
  409    H    ILE  55           HN       ILE  55   8.412   7.476  -0.173
  410    HA   ILE  55           HA       ILE  55   7.451   9.008  -2.457
  411    HB   ILE  55           HB       ILE  55   5.835   7.436  -0.427
  412   1HG1  ILE  55          2HG1      ILE  55   6.954   6.466  -3.071
  413   2HG1  ILE  55          1HG1      ILE  55   7.735   6.152  -1.522
  414   1HG2  ILE  55          3HG2      ILE  55   4.691   9.044  -2.067
  415   2HG2  ILE  55          2HG2      ILE  55   5.241   7.961  -3.345
  416   3HG2  ILE  55          1HG2      ILE  55   4.140   7.370  -2.100
  417   1HD1  ILE  55          2HD1      ILE  55   5.641   5.070  -0.719
  418   2HD1  ILE  55          1HD1      ILE  55   4.929   5.317  -2.314
  419   3HD1  ILE  55          3HD1      ILE  55   6.321   4.250  -2.124
  420    H    ALA  56           HN       ALA  56   5.967  10.728  -2.416
  421    HA   ALA  56           HA       ALA  56   5.500  11.983   0.254
  422   1HB   ALA  56          1HB       ALA  56   7.284  12.936  -1.614
  423   2HB   ALA  56          3HB       ALA  56   5.828  13.855  -1.994
  424   3HB   ALA  56          2HB       ALA  56   6.510  13.918  -0.368
  425    H    LYS  57           HN       LYS  57   3.989  14.138  -0.563
  426    HA   LYS  57           HA       LYS  57   1.472  12.843  -1.278
  427   1HB   LYS  57          2HB       LYS  57   0.539  15.152  -1.043
  428   2HB   LYS  57          1HB       LYS  57   1.454  14.637   0.373
  429   1HG   LYS  57          2HG       LYS  57   3.320  15.979  -0.202
  430   2HG   LYS  57          1HG       LYS  57   2.756  16.197  -1.860
  431   1HD   LYS  57          2HD       LYS  57   1.056  17.159   0.422
  432   2HD   LYS  57          1HD       LYS  57   2.420  18.136  -0.121
  433   1HE   LYS  57          2HE       LYS  57   1.279  17.519  -2.513
  434   2HE   LYS  57          1HE       LYS  57  -0.148  17.560  -1.479
  435   1HZ   LYS  57          3HZ       LYS  57   0.915  19.742  -0.626
  436   2HZ   LYS  57          2HZ       LYS  57   1.759  19.708  -2.099
  437   3HZ   LYS  57          1HZ       LYS  57   0.061  19.747  -2.091
  438    H    GLY  58           HN       GLY  58   0.219  13.308  -3.159
  439   1HA   GLY  58          2HA       GLY  58  -0.170  14.037  -5.377
  440   2HA   GLY  58          1HA       GLY  58   1.315  14.988  -5.289
  441    H    ALA  59           HN       ALA  59   0.561  11.495  -5.016
  442    HA   ALA  59           HA       ALA  59   2.377  10.982  -7.310
  443   1HB   ALA  59          1HB       ALA  59   2.720   9.963  -4.495
  444   2HB   ALA  59          3HB       ALA  59   3.299   9.015  -5.864
  445   3HB   ALA  59          2HB       ALA  59   3.935  10.635  -5.583
  446    H    GLU  60           HN       GLU  60   2.311   8.398  -7.632
  447    HA   GLU  60           HA       GLU  60  -0.500   7.478  -7.213
  448   1HB   GLU  60          2HB       GLU  60   1.114   7.388  -9.779
  449   2HB   GLU  60          1HB       GLU  60  -0.391   6.500  -9.534
  450   1HG   GLU  60          2HG       GLU  60  -1.248   8.915  -8.771
  451   2HG   GLU  60          1HG       GLU  60   0.049   9.436  -9.848
  452    H    ILE  61           HN       ILE  61  -0.645   5.344  -6.592
  453    HA   ILE  61           HA       ILE  61   1.868   3.721  -6.698
  454    HB   ILE  61           HB       ILE  61   1.104   2.686  -4.548
  455   1HG1  ILE  61          2HG1      ILE  61  -0.889   4.976  -4.542
  456   2HG1  ILE  61          1HG1      ILE  61  -1.312   3.294  -4.865
  457   1HG2  ILE  61          2HG2      ILE  61   1.804   5.579  -4.841
  458   2HG2  ILE  61          1HG2      ILE  61   1.390   4.982  -3.235
  459   3HG2  ILE  61          3HG2      ILE  61   2.737   4.268  -4.120
  460   1HD1  ILE  61          3HD1      ILE  61  -0.024   2.881  -2.583
  461   2HD1  ILE  61          2HD1      ILE  61  -0.442   4.571  -2.300
  462   3HD1  ILE  61          1HD1      ILE  61  -1.715   3.383  -2.584
  463    H    THR  62           HN       THR  62   1.438   1.349  -6.654
  464    HA   THR  62           HA       THR  62  -1.258   0.604  -7.687
  465    HB   THR  62           HB       THR  62   1.331  -0.400  -8.902
  466    HG1  THR  62           HG1      THR  62   1.326   1.542  -9.730
  467   1HG2  THR  62          2HG2      THR  62  -1.595  -0.796  -9.399
  468   2HG2  THR  62          1HG2      THR  62  -0.490  -0.844 -10.771
  469   3HG2  THR  62          3HG2      THR  62  -0.284  -1.975  -9.434
  470    H    ILE  63           HN       ILE  63  -1.635  -1.774  -7.492
  471    HA   ILE  63           HA       ILE  63   0.200  -3.198  -5.658
  472    HB   ILE  63           HB       ILE  63  -2.745  -2.802  -5.053
  473   1HG1  ILE  63          2HG1      ILE  63  -0.236  -1.607  -3.830
  474   2HG1  ILE  63          1HG1      ILE  63  -1.506  -0.735  -4.676
  475   1HG2  ILE  63          1HG2      ILE  63  -0.491  -4.253  -3.630
  476   2HG2  ILE  63          3HG2      ILE  63  -2.040  -3.884  -2.869
  477   3HG2  ILE  63          2HG2      ILE  63  -1.978  -4.954  -4.270
  478   1HD1  ILE  63          1HD1      ILE  63  -2.883  -2.103  -2.681
  479   2HD1  ILE  63          3HD1      ILE  63  -1.396  -1.588  -1.886
  480   3HD1  ILE  63          2HD1      ILE  63  -2.444  -0.395  -2.651
  481    H    SER  64           HN       SER  64  -0.093  -5.486  -5.710
  482    HA   SER  64           HA       SER  64  -2.167  -6.600  -7.492
  483   1HB   SER  64          2HB       SER  64  -0.244  -7.921  -8.661
  484   2HB   SER  64          1HB       SER  64  -0.569  -6.269  -9.180
  485    HG   SER  64           HG       SER  64   1.622  -7.332  -7.944
  486    H    ALA  65           HN       ALA  65  -2.989  -8.074  -6.067
  487    HA   ALA  65           HA       ALA  65  -1.189  -9.562  -4.251
  488   1HB   ALA  65          2HB       ALA  65  -3.519  -8.595  -3.640
  489   2HB   ALA  65          1HB       ALA  65  -4.166  -9.978  -4.522
  490   3HB   ALA  65          3HB       ALA  65  -3.145 -10.234  -3.108
  491    H    SER  66           HN       SER  66  -0.507 -11.626  -4.688
  492    HA   SER  66           HA       SER  66  -1.968 -13.183  -6.777
  493   1HB   SER  66          2HB       SER  66   0.658 -12.068  -7.006
  494   2HB   SER  66          1HB       SER  66   0.816 -13.820  -6.929
  495    HG   SER  66           HG       SER  66   0.262 -13.694  -8.958
  496    H    GLY  67           HN       GLY  67  -2.832 -14.742  -5.439
  497   1HA   GLY  67          2HA       GLY  67  -1.248 -16.891  -4.511
  498   2HA   GLY  67          1HA       GLY  67  -1.541 -15.836  -3.129
  499    H    ALA  68           HN       ALA  68  -2.987 -17.141  -2.003
  500    HA   ALA  68           HA       ALA  68  -5.288 -18.346  -3.377
  501   1HB   ALA  68          2HB       ALA  68  -4.281 -18.314  -0.538
  502   2HB   ALA  68          1HB       ALA  68  -5.899 -18.907  -0.910
  503   3HB   ALA  68          3HB       ALA  68  -4.488 -19.691  -1.618
  504    H    ASP  69           HN       ASP  69  -4.931 -16.033  -0.661
  505    HA   ASP  69           HA       ASP  69  -7.660 -15.017  -1.246
  506   1HB   ASP  69          2HB       ASP  69  -7.343 -13.763   0.916
  507   2HB   ASP  69          1HB       ASP  69  -7.246 -15.515   1.089
  508    H    GLU  70           HN       GLU  70  -5.903 -14.352  -3.237
  509    HA   GLU  70           HA       GLU  70  -4.514 -11.866  -2.842
  510   1HB   GLU  70          2HB       GLU  70  -4.599 -11.730  -5.355
  511   2HB   GLU  70          1HB       GLU  70  -3.953 -13.251  -4.745
  512   1HG   GLU  70          2HG       GLU  70  -5.963 -14.422  -5.218
  513   2HG   GLU  70          1HG       GLU  70  -6.880 -12.928  -5.413
  514    H    ASN  71           HN       ASN  71  -7.851 -12.668  -3.575
  515    HA   ASN  71           HA       ASN  71  -8.583  -9.962  -4.382
  516   1HB   ASN  71          2HB       ASN  71 -10.241 -12.372  -3.581
  517   2HB   ASN  71          1HB       ASN  71 -10.927 -10.854  -4.161
  518   1HD2  ASN  71          2HD2      ASN  71  -9.753 -11.340  -7.535
  519   2HD2  ASN  71          1HD2      ASN  71 -10.099 -10.129  -6.396
  520    H    ASP  72           HN       ASP  72  -8.693 -11.861  -1.398
  521    HA   ASP  72           HA       ASP  72 -10.175  -9.846   0.090
  522   1HB   ASP  72          2HB       ASP  72  -8.482 -12.139   1.120
  523   2HB   ASP  72          1HB       ASP  72  -9.677 -11.230   2.044
  524    H    ALA  73           HN       ALA  73  -6.832 -10.312  -0.738
  525    HA   ALA  73           HA       ALA  73  -5.805  -8.705   1.478
  526   1HB   ALA  73          2HB       ALA  73  -4.550  -9.796  -1.047
  527   2HB   ALA  73          1HB       ALA  73  -3.669  -8.787   0.100
  528   3HB   ALA  73          3HB       ALA  73  -4.305 -10.351   0.610
  529    H    LEU  74           HN       LEU  74  -6.347  -8.191  -2.024
  530    HA   LEU  74           HA       LEU  74  -5.313  -5.524  -2.049
  531   1HB   LEU  74          2HB       LEU  74  -6.426  -5.281  -4.210
  532   2HB   LEU  74          1HB       LEU  74  -5.655  -6.859  -4.103
  533    HG   LEU  74           HG       LEU  74  -8.046  -7.584  -3.195
  534   1HD1  LEU  74          3HD1      LEU  74  -8.540  -4.910  -3.782
  535   2HD1  LEU  74          2HD1      LEU  74  -9.145  -5.748  -5.212
  536   3HD1  LEU  74          1HD1      LEU  74  -9.770  -6.163  -3.616
  537   1HD2  LEU  74          2HD2      LEU  74  -6.899  -8.473  -5.196
  538   2HD2  LEU  74          1HD2      LEU  74  -8.618  -8.225  -5.505
  539   3HD2  LEU  74          3HD2      LEU  74  -7.435  -7.071  -6.122
  540    H    ASN  75           HN       ASN  75  -8.626  -6.748  -1.560
  541    HA   ASN  75           HA       ASN  75  -9.693  -4.045  -1.273
  542   1HB   ASN  75          2HB       ASN  75 -11.770  -5.259  -0.482
  543   2HB   ASN  75          1HB       ASN  75 -11.228  -5.690  -2.101
  544   1HD2  ASN  75          2HD2      ASN  75 -11.719  -8.999  -0.801
  545   2HD2  ASN  75          1HD2      ASN  75 -12.488  -7.755  -1.659
  546    H    ALA  76           HN       ALA  76  -8.151  -6.339   0.812
  547    HA   ALA  76           HA       ALA  76  -9.277  -5.456   3.311
  548   1HB   ALA  76          2HB       ALA  76  -6.701  -6.845   2.552
  549   2HB   ALA  76          1HB       ALA  76  -7.058  -6.403   4.222
  550   3HB   ALA  76          3HB       ALA  76  -8.110  -7.529   3.362
  551    H    LEU  77           HN       LEU  77  -6.175  -4.691   1.687
  552    HA   LEU  77           HA       LEU  77  -5.479  -2.577   3.502
  553   1HB   LEU  77          2HB       LEU  77  -4.606  -2.886   0.620
  554   2HB   LEU  77          1HB       LEU  77  -3.767  -1.998   1.891
  555    HG   LEU  77           HG       LEU  77  -4.271  -4.712   2.774
  556   1HD1  LEU  77          1HD1      LEU  77  -4.111  -4.808   0.114
  557   2HD1  LEU  77          3HD1      LEU  77  -2.386  -4.713   0.464
  558   3HD1  LEU  77          2HD1      LEU  77  -3.350  -6.031   1.131
  559   1HD2  LEU  77          3HD2      LEU  77  -1.751  -3.141   2.148
  560   2HD2  LEU  77          2HD2      LEU  77  -2.550  -3.263   3.715
  561   3HD2  LEU  77          1HD2      LEU  77  -1.783  -4.683   3.003
  562    H    GLU  78           HN       GLU  78  -7.413  -2.701   0.554
  563    HA   GLU  78           HA       GLU  78  -7.487   0.076  -0.057
  564   1HB   GLU  78          2HB       GLU  78  -8.389  -1.705  -1.532
  565   2HB   GLU  78          1HB       GLU  78  -9.703  -1.971  -0.390
  566   1HG   GLU  78          2HG       GLU  78  -9.482   0.851  -1.071
  567   2HG   GLU  78          1HG       GLU  78  -9.672  -0.133  -2.520
  568    H    GLU  79           HN       GLU  79  -9.783  -1.818   1.962
  569    HA   GLU  79           HA       GLU  79 -11.356   0.425   2.763
  570   1HB   GLU  79          2HB       GLU  79 -12.071  -1.054   4.656
  571   2HB   GLU  79          1HB       GLU  79 -12.175  -1.839   3.080
  572   1HG   GLU  79          2HG       GLU  79 -10.201  -3.102   3.455
  573   2HG   GLU  79          1HG       GLU  79  -9.733  -2.108   4.836
  574    H    THR  80           HN       THR  80  -8.292  -0.834   3.940
  575    HA   THR  80           HA       THR  80  -8.261   0.618   6.436
  576    HB   THR  80           HB       THR  80  -5.916  -0.290   4.730
  577    HG1  THR  80           HG1      THR  80  -7.480  -1.917   5.412
  578   1HG2  THR  80          1HG2      THR  80  -6.209   0.831   7.483
  579   2HG2  THR  80          3HG2      THR  80  -5.015  -0.442   7.237
  580   3HG2  THR  80          2HG2      THR  80  -4.910   1.055   6.312
  581    H    MET  81           HN       MET  81  -7.397   1.388   3.117
  582    HA   MET  81           HA       MET  81  -6.040   3.870   3.659
  583   1HB   MET  81          2HB       MET  81  -7.456   2.781   1.211
  584   2HB   MET  81          1HB       MET  81  -6.636   4.340   1.220
  585   1HG   MET  81          2HG       MET  81  -4.722   2.697   2.323
  586   2HG   MET  81          1HG       MET  81  -5.502   1.617   1.170
  587   1HE   MET  81          3HE       MET  81  -3.051   1.631   0.793
  588   2HE   MET  81          2HE       MET  81  -2.464   2.325  -0.717
  589   3HE   MET  81          1HE       MET  81  -2.166   3.164   0.804
  590    H    LYS  82           HN       LYS  82  -9.406   2.937   3.329
  591    HA   LYS  82           HA       LYS  82 -10.355   5.710   3.172
  592   1HB   LYS  82          2HB       LYS  82 -11.584   2.989   3.123
  593   2HB   LYS  82          1HB       LYS  82 -12.602   4.337   3.641
  594   1HG   LYS  82          2HG       LYS  82 -12.372   5.464   1.586
  595   2HG   LYS  82          1HG       LYS  82 -10.935   4.545   1.139
  596   1HD   LYS  82          2HD       LYS  82 -13.198   2.768   1.586
  597   2HD   LYS  82          1HD       LYS  82 -13.590   3.993   0.382
  598   1HE   LYS  82          2HE       LYS  82 -11.006   2.433   0.271
  599   2HE   LYS  82          1HE       LYS  82 -12.487   1.834  -0.478
  600   1HZ   LYS  82          3HZ       LYS  82 -12.559   4.182  -1.516
  601   2HZ   LYS  82          2HZ       LYS  82 -10.900   4.219  -1.150
  602   3HZ   LYS  82          1HZ       LYS  82 -11.519   3.017  -2.178
  603    H    SER  83           HN       SER  83  -9.708   3.347   5.659
  604    HA   SER  83           HA       SER  83 -11.424   4.526   7.679
  605   1HB   SER  83          2HB       SER  83 -10.004   3.151   9.252
  606   2HB   SER  83          1HB       SER  83 -10.747   2.225   7.951
  607    HG   SER  83           HG       SER  83  -8.334   2.053   8.470
  608    H    GLU  84           HN       GLU  84  -7.866   4.570   7.225
  609    HA   GLU  84           HA       GLU  84  -7.618   6.792   9.135
  610   1HB   GLU  84          2HB       GLU  84  -5.517   5.504   7.365
  611   2HB   GLU  84          1HB       GLU  84  -5.214   6.582   8.730
  612   1HG   GLU  84          2HG       GLU  84  -6.643   4.820  10.065
  613   2HG   GLU  84          1HG       GLU  84  -6.195   3.744   8.741
  614    H    GLY  85           HN       GLY  85  -7.708   6.319   5.662
  615   1HA   GLY  85          2HA       GLY  85  -8.101   7.993   4.021
  616   2HA   GLY  85          1HA       GLY  85  -7.892   9.224   5.267
  617    H    LEU  86           HN       LEU  86  -5.959   6.734   3.572
  618    HA   LEU  86           HA       LEU  86  -3.617   8.577   3.738
  619   1HB   LEU  86          2HB       LEU  86  -3.793   5.590   3.265
  620   2HB   LEU  86          1HB       LEU  86  -2.294   6.516   3.173
  621    HG   LEU  86           HG       LEU  86  -4.101   6.450   5.606
  622   1HD1  LEU  86          1HD1      LEU  86  -2.929   4.258   4.955
  623   2HD1  LEU  86          3HD1      LEU  86  -1.419   5.097   5.301
  624   3HD1  LEU  86          2HD1      LEU  86  -2.615   4.872   6.577
  625   1HD2  LEU  86          1HD2      LEU  86  -1.562   7.826   4.849
  626   2HD2  LEU  86          3HD2      LEU  86  -2.870   8.380   5.896
  627   3HD2  LEU  86          2HD2      LEU  86  -1.685   7.221   6.502
  628    H    GLY  87           HN       GLY  87  -5.546   6.611   1.504
  629   1HA   GLY  87          2HA       GLY  87  -4.901   8.397  -0.707
  630   2HA   GLY  87          1HA       GLY  87  -4.151   6.808  -0.873
  631    H    GLU  88           HN       GLU  88  -6.166   7.832  -2.642
  632    HA   GLU  88           HA       GLU  88  -8.191   5.696  -2.297
  633   1HB   GLU  88          2HB       GLU  88 -10.013   7.320  -2.879
  634   2HB   GLU  88          1HB       GLU  88  -9.285   7.626  -1.302
  635   1HG   GLU  88          2HG       GLU  88  -7.736   9.273  -2.492
  636   2HG   GLU  88          1HG       GLU  88  -8.798   9.113  -3.890
   
  No H/Q in entry =         636
  Start of MODEL   22
    1   1H    ALA   2          1HT       ALA   2  -5.133 -10.309  -9.173
    2   2H    ALA   2          3HT       ALA   2  -6.666 -10.806  -9.702
    3   3H    ALA   2          2HT       ALA   2  -6.032  -9.318 -10.220
    4    HA   ALA   2           HA       ALA   2  -7.697  -8.961  -8.521
    5   1HB   ALA   2          1HB       ALA   2  -5.850 -10.691  -6.848
    6   2HB   ALA   2          3HB       ALA   2  -7.255  -9.819  -6.236
    7   3HB   ALA   2          2HB       ALA   2  -7.468 -11.132  -7.393
    8    H    GLN   3           HN       GLN   3  -5.754  -7.430  -9.683
    9    HA   GLN   3           HA       GLN   3  -4.142  -6.266  -7.466
   10   1HB   GLN   3          2HB       GLN   3  -3.063  -4.949  -9.317
   11   2HB   GLN   3          1HB       GLN   3  -2.878  -6.693  -9.493
   12   1HG   GLN   3          2HG       GLN   3  -4.494  -6.814 -11.207
   13   2HG   GLN   3          1HG       GLN   3  -5.180  -5.242 -10.792
   14   1HE2  GLN   3          2HE2      GLN   3  -3.198  -3.730 -13.273
   15   2HE2  GLN   3          1HE2      GLN   3  -4.723  -3.883 -12.541
   16    H    LYS   4           HN       LYS   4  -4.210  -3.921  -7.148
   17    HA   LYS   4           HA       LYS   4  -6.545  -2.515  -8.314
   18   1HB   LYS   4          2HB       LYS   4  -6.280  -3.369  -5.475
   19   2HB   LYS   4          1HB       LYS   4  -6.874  -1.732  -5.754
   20   1HG   LYS   4          2HG       LYS   4  -8.362  -3.042  -7.579
   21   2HG   LYS   4          1HG       LYS   4  -8.142  -4.344  -6.408
   22   1HD   LYS   4          2HD       LYS   4 -10.047  -3.308  -5.562
   23   2HD   LYS   4          1HD       LYS   4  -8.783  -2.467  -4.663
   24   1HE   LYS   4          2HE       LYS   4  -9.947  -0.637  -5.453
   25   2HE   LYS   4          1HE       LYS   4  -8.843  -0.873  -6.805
   26   1HZ   LYS   4          2HZ       LYS   4 -10.698  -2.456  -7.636
   27   2HZ   LYS   4          1HZ       LYS   4 -11.693  -1.554  -6.594
   28   3HZ   LYS   4          3HZ       LYS   4 -10.863  -0.779  -7.855
   29    H    THR   5           HN       THR   5  -6.145  -0.342  -8.566
   30    HA   THR   5           HA       THR   5  -3.442   0.605  -7.843
   31    HB   THR   5           HB       THR   5  -5.581   2.132  -9.344
   32    HG1  THR   5           HG1      THR   5  -5.335   0.313 -10.516
   33   1HG2  THR   5          2HG2      THR   5  -2.652   2.393  -8.847
   34   2HG2  THR   5          1HG2      THR   5  -3.255   2.874 -10.433
   35   3HG2  THR   5          3HG2      THR   5  -3.885   3.647  -8.978
   36    H    PHE   6           HN       PHE   6  -3.188   2.734  -6.787
   37    HA   PHE   6           HA       PHE   6  -5.520   3.667  -5.213
   38   1HB   PHE   6          2HB       PHE   6  -2.916   2.661  -4.040
   39   2HB   PHE   6          1HB       PHE   6  -4.054   3.665  -3.141
   40    HD1  PHE   6          2HD       PHE   6  -6.267   2.820  -2.512
   41    HD2  PHE   6          1HD       PHE   6  -3.464   0.359  -4.642
   42    HE1  PHE   6          2HE       PHE   6  -7.618   0.814  -1.974
   43    HE2  PHE   6          1HE       PHE   6  -4.818  -1.648  -4.103
   44    HZ   PHE   6           HZ       PHE   6  -6.897  -1.420  -2.768
   45    H    LYS   7           HN       LYS   7  -5.387   5.860  -4.697
   46    HA   LYS   7           HA       LYS   7  -3.115   7.324  -5.950
   47   1HB   LYS   7          2HB       LYS   7  -5.989   7.879  -5.499
   48   2HB   LYS   7          1HB       LYS   7  -4.918   9.255  -5.232
   49   1HG   LYS   7          2HG       LYS   7  -4.394   7.639  -7.671
   50   2HG   LYS   7          1HG       LYS   7  -5.873   8.599  -7.674
   51   1HD   LYS   7          2HD       LYS   7  -4.162  10.439  -6.690
   52   2HD   LYS   7          1HD       LYS   7  -3.036   9.491  -7.662
   53   1HE   LYS   7          2HE       LYS   7  -3.982  10.144  -9.634
   54   2HE   LYS   7          1HE       LYS   7  -5.617  10.127  -8.972
   55   1HZ   LYS   7          2HZ       LYS   7  -3.610  12.186  -8.255
   56   2HZ   LYS   7          1HZ       LYS   7  -4.699  12.371  -9.546
   57   3HZ   LYS   7          3HZ       LYS   7  -5.283  12.213  -7.961
   58    H    VAL   8           HN       VAL   8  -1.625   8.289  -4.657
   59    HA   VAL   8           HA       VAL   8  -1.982   8.172  -1.737
   60    HB   VAL   8           HB       VAL   8   0.355   9.301  -3.302
   61   1HG1  VAL   8          2HG1      VAL   8  -0.155   9.544  -0.663
   62   2HG1  VAL   8          1HG1      VAL   8   0.629   7.964  -0.658
   63   3HG1  VAL   8          3HG1      VAL   8   1.479   9.369  -1.302
   64   1HG2  VAL   8          1HG2      VAL   8  -0.446   6.489  -2.633
   65   2HG2  VAL   8          3HG2      VAL   8   0.354   7.108  -4.079
   66   3HG2  VAL   8          2HG2      VAL   8   1.265   6.910  -2.582
   67    H    THR   9           HN       THR   9  -2.455   9.913  -0.456
   68    HA   THR   9           HA       THR   9  -2.142  12.657  -1.512
   69    HB   THR   9           HB       THR   9  -4.819  11.789  -0.410
   70    HG1  THR   9           HG1      THR   9  -4.668  10.652  -2.264
   71   1HG2  THR   9          3HG2      THR   9  -3.662  14.223  -1.725
   72   2HG2  THR   9          2HG2      THR   9  -5.379  13.872  -1.926
   73   3HG2  THR   9          1HG2      THR   9  -4.710  14.110  -0.311
   74    H    ALA  10           HN       ALA  10  -1.047  10.946   0.713
   75    HA   ALA  10           HA       ALA  10  -2.155  12.023   3.176
   76   1HB   ALA  10          1HB       ALA  10  -1.059   9.811   3.122
   77   2HB   ALA  10          3HB       ALA  10   0.462  10.578   2.661
   78   3HB   ALA  10          2HB       ALA  10  -0.239  10.893   4.248
   79    H    ASP  11           HN       ASP  11  -1.214  13.635   4.495
   80    HA   ASP  11           HA       ASP  11   0.100  15.794   3.140
   81   1HB   ASP  11          2HB       ASP  11  -0.684  15.168   5.942
   82   2HB   ASP  11          1HB       ASP  11   0.588  16.372   5.732
   83    H    SER  12           HN       SER  12   1.352  13.663   5.740
   84    HA   SER  12           HA       SER  12   4.089  14.495   5.342
   85   1HB   SER  12          2HB       SER  12   4.652  12.813   6.945
   86   2HB   SER  12          1HB       SER  12   3.086  13.441   7.447
   87    HG   SER  12           HG       SER  12   2.824  11.280   7.449
   88    H    GLY  13           HN       GLY  13   2.077  11.933   4.025
   89   1HA   GLY  13          2HA       GLY  13   2.641  11.083   1.770
   90   2HA   GLY  13          1HA       GLY  13   4.343  11.180   2.226
   91    H    ILE  14           HN       ILE  14   4.597   8.911   1.725
   92    HA   ILE  14           HA       ILE  14   3.195   7.043   3.583
   93    HB   ILE  14           HB       ILE  14   4.866   6.364   1.149
   94   1HG1  ILE  14          2HG1      ILE  14   2.914   7.726   0.491
   95   2HG1  ILE  14          1HG1      ILE  14   2.710   6.055  -0.027
   96   1HG2  ILE  14          3HG2      ILE  14   4.512   4.602   2.917
   97   2HG2  ILE  14          2HG2      ILE  14   2.778   4.737   2.622
   98   3HG2  ILE  14          1HG2      ILE  14   3.850   4.180   1.337
   99   1HD1  ILE  14          3HD1      ILE  14   1.608   6.086   2.533
  100   2HD1  ILE  14          2HD1      ILE  14   1.099   7.625   1.838
  101   3HD1  ILE  14          1HD1      ILE  14   0.707   6.115   1.018
  102   1HN   HIP  15           HN       HIP  15   4.567   7.598   5.393
  103    HA   HIP  15           HA       HIP  15   7.413   6.843   5.100
  104   1HB   HIP  15          1HB       HIP  15   7.043   9.037   6.074
  105   2HB   HIP  15          2HB       HIP  15   7.756   7.979   7.269
  106    HD2  HIP  15          2HD       HIP  15   4.049   9.151   6.446
  107    HE2  HIP  15          2HE       HIP  15   2.891   9.426   8.757
  108    HE1  HIP  15          1HE       HIP  15   4.478   8.774  10.617
  109    H    ALA  16           HN       ALA  16   7.948   6.097   7.768
  110    HA   ALA  16           HA       ALA  16   7.355   3.337   7.673
  111   1HB   ALA  16          2HB       ALA  16   9.084   4.854   9.090
  112   2HB   ALA  16          1HB       ALA  16   7.917   4.453  10.350
  113   3HB   ALA  16          3HB       ALA  16   8.732   3.166   9.461
  114    H    ARG  17           HN       ARG  17   5.660   5.866   9.589
  115    HA   ARG  17           HA       ARG  17   4.115   4.076  11.157
  116   1HB   ARG  17          2HB       ARG  17   4.292   6.801  10.990
  117   2HB   ARG  17          1HB       ARG  17   2.676   6.515  10.348
  118   1HG   ARG  17          2HG       ARG  17   2.191   5.095  12.353
  119   2HG   ARG  17          1HG       ARG  17   3.758   5.567  13.012
  120   1HD   ARG  17          2HD       ARG  17   2.415   7.180  13.990
  121   2HD   ARG  17          1HD       ARG  17   2.852   8.012  12.498
  122    HE   ARG  17           HE       ARG  17   0.638   7.271  11.584
  123   1HH1  ARG  17          HH11      ARG  17  -0.031   5.239  13.668
  124   2HH1  ARG  17          HH12      ARG  17  -1.137   6.102  14.683
  125   1HH2  ARG  17          HH21      ARG  17  -0.244   9.219  13.455
  126   2HH2  ARG  17          HH22      ARG  17  -1.258   8.356  14.562
  127    HA   PRO  18           HA       PRO  18   0.648   4.154   7.871
  128   1HB   PRO  18          2HB       PRO  18   1.271   5.091   5.355
  129   2HB   PRO  18          1HB       PRO  18   0.531   6.081   6.625
  130   1HG   PRO  18          2HG       PRO  18   3.370   6.042   5.679
  131   2HG   PRO  18          1HG       PRO  18   2.423   7.391   6.331
  132   1HD   PRO  18          2HD       PRO  18   4.321   5.963   7.778
  133   2HD   PRO  18          1HD       PRO  18   3.013   6.909   8.501
  134    H    ALA  19           HN       ALA  19   3.973   3.493   7.048
  135    HA   ALA  19           HA       ALA  19   3.380   1.408   5.093
  136   1HB   ALA  19          3HB       ALA  19   5.891   2.173   6.606
  137   2HB   ALA  19          2HB       ALA  19   5.831   0.851   5.441
  138   3HB   ALA  19          1HB       ALA  19   5.518   2.504   4.915
  139    H    THR  20           HN       THR  20   3.600   1.632   8.563
  140    HA   THR  20           HA       THR  20   4.012  -1.227   8.990
  141    HB   THR  20           HB       THR  20   2.990   0.761  11.021
  142    HG1  THR  20           HG1      THR  20   4.877   1.664  11.053
  143   1HG2  THR  20          1HG2      THR  20   3.032  -1.649  11.609
  144   2HG2  THR  20          3HG2      THR  20   4.756  -1.691  11.239
  145   3HG2  THR  20          2HG2      THR  20   4.165  -0.712  12.583
  146    H    VAL  21           HN       VAL  21   1.327   1.012   8.716
  147    HA   VAL  21           HA       VAL  21  -0.705  -0.727   9.815
  148    HB   VAL  21           HB       VAL  21  -1.096   1.412   7.729
  149   1HG1  VAL  21          1HG1      VAL  21  -2.995  -0.141   8.361
  150   2HG1  VAL  21          3HG1      VAL  21  -2.900   0.526   9.991
  151   3HG1  VAL  21          2HG1      VAL  21  -3.319   1.571   8.634
  152   1HG2  VAL  21          1HG2      VAL  21  -0.509   1.611  10.668
  153   2HG2  VAL  21          3HG2      VAL  21   0.050   2.642   9.350
  154   3HG2  VAL  21          2HG2      VAL  21  -1.607   2.780   9.936
  155    H    LEU  22           HN       LEU  22   0.534  -0.068   6.591
  156    HA   LEU  22           HA       LEU  22  -1.302  -1.767   5.179
  157   1HB   LEU  22          2HB       LEU  22   1.441  -0.703   4.474
  158   2HB   LEU  22          1HB       LEU  22   0.372  -1.521   3.333
  159    HG   LEU  22           HG       LEU  22  -0.368   0.974   4.895
  160   1HD1  LEU  22          3HD1      LEU  22   0.947   0.520   2.251
  161   2HD1  LEU  22          2HD1      LEU  22  -0.295   1.773   2.323
  162   3HD1  LEU  22          1HD1      LEU  22   1.117   1.871   3.375
  163   1HD2  LEU  22          1HD2      LEU  22  -1.722  -0.672   2.740
  164   2HD2  LEU  22          3HD2      LEU  22  -2.355  -0.221   4.324
  165   3HD2  LEU  22          2HD2      LEU  22  -2.181   1.001   3.064
  166    H    VAL  23           HN       VAL  23   2.129  -2.252   6.126
  167    HA   VAL  23           HA       VAL  23   2.363  -4.912   5.172
  168    HB   VAL  23           HB       VAL  23   4.294  -3.548   5.918
  169   1HG1  VAL  23          1HG1      VAL  23   3.027  -2.652   7.955
  170   2HG1  VAL  23          3HG1      VAL  23   3.439  -4.172   8.749
  171   3HG1  VAL  23          2HG1      VAL  23   4.718  -3.084   8.212
  172   1HG2  VAL  23          2HG2      VAL  23   4.072  -6.217   6.060
  173   2HG2  VAL  23          1HG2      VAL  23   5.536  -5.378   6.571
  174   3HG2  VAL  23          3HG2      VAL  23   4.348  -5.890   7.770
  175    H    GLN  24           HN       GLN  24   0.849  -3.662   8.070
  176    HA   GLN  24           HA       GLN  24   0.694  -6.162   9.507
  177   1HB   GLN  24          2HB       GLN  24  -0.668  -3.494   9.690
  178   2HB   GLN  24          1HB       GLN  24  -1.341  -4.857  10.581
  179   1HG   GLN  24          2HG       GLN  24   1.506  -4.838  10.966
  180   2HG   GLN  24          1HG       GLN  24   0.888  -3.221  11.295
  181   1HE2  GLN  24          2HE2      GLN  24  -0.644  -4.162  14.327
  182   2HE2  GLN  24          1HE2      GLN  24  -0.245  -2.909  13.254
  183    H    THR  25           HN       THR  25  -1.399  -4.531   7.162
  184    HA   THR  25           HA       THR  25  -3.597  -6.400   7.433
  185    HB   THR  25           HB       THR  25  -3.161  -4.863   4.908
  186    HG1  THR  25           HG1      THR  25  -3.776  -3.716   7.426
  187   1HG2  THR  25          1HG2      THR  25  -5.231  -6.265   5.654
  188   2HG2  THR  25          3HG2      THR  25  -5.587  -4.881   6.686
  189   3HG2  THR  25          2HG2      THR  25  -5.497  -4.677   4.937
  190    H    ALA  26           HN       ALA  26  -1.302  -5.886   4.726
  191    HA   ALA  26           HA       ALA  26  -1.972  -8.242   3.301
  192   1HB   ALA  26          3HB       ALA  26   0.486  -6.505   3.393
  193   2HB   ALA  26          2HB       ALA  26   0.460  -7.969   2.410
  194   3HB   ALA  26          1HB       ALA  26  -0.699  -6.677   2.099
  195    H    SER  27           HN       SER  27   0.028  -7.808   6.136
  196    HA   SER  27           HA       SER  27   1.620 -10.166   5.964
  197   1HB   SER  27          2HB       SER  27   2.179  -8.573   7.654
  198   2HB   SER  27          1HB       SER  27   0.548  -8.597   8.318
  199    HG   SER  27           HG       SER  27   2.466 -10.693   8.334
  200    H    LYS  28           HN       LYS  28  -1.661  -9.628   7.193
  201    HA   LYS  28           HA       LYS  28  -2.017 -12.329   8.171
  202   1HB   LYS  28          2HB       LYS  28  -3.772  -9.957   7.690
  203   2HB   LYS  28          1HB       LYS  28  -4.544 -11.537   7.840
  204   1HG   LYS  28          2HG       LYS  28  -4.480 -10.948  10.071
  205   2HG   LYS  28          1HG       LYS  28  -2.903 -11.725   9.939
  206   1HD   LYS  28          2HD       LYS  28  -2.114  -9.305   9.227
  207   2HD   LYS  28          1HD       LYS  28  -3.567  -8.806  10.095
  208   1HE   LYS  28          2HE       LYS  28  -1.295 -10.479  11.206
  209   2HE   LYS  28          1HE       LYS  28  -1.677  -8.812  11.638
  210   1HZ   LYS  28          3HZ       LYS  28  -3.845  -9.584  12.437
  211   2HZ   LYS  28          2HZ       LYS  28  -3.405 -11.187  12.085
  212   3HZ   LYS  28          1HZ       LYS  28  -2.564 -10.314  13.277
  213    H    TYR  29           HN       TYR  29  -2.272 -10.824   5.029
  214    HA   TYR  29           HA       TYR  29  -3.854 -13.060   3.928
  215   1HB   TYR  29          2HB       TYR  29  -2.657 -10.583   2.644
  216   2HB   TYR  29          1HB       TYR  29  -3.582 -11.804   1.766
  217    HD1  TYR  29          2HD       TYR  29  -5.947 -12.346   2.556
  218    HD2  TYR  29          1HD       TYR  29  -3.770  -8.890   3.884
  219    HE1  TYR  29          2HE       TYR  29  -8.066 -11.296   3.296
  220    HE2  TYR  29          1HE       TYR  29  -5.892  -7.841   4.625
  221    HH   TYR  29           HH       TYR  29  -8.672  -9.466   5.114
  222    H    ASP  30           HN       ASP  30  -2.941 -14.826   3.038
  223    HA   ASP  30           HA       ASP  30  -0.073 -15.189   3.033
  224   1HB   ASP  30          2HB       ASP  30  -2.364 -16.836   1.934
  225   2HB   ASP  30          1HB       ASP  30  -0.679 -17.347   1.822
  226    H    ALA  31           HN       ALA  31  -2.368 -14.037   0.673
  227    HA   ALA  31           HA       ALA  31  -0.976 -14.638  -1.731
  228   1HB   ALA  31          3HB       ALA  31  -3.321 -13.446  -1.224
  229   2HB   ALA  31          2HB       ALA  31  -2.347 -11.999  -1.486
  230   3HB   ALA  31          1HB       ALA  31  -2.476 -13.216  -2.755
  231    H    ASP  32           HN       ASP  32   0.626 -13.508  -2.872
  232    HA   ASP  32           HA       ASP  32   2.343 -11.769  -1.217
  233   1HB   ASP  32          2HB       ASP  32   2.733 -12.929  -3.994
  234   2HB   ASP  32          1HB       ASP  32   3.943 -11.997  -3.111
  235    H    VAL  33           HN       VAL  33   1.229  -9.789  -1.168
  236    HA   VAL  33           HA       VAL  33   0.446  -8.533  -3.726
  237    HB   VAL  33           HB       VAL  33  -0.537  -6.775  -2.340
  238   1HG1  VAL  33          2HG1      VAL  33  -1.344  -9.434  -2.367
  239   2HG1  VAL  33          1HG1      VAL  33  -1.381  -9.030  -0.650
  240   3HG1  VAL  33          3HG1      VAL  33  -2.314  -8.074  -1.804
  241   1HG2  VAL  33          3HG2      VAL  33   0.797  -8.227  -0.031
  242   2HG2  VAL  33          2HG2      VAL  33   1.185  -6.608  -0.610
  243   3HG2  VAL  33          1HG2      VAL  33  -0.374  -6.923   0.147
  244    H    ASN  34           HN       ASN  34   1.771  -7.138  -4.797
  245    HA   ASN  34           HA       ASN  34   4.148  -6.082  -3.311
  246   1HB   ASN  34          2HB       ASN  34   3.905  -6.826  -6.240
  247   2HB   ASN  34          1HB       ASN  34   5.339  -6.136  -5.481
  248   1HD2  ASN  34          2HD2      ASN  34   6.468  -9.356  -4.642
  249   2HD2  ASN  34          1HD2      ASN  34   6.832  -7.810  -5.238
  250    H    LEU  35           HN       LEU  35   4.272  -3.915  -3.184
  251    HA   LEU  35           HA       LEU  35   2.402  -2.248  -4.759
  252   1HB   LEU  35          2HB       LEU  35   3.023  -2.028  -2.200
  253   2HB   LEU  35          1HB       LEU  35   4.417  -1.145  -2.821
  254    HG   LEU  35           HG       LEU  35   1.770  -0.418  -3.968
  255   1HD1  LEU  35          1HD1      LEU  35   2.484  -0.165  -1.082
  256   2HD1  LEU  35          3HD1      LEU  35   1.736   1.234  -1.853
  257   3HD1  LEU  35          2HD1      LEU  35   0.897  -0.317  -1.838
  258   1HD2  LEU  35          3HD2      LEU  35   4.320   0.974  -3.133
  259   2HD2  LEU  35          2HD2      LEU  35   3.632   0.830  -4.751
  260   3HD2  LEU  35          1HD2      LEU  35   2.870   1.885  -3.560
  261    H    GLU  36           HN       GLU  36   3.085  -0.999  -6.484
  262    HA   GLU  36           HA       GLU  36   6.017  -1.027  -7.078
  263   1HB   GLU  36          2HB       GLU  36   4.387  -2.204  -8.672
  264   2HB   GLU  36          1HB       GLU  36   3.818  -0.590  -9.102
  265   1HG   GLU  36          2HG       GLU  36   5.907   0.042  -9.992
  266   2HG   GLU  36          1HG       GLU  36   6.756  -1.263  -9.162
  267    H    TYR  37           HN       TYR  37   7.042   0.905  -7.180
  268    HA   TYR  37           HA       TYR  37   5.657   3.348  -7.981
  269   1HB   TYR  37          2HB       TYR  37   5.029   3.121  -5.564
  270   2HB   TYR  37          1HB       TYR  37   6.745   3.165  -5.155
  271    HD1  TYR  37          1HD       TYR  37   4.489   5.082  -7.471
  272    HD2  TYR  37          2HD       TYR  37   7.454   5.233  -4.369
  273    HE1  TYR  37          1HE       TYR  37   4.449   7.562  -7.553
  274    HE2  TYR  37          2HE       TYR  37   7.416   7.711  -4.451
  275    HH   TYR  37           HH       TYR  37   6.591   9.463  -6.662
  276    H    ASN  38           HN       ASN  38   7.127   4.784  -8.830
  277    HA   ASN  38           HA       ASN  38   9.185   5.629  -9.558
  278   1HB   ASN  38          2HB       ASN  38   9.420   5.200  -6.762
  279   2HB   ASN  38          1HB       ASN  38  10.918   4.604  -7.476
  280   1HD2  ASN  38          2HD2      ASN  38  10.349   8.564  -7.178
  281   2HD2  ASN  38          1HD2      ASN  38   9.358   7.424  -6.403
  282    H    GLY  39           HN       GLY  39   8.376   3.023 -10.469
  283   1HA   GLY  39          2HA       GLY  39   9.267   1.210 -11.661
  284   2HA   GLY  39          1HA       GLY  39  10.772   2.126 -11.716
  285    H    LYS  40           HN       LYS  40   9.279   1.233  -8.674
  286    HA   LYS  40           HA       LYS  40  11.403  -0.836  -8.277
  287   1HB   LYS  40          2HB       LYS  40  10.438   1.253  -6.297
  288   2HB   LYS  40          1HB       LYS  40  11.532  -0.074  -5.903
  289   1HG   LYS  40          2HG       LYS  40  12.918   0.862  -7.944
  290   2HG   LYS  40          1HG       LYS  40  12.028   2.347  -7.604
  291   1HD   LYS  40          2HD       LYS  40  12.747   1.884  -5.121
  292   2HD   LYS  40          1HD       LYS  40  13.993   0.882  -5.866
  293   1HE   LYS  40          2HE       LYS  40  13.495   3.827  -6.378
  294   2HE   LYS  40          1HE       LYS  40  14.886   3.120  -5.555
  295   1HZ   LYS  40          1HZ       LYS  40  15.344   1.889  -7.651
  296   2HZ   LYS  40          3HZ       LYS  40  14.134   2.805  -8.407
  297   3HZ   LYS  40          2HZ       LYS  40  15.515   3.574  -7.783
  298    H    THR  41           HN       THR  41  10.313  -2.742  -8.160
  299    HA   THR  41           HA       THR  41   7.570  -2.807  -7.069
  300    HB   THR  41           HB       THR  41   9.220  -5.124  -8.106
  301    HG1  THR  41           HG1      THR  41   9.082  -3.641  -9.742
  302   1HG2  THR  41          3HG2      THR  41   6.929  -5.255  -6.736
  303   2HG2  THR  41          2HG2      THR  41   6.252  -4.906  -8.327
  304   3HG2  THR  41          1HG2      THR  41   7.259  -6.334  -8.091
  305    H    VAL  42           HN       VAL  42   8.028  -2.388  -4.841
  306    HA   VAL  42           HA       VAL  42   9.666  -4.433  -3.425
  307    HB   VAL  42           HB       VAL  42   8.928  -2.888  -1.379
  308   1HG1  VAL  42          3HG1      VAL  42  11.155  -2.812  -3.298
  309   2HG1  VAL  42          2HG1      VAL  42  10.969  -1.342  -2.342
  310   3HG1  VAL  42          1HG1      VAL  42  11.173  -2.897  -1.536
  311   1HG2  VAL  42          3HG2      VAL  42   7.539  -1.489  -3.123
  312   2HG2  VAL  42          2HG2      VAL  42   8.453  -0.655  -1.868
  313   3HG2  VAL  42          1HG2      VAL  42   9.102  -0.767  -3.504
  314    H    ASN  43           HN       ASN  43   8.774  -5.737  -1.809
  315    HA   ASN  43           HA       ASN  43   5.971  -6.430  -2.153
  316   1HB   ASN  43          2HB       ASN  43   8.051  -7.905  -1.407
  317   2HB   ASN  43          1HB       ASN  43   7.592  -7.346   0.201
  318   1HD2  ASN  43          2HD2      ASN  43   5.687 -10.480  -0.418
  319   2HD2  ASN  43          1HD2      ASN  43   7.323 -10.059  -0.247
  320    H    LEU  44           HN       LEU  44   4.314  -6.175  -0.486
  321    HA   LEU  44           HA       LEU  44   4.501  -3.653   0.906
  322   1HB   LEU  44          2HB       LEU  44   2.360  -4.750   0.066
  323   2HB   LEU  44          1HB       LEU  44   2.454  -5.786   1.495
  324    HG   LEU  44           HG       LEU  44   2.830  -3.472   2.732
  325   1HD1  LEU  44          2HD1      LEU  44   1.355  -2.706   0.214
  326   2HD1  LEU  44          1HD1      LEU  44   1.443  -1.701   1.664
  327   3HD1  LEU  44          3HD1      LEU  44   2.914  -2.091   0.772
  328   1HD2  LEU  44          1HD2      LEU  44   0.395  -4.941   1.916
  329   2HD2  LEU  44          3HD2      LEU  44   1.007  -4.557   3.525
  330   3HD2  LEU  44          2HD2      LEU  44   0.144  -3.332   2.592
  331    H    LYS  45           HN       LYS  45   5.726  -6.719   1.709
  332    HA   LYS  45           HA       LYS  45   5.469  -6.311   4.618
  333   1HB   LYS  45          2HB       LYS  45   6.769  -8.453   2.910
  334   2HB   LYS  45          1HB       LYS  45   6.918  -8.417   4.666
  335   1HG   LYS  45          2HG       LYS  45   4.741  -9.038   5.002
  336   2HG   LYS  45          1HG       LYS  45   4.163  -8.145   3.596
  337   1HD   LYS  45          2HD       LYS  45   5.644 -10.038   2.350
  338   2HD   LYS  45          1HD       LYS  45   5.151 -10.939   3.785
  339   1HE   LYS  45          2HE       LYS  45   2.783  -9.840   3.169
  340   2HE   LYS  45          1HE       LYS  45   3.489  -9.868   1.553
  341   1HZ   LYS  45          1HZ       LYS  45   4.035 -12.250   1.980
  342   2HZ   LYS  45          3HZ       LYS  45   3.095 -12.162   3.389
  343   3HZ   LYS  45          2HZ       LYS  45   2.373 -11.914   1.872
  344    H    SER  46           HN       SER  46   6.723  -4.136   3.480
  345    HA   SER  46           HA       SER  46   9.445  -4.387   4.606
  346   1HB   SER  46          2HB       SER  46   9.965  -4.921   2.333
  347   2HB   SER  46          1HB       SER  46   8.892  -3.670   1.709
  348    HG   SER  46           HG       SER  46  11.318  -3.299   1.923
  349    H    ILE  47           HN       ILE  47   8.862  -2.897   6.185
  350    HA   ILE  47           HA       ILE  47   7.530  -0.390   5.534
  351    HB   ILE  47           HB       ILE  47   9.012  -1.136   8.066
  352   1HG1  ILE  47          2HG1      ILE  47   6.122  -1.598   7.233
  353   2HG1  ILE  47          1HG1      ILE  47   7.333  -2.842   7.531
  354   1HG2  ILE  47          3HG2      ILE  47   8.304   1.301   7.520
  355   2HG2  ILE  47          2HG2      ILE  47   6.654   0.724   7.753
  356   3HG2  ILE  47          1HG2      ILE  47   7.815   0.635   9.078
  357   1HD1  ILE  47          2HD1      ILE  47   7.531  -1.734   9.892
  358   2HD1  ILE  47          1HD1      ILE  47   5.951  -1.051   9.511
  359   3HD1  ILE  47          3HD1      ILE  47   6.167  -2.801   9.561
  360    H    MET  48           HN       MET  48  10.859  -1.405   6.218
  361    HA   MET  48           HA       MET  48  11.942   1.289   6.131
  362   1HB   MET  48          2HB       MET  48  13.040  -0.625   7.324
  363   2HB   MET  48          1HB       MET  48  13.383  -1.353   5.754
  364   1HG   MET  48          2HG       MET  48  15.351  -0.192   6.028
  365   2HG   MET  48          1HG       MET  48  14.389   1.084   5.283
  366   1HE   MET  48          2HE       MET  48  16.916   1.673   6.780
  367   2HE   MET  48          1HE       MET  48  15.892   3.006   6.252
  368   3HE   MET  48          3HE       MET  48  16.525   2.973   7.903
  369    H    GLY  49           HN       GLY  49  11.468  -1.323   3.799
  370   1HA   GLY  49          2HA       GLY  49  13.080  -0.278   1.686
  371   2HA   GLY  49          1HA       GLY  49  11.706  -1.361   1.464
  372    H    VAL  50           HN       VAL  50   9.684   0.300   2.573
  373    HA   VAL  50           HA       VAL  50   8.996   1.910   0.315
  374    HB   VAL  50           HB       VAL  50   7.928   2.133   3.147
  375   1HG1  VAL  50          1HG1      VAL  50   6.830   2.943   0.439
  376   2HG1  VAL  50          3HG1      VAL  50   5.866   2.900   1.915
  377   3HG1  VAL  50          2HG1      VAL  50   7.231   4.010   1.785
  378   1HG2  VAL  50          1HG2      VAL  50   7.929  -0.158   1.741
  379   2HG2  VAL  50          3HG2      VAL  50   6.558   0.321   2.742
  380   3HG2  VAL  50          2HG2      VAL  50   6.523   0.606   1.002
  381    H    VAL  51           HN       VAL  51  10.781   2.613   3.251
  382    HA   VAL  51           HA       VAL  51  10.605   5.468   3.189
  383    HB   VAL  51           HB       VAL  51  12.943   3.789   4.145
  384   1HG1  VAL  51          2HG1      VAL  51  12.093   6.638   4.438
  385   2HG1  VAL  51          1HG1      VAL  51  12.836   5.858   5.834
  386   3HG1  VAL  51          3HG1      VAL  51  13.715   5.959   4.308
  387   1HG2  VAL  51          3HG2      VAL  51  10.295   4.500   5.417
  388   2HG2  VAL  51          2HG2      VAL  51  11.049   2.911   5.275
  389   3HG2  VAL  51          1HG2      VAL  51  11.710   4.104   6.393
  390    H    SER  52           HN       SER  52  12.697   3.164   1.517
  391    HA   SER  52           HA       SER  52  14.582   5.045   0.468
  392   1HB   SER  52          2HB       SER  52  15.234   3.303  -1.041
  393   2HB   SER  52          1HB       SER  52  14.762   2.500   0.455
  394    HG   SER  52           HG       SER  52  13.874   1.775  -1.725
  395    H    LEU  53           HN       LEU  53  11.390   3.996  -0.621
  396    HA   LEU  53           HA       LEU  53  11.486   5.217  -3.219
  397   1HB   LEU  53          2HB       LEU  53   9.072   4.708  -1.451
  398   2HB   LEU  53          1HB       LEU  53   9.044   4.998  -3.190
  399    HG   LEU  53           HG       LEU  53  10.631   2.733  -1.976
  400   1HD1  LEU  53          1HD1      LEU  53   8.166   2.602  -1.397
  401   2HD1  LEU  53          3HD1      LEU  53   7.836   2.547  -3.129
  402   3HD1  LEU  53          2HD1      LEU  53   8.769   1.258  -2.367
  403   1HD2  LEU  53          3HD2      LEU  53   9.610   3.444  -4.736
  404   2HD2  LEU  53          2HD2      LEU  53  11.284   3.240  -4.224
  405   3HD2  LEU  53          1HD2      LEU  53  10.219   1.838  -4.335
  406    H    GLY  54           HN       GLY  54   9.836   6.341  -0.239
  407   1HA   GLY  54          2HA       GLY  54   9.707   8.549   0.611
  408   2HA   GLY  54          1HA       GLY  54  10.701   9.094  -0.741
  409    H    ILE  55           HN       ILE  55   7.434   7.757  -0.148
  410    HA   ILE  55           HA       ILE  55   6.384   9.053  -2.557
  411    HB   ILE  55           HB       ILE  55   4.840   7.729  -0.307
  412   1HG1  ILE  55          2HG1      ILE  55   5.884   6.488  -2.871
  413   2HG1  ILE  55          1HG1      ILE  55   6.623   6.252  -1.288
  414   1HG2  ILE  55          3HG2      ILE  55   4.227   8.393  -3.199
  415   2HG2  ILE  55          2HG2      ILE  55   3.234   7.309  -2.223
  416   3HG2  ILE  55          1HG2      ILE  55   3.406   9.003  -1.762
  417   1HD1  ILE  55          3HD1      ILE  55   3.717   5.628  -1.860
  418   2HD1  ILE  55          2HD1      ILE  55   5.004   4.430  -1.997
  419   3HD1  ILE  55          1HD1      ILE  55   4.654   5.173  -0.437
  420    H    ALA  56           HN       ALA  56   4.506  10.566  -2.399
  421    HA   ALA  56           HA       ALA  56   4.253  12.084   0.112
  422   1HB   ALA  56          2HB       ALA  56   5.861  12.986  -2.179
  423   2HB   ALA  56          1HB       ALA  56   4.649  14.160  -1.665
  424   3HB   ALA  56          3HB       ALA  56   5.850  13.571  -0.516
  425    H    LYS  57           HN       LYS  57   2.710  14.089  -0.458
  426    HA   LYS  57           HA       LYS  57   0.238  12.985  -1.363
  427   1HB   LYS  57          2HB       LYS  57  -0.595  15.323  -1.286
  428   2HB   LYS  57          1HB       LYS  57   0.319  14.907   0.163
  429   1HG   LYS  57          2HG       LYS  57   2.349  15.863  -1.277
  430   2HG   LYS  57          1HG       LYS  57   1.050  16.748  -2.076
  431   1HD   LYS  57          2HD       LYS  57   1.048  16.695   0.909
  432   2HD   LYS  57          1HD       LYS  57   2.250  17.709   0.110
  433   1HE   LYS  57          2HE       LYS  57   0.624  19.048  -0.922
  434   2HE   LYS  57          1HE       LYS  57  -0.633  17.822  -0.747
  435   1HZ   LYS  57          1HZ       LYS  57   0.634  19.191   1.556
  436   2HZ   LYS  57          3HZ       LYS  57  -0.793  19.740   0.822
  437   3HZ   LYS  57          2HZ       LYS  57  -0.756  18.213   1.566
  438    H    GLY  58           HN       GLY  58  -0.750  12.999  -3.359
  439   1HA   GLY  58          2HA       GLY  58  -1.096  13.560  -5.641
  440   2HA   GLY  58          1HA       GLY  58   0.288  14.652  -5.553
  441    H    ALA  59           HN       ALA  59   0.201  11.213  -4.672
  442    HA   ALA  59           HA       ALA  59   2.170  10.706  -6.870
  443   1HB   ALA  59          3HB       ALA  59   2.818  10.579  -4.275
  444   2HB   ALA  59          2HB       ALA  59   2.126   8.966  -4.443
  445   3HB   ALA  59          1HB       ALA  59   3.489   9.451  -5.451
  446    H    GLU  60           HN       GLU  60   2.262   8.122  -7.150
  447    HA   GLU  60           HA       GLU  60  -0.509   7.027  -7.092
  448   1HB   GLU  60          2HB       GLU  60   1.320   7.026  -9.516
  449   2HB   GLU  60          1HB       GLU  60  -0.255   6.237  -9.418
  450   1HG   GLU  60          2HG       GLU  60  -0.949   8.732  -8.631
  451   2HG   GLU  60          1HG       GLU  60   0.404   9.121  -9.693
  452    H    ILE  61           HN       ILE  61  -0.561   4.694  -7.136
  453    HA   ILE  61           HA       ILE  61   2.014   3.250  -7.039
  454    HB   ILE  61           HB       ILE  61   1.363   2.175  -4.844
  455   1HG1  ILE  61          2HG1      ILE  61  -0.552   4.530  -4.711
  456   2HG1  ILE  61          1HG1      ILE  61  -1.043   2.853  -4.953
  457   1HG2  ILE  61          1HG2      ILE  61   3.068   3.974  -5.020
  458   2HG2  ILE  61          3HG2      ILE  61   1.800   5.177  -4.784
  459   3HG2  ILE  61          2HG2      ILE  61   2.193   4.044  -3.491
  460   1HD1  ILE  61          1HD1      ILE  61   0.455   2.501  -2.763
  461   2HD1  ILE  61          3HD1      ILE  61   0.005   4.186  -2.496
  462   3HD1  ILE  61          2HD1      ILE  61  -1.246   2.953  -2.659
  463    H    THR  62           HN       THR  62   1.772   1.247  -7.932
  464    HA   THR  62           HA       THR  62  -1.019   0.309  -8.442
  465    HB   THR  62           HB       THR  62   1.341  -0.844  -9.877
  466    HG1  THR  62           HG1      THR  62   0.134   1.628 -10.552
  467   1HG2  THR  62          1HG2      THR  62  -1.579  -0.417 -10.303
  468   2HG2  THR  62          3HG2      THR  62  -0.542  -0.428 -11.730
  469   3HG2  THR  62          2HG2      THR  62  -0.586  -1.830 -10.660
  470    H    ILE  63           HN       ILE  63  -1.561  -1.126  -6.859
  471    HA   ILE  63           HA       ILE  63   0.490  -2.990  -5.804
  472    HB   ILE  63           HB       ILE  63  -2.392  -2.519  -4.967
  473   1HG1  ILE  63          2HG1      ILE  63   0.205  -1.646  -3.661
  474   2HG1  ILE  63          1HG1      ILE  63  -0.830  -0.590  -4.623
  475   1HG2  ILE  63          3HG2      ILE  63  -0.194  -4.309  -3.955
  476   2HG2  ILE  63          2HG2      ILE  63  -1.392  -3.666  -2.830
  477   3HG2  ILE  63          1HG2      ILE  63  -1.905  -4.672  -4.185
  478   1HD1  ILE  63          3HD1      ILE  63  -2.703  -1.470  -2.962
  479   2HD1  ILE  63          2HD1      ILE  63  -1.316  -1.766  -1.914
  480   3HD1  ILE  63          1HD1      ILE  63  -1.646  -0.136  -2.501
  481    H    SER  64           HN       SER  64   0.107  -5.300  -5.820
  482    HA   SER  64           HA       SER  64  -2.057  -6.301  -7.575
  483   1HB   SER  64          2HB       SER  64  -0.170  -7.741  -8.711
  484   2HB   SER  64          1HB       SER  64  -0.482  -6.105  -9.283
  485    HG   SER  64           HG       SER  64   1.658  -6.125  -8.929
  486    H    ALA  65           HN       ALA  65  -2.964  -7.718  -6.153
  487    HA   ALA  65           HA       ALA  65  -1.254  -9.315  -4.344
  488   1HB   ALA  65          3HB       ALA  65  -3.428  -8.252  -3.591
  489   2HB   ALA  65          2HB       ALA  65  -4.271  -9.391  -4.641
  490   3HB   ALA  65          1HB       ALA  65  -3.317  -9.985  -3.283
  491    H    SER  66           HN       SER  66  -0.610 -11.352  -4.887
  492    HA   SER  66           HA       SER  66  -2.238 -12.865  -6.882
  493   1HB   SER  66          2HB       SER  66   0.405 -11.832  -7.254
  494   2HB   SER  66          1HB       SER  66   0.508 -13.589  -7.192
  495    HG   SER  66           HG       SER  66  -1.287 -12.072  -8.793
  496    H    GLY  67           HN       GLY  67  -3.039 -14.498  -5.630
  497   1HA   GLY  67          2HA       GLY  67  -1.444 -16.632  -4.710
  498   2HA   GLY  67          1HA       GLY  67  -1.718 -15.580  -3.322
  499    H    ALA  68           HN       ALA  68  -3.088 -17.019  -2.216
  500    HA   ALA  68           HA       ALA  68  -5.447 -18.146  -3.548
  501   1HB   ALA  68          1HB       ALA  68  -4.294 -18.257  -0.772
  502   2HB   ALA  68          3HB       ALA  68  -5.959 -18.770  -1.051
  503   3HB   ALA  68          2HB       ALA  68  -4.634 -19.582  -1.887
  504    H    ASP  69           HN       ASP  69  -4.986 -15.956  -0.747
  505    HA   ASP  69           HA       ASP  69  -7.733 -14.913  -1.180
  506   1HB   ASP  69          2HB       ASP  69  -7.339 -13.765   1.018
  507   2HB   ASP  69          1HB       ASP  69  -7.201 -15.520   1.113
  508    H    GLU  70           HN       GLU  70  -5.874 -14.209  -3.160
  509    HA   GLU  70           HA       GLU  70  -4.557 -11.710  -2.704
  510   1HB   GLU  70          2HB       GLU  70  -4.631 -11.502  -5.209
  511   2HB   GLU  70          1HB       GLU  70  -3.978 -13.039  -4.644
  512   1HG   GLU  70          2HG       GLU  70  -6.005 -14.196  -5.134
  513   2HG   GLU  70          1HG       GLU  70  -6.899 -12.690  -5.339
  514    H    ASN  71           HN       ASN  71  -7.882 -12.527  -3.475
  515    HA   ASN  71           HA       ASN  71  -8.638  -9.801  -4.192
  516   1HB   ASN  71          2HB       ASN  71 -10.367 -12.167  -3.408
  517   2HB   ASN  71          1HB       ASN  71 -10.937 -10.676  -4.158
  518   1HD2  ASN  71          2HD2      ASN  71  -9.610 -11.498  -7.392
  519   2HD2  ASN  71          1HD2      ASN  71 -10.042 -10.195  -6.392
  520    H    ASP  72           HN       ASP  72  -8.659 -11.784  -1.280
  521    HA   ASP  72           HA       ASP  72 -10.228  -9.899   0.286
  522   1HB   ASP  72          2HB       ASP  72  -8.389 -12.088   1.288
  523   2HB   ASP  72          1HB       ASP  72  -9.712 -11.327   2.169
  524    H    ALA  73           HN       ALA  73  -6.861 -10.205  -0.555
  525    HA   ALA  73           HA       ALA  73  -5.912  -8.588   1.689
  526   1HB   ALA  73          1HB       ALA  73  -4.543  -9.459  -0.869
  527   2HB   ALA  73          3HB       ALA  73  -3.746  -8.632   0.470
  528   3HB   ALA  73          2HB       ALA  73  -4.417 -10.246   0.704
  529    H    LEU  74           HN       LEU  74  -6.509  -8.048  -1.794
  530    HA   LEU  74           HA       LEU  74  -5.542  -5.356  -1.809
  531   1HB   LEU  74          2HB       LEU  74  -6.679  -5.121  -3.953
  532   2HB   LEU  74          1HB       LEU  74  -5.886  -6.688  -3.865
  533    HG   LEU  74           HG       LEU  74  -8.253  -7.455  -2.936
  534   1HD1  LEU  74          3HD1      LEU  74  -8.790  -4.782  -3.510
  535   2HD1  LEU  74          2HD1      LEU  74  -9.418  -5.632  -4.921
  536   3HD1  LEU  74          1HD1      LEU  74  -9.998  -6.051  -3.309
  537   1HD2  LEU  74          1HD2      LEU  74  -7.100  -8.291  -4.966
  538   2HD2  LEU  74          3HD2      LEU  74  -8.833  -8.104  -5.234
  539   3HD2  LEU  74          2HD2      LEU  74  -7.707  -6.903  -5.868
  540    H    ASN  75           HN       ASN  75  -8.834  -6.651  -1.273
  541    HA   ASN  75           HA       ASN  75  -9.958  -3.979  -1.018
  542   1HB   ASN  75          2HB       ASN  75 -11.962  -5.214  -0.063
  543   2HB   ASN  75          1HB       ASN  75 -11.495  -5.676  -1.697
  544   1HD2  ASN  75          2HD2      ASN  75 -11.892  -8.933  -0.187
  545   2HD2  ASN  75          1HD2      ASN  75 -12.778  -7.714  -0.967
  546    H    ALA  76           HN       ALA  76  -8.319  -6.170   1.146
  547    HA   ALA  76           HA       ALA  76  -9.362  -5.098   3.615
  548   1HB   ALA  76          2HB       ALA  76  -7.500  -7.089   2.876
  549   2HB   ALA  76          1HB       ALA  76  -6.598  -5.940   3.857
  550   3HB   ALA  76          3HB       ALA  76  -8.050  -6.702   4.504
  551    H    LEU  77           HN       LEU  77  -6.213  -4.521   1.993
  552    HA   LEU  77           HA       LEU  77  -5.507  -2.270   3.604
  553   1HB   LEU  77          2HB       LEU  77  -4.654  -2.780   0.745
  554   2HB   LEU  77          1HB       LEU  77  -3.795  -1.829   1.955
  555    HG   LEU  77           HG       LEU  77  -4.319  -4.458   3.030
  556   1HD1  LEU  77          3HD1      LEU  77  -4.222  -4.718   0.353
  557   2HD1  LEU  77          2HD1      LEU  77  -2.493  -4.728   0.699
  558   3HD1  LEU  77          1HD1      LEU  77  -3.549  -5.925   1.449
  559   1HD2  LEU  77          2HD2      LEU  77  -1.819  -2.938   2.234
  560   2HD2  LEU  77          1HD2      LEU  77  -2.527  -3.060   3.844
  561   3HD2  LEU  77          3HD2      LEU  77  -1.787  -4.476   3.097
  562    H    GLU  78           HN       GLU  78  -7.512  -2.575   0.736
  563    HA   GLU  78           HA       GLU  78  -7.532   0.157  -0.089
  564   1HB   GLU  78          2HB       GLU  78  -8.477  -1.715  -1.421
  565   2HB   GLU  78          1HB       GLU  78  -9.784  -1.872  -0.250
  566   1HG   GLU  78          2HG       GLU  78 -10.911  -0.101  -1.101
  567   2HG   GLU  78          1HG       GLU  78  -9.453   0.880  -1.218
  568    H    GLU  79           HN       GLU  79  -9.920  -1.554   1.976
  569    HA   GLU  79           HA       GLU  79 -11.432   0.740   2.676
  570   1HB   GLU  79          2HB       GLU  79 -12.168  -0.617   4.648
  571   2HB   GLU  79          1HB       GLU  79 -12.268  -1.499   3.123
  572   1HG   GLU  79          2HG       GLU  79 -10.333  -2.771   3.596
  573   2HG   GLU  79          1HG       GLU  79  -9.812  -1.665   4.868
  574    H    THR  80           HN       THR  80  -8.358  -0.422   3.893
  575    HA   THR  80           HA       THR  80  -8.354   1.152   6.326
  576    HB   THR  80           HB       THR  80  -5.976   0.149   4.731
  577    HG1  THR  80           HG1      THR  80  -7.458  -1.084   6.810
  578   1HG2  THR  80          1HG2      THR  80  -5.894   1.872   6.773
  579   2HG2  THR  80          3HG2      THR  80  -6.031   0.380   7.704
  580   3HG2  THR  80          2HG2      THR  80  -4.687   0.600   6.584
  581    H    MET  81           HN       MET  81  -7.295   1.682   3.002
  582    HA   MET  81           HA       MET  81  -5.997   4.217   3.494
  583   1HB   MET  81          2HB       MET  81  -7.003   2.773   1.048
  584   2HB   MET  81          1HB       MET  81  -6.425   4.433   0.928
  585   1HG   MET  81          2HG       MET  81  -4.689   2.551   2.439
  586   2HG   MET  81          1HG       MET  81  -4.792   2.283   0.699
  587   1HE   MET  81          3HE       MET  81  -2.751   2.744  -0.192
  588   2HE   MET  81          2HE       MET  81  -1.656   4.084   0.138
  589   3HE   MET  81          1HE       MET  81  -1.942   2.865   1.377
  590    H    LYS  82           HN       LYS  82  -9.290   3.208   2.814
  591    HA   LYS  82           HA       LYS  82 -10.225   5.939   2.289
  592   1HB   LYS  82          2HB       LYS  82 -11.669   3.302   2.661
  593   2HB   LYS  82          1HB       LYS  82 -12.491   4.825   2.318
  594   1HG   LYS  82          2HG       LYS  82 -11.712   4.919   0.153
  595   2HG   LYS  82          1HG       LYS  82 -10.214   4.075   0.544
  596   1HD   LYS  82          2HD       LYS  82 -11.254   2.346  -0.541
  597   2HD   LYS  82          1HD       LYS  82 -11.980   2.094   1.047
  598   1HE   LYS  82          2HE       LYS  82 -13.309   4.044  -0.782
  599   2HE   LYS  82          1HE       LYS  82 -13.479   2.328  -1.156
  600   1HZ   LYS  82          1HZ       LYS  82 -14.127   2.051   1.247
  601   2HZ   LYS  82          3HZ       LYS  82 -14.258   3.739   1.328
  602   3HZ   LYS  82          2HZ       LYS  82 -15.251   2.861   0.264
  603    H    SER  83           HN       SER  83  -9.829   3.874   5.065
  604    HA   SER  83           HA       SER  83 -11.802   5.202   6.735
  605   1HB   SER  83          2HB       SER  83 -10.311   4.066   8.578
  606   2HB   SER  83          1HB       SER  83 -11.295   3.064   7.514
  607    HG   SER  83           HG       SER  83  -8.939   2.558   7.810
  608    H    GLU  84           HN       GLU  84  -8.253   5.094   7.194
  609    HA   GLU  84           HA       GLU  84  -8.171   7.456   8.795
  610   1HB   GLU  84          2HB       GLU  84  -6.139   5.835   7.300
  611   2HB   GLU  84          1HB       GLU  84  -5.668   7.411   7.938
  612   1HG   GLU  84          2HG       GLU  84  -7.137   5.492   9.718
  613   2HG   GLU  84          1HG       GLU  84  -5.409   5.262   9.442
  614    H    GLY  85           HN       GLY  85  -8.126   6.978   5.321
  615   1HA   GLY  85          2HA       GLY  85  -8.684   8.688   3.732
  616   2HA   GLY  85          1HA       GLY  85  -8.328   9.908   4.957
  617    H    LEU  86           HN       LEU  86  -6.279   7.182   3.981
  618    HA   LEU  86           HA       LEU  86  -4.005   8.996   3.626
  619   1HB   LEU  86          2HB       LEU  86  -4.315   6.003   3.281
  620   2HB   LEU  86          1HB       LEU  86  -2.789   6.864   3.067
  621    HG   LEU  86           HG       LEU  86  -4.451   6.928   5.603
  622   1HD1  LEU  86          2HD1      LEU  86  -2.194   5.190   4.669
  623   2HD1  LEU  86          1HD1      LEU  86  -2.281   5.631   6.374
  624   3HD1  LEU  86          3HD1      LEU  86  -3.615   4.759   5.621
  625   1HD2  LEU  86          3HD2      LEU  86  -1.795   8.089   4.759
  626   2HD2  LEU  86          2HD2      LEU  86  -3.151   8.903   5.539
  627   3HD2  LEU  86          1HD2      LEU  86  -2.150   7.780   6.459
  628    H    GLY  87           HN       GLY  87  -5.642   6.601   1.526
  629   1HA   GLY  87          2HA       GLY  87  -5.301   8.427  -0.776
  630   2HA   GLY  87          1HA       GLY  87  -4.520   6.848  -0.896
  631    H    GLU  88           HN       GLU  88  -6.329   7.211  -2.795
  632    HA   GLU  88           HA       GLU  88  -8.664   5.591  -1.883
  633   1HB   GLU  88          2HB       GLU  88 -10.056   6.896  -3.549
  634   2HB   GLU  88          1HB       GLU  88  -9.550   7.814  -2.133
  635   1HG   GLU  88          2HG       GLU  88  -7.557   7.964  -4.260
  636   2HG   GLU  88          1HG       GLU  88  -9.133   8.521  -4.817
   
  No H/Q in entry =         636
  Start of MODEL   23
    1   1H    ALA   2          2HT       ALA   2  -4.770  -9.794  -9.612
    2   2H    ALA   2          1HT       ALA   2  -6.155 -10.755  -9.826
    3   3H    ALA   2          3HT       ALA   2  -6.106  -9.186 -10.468
    4    HA   ALA   2           HA       ALA   2  -7.415  -8.994  -8.553
    5   1HB   ALA   2          2HB       ALA   2  -6.358 -11.291  -7.748
    6   2HB   ALA   2          1HB       ALA   2  -5.305 -10.225  -6.818
    7   3HB   ALA   2          3HB       ALA   2  -7.053 -10.164  -6.583
    8    H    GLN   3           HN       GLN   3  -5.427  -7.398  -9.874
    9    HA   GLN   3           HA       GLN   3  -4.059  -6.023  -7.610
   10   1HB   GLN   3          2HB       GLN   3  -2.845  -4.801  -9.458
   11   2HB   GLN   3          1HB       GLN   3  -2.551  -6.538  -9.420
   12   1HG   GLN   3          2HG       GLN   3  -4.862  -5.664 -11.059
   13   2HG   GLN   3          1HG       GLN   3  -3.275  -5.194 -11.666
   14   1HE2  GLN   3          2HE2      GLN   3  -2.206  -8.664 -12.035
   15   2HE2  GLN   3          1HE2      GLN   3  -1.600  -7.175 -11.490
   16    H    LYS   4           HN       LYS   4  -4.288  -3.719  -7.391
   17    HA   LYS   4           HA       LYS   4  -6.501  -2.465  -8.930
   18   1HB   LYS   4          2HB       LYS   4  -6.894  -3.482  -6.360
   19   2HB   LYS   4          1HB       LYS   4  -6.616  -1.763  -6.089
   20   1HG   LYS   4          2HG       LYS   4  -8.502  -1.130  -7.266
   21   2HG   LYS   4          1HG       LYS   4  -8.457  -2.553  -8.310
   22   1HD   LYS   4          2HD       LYS   4  -9.342  -3.960  -6.601
   23   2HD   LYS   4          1HD       LYS   4  -9.065  -2.742  -5.355
   24   1HE   LYS   4          2HE       LYS   4 -11.426  -2.735  -5.906
   25   2HE   LYS   4          1HE       LYS   4 -10.708  -1.253  -6.539
   26   1HZ   LYS   4          2HZ       LYS   4 -10.922  -3.680  -8.206
   27   2HZ   LYS   4          1HZ       LYS   4 -12.223  -2.597  -8.067
   28   3HZ   LYS   4          3HZ       LYS   4 -10.741  -2.065  -8.699
   29    H    THR   5           HN       THR   5  -6.345  -0.167  -9.011
   30    HA   THR   5           HA       THR   5  -3.631   0.855  -8.448
   31    HB   THR   5           HB       THR   5  -5.918   2.363  -9.730
   32    HG1  THR   5           HG1      THR   5  -5.754   0.652 -11.029
   33   1HG2  THR   5          3HG2      THR   5  -2.949   2.656  -9.508
   34   2HG2  THR   5          2HG2      THR   5  -3.743   3.231 -10.974
   35   3HG2  THR   5          1HG2      THR   5  -4.207   3.888  -9.404
   36    H    PHE   6           HN       PHE   6  -3.283   2.795  -7.209
   37    HA   PHE   6           HA       PHE   6  -5.550   3.716  -5.520
   38   1HB   PHE   6          2HB       PHE   6  -2.924   2.599  -4.512
   39   2HB   PHE   6          1HB       PHE   6  -3.973   3.613  -3.520
   40    HD1  PHE   6          1HD       PHE   6  -3.698   0.378  -5.299
   41    HD2  PHE   6          2HD       PHE   6  -6.069   2.791  -2.652
   42    HE1  PHE   6          1HE       PHE   6  -5.093  -1.598  -4.746
   43    HE2  PHE   6          2HE       PHE   6  -7.462   0.815  -2.101
   44    HZ   PHE   6           HZ       PHE   6  -6.974  -1.379  -3.146
   45    H    LYS   7           HN       LYS   7  -5.325   5.875  -4.845
   46    HA   LYS   7           HA       LYS   7  -3.052   7.343  -6.105
   47   1HB   LYS   7          2HB       LYS   7  -5.852   7.798  -6.115
   48   2HB   LYS   7          1HB       LYS   7  -5.157   9.073  -5.117
   49   1HG   LYS   7          2HG       LYS   7  -4.120   8.342  -7.870
   50   2HG   LYS   7          1HG       LYS   7  -5.278   9.638  -7.573
   51   1HD   LYS   7          2HD       LYS   7  -2.850   9.687  -5.871
   52   2HD   LYS   7          1HD       LYS   7  -2.582  10.010  -7.583
   53   1HE   LYS   7          2HE       LYS   7  -3.033  12.139  -6.637
   54   2HE   LYS   7          1HE       LYS   7  -4.547  11.661  -7.405
   55   1HZ   LYS   7          3HZ       LYS   7  -3.966  11.105  -4.557
   56   2HZ   LYS   7          2HZ       LYS   7  -4.712  12.543  -5.068
   57   3HZ   LYS   7          1HZ       LYS   7  -5.464  11.045  -5.349
   58    H    VAL   8           HN       VAL   8  -1.556   8.225  -4.773
   59    HA   VAL   8           HA       VAL   8  -1.895   8.016  -1.869
   60    HB   VAL   8           HB       VAL   8   0.376   9.266  -3.443
   61   1HG1  VAL   8          3HG1      VAL   8   0.262   9.835  -1.023
   62   2HG1  VAL   8          2HG1      VAL   8   0.254   8.114  -0.639
   63   3HG1  VAL   8          1HG1      VAL   8   1.667   8.840  -1.405
   64   1HG2  VAL   8          1HG2      VAL   8  -0.370   6.441  -2.849
   65   2HG2  VAL   8          3HG2      VAL   8   0.523   7.103  -4.219
   66   3HG2  VAL   8          2HG2      VAL   8   1.332   6.870  -2.669
   67    H    THR   9           HN       THR   9  -2.968   9.570  -0.769
   68    HA   THR   9           HA       THR   9  -2.540  12.418  -1.561
   69    HB   THR   9           HB       THR   9  -5.218  11.533  -0.536
   70    HG1  THR   9           HG1      THR   9  -5.528  10.419  -2.266
   71   1HG2  THR   9          3HG2      THR   9  -4.245  13.708  -2.407
   72   2HG2  THR   9          2HG2      THR   9  -5.932  13.447  -1.967
   73   3HG2  THR   9          1HG2      THR   9  -4.762  13.920  -0.735
   74    H    ALA  10           HN       ALA  10  -1.474  10.620   0.627
   75    HA   ALA  10           HA       ALA  10  -2.724  11.543   3.085
   76   1HB   ALA  10          3HB       ALA  10  -1.025   9.458   2.423
   77   2HB   ALA  10          2HB       ALA  10   0.032  10.554   3.312
   78   3HB   ALA  10          1HB       ALA  10  -1.444   9.948   4.064
   79    H    ASP  11           HN       ASP  11  -1.418  12.788   4.733
   80    HA   ASP  11           HA       ASP  11  -0.457  15.257   3.581
   81   1HB   ASP  11          2HB       ASP  11   0.134  15.818   5.954
   82   2HB   ASP  11          1HB       ASP  11  -1.532  15.269   5.767
   83    H    SER  12           HN       SER  12   1.097  12.363   4.873
   84    HA   SER  12           HA       SER  12   3.749  13.545   4.152
   85   1HB   SER  12          2HB       SER  12   4.757  12.169   5.822
   86   2HB   SER  12          1HB       SER  12   3.324  12.855   6.581
   87    HG   SER  12           HG       SER  12   3.150  10.735   6.997
   88    H    GLY  13           HN       GLY  13   1.711  12.049   2.440
   89   1HA   GLY  13          2HA       GLY  13   1.797  10.458   0.720
   90   2HA   GLY  13          1HA       GLY  13   3.551  10.505   0.898
   91    H    ILE  14           HN       ILE  14   4.036   8.328   0.902
   92    HA   ILE  14           HA       ILE  14   2.750   6.679   3.044
   93    HB   ILE  14           HB       ILE  14   3.901   5.653   0.435
   94   1HG1  ILE  14          2HG1      ILE  14   0.979   5.976   1.174
   95   2HG1  ILE  14          1HG1      ILE  14   1.855   7.123   0.161
   96   1HG2  ILE  14          1HG2      ILE  14   3.777   4.140   2.484
   97   2HG2  ILE  14          3HG2      ILE  14   2.024   4.304   2.387
   98   3HG2  ILE  14          2HG2      ILE  14   2.915   3.564   1.057
   99   1HD1  ILE  14          2HD1      ILE  14   1.552   4.163  -0.426
  100   2HD1  ILE  14          1HD1      ILE  14   0.629   5.451  -1.202
  101   3HD1  ILE  14          3HD1      ILE  14   2.373   5.345  -1.447
  102   1HN   HIP  15           HN       HIP  15   4.445   7.272   4.523
  103    HA   HIP  15           HA       HIP  15   7.155   6.324   3.777
  104   1HB   HIP  15          1HB       HIP  15   6.928   8.695   4.544
  105   2HB   HIP  15          2HB       HIP  15   8.030   7.745   5.520
  106    HD2  HIP  15          2HD       HIP  15   4.132   8.461   5.932
  107    HE2  HIP  15          2HE       HIP  15   3.815   9.010   8.449
  108    HE1  HIP  15          1HE       HIP  15   6.040   8.933   9.653
  109    H    ALA  16           HN       ALA  16   7.650   6.227   6.884
  110    HA   ALA  16           HA       ALA  16   7.268   3.378   7.072
  111   1HB   ALA  16          1HB       ALA  16   8.997   5.094   8.220
  112   2HB   ALA  16          3HB       ALA  16   7.845   4.910   9.544
  113   3HB   ALA  16          2HB       ALA  16   8.654   3.493   8.875
  114    H    ARG  17           HN       ARG  17   5.578   6.133   8.627
  115    HA   ARG  17           HA       ARG  17   4.064   4.646  10.489
  116   1HB   ARG  17          2HB       ARG  17   4.143   7.296   9.706
  117   2HB   ARG  17          1HB       ARG  17   2.517   6.806   9.241
  118   1HG   ARG  17          2HG       ARG  17   2.041   7.283  11.422
  119   2HG   ARG  17          1HG       ARG  17   2.673   5.660  11.695
  120   1HD   ARG  17          2HD       ARG  17   4.625   7.921  11.599
  121   2HD   ARG  17          1HD       ARG  17   3.624   7.755  13.041
  122    HE   ARG  17           HE       ARG  17   5.060   5.334  12.121
  123   1HH1  ARG  17          HH11      ARG  17   3.790   6.386  14.859
  124   2HH1  ARG  17          HH12      ARG  17   5.236   6.426  15.813
  125   1HH2  ARG  17          HH21      ARG  17   7.357   6.081  13.093
  126   2HH2  ARG  17          HH22      ARG  17   7.255   6.253  14.813
  127    HA   PRO  18           HA       PRO  18   0.646   3.934   7.244
  128   1HB   PRO  18          2HB       PRO  18   1.204   4.474   4.603
  129   2HB   PRO  18          1HB       PRO  18   0.434   5.629   5.705
  130   1HG   PRO  18          2HG       PRO  18   3.241   5.580   4.693
  131   2HG   PRO  18          1HG       PRO  18   2.255   6.960   5.204
  132   1HD   PRO  18          2HD       PRO  18   4.273   5.750   6.736
  133   2HD   PRO  18          1HD       PRO  18   3.022   6.838   7.362
  134    H    ALA  19           HN       ALA  19   4.000   3.315   6.477
  135    HA   ALA  19           HA       ALA  19   3.544   0.960   4.842
  136   1HB   ALA  19          3HB       ALA  19   5.877   2.301   6.113
  137   2HB   ALA  19          2HB       ALA  19   6.043   0.576   5.790
  138   3HB   ALA  19          1HB       ALA  19   5.690   1.690   4.469
  139    H    THR  20           HN       THR  20   3.634   1.619   8.270
  140    HA   THR  20           HA       THR  20   4.000  -1.194   9.019
  141    HB   THR  20           HB       THR  20   2.987   0.852  10.948
  142    HG1  THR  20           HG1      THR  20   5.647   0.759   9.972
  143   1HG2  THR  20          2HG2      THR  20   3.810  -1.685  11.248
  144   2HG2  THR  20          1HG2      THR  20   5.371  -0.875  11.393
  145   3HG2  THR  20          3HG2      THR  20   4.057  -0.463  12.497
  146    H    VAL  21           HN       VAL  21   1.385   1.110   8.577
  147    HA   VAL  21           HA       VAL  21  -0.669  -0.505   9.843
  148    HB   VAL  21           HB       VAL  21  -1.011   1.600   7.714
  149   1HG1  VAL  21          1HG1      VAL  21  -2.980   0.155   8.290
  150   2HG1  VAL  21          3HG1      VAL  21  -2.852   0.724   9.955
  151   3HG1  VAL  21          2HG1      VAL  21  -3.230   1.861   8.660
  152   1HG2  VAL  21          1HG2      VAL  21  -0.327   1.786  10.611
  153   2HG2  VAL  21          3HG2      VAL  21   0.088   2.877   9.289
  154   3HG2  VAL  21          2HG2      VAL  21  -1.526   2.926   9.999
  155    H    LEU  22           HN       LEU  22   0.615  -0.139   6.607
  156    HA   LEU  22           HA       LEU  22  -1.389  -1.808   5.333
  157   1HB   LEU  22          2HB       LEU  22   1.316  -0.801   4.425
  158   2HB   LEU  22          1HB       LEU  22   0.157  -1.629   3.385
  159    HG   LEU  22           HG       LEU  22  -0.441   0.920   4.910
  160   1HD1  LEU  22          2HD1      LEU  22   0.739   0.367   2.224
  161   2HD1  LEU  22          1HD1      LEU  22  -0.493   1.629   2.302
  162   3HD1  LEU  22          3HD1      LEU  22   0.963   1.760   3.287
  163   1HD2  LEU  22          2HD2      LEU  22  -1.945  -0.842   2.981
  164   2HD2  LEU  22          1HD2      LEU  22  -2.502  -0.129   4.495
  165   3HD2  LEU  22          3HD2      LEU  22  -2.308   0.883   3.063
  166    H    VAL  23           HN       VAL  23   2.005  -2.286   6.361
  167    HA   VAL  23           HA       VAL  23   2.265  -4.941   5.346
  168    HB   VAL  23           HB       VAL  23   4.193  -3.582   6.104
  169   1HG1  VAL  23          3HG1      VAL  23   2.972  -2.632   8.103
  170   2HG1  VAL  23          2HG1      VAL  23   3.237  -4.174   8.915
  171   3HG1  VAL  23          1HG1      VAL  23   4.614  -3.181   8.439
  172   1HG2  VAL  23          3HG2      VAL  23   4.111  -6.188   6.133
  173   2HG2  VAL  23          2HG2      VAL  23   5.445  -5.383   6.958
  174   3HG2  VAL  23          1HG2      VAL  23   4.083  -6.010   7.887
  175    H    GLN  24           HN       GLN  24   0.720  -3.695   8.234
  176    HA   GLN  24           HA       GLN  24   0.566  -6.225   9.635
  177   1HB   GLN  24          2HB       GLN  24  -0.938  -3.613   9.895
  178   2HB   GLN  24          1HB       GLN  24  -1.274  -5.003  10.924
  179   1HG   GLN  24          2HG       GLN  24   1.578  -4.544  10.814
  180   2HG   GLN  24          1HG       GLN  24   0.755  -3.057  11.278
  181   1HE2  GLN  24          2HE2      GLN  24   0.575  -6.312  13.776
  182   2HE2  GLN  24          1HE2      GLN  24   1.024  -6.528  12.154
  183    H    THR  25           HN       THR  25  -1.827  -4.366   7.717
  184    HA   THR  25           HA       THR  25  -3.918  -6.297   7.892
  185    HB   THR  25           HB       THR  25  -3.416  -4.457   5.541
  186    HG1  THR  25           HG1      THR  25  -3.395  -3.065   7.162
  187   1HG2  THR  25          3HG2      THR  25  -5.738  -5.976   6.655
  188   2HG2  THR  25          2HG2      THR  25  -6.049  -4.418   5.890
  189   3HG2  THR  25          1HG2      THR  25  -5.275  -5.712   4.974
  190    H    ALA  26           HN       ALA  26  -1.723  -5.706   5.126
  191    HA   ALA  26           HA       ALA  26  -2.466  -7.989   3.626
  192   1HB   ALA  26          2HB       ALA  26  -1.126  -6.110   2.723
  193   2HB   ALA  26          1HB       ALA  26   0.241  -6.631   3.710
  194   3HB   ALA  26          3HB       ALA  26  -0.360  -7.670   2.417
  195    H    SER  27           HN       SER  27  -0.412  -7.721   6.440
  196    HA   SER  27           HA       SER  27   1.171 -10.065   6.121
  197   1HB   SER  27          2HB       SER  27   0.437  -8.260   8.303
  198   2HB   SER  27          1HB       SER  27   0.640  -9.921   8.852
  199    HG   SER  27           HG       SER  27   2.485  -8.516   7.210
  200    H    LYS  28           HN       LYS  28  -2.112  -9.621   7.385
  201    HA   LYS  28           HA       LYS  28  -2.494 -12.326   8.268
  202   1HB   LYS  28          2HB       LYS  28  -4.410 -10.136   7.442
  203   2HB   LYS  28          1HB       LYS  28  -4.967 -11.718   7.990
  204   1HG   LYS  28          2HG       LYS  28  -4.938 -10.556  10.002
  205   2HG   LYS  28          1HG       LYS  28  -3.318 -11.253  10.003
  206   1HD   LYS  28          2HD       LYS  28  -2.299  -9.233   9.631
  207   2HD   LYS  28          1HD       LYS  28  -3.625  -8.630   8.636
  208   1HE   LYS  28          2HE       LYS  28  -4.026  -7.348  10.495
  209   2HE   LYS  28          1HE       LYS  28  -4.902  -8.791  11.005
  210   1HZ   LYS  28          1HZ       LYS  28  -2.637  -9.517  11.929
  211   2HZ   LYS  28          3HZ       LYS  28  -2.216  -7.879  11.808
  212   3HZ   LYS  28          2HZ       LYS  28  -3.521  -8.349  12.786
  213    H    TYR  29           HN       TYR  29  -2.728 -10.761   5.131
  214    HA   TYR  29           HA       TYR  29  -4.011 -13.131   3.919
  215   1HB   TYR  29          2HB       TYR  29  -3.018 -10.546   2.663
  216   2HB   TYR  29          1HB       TYR  29  -3.916 -11.812   1.824
  217    HD1  TYR  29          2HD       TYR  29  -6.245 -12.406   2.597
  218    HD2  TYR  29          1HD       TYR  29  -4.145  -8.948   4.035
  219    HE1  TYR  29          2HE       TYR  29  -8.383 -11.442   3.401
  220    HE2  TYR  29          1HE       TYR  29  -6.282  -7.982   4.837
  221    HH   TYR  29           HH       TYR  29  -8.760  -9.340   5.545
  222    H    ASP  30           HN       ASP  30  -2.776 -14.814   3.322
  223    HA   ASP  30           HA       ASP  30   0.090 -14.754   3.268
  224   1HB   ASP  30          2HB       ASP  30  -1.833 -16.762   2.058
  225   2HB   ASP  30          1HB       ASP  30  -0.104 -17.023   2.289
  226    H    ALA  31           HN       ALA  31  -2.241 -13.788   0.915
  227    HA   ALA  31           HA       ALA  31  -0.912 -14.388  -1.513
  228   1HB   ALA  31          1HB       ALA  31  -3.235 -13.192  -0.959
  229   2HB   ALA  31          3HB       ALA  31  -2.269 -11.742  -1.231
  230   3HB   ALA  31          2HB       ALA  31  -2.422 -12.951  -2.506
  231    H    ASP  32           HN       ASP  32   0.619 -13.226  -2.745
  232    HA   ASP  32           HA       ASP  32   2.439 -11.534  -1.148
  233   1HB   ASP  32          2HB       ASP  32   2.604 -12.974  -3.778
  234   2HB   ASP  32          1HB       ASP  32   3.719 -11.645  -3.456
  235    H    VAL  33           HN       VAL  33   1.117  -9.626  -1.010
  236    HA   VAL  33           HA       VAL  33   0.389  -8.274  -3.532
  237    HB   VAL  33           HB       VAL  33  -0.750  -6.647  -2.114
  238   1HG1  VAL  33          3HG1      VAL  33  -1.386  -9.360  -2.269
  239   2HG1  VAL  33          2HG1      VAL  33  -1.555  -8.993  -0.552
  240   3HG1  VAL  33          1HG1      VAL  33  -2.468  -8.070  -1.746
  241   1HG2  VAL  33          1HG2      VAL  33   0.710  -8.071   0.124
  242   2HG2  VAL  33          3HG2      VAL  33   0.768  -6.359  -0.286
  243   3HG2  VAL  33          2HG2      VAL  33  -0.697  -7.050   0.410
  244    H    ASN  34           HN       ASN  34   1.827  -6.968  -4.524
  245    HA   ASN  34           HA       ASN  34   4.000  -5.745  -2.872
  246   1HB   ASN  34          2HB       ASN  34   3.913  -6.543  -5.791
  247   2HB   ASN  34          1HB       ASN  34   5.214  -5.580  -5.090
  248   1HD2  ASN  34          1HD2      ASN  34   6.898  -6.731  -4.110
  249   2HD2  ASN  34          2HD2      ASN  34   6.832  -8.378  -3.704
  250    H    LEU  35           HN       LEU  35   4.134  -3.551  -2.804
  251    HA   LEU  35           HA       LEU  35   2.101  -1.980  -4.267
  252   1HB   LEU  35          2HB       LEU  35   2.802  -1.715  -1.755
  253   2HB   LEU  35          1HB       LEU  35   4.165  -0.811  -2.415
  254    HG   LEU  35           HG       LEU  35   1.351  -0.188  -3.289
  255   1HD1  LEU  35          3HD1      LEU  35   1.812  -0.142  -0.683
  256   2HD1  LEU  35          2HD1      LEU  35   2.667   1.350  -1.075
  257   3HD1  LEU  35          1HD1      LEU  35   0.953   1.189  -1.458
  258   1HD2  LEU  35          2HD2      LEU  35   4.065   1.040  -3.437
  259   2HD2  LEU  35          1HD2      LEU  35   2.762   1.047  -4.626
  260   3HD2  LEU  35          3HD2      LEU  35   2.701   2.142  -3.246
  261    H    GLU  36           HN       GLU  36   2.600  -0.651  -5.983
  262    HA   GLU  36           HA       GLU  36   5.454  -0.614  -6.862
  263   1HB   GLU  36          2HB       GLU  36   3.674  -1.573  -8.397
  264   2HB   GLU  36          1HB       GLU  36   3.003   0.055  -8.513
  265   1HG   GLU  36          2HG       GLU  36   5.030   0.909  -9.484
  266   2HG   GLU  36          1HG       GLU  36   5.892  -0.592  -9.147
  267    H    TYR  37           HN       TYR  37   6.489   1.343  -7.216
  268    HA   TYR  37           HA       TYR  37   4.902   3.843  -6.952
  269   1HB   TYR  37          2HB       TYR  37   5.806   3.259  -4.695
  270   2HB   TYR  37          1HB       TYR  37   7.434   3.298  -5.372
  271    HD1  TYR  37          1HD       TYR  37   4.410   5.492  -5.789
  272    HD2  TYR  37          2HD       TYR  37   8.558   5.227  -4.700
  273    HE1  TYR  37          1HE       TYR  37   4.485   7.952  -5.473
  274    HE2  TYR  37          2HE       TYR  37   8.633   7.685  -4.387
  275    HH   TYR  37           HH       TYR  37   7.046   9.728  -5.497
  276    H    ASN  38           HN       ASN  38   5.340   4.013  -9.245
  277    HA   ASN  38           HA       ASN  38   6.543   4.814 -11.088
  278   1HB   ASN  38          2HB       ASN  38   7.109   6.500  -9.069
  279   2HB   ASN  38          1HB       ASN  38   8.729   5.868  -9.362
  280   1HD2  ASN  38          2HD2      ASN  38   6.999   8.336 -12.103
  281   2HD2  ASN  38          1HD2      ASN  38   6.127   7.805 -10.747
  282    H    GLY  39           HN       GLY  39   6.996   2.176 -10.707
  283   1HA   GLY  39          2HA       GLY  39   8.537   0.651 -11.694
  284   2HA   GLY  39          1HA       GLY  39   9.781   1.892 -11.595
  285    H    LYS  40           HN       LYS  40   8.700   2.146  -8.603
  286    HA   LYS  40           HA       LYS  40  10.699   0.247  -7.550
  287   1HB   LYS  40          2HB       LYS  40   9.008   2.328  -6.127
  288   2HB   LYS  40          1HB       LYS  40  10.344   1.424  -5.415
  289   1HG   LYS  40          2HG       LYS  40  10.917   2.878  -7.948
  290   2HG   LYS  40          1HG       LYS  40  10.678   3.863  -6.503
  291   1HD   LYS  40          2HD       LYS  40  12.304   1.919  -5.506
  292   2HD   LYS  40          1HD       LYS  40  12.879   1.993  -7.172
  293   1HE   LYS  40          2HE       LYS  40  12.477   4.506  -5.555
  294   2HE   LYS  40          1HE       LYS  40  13.978   3.586  -5.448
  295   1HZ   LYS  40          1HZ       LYS  40  14.207   3.772  -7.855
  296   2HZ   LYS  40          3HZ       LYS  40  12.784   4.693  -7.932
  297   3HZ   LYS  40          2HZ       LYS  40  14.147   5.303  -7.121
  298    H    THR  41           HN       THR  41   9.532  -1.737  -7.924
  299    HA   THR  41           HA       THR  41   6.941  -2.080  -6.541
  300    HB   THR  41           HB       THR  41   8.545  -4.115  -8.112
  301    HG1  THR  41           HG1      THR  41   6.365  -2.524  -8.969
  302   1HG2  THR  41          3HG2      THR  41   6.479  -4.579  -6.427
  303   2HG2  THR  41          2HG2      THR  41   5.586  -4.202  -7.900
  304   3HG2  THR  41          1HG2      THR  41   6.756  -5.522  -7.891
  305    H    VAL  42           HN       VAL  42   7.524  -2.025  -4.343
  306    HA   VAL  42           HA       VAL  42   9.444  -4.118  -3.418
  307    HB   VAL  42           HB       VAL  42   8.994  -2.873  -1.131
  308   1HG1  VAL  42          1HG1      VAL  42  11.032  -2.879  -2.926
  309   2HG1  VAL  42          3HG1      VAL  42  10.647  -1.159  -2.873
  310   3HG1  VAL  42          2HG1      VAL  42  11.067  -2.016  -1.387
  311   1HG2  VAL  42          1HG2      VAL  42   7.216  -1.392  -2.037
  312   2HG2  VAL  42          3HG2      VAL  42   8.580  -0.471  -1.403
  313   3HG2  VAL  42          2HG2      VAL  42   8.391  -0.681  -3.144
  314    H    ASN  43           HN       ASN  43   8.780  -5.638  -1.854
  315    HA   ASN  43           HA       ASN  43   6.024  -6.471  -1.981
  316   1HB   ASN  43          2HB       ASN  43   8.156  -7.870  -1.424
  317   2HB   ASN  43          1HB       ASN  43   7.926  -7.275   0.221
  318   1HD2  ASN  43          2HD2      ASN  43   5.834 -10.131   0.605
  319   2HD2  ASN  43          1HD2      ASN  43   7.339  -9.446   0.989
  320    H    LEU  44           HN       LEU  44   4.353  -6.114  -0.453
  321    HA   LEU  44           HA       LEU  44   4.515  -3.705   1.079
  322   1HB   LEU  44          2HB       LEU  44   2.392  -4.820   0.219
  323   2HB   LEU  44          1HB       LEU  44   2.518  -5.893   1.617
  324    HG   LEU  44           HG       LEU  44   2.864  -3.624   2.924
  325   1HD1  LEU  44          1HD1      LEU  44   1.413  -2.790   0.415
  326   2HD1  LEU  44          3HD1      LEU  44   1.439  -1.835   1.900
  327   3HD1  LEU  44          2HD1      LEU  44   2.942  -2.161   1.035
  328   1HD2  LEU  44          3HD2      LEU  44   0.416  -5.032   2.014
  329   2HD2  LEU  44          2HD2      LEU  44   1.067  -4.822   3.640
  330   3HD2  LEU  44          1HD2      LEU  44   0.206  -3.499   2.857
  331    H    LYS  45           HN       LYS  45   5.666  -6.854   1.807
  332    HA   LYS  45           HA       LYS  45   5.503  -6.436   4.724
  333   1HB   LYS  45          2HB       LYS  45   6.600  -8.639   2.961
  334   2HB   LYS  45          1HB       LYS  45   6.908  -8.602   4.699
  335   1HG   LYS  45          2HG       LYS  45   4.964  -9.896   4.583
  336   2HG   LYS  45          1HG       LYS  45   4.312  -8.285   4.881
  337   1HD   LYS  45          2HD       LYS  45   3.619  -8.011   2.659
  338   2HD   LYS  45          1HD       LYS  45   4.737  -9.236   2.060
  339   1HE   LYS  45          2HE       LYS  45   2.519  -9.978   3.958
  340   2HE   LYS  45          1HE       LYS  45   2.219  -9.858   2.225
  341   1HZ   LYS  45          3HZ       LYS  45   4.517 -11.410   3.202
  342   2HZ   LYS  45          2HZ       LYS  45   2.965 -12.099   3.243
  343   3HZ   LYS  45          1HZ       LYS  45   3.633 -11.591   1.766
  344    H    SER  46           HN       SER  46   6.823  -4.323   3.543
  345    HA   SER  46           HA       SER  46   9.561  -4.683   4.602
  346   1HB   SER  46          2HB       SER  46   9.648  -5.254   2.137
  347   2HB   SER  46          1HB       SER  46   9.126  -3.606   1.791
  348    HG   SER  46           HG       SER  46  11.398  -3.793   1.771
  349    H    ILE  47           HN       ILE  47   8.703  -3.218   6.201
  350    HA   ILE  47           HA       ILE  47   7.604  -0.645   5.534
  351    HB   ILE  47           HB       ILE  47   9.048  -1.433   8.079
  352   1HG1  ILE  47          2HG1      ILE  47   6.138  -1.762   7.253
  353   2HG1  ILE  47          1HG1      ILE  47   7.285  -3.064   7.551
  354   1HG2  ILE  47          3HG2      ILE  47   8.460   1.030   7.527
  355   2HG2  ILE  47          2HG2      ILE  47   6.780   0.534   7.728
  356   3HG2  ILE  47          1HG2      ILE  47   7.907   0.392   9.076
  357   1HD1  ILE  47          3HD1      ILE  47   7.541  -1.854   9.899
  358   2HD1  ILE  47          2HD1      ILE  47   5.928  -1.261   9.510
  359   3HD1  ILE  47          1HD1      ILE  47   6.229  -2.995   9.607
  360    H    MET  48           HN       MET  48  10.882  -1.701   6.470
  361    HA   MET  48           HA       MET  48  12.090   0.895   6.313
  362   1HB   MET  48          2HB       MET  48  13.028  -1.314   7.320
  363   2HB   MET  48          1HB       MET  48  13.560  -1.659   5.673
  364   1HG   MET  48          2HG       MET  48  14.948   0.272   5.604
  365   2HG   MET  48          1HG       MET  48  14.195   0.957   7.045
  366   1HE   MET  48          3HE       MET  48  15.474   1.372   8.606
  367   2HE   MET  48          2HE       MET  48  14.947   0.085   9.689
  368   3HE   MET  48          1HE       MET  48  16.668   0.393   9.470
  369    H    GLY  49           HN       GLY  49  11.311  -1.535   3.900
  370   1HA   GLY  49          2HA       GLY  49  12.966  -0.507   1.785
  371   2HA   GLY  49          1HA       GLY  49  11.544  -1.528   1.564
  372    H    VAL  50           HN       VAL  50   9.676   0.235   2.880
  373    HA   VAL  50           HA       VAL  50   9.038   1.980   0.664
  374    HB   VAL  50           HB       VAL  50   7.875   2.052   3.464
  375   1HG1  VAL  50          2HG1      VAL  50   7.132   3.165   0.785
  376   2HG1  VAL  50          1HG1      VAL  50   5.837   2.665   1.873
  377   3HG1  VAL  50          3HG1      VAL  50   6.989   3.900   2.382
  378   1HG2  VAL  50          2HG2      VAL  50   7.605   0.093   1.248
  379   2HG2  VAL  50          1HG2      VAL  50   7.337  -0.120   2.977
  380   3HG2  VAL  50          3HG2      VAL  50   6.092   0.628   1.978
  381    H    VAL  51           HN       VAL  51  10.418   2.478   3.894
  382    HA   VAL  51           HA       VAL  51  10.441   5.341   3.823
  383    HB   VAL  51           HB       VAL  51  12.406   3.514   5.237
  384   1HG1  VAL  51          2HG1      VAL  51  11.566   6.397   5.565
  385   2HG1  VAL  51          1HG1      VAL  51  12.319   5.496   6.880
  386   3HG1  VAL  51          3HG1      VAL  51  13.194   5.749   5.369
  387   1HG2  VAL  51          3HG2      VAL  51   9.548   4.190   5.734
  388   2HG2  VAL  51          2HG2      VAL  51  10.451   2.738   6.165
  389   3HG2  VAL  51          1HG2      VAL  51  10.616   4.200   7.137
  390    H    SER  52           HN       SER  52  12.586   2.901   2.487
  391    HA   SER  52           HA       SER  52  14.802   4.653   1.917
  392   1HB   SER  52          2HB       SER  52  15.655   2.860   0.585
  393   2HB   SER  52          1HB       SER  52  14.812   2.096   1.930
  394    HG   SER  52           HG       SER  52  13.866   1.090   0.314
  395    H    LEU  53           HN       LEU  53  11.809   3.872   0.241
  396    HA   LEU  53           HA       LEU  53  12.533   5.033  -2.300
  397   1HB   LEU  53          2HB       LEU  53   9.772   4.715  -1.084
  398   2HB   LEU  53          1HB       LEU  53  10.141   4.948  -2.792
  399    HG   LEU  53           HG       LEU  53  11.164   2.609  -1.162
  400   1HD1  LEU  53          1HD1      LEU  53   8.691   2.573  -1.333
  401   2HD1  LEU  53          3HD1      LEU  53   8.820   2.734  -3.085
  402   3HD1  LEU  53          2HD1      LEU  53   9.426   1.283  -2.285
  403   1HD2  LEU  53          2HD2      LEU  53  12.481   3.215  -3.171
  404   2HD2  LEU  53          1HD2      LEU  53  11.657   1.671  -3.390
  405   3HD2  LEU  53          3HD2      LEU  53  11.018   3.129  -4.150
  406    H    GLY  54           HN       GLY  54  10.166   6.289   0.076
  407   1HA   GLY  54          2HA       GLY  54  10.292   8.529   1.024
  408   2HA   GLY  54          1HA       GLY  54  11.303   9.010  -0.339
  409    H    ILE  55           HN       ILE  55   8.154   7.319  -0.234
  410    HA   ILE  55           HA       ILE  55   7.107   8.739  -2.493
  411    HB   ILE  55           HB       ILE  55   5.563   7.363  -0.269
  412   1HG1  ILE  55          2HG1      ILE  55   6.163   6.075  -2.901
  413   2HG1  ILE  55          1HG1      ILE  55   7.458   6.133  -1.704
  414   1HG2  ILE  55          2HG2      ILE  55   4.883   8.348  -3.031
  415   2HG2  ILE  55          1HG2      ILE  55   4.016   6.973  -2.346
  416   3HG2  ILE  55          3HG2      ILE  55   3.974   8.537  -1.532
  417   1HD1  ILE  55          1HD1      ILE  55   5.886   5.124  -0.034
  418   2HD1  ILE  55          3HD1      ILE  55   4.695   4.948  -1.322
  419   3HD1  ILE  55          2HD1      ILE  55   6.218   4.064  -1.404
  420    H    ALA  56           HN       ALA  56   5.364  10.340  -2.476
  421    HA   ALA  56           HA       ALA  56   5.190  11.931   0.041
  422   1HB   ALA  56          1HB       ALA  56   6.780  12.696  -2.056
  423   2HB   ALA  56          3HB       ALA  56   5.268  13.513  -2.451
  424   3HB   ALA  56          2HB       ALA  56   6.054  13.813  -0.901
  425    H    LYS  57           HN       LYS  57   3.544  13.932  -0.765
  426    HA   LYS  57           HA       LYS  57   1.024  12.502  -1.244
  427   1HB   LYS  57          2HB       LYS  57   0.004  14.758  -0.869
  428   2HB   LYS  57          1HB       LYS  57   1.049  14.245   0.455
  429   1HG   LYS  57          2HG       LYS  57   2.797  15.693  -0.207
  430   2HG   LYS  57          1HG       LYS  57   2.113  15.922  -1.817
  431   1HD   LYS  57          2HD       LYS  57   0.394  16.716   0.479
  432   2HD   LYS  57          1HD       LYS  57   1.804  17.729   0.164
  433   1HE   LYS  57          2HE       LYS  57   0.023  16.919  -2.116
  434   2HE   LYS  57          1HE       LYS  57  -0.454  18.255  -1.068
  435   1HZ   LYS  57          1HZ       LYS  57   1.927  19.077  -1.481
  436   2HZ   LYS  57          3HZ       LYS  57   1.911  18.025  -2.812
  437   3HZ   LYS  57          2HZ       LYS  57   0.775  19.284  -2.712
  438    H    GLY  58           HN       GLY  58  -0.401  12.959  -3.005
  439   1HA   GLY  58          2HA       GLY  58  -0.989  13.640  -5.184
  440   2HA   GLY  58          1HA       GLY  58   0.366  14.769  -5.148
  441    H    ALA  59           HN       ALA  59   0.291  11.217  -4.785
  442    HA   ALA  59           HA       ALA  59   2.018  11.035  -7.220
  443   1HB   ALA  59          1HB       ALA  59   3.047  10.702  -4.757
  444   2HB   ALA  59          3HB       ALA  59   2.434   9.069  -5.020
  445   3HB   ALA  59          2HB       ALA  59   3.603   9.763  -6.143
  446    H    GLU  60           HN       GLU  60   2.160   8.515  -7.789
  447    HA   GLU  60           HA       GLU  60  -0.591   7.367  -7.532
  448   1HB   GLU  60          2HB       GLU  60   1.174   7.240  -9.996
  449   2HB   GLU  60          1HB       GLU  60  -0.476   6.633  -9.847
  450   1HG   GLU  60          2HG       GLU  60  -0.981   9.134  -9.127
  451   2HG   GLU  60          1HG       GLU  60   0.494   9.460 -10.040
  452    H    ILE  61           HN       ILE  61  -0.679   5.085  -7.387
  453    HA   ILE  61           HA       ILE  61   1.901   3.611  -7.358
  454    HB   ILE  61           HB       ILE  61   1.239   2.536  -5.186
  455   1HG1  ILE  61          2HG1      ILE  61  -0.779   4.802  -5.084
  456   2HG1  ILE  61          1HG1      ILE  61  -1.193   3.114  -5.387
  457   1HG2  ILE  61          1HG2      ILE  61   1.636   5.541  -5.242
  458   2HG2  ILE  61          3HG2      ILE  61   1.795   4.557  -3.786
  459   3HG2  ILE  61          2HG2      ILE  61   2.891   4.306  -5.146
  460   1HD1  ILE  61          1HD1      ILE  61   0.186   2.710  -3.164
  461   2HD1  ILE  61          3HD1      ILE  61  -0.212   4.401  -2.864
  462   3HD1  ILE  61          2HD1      ILE  61  -1.501   3.218  -3.087
  463    H    THR  62           HN       THR  62   1.580   1.267  -7.496
  464    HA   THR  62           HA       THR  62  -1.163   0.475  -8.373
  465    HB   THR  62           HB       THR  62   1.279  -0.656  -9.712
  466    HG1  THR  62           HG1      THR  62   1.486   1.559  -9.960
  467   1HG2  THR  62          1HG2      THR  62  -1.660  -0.414 -10.247
  468   2HG2  THR  62          3HG2      THR  62  -0.551  -0.566 -11.610
  469   3HG2  THR  62          2HG2      THR  62  -0.614  -1.828 -10.379
  470    H    ILE  63           HN       ILE  63  -1.780  -0.957  -6.828
  471    HA   ILE  63           HA       ILE  63   0.222  -2.757  -5.594
  472    HB   ILE  63           HB       ILE  63  -2.727  -2.317  -5.006
  473   1HG1  ILE  63          2HG1      ILE  63  -0.247  -1.459  -3.480
  474   2HG1  ILE  63          1HG1      ILE  63  -1.197  -0.396  -4.520
  475   1HG2  ILE  63          3HG2      ILE  63  -0.624  -4.083  -3.754
  476   2HG2  ILE  63          2HG2      ILE  63  -1.989  -3.488  -2.808
  477   3HG2  ILE  63          1HG2      ILE  63  -2.272  -4.497  -4.226
  478   1HD1  ILE  63          3HD1      ILE  63  -3.213  -1.204  -3.049
  479   2HD1  ILE  63          2HD1      ILE  63  -1.956  -1.638  -1.891
  480   3HD1  ILE  63          1HD1      ILE  63  -2.127   0.036  -2.419
  481    H    SER  64           HN       SER  64  -0.057  -5.070  -5.632
  482    HA   SER  64           HA       SER  64  -2.072  -6.191  -7.477
  483   1HB   SER  64          2HB       SER  64  -0.017  -7.516  -8.514
  484   2HB   SER  64          1HB       SER  64  -0.495  -5.945  -9.153
  485    HG   SER  64           HG       SER  64   1.838  -6.541  -8.306
  486    H    ALA  65           HN       ALA  65  -2.935  -7.700  -6.132
  487    HA   ALA  65           HA       ALA  65  -1.208  -9.178  -4.239
  488   1HB   ALA  65          2HB       ALA  65  -3.440  -8.331  -3.518
  489   2HB   ALA  65          1HB       ALA  65  -4.199  -9.376  -4.719
  490   3HB   ALA  65          3HB       ALA  65  -3.312 -10.083  -3.370
  491    H    SER  66           HN       SER  66  -0.392 -11.167  -4.747
  492    HA   SER  66           HA       SER  66  -1.816 -12.814  -6.780
  493   1HB   SER  66          2HB       SER  66   0.680 -11.474  -7.183
  494   2HB   SER  66          1HB       SER  66   0.994 -13.206  -7.130
  495    HG   SER  66           HG       SER  66  -0.495 -11.693  -8.927
  496    H    GLY  67           HN       GLY  67  -2.433 -14.473  -5.442
  497   1HA   GLY  67          2HA       GLY  67  -0.602 -16.455  -4.609
  498   2HA   GLY  67          1HA       GLY  67  -0.921 -15.436  -3.205
  499    H    ALA  68           HN       ALA  68  -2.349 -16.536  -1.942
  500    HA   ALA  68           HA       ALA  68  -4.471 -18.176  -3.180
  501   1HB   ALA  68          1HB       ALA  68  -3.357 -17.830  -0.423
  502   2HB   ALA  68          3HB       ALA  68  -5.009 -18.427  -0.585
  503   3HB   ALA  68          2HB       ALA  68  -3.674 -19.311  -1.325
  504    H    ASP  69           HN       ASP  69  -4.658 -15.948  -0.394
  505    HA   ASP  69           HA       ASP  69  -7.329 -15.090  -1.328
  506   1HB   ASP  69          2HB       ASP  69  -7.372 -13.858   0.878
  507   2HB   ASP  69          1HB       ASP  69  -7.178 -15.603   1.028
  508    H    GLU  70           HN       GLU  70  -5.569 -14.197  -3.135
  509    HA   GLU  70           HA       GLU  70  -4.354 -11.654  -2.557
  510   1HB   GLU  70          2HB       GLU  70  -4.181 -11.427  -5.016
  511   2HB   GLU  70          1HB       GLU  70  -3.653 -13.021  -4.479
  512   1HG   GLU  70          2HG       GLU  70  -5.882 -13.944  -5.056
  513   2HG   GLU  70          1HG       GLU  70  -6.383 -12.351  -5.622
  514    H    ASN  71           HN       ASN  71  -7.577 -12.616  -3.572
  515    HA   ASN  71           HA       ASN  71  -8.432  -9.941  -4.325
  516   1HB   ASN  71          2HB       ASN  71  -9.813 -12.568  -3.839
  517   2HB   ASN  71          1HB       ASN  71 -10.764 -11.090  -3.996
  518   1HD2  ASN  71          2HD2      ASN  71  -8.876 -12.640  -7.278
  519   2HD2  ASN  71          1HD2      ASN  71  -8.530 -13.249  -5.732
  520    H    ASP  72           HN       ASP  72  -8.634 -11.921  -1.395
  521    HA   ASP  72           HA       ASP  72 -10.293 -10.025   0.047
  522   1HB   ASP  72          2HB       ASP  72  -8.530 -12.252   1.109
  523   2HB   ASP  72          1HB       ASP  72  -9.798 -11.417   2.007
  524    H    ALA  73           HN       ALA  73  -6.857 -10.378  -0.496
  525    HA   ALA  73           HA       ALA  73  -6.094  -8.685   1.761
  526   1HB   ALA  73          1HB       ALA  73  -4.702 -10.535   0.511
  527   2HB   ALA  73          3HB       ALA  73  -4.291  -9.209  -0.576
  528   3HB   ALA  73          2HB       ALA  73  -3.893  -9.099   1.138
  529    H    LEU  74           HN       LEU  74  -6.348  -8.243  -1.785
  530    HA   LEU  74           HA       LEU  74  -5.333  -5.579  -1.803
  531   1HB   LEU  74          2HB       LEU  74  -6.293  -5.371  -4.024
  532   2HB   LEU  74          1HB       LEU  74  -5.603  -6.978  -3.841
  533    HG   LEU  74           HG       LEU  74  -8.060  -7.597  -3.074
  534   1HD1  LEU  74          2HD1      LEU  74  -8.400  -4.893  -3.734
  535   2HD1  LEU  74          1HD1      LEU  74  -9.041  -5.761  -5.127
  536   3HD1  LEU  74          3HD1      LEU  74  -9.684  -6.081  -3.517
  537   1HD2  LEU  74          3HD2      LEU  74  -6.823  -8.499  -5.036
  538   2HD2  LEU  74          2HD2      LEU  74  -8.531  -8.243  -5.393
  539   3HD2  LEU  74          1HD2      LEU  74  -7.326  -7.094  -5.975
  540    H    ASN  75           HN       ASN  75  -8.684  -6.764  -1.428
  541    HA   ASN  75           HA       ASN  75  -9.766  -4.067  -1.326
  542   1HB   ASN  75          2HB       ASN  75 -11.871  -5.113  -0.682
  543   2HB   ASN  75          1HB       ASN  75 -11.146  -6.036  -1.995
  544   1HD2  ASN  75          2HD2      ASN  75 -12.113  -8.024   1.269
  545   2HD2  ASN  75          1HD2      ASN  75 -12.821  -6.573   0.746
  546    H    ALA  76           HN       ALA  76  -8.396  -6.282   1.008
  547    HA   ALA  76           HA       ALA  76  -9.464  -5.124   3.395
  548   1HB   ALA  76          3HB       ALA  76  -8.124  -7.298   3.160
  549   2HB   ALA  76          2HB       ALA  76  -6.682  -6.283   3.129
  550   3HB   ALA  76          1HB       ALA  76  -7.728  -6.286   4.550
  551    H    LEU  77           HN       LEU  77  -6.213  -4.609   1.951
  552    HA   LEU  77           HA       LEU  77  -5.574  -2.347   3.568
  553   1HB   LEU  77          2HB       LEU  77  -4.580  -2.923   0.764
  554   2HB   LEU  77          1HB       LEU  77  -3.778  -1.939   1.988
  555    HG   LEU  77           HG       LEU  77  -4.342  -4.498   3.157
  556   1HD1  LEU  77          2HD1      LEU  77  -4.226  -4.902   0.483
  557   2HD1  LEU  77          1HD1      LEU  77  -2.507  -4.974   0.872
  558   3HD1  LEU  77          3HD1      LEU  77  -3.637  -6.075   1.662
  559   1HD2  LEU  77          1HD2      LEU  77  -2.487  -2.821   3.641
  560   2HD2  LEU  77          3HD2      LEU  77  -1.977  -4.506   3.559
  561   3HD2  LEU  77          2HD2      LEU  77  -1.676  -3.429   2.198
  562    H    GLU  78           HN       GLU  78  -7.449  -2.645   0.608
  563    HA   GLU  78           HA       GLU  78  -7.367   0.058  -0.270
  564   1HB   GLU  78          2HB       GLU  78  -8.347  -1.788  -1.595
  565   2HB   GLU  78          1HB       GLU  78  -9.671  -1.909  -0.442
  566   1HG   GLU  78          2HG       GLU  78  -9.319   0.833  -1.384
  567   2HG   GLU  78          1HG       GLU  78  -9.603  -0.282  -2.719
  568    H    GLU  79           HN       GLU  79  -9.876  -1.502   1.770
  569    HA   GLU  79           HA       GLU  79 -11.258   0.912   2.399
  570   1HB   GLU  79          2HB       GLU  79 -12.193  -0.400   4.312
  571   2HB   GLU  79          1HB       GLU  79 -12.285  -1.264   2.777
  572   1HG   GLU  79          2HG       GLU  79 -10.408  -2.637   3.325
  573   2HG   GLU  79          1HG       GLU  79  -9.986  -1.627   4.708
  574    H    THR  80           HN       THR  80  -8.366  -0.545   3.750
  575    HA   THR  80           HA       THR  80  -8.318   0.959   6.209
  576    HB   THR  80           HB       THR  80  -5.863   0.011   4.725
  577    HG1  THR  80           HG1      THR  80  -7.710  -1.498   6.258
  578   1HG2  THR  80          2HG2      THR  80  -6.031   1.317   7.049
  579   2HG2  THR  80          1HG2      THR  80  -6.346  -0.309   7.653
  580   3HG2  THR  80          3HG2      THR  80  -4.845   0.037   6.794
  581    H    MET  81           HN       MET  81  -7.262   1.604   2.920
  582    HA   MET  81           HA       MET  81  -5.728   3.979   3.535
  583   1HB   MET  81          2HB       MET  81  -6.702   2.577   1.116
  584   2HB   MET  81          1HB       MET  81  -6.508   4.319   0.934
  585   1HG   MET  81          2HG       MET  81  -4.264   3.062   2.358
  586   2HG   MET  81          1HG       MET  81  -4.476   2.434   0.726
  587   1HE   MET  81          1HE       MET  81  -2.209   3.092   0.582
  588   2HE   MET  81          3HE       MET  81  -2.635   3.709  -1.020
  589   3HE   MET  81          2HE       MET  81  -1.615   4.663   0.054
  590    H    LYS  82           HN       LYS  82  -9.110   3.298   2.877
  591    HA   LYS  82           HA       LYS  82  -9.839   6.115   2.568
  592   1HB   LYS  82          2HB       LYS  82 -11.274   3.493   2.576
  593   2HB   LYS  82          1HB       LYS  82 -12.210   4.943   2.945
  594   1HG   LYS  82          2HG       LYS  82 -11.963   5.810   0.831
  595   2HG   LYS  82          1HG       LYS  82 -10.366   5.094   0.611
  596   1HD   LYS  82          2HD       LYS  82 -11.524   3.688  -0.780
  597   2HD   LYS  82          1HD       LYS  82 -11.843   2.838   0.733
  598   1HE   LYS  82          2HE       LYS  82 -13.881   4.495   0.902
  599   2HE   LYS  82          1HE       LYS  82 -13.654   4.644  -0.841
  600   1HZ   LYS  82          2HZ       LYS  82 -13.703   2.167  -0.926
  601   2HZ   LYS  82          1HZ       LYS  82 -14.185   2.170   0.704
  602   3HZ   LYS  82          3HZ       LYS  82 -15.175   2.887  -0.473
  603    H    SER  83           HN       SER  83  -9.552   3.835   5.199
  604    HA   SER  83           HA       SER  83 -11.278   5.261   7.044
  605   1HB   SER  83          2HB       SER  83  -9.836   3.864   8.739
  606   2HB   SER  83          1HB       SER  83 -10.964   3.034   7.670
  607    HG   SER  83           HG       SER  83  -8.707   2.230   7.790
  608    H    GLU  84           HN       GLU  84  -7.739   4.767   7.276
  609    HA   GLU  84           HA       GLU  84  -7.335   7.011   9.003
  610   1HB   GLU  84          2HB       GLU  84  -5.428   5.510   7.187
  611   2HB   GLU  84          1HB       GLU  84  -4.913   6.747   8.334
  612   1HG   GLU  84          2HG       GLU  84  -4.733   5.014   9.796
  613   2HG   GLU  84          1HG       GLU  84  -6.485   5.162   9.928
  614    H    GLY  85           HN       GLY  85  -7.473   6.705   5.510
  615   1HA   GLY  85          2HA       GLY  85  -7.854   8.503   3.986
  616   2HA   GLY  85          1HA       GLY  85  -7.460   9.646   5.272
  617    H    LEU  86           HN       LEU  86  -5.595   6.868   4.051
  618    HA   LEU  86           HA       LEU  86  -3.179   8.518   3.936
  619   1HB   LEU  86          2HB       LEU  86  -3.721   5.622   3.239
  620   2HB   LEU  86          1HB       LEU  86  -2.130   6.375   3.131
  621    HG   LEU  86           HG       LEU  86  -3.814   6.292   5.651
  622   1HD1  LEU  86          3HD1      LEU  86  -1.588   4.535   4.620
  623   2HD1  LEU  86          2HD1      LEU  86  -1.902   4.697   6.348
  624   3HD1  LEU  86          1HD1      LEU  86  -3.150   4.052   5.281
  625   1HD2  LEU  86          3HD2      LEU  86  -1.044   7.287   4.964
  626   2HD2  LEU  86          2HD2      LEU  86  -2.342   8.147   5.794
  627   3HD2  LEU  86          1HD2      LEU  86  -1.475   6.850   6.617
  628    H    GLY  87           HN       GLY  87  -5.478   7.100   1.664
  629   1HA   GLY  87          2HA       GLY  87  -4.955   8.966  -0.403
  630   2HA   GLY  87          1HA       GLY  87  -3.982   7.532  -0.734
  631    H    GLU  88           HN       GLU  88  -6.251   8.523  -2.291
  632    HA   GLU  88           HA       GLU  88  -7.938   6.070  -2.155
  633   1HB   GLU  88          2HB       GLU  88  -9.938   7.492  -2.683
  634   2HB   GLU  88          1HB       GLU  88  -9.264   7.802  -1.082
  635   1HG   GLU  88          2HG       GLU  88  -7.900   9.671  -2.194
  636   2HG   GLU  88          1HG       GLU  88  -8.970   9.473  -3.581
   
  No H/Q in entry =         636
  Start of MODEL   24
    1   1H    ALA   2          3HT       ALA   2  -4.916  -9.653  -9.274
    2   2H    ALA   2          2HT       ALA   2  -6.294 -10.644  -9.348
    3   3H    ALA   2          1HT       ALA   2  -6.313  -9.102 -10.061
    4    HA   ALA   2           HA       ALA   2  -7.488  -8.815  -8.083
    5   1HB   ALA   2          1HB       ALA   2  -5.434 -10.735  -7.068
    6   2HB   ALA   2          3HB       ALA   2  -6.129  -9.590  -5.922
    7   3HB   ALA   2          2HB       ALA   2  -7.175 -10.710  -6.795
    8    H    GLN   3           HN       GLN   3  -5.319  -7.428  -9.570
    9    HA   GLN   3           HA       GLN   3  -3.855  -5.985  -7.440
   10   1HB   GLN   3          2HB       GLN   3  -2.816  -4.766  -9.385
   11   2HB   GLN   3          1HB       GLN   3  -2.558  -6.508  -9.411
   12   1HG   GLN   3          2HG       GLN   3  -4.021  -6.839 -11.184
   13   2HG   GLN   3          1HG       GLN   3  -4.959  -5.391 -10.812
   14   1HE2  GLN   3          2HE2      GLN   3  -2.482  -3.201 -12.372
   15   2HE2  GLN   3          1HE2      GLN   3  -3.432  -3.273 -10.968
   16    H    LYS   4           HN       LYS   4  -4.037  -3.677  -7.194
   17    HA   LYS   4           HA       LYS   4  -6.389  -2.392  -8.484
   18   1HB   LYS   4          2HB       LYS   4  -6.766  -3.489  -6.063
   19   2HB   LYS   4          1HB       LYS   4  -6.074  -1.951  -5.553
   20   1HG   LYS   4          2HG       LYS   4  -7.756  -0.770  -6.977
   21   2HG   LYS   4          1HG       LYS   4  -8.492  -2.332  -7.340
   22   1HD   LYS   4          2HD       LYS   4  -8.498  -2.563  -4.694
   23   2HD   LYS   4          1HD       LYS   4  -8.470  -0.800  -4.769
   24   1HE   LYS   4          2HE       LYS   4 -10.403  -2.211  -6.549
   25   2HE   LYS   4          1HE       LYS   4 -10.768  -2.178  -4.824
   26   1HZ   LYS   4          1HZ       LYS   4 -10.304   0.289  -4.971
   27   2HZ   LYS   4          3HZ       LYS   4 -10.379   0.112  -6.656
   28   3HZ   LYS   4          2HZ       LYS   4 -11.736  -0.257  -5.704
   29    H    THR   5           HN       THR   5  -6.243  -0.088  -8.515
   30    HA   THR   5           HA       THR   5  -3.484   0.925  -8.077
   31    HB   THR   5           HB       THR   5  -5.756   2.399  -9.421
   32    HG1  THR   5           HG1      THR   5  -3.855   0.699 -10.652
   33   1HG2  THR   5          1HG2      THR   5  -3.580   3.546  -8.746
   34   2HG2  THR   5          3HG2      THR   5  -2.778   2.511  -9.928
   35   3HG2  THR   5          2HG2      THR   5  -4.010   3.659 -10.453
   36    H    PHE   6           HN       PHE   6  -3.135   2.904  -6.906
   37    HA   PHE   6           HA       PHE   6  -5.410   3.910  -5.281
   38   1HB   PHE   6          2HB       PHE   6  -2.769   2.909  -4.176
   39   2HB   PHE   6          1HB       PHE   6  -3.933   3.852  -3.248
   40    HD1  PHE   6          2HD       PHE   6  -6.127   2.922  -2.646
   41    HD2  PHE   6          1HD       PHE   6  -3.220   0.598  -4.790
   42    HE1  PHE   6          2HE       PHE   6  -7.400   0.856  -2.135
   43    HE2  PHE   6          1HE       PHE   6  -4.493  -1.467  -4.279
   44    HZ   PHE   6           HZ       PHE   6  -6.584  -1.338  -2.950
   45    H    LYS   7           HN       LYS   7  -5.129   6.086  -4.615
   46    HA   LYS   7           HA       LYS   7  -2.835   7.486  -5.931
   47   1HB   LYS   7          2HB       LYS   7  -5.707   8.182  -5.516
   48   2HB   LYS   7          1HB       LYS   7  -4.539   9.500  -5.433
   49   1HG   LYS   7          2HG       LYS   7  -4.300   7.561  -7.695
   50   2HG   LYS   7          1HG       LYS   7  -5.604   8.748  -7.757
   51   1HD   LYS   7          2HD       LYS   7  -3.890  10.542  -7.311
   52   2HD   LYS   7          1HD       LYS   7  -2.638   9.311  -7.489
   53   1HE   LYS   7          2HE       LYS   7  -3.424   8.827  -9.773
   54   2HE   LYS   7          1HE       LYS   7  -4.694  10.039  -9.599
   55   1HZ   LYS   7          2HZ       LYS   7  -1.861  10.743  -9.169
   56   2HZ   LYS   7          1HZ       LYS   7  -2.516  10.709 -10.737
   57   3HZ   LYS   7          3HZ       LYS   7  -3.164  11.758  -9.571
   58    H    VAL   8           HN       VAL   8  -1.309   8.116  -4.505
   59    HA   VAL   8           HA       VAL   8  -1.798   8.184  -1.643
   60    HB   VAL   8           HB       VAL   8   0.594   9.324  -3.115
   61   1HG1  VAL   8          1HG1      VAL   8   0.312   9.818  -0.669
   62   2HG1  VAL   8          3HG1      VAL   8   0.327   8.080  -0.362
   63   3HG1  VAL   8          2HG1      VAL   8   1.755   8.871  -1.030
   64   1HG2  VAL   8          2HG2      VAL   8   0.032   6.472  -2.233
   65   2HG2  VAL   8          1HG2      VAL   8   0.246   7.031  -3.892
   66   3HG2  VAL   8          3HG2      VAL   8   1.606   7.060  -2.769
   67    H    THR   9           HN       THR   9  -2.938   9.825  -0.741
   68    HA   THR   9           HA       THR   9  -2.370  12.602  -1.695
   69    HB   THR   9           HB       THR   9  -5.054  11.921  -0.560
   70    HG1  THR   9           HG1      THR   9  -5.712  10.997  -2.372
   71   1HG2  THR   9          1HG2      THR   9  -4.067  13.796  -2.729
   72   2HG2  THR   9          3HG2      THR   9  -5.732  13.687  -2.157
   73   3HG2  THR   9          2HG2      THR   9  -4.461  14.248  -1.070
   74    H    ALA  10           HN       ALA  10  -1.539  10.776   0.722
   75    HA   ALA  10           HA       ALA  10  -2.640  12.171   3.025
   76   1HB   ALA  10          2HB       ALA  10  -0.691   9.984   2.539
   77   2HB   ALA  10          1HB       ALA  10  -0.439  10.929   4.007
   78   3HB   ALA  10          3HB       ALA  10  -1.973  10.101   3.746
   79    H    ASP  11           HN       ASP  11  -1.717  13.895   4.122
   80    HA   ASP  11           HA       ASP  11   0.078  15.643   2.778
   81   1HB   ASP  11          2HB       ASP  11  -1.065  15.446   5.517
   82   2HB   ASP  11          1HB       ASP  11   0.390  16.429   5.345
   83    H    SER  12           HN       SER  12   0.683  13.276   5.374
   84    HA   SER  12           HA       SER  12   3.534  13.850   5.482
   85   1HB   SER  12          2HB       SER  12   3.492  11.550   6.726
   86   2HB   SER  12          1HB       SER  12   2.713  12.938   7.481
   87    HG   SER  12           HG       SER  12   0.797  12.087   7.093
   88    H    GLY  13           HN       GLY  13   1.469  11.642   3.698
   89   1HA   GLY  13          2HA       GLY  13   2.132  10.653   1.599
   90   2HA   GLY  13          1HA       GLY  13   3.821  10.833   2.077
   91    H    ILE  14           HN       ILE  14   3.848   8.482   1.366
   92    HA   ILE  14           HA       ILE  14   2.713   6.650   3.419
   93    HB   ILE  14           HB       ILE  14   4.048   5.976   0.781
   94   1HG1  ILE  14          2HG1      ILE  14   1.096   6.075   1.483
   95   2HG1  ILE  14          1HG1      ILE  14   1.937   7.312   0.549
   96   1HG2  ILE  14          3HG2      ILE  14   2.792   4.417   2.995
   97   2HG2  ILE  14          2HG2      ILE  14   2.473   3.877   1.348
   98   3HG2  ILE  14          1HG2      ILE  14   4.133   3.981   1.935
   99   1HD1  ILE  14          3HD1      ILE  14   2.131   4.440  -0.305
  100   2HD1  ILE  14          2HD1      ILE  14   0.683   5.366  -0.703
  101   3HD1  ILE  14          1HD1      ILE  14   2.260   5.903  -1.281
  102   1HN   HIP  15           HN       HIP  15   4.326   7.308   5.026
  103    HA   HIP  15           HA       HIP  15   7.068   6.341   4.432
  104   1HB   HIP  15          1HB       HIP  15   6.902   8.692   5.162
  105   2HB   HIP  15          2HB       HIP  15   7.831   7.726   6.286
  106    HD2  HIP  15          2HD       HIP  15   4.013   8.830   6.140
  107    HE2  HIP  15          2HE       HIP  15   3.367   9.404   8.589
  108    HE1  HIP  15          1HE       HIP  15   5.336   9.027  10.131
  109    H    ALA  16           HN       ALA  16   7.819   6.002   7.197
  110    HA   ALA  16           HA       ALA  16   7.261   3.284   7.566
  111   1HB   ALA  16          1HB       ALA  16   8.933   5.021   8.751
  112   2HB   ALA  16          3HB       ALA  16   7.723   4.877  10.026
  113   3HB   ALA  16          2HB       ALA  16   8.558   3.440   9.436
  114    H    ARG  17           HN       ARG  17   5.446   6.048   8.944
  115    HA   ARG  17           HA       ARG  17   3.890   4.567  10.795
  116   1HB   ARG  17          2HB       ARG  17   3.550   7.156   9.379
  117   2HB   ARG  17          1HB       ARG  17   2.112   6.457  10.115
  118   1HG   ARG  17          2HG       ARG  17   4.480   6.328  11.853
  119   2HG   ARG  17          1HG       ARG  17   4.018   7.976  11.435
  120   1HD   ARG  17          2HD       ARG  17   2.151   7.891  12.709
  121   2HD   ARG  17          1HD       ARG  17   1.719   6.285  12.122
  122    HE   ARG  17           HE       ARG  17   3.014   5.322  13.909
  123   1HH1  ARG  17          HH21      ARG  17   5.137   7.551  13.831
  124   2HH1  ARG  17          HH22      ARG  17   4.902   8.268  15.390
  125   1HH2  ARG  17          HH11      ARG  17   1.821   6.765  15.911
  126   2HH2  ARG  17          HH12      ARG  17   3.024   7.823  16.568
  127    HA   PRO  18           HA       PRO  18   0.532   3.802   7.482
  128   1HB   PRO  18          2HB       PRO  18   1.110   4.445   4.866
  129   2HB   PRO  18          1HB       PRO  18   0.264   5.525   5.988
  130   1HG   PRO  18          2HG       PRO  18   3.119   5.612   5.083
  131   2HG   PRO  18          1HG       PRO  18   2.036   6.948   5.511
  132   1HD   PRO  18          2HD       PRO  18   4.012   5.961   7.195
  133   2HD   PRO  18          1HD       PRO  18   2.567   6.831   7.746
  134    H    ALA  19           HN       ALA  19   3.901   3.225   7.002
  135    HA   ALA  19           HA       ALA  19   3.577   0.957   5.186
  136   1HB   ALA  19          2HB       ALA  19   5.673   2.469   5.482
  137   2HB   ALA  19          1HB       ALA  19   6.003   1.477   6.901
  138   3HB   ALA  19          3HB       ALA  19   5.924   0.733   5.304
  139    H    THR  20           HN       THR  20   3.604   1.521   8.638
  140    HA   THR  20           HA       THR  20   3.979  -1.300   9.326
  141    HB   THR  20           HB       THR  20   2.835   0.679  11.256
  142    HG1  THR  20           HG1      THR  20   5.475   0.691  10.226
  143   1HG2  THR  20          2HG2      THR  20   3.490  -1.767  11.725
  144   2HG2  THR  20          1HG2      THR  20   5.160  -1.217  11.584
  145   3HG2  THR  20          3HG2      THR  20   4.113  -0.543  12.832
  146    H    VAL  21           HN       VAL  21   1.331   0.940   8.787
  147    HA   VAL  21           HA       VAL  21  -0.747  -0.703   9.956
  148    HB   VAL  21           HB       VAL  21  -1.019   1.344   7.759
  149   1HG1  VAL  21          3HG1      VAL  21  -2.980  -0.136   8.232
  150   2HG1  VAL  21          2HG1      VAL  21  -2.968   0.445   9.897
  151   3HG1  VAL  21          1HG1      VAL  21  -3.300   1.564   8.575
  152   1HG2  VAL  21          1HG2      VAL  21   0.141   1.912  10.137
  153   2HG2  VAL  21          3HG2      VAL  21  -0.906   3.054   9.296
  154   3HG2  VAL  21          2HG2      VAL  21  -1.553   2.060  10.600
  155    H    LEU  22           HN       LEU  22   0.497  -0.206   6.692
  156    HA   LEU  22           HA       LEU  22  -1.318  -2.013   5.394
  157   1HB   LEU  22          2HB       LEU  22   1.397  -0.934   4.612
  158   2HB   LEU  22          1HB       LEU  22   0.356  -1.861   3.525
  159    HG   LEU  22           HG       LEU  22  -0.494   0.693   4.929
  160   1HD1  LEU  22          2HD1      LEU  22   0.761   0.155   2.241
  161   2HD1  LEU  22          1HD1      LEU  22  -0.360   1.504   2.435
  162   3HD1  LEU  22          3HD1      LEU  22   1.119   1.442   3.394
  163   1HD2  LEU  22          2HD2      LEU  22  -1.718  -1.049   2.764
  164   2HD2  LEU  22          1HD2      LEU  22  -2.389  -0.688   4.355
  165   3HD2  LEU  22          3HD2      LEU  22  -2.290   0.578   3.134
  166    H    VAL  23           HN       VAL  23   2.127  -2.401   6.340
  167    HA   VAL  23           HA       VAL  23   2.462  -5.066   5.501
  168    HB   VAL  23           HB       VAL  23   4.308  -3.639   6.334
  169   1HG1  VAL  23          3HG1      VAL  23   3.002  -2.692   8.259
  170   2HG1  VAL  23          2HG1      VAL  23   3.206  -4.231   9.094
  171   3HG1  VAL  23          1HG1      VAL  23   4.615  -3.246   8.700
  172   1HG2  VAL  23          3HG2      VAL  23   4.153  -6.314   6.491
  173   2HG2  VAL  23          2HG2      VAL  23   5.566  -5.429   7.064
  174   3HG2  VAL  23          1HG2      VAL  23   4.335  -5.963   8.209
  175    H    GLN  24           HN       GLN  24   0.784  -3.832   8.328
  176    HA   GLN  24           HA       GLN  24   0.607  -6.356   9.730
  177   1HB   GLN  24          2HB       GLN  24  -0.878  -3.738   9.895
  178   2HB   GLN  24          1HB       GLN  24  -1.408  -5.132  10.833
  179   1HG   GLN  24          2HG       GLN  24   1.433  -4.893  11.132
  180   2HG   GLN  24          1HG       GLN  24   0.718  -3.309  11.423
  181   1HE2  GLN  24          2HE2      GLN  24   0.623  -5.699  14.476
  182   2HE2  GLN  24          1HE2      GLN  24   1.843  -5.525  13.309
  183    H    THR  25           HN       THR  25  -1.503  -4.654   7.426
  184    HA   THR  25           HA       THR  25  -3.656  -6.571   7.558
  185    HB   THR  25           HB       THR  25  -2.965  -4.756   5.233
  186    HG1  THR  25           HG1      THR  25  -3.283  -3.236   6.632
  187   1HG2  THR  25          2HG2      THR  25  -5.377  -6.282   6.146
  188   2HG2  THR  25          1HG2      THR  25  -5.604  -4.764   5.277
  189   3HG2  THR  25          3HG2      THR  25  -4.726  -6.091   4.518
  190    H    ALA  26           HN       ALA  26  -1.369  -5.975   4.861
  191    HA   ALA  26           HA       ALA  26  -1.921  -8.324   3.411
  192   1HB   ALA  26          1HB       ALA  26   0.614  -6.689   3.641
  193   2HB   ALA  26          3HB       ALA  26   0.434  -8.021   2.499
  194   3HB   ALA  26          2HB       ALA  26  -0.613  -6.607   2.376
  195    H    SER  27           HN       SER  27  -0.027  -7.927   6.326
  196    HA   SER  27           HA       SER  27   1.587 -10.272   6.178
  197   1HB   SER  27          2HB       SER  27   2.081  -8.743   7.931
  198   2HB   SER  27          1HB       SER  27   0.415  -8.732   8.500
  199    HG   SER  27           HG       SER  27   2.376 -10.755   8.718
  200    H    LYS  28           HN       LYS  28  -1.703  -9.787   7.459
  201    HA   LYS  28           HA       LYS  28  -2.103 -12.507   8.289
  202   1HB   LYS  28          2HB       LYS  28  -4.178 -10.478   7.398
  203   2HB   LYS  28          1HB       LYS  28  -4.481 -11.923   8.364
  204   1HG   LYS  28          2HG       LYS  28  -3.565 -11.013  10.268
  205   2HG   LYS  28          1HG       LYS  28  -2.404 -10.037   9.371
  206   1HD   LYS  28          2HD       LYS  28  -3.789  -8.307   9.887
  207   2HD   LYS  28          1HD       LYS  28  -4.773  -8.923   8.559
  208   1HE   LYS  28          2HE       LYS  28  -6.409  -9.024  10.144
  209   2HE   LYS  28          1HE       LYS  28  -5.613 -10.530  10.600
  210   1HZ   LYS  28          2HZ       LYS  28  -4.645  -7.988  11.717
  211   2HZ   LYS  28          1HZ       LYS  28  -6.042  -8.702  12.369
  212   3HZ   LYS  28          3HZ       LYS  28  -4.574  -9.552  12.377
  213    H    TYR  29           HN       TYR  29  -2.373 -10.869   5.195
  214    HA   TYR  29           HA       TYR  29  -3.708 -13.190   3.947
  215   1HB   TYR  29          2HB       TYR  29  -2.685 -10.600   2.731
  216   2HB   TYR  29          1HB       TYR  29  -3.646 -11.820   1.890
  217    HD1  TYR  29          2HD       TYR  29  -5.936 -12.446   2.907
  218    HD2  TYR  29          1HD       TYR  29  -3.750  -8.907   3.978
  219    HE1  TYR  29          2HE       TYR  29  -8.016 -11.431   3.798
  220    HE2  TYR  29          1HE       TYR  29  -5.830  -7.892   4.869
  221    HH   TYR  29           HH       TYR  29  -7.996  -8.585   5.710
  222    H    ASP  30           HN       ASP  30  -2.605 -14.785   2.923
  223    HA   ASP  30           HA       ASP  30   0.331 -14.675   2.883
  224   1HB   ASP  30          2HB       ASP  30  -1.740 -16.790   2.386
  225   2HB   ASP  30          1HB       ASP  30  -0.087 -17.042   1.824
  226    H    ALA  31           HN       ALA  31  -2.114 -13.768   0.704
  227    HA   ALA  31           HA       ALA  31  -1.075 -14.656  -1.789
  228   1HB   ALA  31          1HB       ALA  31  -2.863 -12.454  -0.880
  229   2HB   ALA  31          3HB       ALA  31  -2.148 -12.286  -2.484
  230   3HB   ALA  31          2HB       ALA  31  -3.139 -13.695  -2.102
  231    H    ASP  32           HN       ASP  32  -0.050 -13.101  -3.428
  232    HA   ASP  32           HA       ASP  32   2.300 -11.829  -2.137
  233   1HB   ASP  32          2HB       ASP  32   1.727 -12.551  -5.027
  234   2HB   ASP  32          1HB       ASP  32   3.221 -11.802  -4.462
  235    H    VAL  33           HN       VAL  33   1.230  -9.895  -1.427
  236    HA   VAL  33           HA       VAL  33   0.096  -8.133  -3.533
  237    HB   VAL  33           HB       VAL  33  -0.498  -6.667  -1.573
  238   1HG1  VAL  33          3HG1      VAL  33  -1.485  -9.390  -2.122
  239   2HG1  VAL  33          2HG1      VAL  33  -1.922  -8.782  -0.525
  240   3HG1  VAL  33          1HG1      VAL  33  -2.379  -7.877  -1.969
  241   1HG2  VAL  33          2HG2      VAL  33   1.402  -8.293  -0.260
  242   2HG2  VAL  33          1HG2      VAL  33   0.380  -7.058   0.471
  243   3HG2  VAL  33          3HG2      VAL  33  -0.153  -8.737   0.436
  244    H    ASN  34           HN       ASN  34   1.856  -7.310  -4.647
  245    HA   ASN  34           HA       ASN  34   4.009  -5.999  -3.045
  246   1HB   ASN  34          2HB       ASN  34   4.017  -6.691  -5.997
  247   2HB   ASN  34          1HB       ASN  34   5.390  -6.146  -5.034
  248   1HD2  ASN  34          2HD2      ASN  34   4.168 -10.043  -4.791
  249   2HD2  ASN  34          1HD2      ASN  34   3.212  -8.899  -5.602
  250    H    LEU  35           HN       LEU  35   4.179  -3.806  -3.091
  251    HA   LEU  35           HA       LEU  35   2.213  -2.278  -4.684
  252   1HB   LEU  35          2HB       LEU  35   2.634  -1.784  -2.251
  253   2HB   LEU  35          1HB       LEU  35   4.261  -1.264  -2.689
  254    HG   LEU  35           HG       LEU  35   2.049  -0.070  -4.269
  255   1HD1  LEU  35          2HD1      LEU  35   1.566  -0.195  -1.605
  256   2HD1  LEU  35          1HD1      LEU  35   2.564   1.258  -1.661
  257   3HD1  LEU  35          3HD1      LEU  35   1.078   1.170  -2.607
  258   1HD2  LEU  35          2HD2      LEU  35   4.701   0.364  -4.124
  259   2HD2  LEU  35          1HD2      LEU  35   3.561   1.650  -4.522
  260   3HD2  LEU  35          3HD2      LEU  35   4.173   1.492  -2.876
  261    H    GLU  36           HN       GLU  36   2.880  -0.546  -6.105
  262    HA   GLU  36           HA       GLU  36   5.718  -0.745  -7.040
  263   1HB   GLU  36          2HB       GLU  36   4.057  -1.840  -8.594
  264   2HB   GLU  36          1HB       GLU  36   3.301  -0.260  -8.805
  265   1HG   GLU  36          2HG       GLU  36   4.782  -0.262 -10.594
  266   2HG   GLU  36          1HG       GLU  36   5.779   0.495  -9.352
  267    H    TYR  37           HN       TYR  37   6.690   1.231  -7.629
  268    HA   TYR  37           HA       TYR  37   5.124   3.699  -7.745
  269   1HB   TYR  37          2HB       TYR  37   5.358   3.279  -5.282
  270   2HB   TYR  37          1HB       TYR  37   7.109   3.349  -5.480
  271    HD1  TYR  37          1HD       TYR  37   4.229   5.362  -6.817
  272    HD2  TYR  37          2HD       TYR  37   7.989   5.371  -4.739
  273    HE1  TYR  37          1HE       TYR  37   4.151   7.836  -6.688
  274    HE2  TYR  37          2HE       TYR  37   7.911   7.846  -4.610
  275    HH   TYR  37           HH       TYR  37   6.243   9.637  -4.681
  276    H    ASN  38           HN       ASN  38   6.093   4.483  -9.562
  277    HA   ASN  38           HA       ASN  38   7.765   5.283 -10.996
  278   1HB   ASN  38          2HB       ASN  38   8.316   6.316  -8.554
  279   2HB   ASN  38          1HB       ASN  38   9.793   5.391  -8.825
  280   1HD2  ASN  38          2HD2      ASN  38   8.981   8.631 -11.207
  281   2HD2  ASN  38          1HD2      ASN  38   7.749   7.962 -10.250
  282    H    GLY  39           HN       GLY  39   7.527   2.578 -11.126
  283   1HA   GLY  39          2HA       GLY  39   8.684   0.675 -11.858
  284   2HA   GLY  39          1HA       GLY  39  10.079   1.729 -12.097
  285    H    LYS  40           HN       LYS  40   8.541   1.445  -8.960
  286    HA   LYS  40           HA       LYS  40  10.891  -0.150  -8.010
  287   1HB   LYS  40          2HB       LYS  40   9.405   1.994  -6.459
  288   2HB   LYS  40          1HB       LYS  40  10.840   1.116  -5.931
  289   1HG   LYS  40          2HG       LYS  40  11.780   2.069  -8.260
  290   2HG   LYS  40          1HG       LYS  40  10.595   3.329  -7.909
  291   1HD   LYS  40          2HD       LYS  40  12.436   4.167  -6.773
  292   2HD   LYS  40          1HD       LYS  40  11.680   3.219  -5.493
  293   1HE   LYS  40          2HE       LYS  40  13.342   1.435  -6.963
  294   2HE   LYS  40          1HE       LYS  40  14.289   2.892  -6.658
  295   1HZ   LYS  40          3HZ       LYS  40  12.790   1.356  -4.605
  296   2HZ   LYS  40          2HZ       LYS  40  14.472   1.303  -4.843
  297   3HZ   LYS  40          1HZ       LYS  40  13.730   2.739  -4.321
  298    H    THR  41           HN       THR  41   9.864  -2.152  -7.928
  299    HA   THR  41           HA       THR  41   7.219  -2.366  -6.626
  300    HB   THR  41           HB       THR  41   8.823  -4.729  -7.548
  301    HG1  THR  41           HG1      THR  41   7.938  -4.309  -9.646
  302   1HG2  THR  41          1HG2      THR  41   5.956  -3.969  -7.168
  303   2HG2  THR  41          3HG2      THR  41   6.346  -5.173  -8.395
  304   3HG2  THR  41          2HG2      THR  41   6.791  -5.453  -6.713
  305    H    VAL  42           HN       VAL  42   7.457  -2.164  -4.422
  306    HA   VAL  42           HA       VAL  42   9.525  -3.871  -3.098
  307    HB   VAL  42           HB       VAL  42   8.784  -2.449  -1.024
  308   1HG1  VAL  42          3HG1      VAL  42  10.898  -2.331  -2.748
  309   2HG1  VAL  42          2HG1      VAL  42  10.272  -0.685  -2.859
  310   3HG1  VAL  42          1HG1      VAL  42  10.740  -1.348  -1.291
  311   1HG2  VAL  42          3HG2      VAL  42   6.869  -1.382  -2.282
  312   2HG2  VAL  42          2HG2      VAL  42   7.964  -0.232  -1.516
  313   3HG2  VAL  42          1HG2      VAL  42   8.064  -0.523  -3.253
  314    H    ASN  43           HN       ASN  43   8.874  -5.281  -1.431
  315    HA   ASN  43           HA       ASN  43   6.246  -6.429  -1.717
  316   1HB   ASN  43          2HB       ASN  43   8.468  -7.514  -0.864
  317   2HB   ASN  43          1HB       ASN  43   7.988  -6.859   0.703
  318   1HD2  ASN  43          2HD2      ASN  43   6.502 -10.329   0.074
  319   2HD2  ASN  43          1HD2      ASN  43   8.078  -9.740  -0.155
  320    H    LEU  44           HN       LEU  44   4.389  -6.005  -0.559
  321    HA   LEU  44           HA       LEU  44   4.024  -3.587   0.845
  322   1HB   LEU  44          2HB       LEU  44   2.259  -5.206  -0.117
  323   2HB   LEU  44          1HB       LEU  44   2.417  -6.095   1.392
  324    HG   LEU  44           HG       LEU  44   0.507  -4.440   1.327
  325   1HD1  LEU  44          3HD1      LEU  44   2.172  -5.144   3.393
  326   2HD1  LEU  44          2HD1      LEU  44   2.178  -3.384   3.499
  327   3HD1  LEU  44          1HD1      LEU  44   0.654  -4.267   3.567
  328   1HD2  LEU  44          2HD2      LEU  44   1.838  -2.668   0.076
  329   2HD2  LEU  44          1HD2      LEU  44   0.933  -2.078   1.471
  330   3HD2  LEU  44          3HD2      LEU  44   2.673  -2.337   1.593
  331    H    LYS  45           HN       LYS  45   5.282  -6.646   1.954
  332    HA   LYS  45           HA       LYS  45   5.113  -5.854   4.799
  333   1HB   LYS  45          2HB       LYS  45   6.393  -8.301   3.534
  334   2HB   LYS  45          1HB       LYS  45   6.056  -8.065   5.248
  335   1HG   LYS  45          2HG       LYS  45   3.837  -8.536   5.011
  336   2HG   LYS  45          1HG       LYS  45   3.724  -7.704   3.461
  337   1HD   LYS  45          2HD       LYS  45   5.195  -9.724   2.611
  338   2HD   LYS  45          1HD       LYS  45   4.538 -10.534   4.035
  339   1HE   LYS  45          2HE       LYS  45   2.268  -9.444   3.053
  340   2HE   LYS  45          1HE       LYS  45   3.161  -9.661   1.548
  341   1HZ   LYS  45          1HZ       LYS  45   3.623 -11.994   2.452
  342   2HZ   LYS  45          3HZ       LYS  45   2.333 -11.699   3.514
  343   3HZ   LYS  45          2HZ       LYS  45   2.074 -11.668   1.834
  344    H    SER  46           HN       SER  46   6.544  -3.962   3.594
  345    HA   SER  46           HA       SER  46   9.304  -4.448   4.549
  346   1HB   SER  46          2HB       SER  46   8.934  -4.770   1.921
  347   2HB   SER  46          1HB       SER  46   9.014  -3.010   1.932
  348    HG   SER  46           HG       SER  46  11.084  -3.853   1.705
  349    H    ILE  47           HN       ILE  47   8.585  -3.035   6.248
  350    HA   ILE  47           HA       ILE  47   7.472  -0.435   5.773
  351    HB   ILE  47           HB       ILE  47   9.058  -1.364   8.181
  352   1HG1  ILE  47          2HG1      ILE  47   6.107  -1.623   7.491
  353   2HG1  ILE  47          1HG1      ILE  47   7.253  -2.944   7.686
  354   1HG2  ILE  47          3HG2      ILE  47   8.157   1.161   7.577
  355   2HG2  ILE  47          2HG2      ILE  47   6.776   0.498   8.451
  356   3HG2  ILE  47          1HG2      ILE  47   8.363   0.547   9.217
  357   1HD1  ILE  47          2HD1      ILE  47   7.618  -1.853  10.072
  358   2HD1  ILE  47          1HD1      ILE  47   6.004  -1.208   9.777
  359   3HD1  ILE  47          3HD1      ILE  47   6.269  -2.951   9.783
  360    H    MET  48           HN       MET  48  10.811  -1.564   6.258
  361    HA   MET  48           HA       MET  48  11.939   1.112   6.195
  362   1HB   MET  48          2HB       MET  48  13.030  -0.912   7.256
  363   2HB   MET  48          1HB       MET  48  13.367  -1.498   5.627
  364   1HG   MET  48          2HG       MET  48  14.638   0.550   5.136
  365   2HG   MET  48          1HG       MET  48  14.280   1.169   6.748
  366   1HE   MET  48          3HE       MET  48  16.588   1.660   6.616
  367   2HE   MET  48          2HE       MET  48  17.809   0.670   7.411
  368   3HE   MET  48          1HE       MET  48  17.604   0.568   5.664
  369    H    GLY  49           HN       GLY  49  11.126  -1.302   3.788
  370   1HA   GLY  49          2HA       GLY  49  12.725  -0.152   1.657
  371   2HA   GLY  49          1HA       GLY  49  11.428  -1.330   1.453
  372    H    VAL  50           HN       VAL  50   9.453   0.338   2.873
  373    HA   VAL  50           HA       VAL  50   8.469   1.838   0.623
  374    HB   VAL  50           HB       VAL  50   7.622   2.059   3.527
  375   1HG1  VAL  50          3HG1      VAL  50   6.581   3.063   0.931
  376   2HG1  VAL  50          2HG1      VAL  50   5.384   2.401   2.043
  377   3HG1  VAL  50          1HG1      VAL  50   6.413   3.741   2.550
  378   1HG2  VAL  50          3HG2      VAL  50   7.604  -0.236   1.938
  379   2HG2  VAL  50          2HG2      VAL  50   6.598   0.043   3.357
  380   3HG2  VAL  50          1HG2      VAL  50   5.974   0.409   1.749
  381    H    VAL  51           HN       VAL  51  10.163   2.764   3.603
  382    HA   VAL  51           HA       VAL  51   9.930   5.608   3.192
  383    HB   VAL  51           HB       VAL  51  12.070   4.100   4.724
  384   1HG1  VAL  51          3HG1      VAL  51  12.431   6.561   4.223
  385   2HG1  VAL  51          2HG1      VAL  51  10.968   6.890   5.152
  386   3HG1  VAL  51          1HG1      VAL  51  12.366   6.159   5.940
  387   1HG2  VAL  51          2HG2      VAL  51   9.228   4.848   5.360
  388   2HG2  VAL  51          1HG2      VAL  51  10.092   3.352   5.722
  389   3HG2  VAL  51          3HG2      VAL  51  10.427   4.812   6.654
  390    H    SER  52           HN       SER  52  12.149   3.156   2.016
  391    HA   SER  52           HA       SER  52  14.246   4.915   1.149
  392   1HB   SER  52          2HB       SER  52  15.075   3.050  -0.092
  393   2HB   SER  52          1HB       SER  52  14.338   2.369   1.355
  394    HG   SER  52           HG       SER  52  13.236   1.242  -0.040
  395    H    LEU  53           HN       LEU  53  11.160   3.989  -0.248
  396    HA   LEU  53           HA       LEU  53  11.639   4.823  -2.939
  397   1HB   LEU  53          2HB       LEU  53   9.221   4.398  -1.233
  398   2HB   LEU  53          1HB       LEU  53   9.021   5.313  -2.728
  399    HG   LEU  53           HG       LEU  53  10.167   3.443  -3.952
  400   1HD1  LEU  53          2HD1      LEU  53  11.363   2.536  -1.964
  401   2HD1  LEU  53          1HD1      LEU  53   9.817   1.991  -1.311
  402   3HD1  LEU  53          3HD1      LEU  53  10.436   1.298  -2.810
  403   1HD2  LEU  53          1HD2      LEU  53   7.585   3.708  -3.428
  404   2HD2  LEU  53          3HD2      LEU  53   8.188   2.238  -4.195
  405   3HD2  LEU  53          2HD2      LEU  53   7.846   2.253  -2.464
  406    H    GLY  54           HN       GLY  54  10.021   6.597  -0.277
  407   1HA   GLY  54          2HA       GLY  54  10.423   8.916   0.244
  408   2HA   GLY  54          1HA       GLY  54  11.163   9.119  -1.345
  409    H    ILE  55           HN       ILE  55   8.007   7.693  -0.500
  410    HA   ILE  55           HA       ILE  55   6.674   9.127  -2.631
  411    HB   ILE  55           HB       ILE  55   5.436   7.715  -0.248
  412   1HG1  ILE  55          2HG1      ILE  55   5.898   6.543  -2.993
  413   2HG1  ILE  55          1HG1      ILE  55   7.107   6.394  -1.718
  414   1HG2  ILE  55          2HG2      ILE  55   4.386   8.423  -3.004
  415   2HG2  ILE  55          1HG2      ILE  55   3.527   7.430  -1.828
  416   3HG2  ILE  55          3HG2      ILE  55   3.860   9.126  -1.475
  417   1HD1  ILE  55          1HD1      ILE  55   4.242   5.647  -1.181
  418   2HD1  ILE  55          3HD1      ILE  55   5.324   4.504  -1.977
  419   3HD1  ILE  55          2HD1      ILE  55   5.702   5.096  -0.359
  420    H    ALA  56           HN       ALA  56   4.941  10.716  -2.312
  421    HA   ALA  56           HA       ALA  56   4.857  12.127   0.275
  422   1HB   ALA  56          1HB       ALA  56   6.753  12.950  -1.518
  423   2HB   ALA  56          3HB       ALA  56   5.385  13.962  -1.984
  424   3HB   ALA  56          2HB       ALA  56   5.992  14.008  -0.329
  425    H    LYS  57           HN       LYS  57   3.592  14.456  -0.618
  426    HA   LYS  57           HA       LYS  57   0.916  13.517  -1.095
  427   1HB   LYS  57          2HB       LYS  57   2.265  16.154  -0.832
  428   2HB   LYS  57          1HB       LYS  57   0.730  16.145  -1.698
  429   1HG   LYS  57          2HG       LYS  57   0.009  14.615   0.371
  430   2HG   LYS  57          1HG       LYS  57   1.290  15.532   1.164
  431   1HD   LYS  57          2HD       LYS  57  -1.014  16.770  -0.372
  432   2HD   LYS  57          1HD       LYS  57  -0.947  16.622   1.383
  433   1HE   LYS  57          2HE       LYS  57   0.596  18.298   1.599
  434   2HE   LYS  57          1HE       LYS  57   1.422  17.868   0.102
  435   1HZ   LYS  57          3HZ       LYS  57  -1.223  19.211   0.250
  436   2HZ   LYS  57          2HZ       LYS  57   0.252  20.005  -0.034
  437   3HZ   LYS  57          1HZ       LYS  57  -0.339  18.877  -1.159
  438    H    GLY  58           HN       GLY  58  -0.101  13.119  -3.006
  439   1HA   GLY  58          2HA       GLY  58  -0.609  13.308  -5.314
  440   2HA   GLY  58          1HA       GLY  58   0.707  14.472  -5.477
  441    H    ALA  59           HN       ALA  59   0.022  11.003  -5.144
  442    HA   ALA  59           HA       ALA  59   2.346  10.436  -6.886
  443   1HB   ALA  59          1HB       ALA  59   2.756  10.274  -4.214
  444   2HB   ALA  59          3HB       ALA  59   2.120   8.657  -4.516
  445   3HB   ALA  59          2HB       ALA  59   3.557   9.213  -5.373
  446    H    GLU  60           HN       GLU  60   2.316   8.056  -7.527
  447    HA   GLU  60           HA       GLU  60  -0.457   6.941  -7.441
  448   1HB   GLU  60          2HB       GLU  60   1.378   7.176  -9.846
  449   2HB   GLU  60          1HB       GLU  60  -0.098   6.210  -9.822
  450   1HG   GLU  60          2HG       GLU  60  -1.482   8.084  -9.664
  451   2HG   GLU  60          1HG       GLU  60  -0.199   9.099  -9.004
  452    H    ILE  61           HN       ILE  61  -0.372   4.954  -6.536
  453    HA   ILE  61           HA       ILE  61   2.108   3.324  -6.933
  454    HB   ILE  61           HB       ILE  61   1.572   2.296  -4.714
  455   1HG1  ILE  61          2HG1      ILE  61  -0.488   4.529  -4.593
  456   2HG1  ILE  61          1HG1      ILE  61  -0.860   2.814  -4.750
  457   1HG2  ILE  61          3HG2      ILE  61   3.143   4.253  -5.009
  458   2HG2  ILE  61          2HG2      ILE  61   1.802   5.318  -4.588
  459   3HG2  ILE  61          1HG2      ILE  61   2.407   4.154  -3.408
  460   1HD1  ILE  61          1HD1      ILE  61   0.944   3.236  -2.524
  461   2HD1  ILE  61          3HD1      ILE  61  -0.484   4.257  -2.355
  462   3HD1  ILE  61          2HD1      ILE  61  -0.663   2.511  -2.528
  463    H    THR  62           HN       THR  62   1.809   1.265  -7.714
  464    HA   THR  62           HA       THR  62  -1.017   0.392  -8.147
  465    HB   THR  62           HB       THR  62   1.427  -0.498  -9.697
  466    HG1  THR  62           HG1      THR  62  -0.505   1.458 -10.385
  467   1HG2  THR  62          2HG2      THR  62  -1.556  -0.685 -10.194
  468   2HG2  THR  62          1HG2      THR  62  -0.316  -1.158 -11.357
  469   3HG2  THR  62          3HG2      THR  62  -0.467  -2.024  -9.828
  470    H    ILE  63           HN       ILE  63  -1.550  -1.122  -6.663
  471    HA   ILE  63           HA       ILE  63   0.523  -2.941  -5.584
  472    HB   ILE  63           HB       ILE  63  -2.403  -2.559  -4.856
  473   1HG1  ILE  63          2HG1      ILE  63   0.132  -1.739  -3.401
  474   2HG1  ILE  63          1HG1      ILE  63  -0.872  -0.644  -4.352
  475   1HG2  ILE  63          1HG2      ILE  63  -0.238  -4.362  -3.781
  476   2HG2  ILE  63          3HG2      ILE  63  -1.548  -3.810  -2.737
  477   3HG2  ILE  63          2HG2      ILE  63  -1.910  -4.760  -4.178
  478   1HD1  ILE  63          3HD1      ILE  63  -2.343  -2.239  -2.345
  479   2HD1  ILE  63          2HD1      ILE  63  -1.199  -1.077  -1.675
  480   3HD1  ILE  63          1HD1      ILE  63  -2.484  -0.528  -2.749
  481    H    SER  64           HN       SER  64   0.099  -5.296  -5.567
  482    HA   SER  64           HA       SER  64  -1.882  -6.296  -7.515
  483   1HB   SER  64          2HB       SER  64   0.011  -7.666  -8.607
  484   2HB   SER  64          1HB       SER  64  -0.111  -5.965  -9.044
  485    HG   SER  64           HG       SER  64   1.509  -5.528  -7.512
  486    H    ALA  65           HN       ALA  65  -2.878  -7.645  -6.057
  487    HA   ALA  65           HA       ALA  65  -1.239  -9.385  -4.297
  488   1HB   ALA  65          2HB       ALA  65  -3.440  -8.109  -3.642
  489   2HB   ALA  65          1HB       ALA  65  -4.246  -9.451  -4.455
  490   3HB   ALA  65          3HB       ALA  65  -3.201  -9.760  -3.068
  491    H    SER  66           HN       SER  66  -0.726 -11.427  -4.977
  492    HA   SER  66           HA       SER  66  -2.620 -12.866  -6.754
  493   1HB   SER  66          2HB       SER  66  -0.164 -11.699  -7.647
  494   2HB   SER  66          1HB       SER  66   0.015 -13.449  -7.693
  495    HG   SER  66           HG       SER  66  -1.775 -11.774  -9.049
  496    H    GLY  67           HN       GLY  67  -3.070 -14.557  -5.405
  497   1HA   GLY  67          2HA       GLY  67  -1.183 -16.637  -4.960
  498   2HA   GLY  67          1HA       GLY  67  -1.299 -15.684  -3.480
  499    H    ALA  68           HN       ALA  68  -2.672 -16.646  -2.072
  500    HA   ALA  68           HA       ALA  68  -4.901 -18.304  -3.089
  501   1HB   ALA  68          1HB       ALA  68  -3.570 -17.918  -0.426
  502   2HB   ALA  68          3HB       ALA  68  -5.201 -18.585  -0.484
  503   3HB   ALA  68          2HB       ALA  68  -3.880 -19.412  -1.310
  504    H    ASP  69           HN       ASP  69  -4.644 -15.853  -0.487
  505    HA   ASP  69           HA       ASP  69  -7.447 -15.057  -1.077
  506   1HB   ASP  69          2HB       ASP  69  -7.230 -13.777   1.090
  507   2HB   ASP  69          1HB       ASP  69  -7.035 -15.520   1.259
  508    H    GLU  70           HN       GLU  70  -5.919 -14.222  -3.098
  509    HA   GLU  70           HA       GLU  70  -4.603 -11.687  -2.725
  510   1HB   GLU  70          2HB       GLU  70  -4.864 -11.500  -5.234
  511   2HB   GLU  70          1HB       GLU  70  -4.082 -12.986  -4.693
  512   1HG   GLU  70          2HG       GLU  70  -6.018 -14.287  -5.082
  513   2HG   GLU  70          1HG       GLU  70  -7.064 -12.869  -5.145
  514    H    ASN  71           HN       ASN  71  -7.939 -12.619  -3.305
  515    HA   ASN  71           HA       ASN  71  -8.837  -9.940  -4.003
  516   1HB   ASN  71          2HB       ASN  71 -10.176 -12.548  -3.359
  517   2HB   ASN  71          1HB       ASN  71 -11.130 -11.063  -3.367
  518   1HD2  ASN  71          2HD2      ASN  71 -10.413 -10.481  -6.923
  519   2HD2  ASN  71          1HD2      ASN  71 -10.392  -9.608  -5.467
  520    H    ASP  72           HN       ASP  72  -8.674 -11.870  -1.044
  521    HA   ASP  72           HA       ASP  72 -10.159  -9.960   0.565
  522   1HB   ASP  72          2HB       ASP  72  -8.225 -12.095   1.505
  523   2HB   ASP  72          1HB       ASP  72  -9.497 -11.327   2.453
  524    H    ALA  73           HN       ALA  73  -6.824 -10.270  -0.427
  525    HA   ALA  73           HA       ALA  73  -5.790  -8.554   1.701
  526   1HB   ALA  73          3HB       ALA  73  -4.528  -9.483  -0.891
  527   2HB   ALA  73          2HB       ALA  73  -3.682  -8.634   0.402
  528   3HB   ALA  73          1HB       ALA  73  -4.340 -10.245   0.687
  529    H    LEU  74           HN       LEU  74  -6.518  -8.129  -1.783
  530    HA   LEU  74           HA       LEU  74  -5.586  -5.431  -1.915
  531   1HB   LEU  74          2HB       LEU  74  -6.857  -5.261  -4.000
  532   2HB   LEU  74          1HB       LEU  74  -6.013  -6.801  -3.920
  533    HG   LEU  74           HG       LEU  74  -8.301  -7.610  -2.839
  534   1HD1  LEU  74          2HD1      LEU  74  -8.952  -4.973  -3.454
  535   2HD1  LEU  74          1HD1      LEU  74  -9.620  -5.877  -4.811
  536   3HD1  LEU  74          3HD1      LEU  74 -10.107  -6.272  -3.164
  537   1HD2  LEU  74          3HD2      LEU  74  -7.584  -7.205  -5.741
  538   2HD2  LEU  74          2HD2      LEU  74  -7.492  -8.683  -4.782
  539   3HD2  LEU  74          1HD2      LEU  74  -9.062  -8.050  -5.279
  540    H    ASN  75           HN       ASN  75  -8.818  -6.738  -1.167
  541    HA   ASN  75           HA       ASN  75  -9.966  -4.070  -0.924
  542   1HB   ASN  75          2HB       ASN  75 -11.983  -5.186  -0.141
  543   2HB   ASN  75          1HB       ASN  75 -11.348  -6.053  -1.537
  544   1HD2  ASN  75          2HD2      ASN  75 -12.117  -8.300   1.523
  545   2HD2  ASN  75          1HD2      ASN  75 -12.979  -6.954   0.951
  546    H    ALA  76           HN       ALA  76  -8.231  -6.208   1.201
  547    HA   ALA  76           HA       ALA  76  -9.195  -5.129   3.698
  548   1HB   ALA  76          2HB       ALA  76  -7.974  -7.289   3.516
  549   2HB   ALA  76          1HB       ALA  76  -6.512  -6.404   3.081
  550   3HB   ALA  76          3HB       ALA  76  -7.223  -6.199   4.682
  551    H    LEU  77           HN       LEU  77  -6.181  -4.515   1.851
  552    HA   LEU  77           HA       LEU  77  -5.438  -2.259   3.509
  553   1HB   LEU  77          2HB       LEU  77  -4.463  -2.870   0.711
  554   2HB   LEU  77          1HB       LEU  77  -3.633  -1.936   1.955
  555    HG   LEU  77           HG       LEU  77  -4.297  -4.528   3.034
  556   1HD1  LEU  77          1HD1      LEU  77  -4.091  -4.822   0.360
  557   2HD1  LEU  77          3HD1      LEU  77  -2.385  -4.922   0.797
  558   3HD1  LEU  77          2HD1      LEU  77  -3.544  -6.047   1.505
  559   1HD2  LEU  77          2HD2      LEU  77  -1.726  -3.089   2.336
  560   2HD2  LEU  77          1HD2      LEU  77  -2.491  -3.221   3.919
  561   3HD2  LEU  77          3HD2      LEU  77  -1.759  -4.641   3.172
  562    H    GLU  78           HN       GLU  78  -7.386  -2.660   0.624
  563    HA   GLU  78           HA       GLU  78  -7.290   0.043  -0.324
  564   1HB   GLU  78          2HB       GLU  78  -8.182  -1.838  -1.663
  565   2HB   GLU  78          1HB       GLU  78  -9.534  -1.987  -0.545
  566   1HG   GLU  78          2HG       GLU  78  -9.426   0.746  -1.332
  567   2HG   GLU  78          1HG       GLU  78  -9.252  -0.213  -2.800
  568    H    GLU  79           HN       GLU  79  -9.862  -1.565   1.599
  569    HA   GLU  79           HA       GLU  79 -11.310   0.813   2.186
  570   1HB   GLU  79          2HB       GLU  79 -12.293  -0.517   4.060
  571   2HB   GLU  79          1HB       GLU  79 -12.292  -1.391   2.529
  572   1HG   GLU  79          2HG       GLU  79 -11.292  -3.063   3.691
  573   2HG   GLU  79          1HG       GLU  79  -9.837  -2.076   3.574
  574    H    THR  80           HN       THR  80  -8.452  -0.587   3.671
  575    HA   THR  80           HA       THR  80  -8.525   0.963   6.106
  576    HB   THR  80           HB       THR  80  -6.110  -0.171   4.656
  577    HG1  THR  80           HG1      THR  80  -7.748  -1.310   6.671
  578   1HG2  THR  80          3HG2      THR  80  -5.886   1.544   6.607
  579   2HG2  THR  80          2HG2      THR  80  -6.421   0.207   7.625
  580   3HG2  THR  80          1HG2      THR  80  -4.941   0.055   6.677
  581    H    MET  81           HN       MET  81  -7.271   1.520   2.864
  582    HA   MET  81           HA       MET  81  -5.817   3.939   3.498
  583   1HB   MET  81          2HB       MET  81  -6.762   2.585   0.991
  584   2HB   MET  81          1HB       MET  81  -6.208   4.255   0.900
  585   1HG   MET  81          2HG       MET  81  -4.447   2.473   2.468
  586   2HG   MET  81          1HG       MET  81  -4.560   2.060   0.758
  587   1HE   MET  81          1HE       MET  81  -3.848   2.906  -0.905
  588   2HE   MET  81          3HE       MET  81  -3.316   4.553  -1.279
  589   3HE   MET  81          2HE       MET  81  -2.165   3.369  -0.666
  590    H    LYS  82           HN       LYS  82  -9.130   3.197   2.567
  591    HA   LYS  82           HA       LYS  82  -9.871   5.970   2.071
  592   1HB   LYS  82          2HB       LYS  82 -11.391   3.382   2.352
  593   2HB   LYS  82          1HB       LYS  82 -12.242   4.925   2.274
  594   1HG   LYS  82          2HG       LYS  82 -11.467   5.386   0.100
  595   2HG   LYS  82          1HG       LYS  82 -10.144   4.225   0.228
  596   1HD   LYS  82          2HD       LYS  82 -11.485   2.432  -0.270
  597   2HD   LYS  82          1HD       LYS  82 -12.896   3.134   0.523
  598   1HE   LYS  82          2HE       LYS  82 -13.633   3.537  -1.586
  599   2HE   LYS  82          1HE       LYS  82 -12.493   4.882  -1.566
  600   1HZ   LYS  82          1HZ       LYS  82 -11.646   2.163  -2.346
  601   2HZ   LYS  82          3HZ       LYS  82 -12.342   3.222  -3.473
  602   3HZ   LYS  82          2HZ       LYS  82 -10.897   3.649  -2.690
  603    H    SER  83           HN       SER  83  -9.798   3.846   4.857
  604    HA   SER  83           HA       SER  83 -11.586   5.413   6.507
  605   1HB   SER  83          2HB       SER  83 -10.229   4.141   8.371
  606   2HB   SER  83          1HB       SER  83 -11.319   3.244   7.318
  607    HG   SER  83           HG       SER  83  -8.803   2.781   7.668
  608    H    GLU  84           HN       GLU  84  -8.076   4.926   7.006
  609    HA   GLU  84           HA       GLU  84  -7.774   7.318   8.553
  610   1HB   GLU  84          2HB       GLU  84  -5.874   5.441   7.170
  611   2HB   GLU  84          1HB       GLU  84  -5.270   6.946   7.863
  612   1HG   GLU  84          2HG       GLU  84  -5.917   6.340  10.051
  613   2HG   GLU  84          1HG       GLU  84  -7.017   5.088   9.472
  614    H    GLY  85           HN       GLY  85  -7.657   6.688   5.105
  615   1HA   GLY  85          2HA       GLY  85  -7.831   8.307   3.371
  616   2HA   GLY  85          1HA       GLY  85  -7.622   9.580   4.576
  617    H    LEU  86           HN       LEU  86  -5.573   6.761   3.846
  618    HA   LEU  86           HA       LEU  86  -3.193   8.473   3.860
  619   1HB   LEU  86          2HB       LEU  86  -3.578   5.502   3.425
  620   2HB   LEU  86          1HB       LEU  86  -2.003   6.297   3.452
  621    HG   LEU  86           HG       LEU  86  -4.019   6.419   5.713
  622   1HD1  LEU  86          2HD1      LEU  86  -1.489   4.776   5.411
  623   2HD1  LEU  86          1HD1      LEU  86  -2.464   4.885   6.876
  624   3HD1  LEU  86          3HD1      LEU  86  -3.134   4.143   5.424
  625   1HD2  LEU  86          3HD2      LEU  86  -1.173   7.390   5.355
  626   2HD2  LEU  86          2HD2      LEU  86  -2.595   8.343   5.778
  627   3HD2  LEU  86          1HD2      LEU  86  -1.917   7.206   6.943
  628    H    GLY  87           HN       GLY  87  -5.072   6.623   1.486
  629   1HA   GLY  87          2HA       GLY  87  -4.278   8.318  -0.691
  630   2HA   GLY  87          1HA       GLY  87  -3.350   6.819  -0.740
  631    H    GLU  88           HN       GLU  88  -6.182   8.259  -1.776
  632    HA   GLU  88           HA       GLU  88  -7.286   5.617  -2.561
  633   1HB   GLU  88          2HB       GLU  88  -9.608   6.494  -2.007
  634   2HB   GLU  88          1HB       GLU  88  -8.605   6.091  -0.617
  635   1HG   GLU  88          2HG       GLU  88  -8.229   8.863  -1.497
  636   2HG   GLU  88          1HG       GLU  88  -9.899   8.521  -1.046
   
  No H/Q in entry =         636
  Start of MODEL   25
    1   1H    ALA   2          1HT       ALA   2  -6.646  -8.138 -10.876
    2   2H    ALA   2          3HT       ALA   2  -5.848  -9.563 -10.421
    3   3H    ALA   2          2HT       ALA   2  -7.514  -9.593 -10.751
    4    HA   ALA   2           HA       ALA   2  -8.088  -8.582  -8.788
    5   1HB   ALA   2          3HB       ALA   2  -6.845 -10.839  -8.530
    6   2HB   ALA   2          2HB       ALA   2  -5.500  -9.874  -7.925
    7   3HB   ALA   2          1HB       ALA   2  -7.049  -9.853  -7.082
    8    H    GLN   3           HN       GLN   3  -4.803  -7.821  -9.780
    9    HA   GLN   3           HA       GLN   3  -3.941  -6.115  -7.730
   10   1HB   GLN   3          2HB       GLN   3  -2.673  -4.895  -9.517
   11   2HB   GLN   3          1HB       GLN   3  -2.487  -6.645  -9.590
   12   1HG   GLN   3          2HG       GLN   3  -3.038  -6.381 -11.786
   13   2HG   GLN   3          1HG       GLN   3  -4.690  -6.290 -11.177
   14   1HE2  GLN   3          2HE2      GLN   3  -3.027  -3.030 -12.865
   15   2HE2  GLN   3          1HE2      GLN   3  -2.255  -4.542 -12.862
   16    H    LYS   4           HN       LYS   4  -4.055  -3.800  -7.458
   17    HA   LYS   4           HA       LYS   4  -6.290  -2.439  -8.887
   18   1HB   LYS   4          2HB       LYS   4  -6.885  -3.474  -6.535
   19   2HB   LYS   4          1HB       LYS   4  -6.006  -2.074  -5.918
   20   1HG   LYS   4          2HG       LYS   4  -7.491  -0.544  -6.988
   21   2HG   LYS   4          1HG       LYS   4  -8.208  -1.818  -7.974
   22   1HD   LYS   4          2HD       LYS   4  -8.336  -2.015  -4.979
   23   2HD   LYS   4          1HD       LYS   4  -9.481  -0.981  -5.835
   24   1HE   LYS   4          2HE       LYS   4  -9.082  -3.720  -6.928
   25   2HE   LYS   4          1HE       LYS   4  -9.952  -3.596  -5.399
   26   1HZ   LYS   4          2HZ       LYS   4 -10.639  -1.882  -7.705
   27   2HZ   LYS   4          1HZ       LYS   4 -11.295  -3.441  -7.539
   28   3HZ   LYS   4          3HZ       LYS   4 -11.588  -2.268  -6.349
   29    H    THR   5           HN       THR   5  -6.220  -0.029  -8.451
   30    HA   THR   5           HA       THR   5  -3.394   0.858  -8.019
   31    HB   THR   5           HB       THR   5  -5.447   2.287  -9.721
   32    HG1  THR   5           HG1      THR   5  -4.900   1.059 -11.352
   33   1HG2  THR   5          2HG2      THR   5  -2.488   2.489  -9.227
   34   2HG2  THR   5          1HG2      THR   5  -3.166   3.040 -10.760
   35   3HG2  THR   5          3HG2      THR   5  -3.702   3.770  -9.246
   36    H    PHE   6           HN       PHE   6  -3.127   2.235  -6.336
   37    HA   PHE   6           HA       PHE   6  -5.560   3.540  -5.194
   38   1HB   PHE   6          2HB       PHE   6  -2.939   2.691  -3.938
   39   2HB   PHE   6          1HB       PHE   6  -4.104   3.728  -3.112
   40    HD1  PHE   6          1HD       PHE   6  -3.608   0.377  -4.640
   41    HD2  PHE   6          2HD       PHE   6  -6.129   2.846  -2.192
   42    HE1  PHE   6          1HE       PHE   6  -4.924  -1.619  -3.985
   43    HE2  PHE   6          2HE       PHE   6  -7.445   0.849  -1.535
   44    HZ   PHE   6           HZ       PHE   6  -6.845  -1.383  -2.430
   45    H    LYS   7           HN       LYS   7  -5.420   5.763  -4.592
   46    HA   LYS   7           HA       LYS   7  -3.280   7.255  -6.041
   47   1HB   LYS   7          2HB       LYS   7  -6.100   7.921  -5.221
   48   2HB   LYS   7          1HB       LYS   7  -4.947   9.211  -5.561
   49   1HG   LYS   7          2HG       LYS   7  -5.213   6.958  -7.521
   50   2HG   LYS   7          1HG       LYS   7  -6.446   8.219  -7.502
   51   1HD   LYS   7          2HD       LYS   7  -3.583   9.073  -7.469
   52   2HD   LYS   7          1HD       LYS   7  -4.242   8.461  -8.987
   53   1HE   LYS   7          2HE       LYS   7  -6.010  10.113  -8.958
   54   2HE   LYS   7          1HE       LYS   7  -5.552  10.642  -7.340
   55   1HZ   LYS   7          3HZ       LYS   7  -3.806  10.815  -9.735
   56   2HZ   LYS   7          2HZ       LYS   7  -4.704  12.108  -9.095
   57   3HZ   LYS   7          1HZ       LYS   7  -3.452  11.407  -8.185
   58    H    VAL   8           HN       VAL   8  -1.655   7.965  -4.765
   59    HA   VAL   8           HA       VAL   8  -1.909   8.089  -1.867
   60    HB   VAL   8           HB       VAL   8   0.326   9.153  -3.619
   61   1HG1  VAL   8          2HG1      VAL   8   0.152   9.812  -1.139
   62   2HG1  VAL   8          1HG1      VAL   8   0.470   8.114  -0.784
   63   3HG1  VAL   8          3HG1      VAL   8   1.666   9.072  -1.657
   64   1HG2  VAL   8          2HG2      VAL   8  -0.178   6.397  -2.458
   65   2HG2  VAL   8          1HG2      VAL   8   0.000   6.821  -4.160
   66   3HG2  VAL   8          3HG2      VAL   8   1.388   6.920  -3.078
   67    H    THR   9           HN       THR   9  -2.661   9.802  -0.738
   68    HA   THR   9           HA       THR   9  -2.277  12.540  -1.826
   69    HB   THR   9           HB       THR   9  -4.950  11.638  -0.733
   70    HG1  THR   9           HG1      THR   9  -5.280  10.765  -2.594
   71   1HG2  THR   9          1HG2      THR   9  -3.852  14.099  -2.065
   72   2HG2  THR   9          3HG2      THR   9  -5.571  13.724  -2.175
   73   3HG2  THR   9          2HG2      THR   9  -4.821  13.972  -0.598
   74    H    ALA  10           HN       ALA  10  -1.309  10.785   0.526
   75    HA   ALA  10           HA       ALA  10  -2.393  12.082   2.893
   76   1HB   ALA  10          3HB       ALA  10  -1.366   9.736   2.776
   77   2HB   ALA  10          2HB       ALA  10   0.201  10.540   2.721
   78   3HB   ALA  10          1HB       ALA  10  -0.846  10.748   4.124
   79    H    ASP  11           HN       ASP  11  -1.424  13.746   4.093
   80    HA   ASP  11           HA       ASP  11   0.266  15.588   2.641
   81   1HB   ASP  11          2HB       ASP  11   0.330  16.825   4.831
   82   2HB   ASP  11          1HB       ASP  11  -1.303  16.455   4.277
   83    H    SER  12           HN       SER  12   0.833  13.348   5.355
   84    HA   SER  12           HA       SER  12   3.616  14.042   5.686
   85   1HB   SER  12          2HB       SER  12   3.599  11.611   6.734
   86   2HB   SER  12          1HB       SER  12   2.783  12.937   7.556
   87    HG   SER  12           HG       SER  12   1.457  11.073   7.342
   88    H    GLY  13           HN       GLY  13   1.887  11.658   3.734
   89   1HA   GLY  13          2HA       GLY  13   2.852  10.983   1.568
   90   2HA   GLY  13          1HA       GLY  13   4.451  11.094   2.308
   91    H    ILE  14           HN       ILE  14   4.633   8.820   1.455
   92    HA   ILE  14           HA       ILE  14   3.215   6.848   3.195
   93    HB   ILE  14           HB       ILE  14   4.795   6.249   0.683
   94   1HG1  ILE  14          2HG1      ILE  14   2.973   7.799   0.099
   95   2HG1  ILE  14          1HG1      ILE  14   2.612   6.181  -0.496
   96   1HG2  ILE  14          1HG2      ILE  14   3.057   4.731   2.566
   97   2HG2  ILE  14          3HG2      ILE  14   2.934   4.326   0.854
   98   3HG2  ILE  14          2HG2      ILE  14   4.487   4.204   1.679
   99   1HD1  ILE  14          1HD1      ILE  14   1.461   6.043   1.959
  100   2HD1  ILE  14          3HD1      ILE  14   1.262   7.761   1.620
  101   3HD1  ILE  14          2HD1      ILE  14   0.597   6.561   0.513
  102   1HN   HIP  15           HN       HIP  15   4.763   7.434   4.945
  103    HA   HIP  15           HA       HIP  15   7.480   6.329   4.484
  104   1HB   HIP  15          1HB       HIP  15   7.426   8.656   5.263
  105   2HB   HIP  15          2HB       HIP  15   8.198   7.616   6.438
  106    HD2  HIP  15          2HD       HIP  15   4.513   9.043   6.008
  107    HE2  HIP  15          2HE       HIP  15   3.707   9.615   8.410
  108    HE1  HIP  15          1HE       HIP  15   5.484   9.008  10.105
  109    H    ALA  16           HN       ALA  16   8.020   5.888   7.305
  110    HA   ALA  16           HA       ALA  16   7.240   3.188   7.515
  111   1HB   ALA  16          1HB       ALA  16   9.015   4.747   8.828
  112   2HB   ALA  16          3HB       ALA  16   7.768   4.593  10.066
  113   3HB   ALA  16          2HB       ALA  16   8.523   3.150   9.390
  114    H    ARG  17           HN       ARG  17   5.549   6.064   8.732
  115    HA   ARG  17           HA       ARG  17   3.854   4.749  10.598
  116   1HB   ARG  17          2HB       ARG  17   3.656   7.277   9.030
  117   2HB   ARG  17          1HB       ARG  17   2.210   6.692   9.845
  118   1HG   ARG  17          2HG       ARG  17   4.810   6.796  11.341
  119   2HG   ARG  17          1HG       ARG  17   3.885   8.280  11.115
  120   1HD   ARG  17          2HD       ARG  17   2.549   5.784  12.138
  121   2HD   ARG  17          1HD       ARG  17   3.416   6.856  13.236
  122    HE   ARG  17           HE       ARG  17   1.502   8.263  11.544
  123   1HH1  ARG  17          HH11      ARG  17   2.513   8.119  14.631
  124   2HH1  ARG  17          HH12      ARG  17   0.952   8.062  15.380
  125   1HH2  ARG  17          HH21      ARG  17  -0.745   7.475  12.413
  126   2HH2  ARG  17          HH22      ARG  17  -0.892   7.698  14.124
  127    HA   PRO  18           HA       PRO  18   0.603   4.017   7.168
  128   1HB   PRO  18          2HB       PRO  18   1.329   4.523   4.558
  129   2HB   PRO  18          1HB       PRO  18   0.490   5.693   5.594
  130   1HG   PRO  18          2HG       PRO  18   3.388   5.588   4.827
  131   2HG   PRO  18          1HG       PRO  18   2.358   6.998   5.136
  132   1HD   PRO  18          2HD       PRO  18   4.192   6.007   6.967
  133   2HD   PRO  18          1HD       PRO  18   2.756   6.955   7.400
  134    H    ALA  19           HN       ALA  19   3.978   3.322   6.744
  135    HA   ALA  19           HA       ALA  19   3.620   0.988   5.041
  136   1HB   ALA  19          3HB       ALA  19   5.747   2.258   5.099
  137   2HB   ALA  19          2HB       ALA  19   5.966   1.796   6.786
  138   3HB   ALA  19          1HB       ALA  19   5.991   0.565   5.523
  139    H    THR  20           HN       THR  20   3.557   1.641   8.481
  140    HA   THR  20           HA       THR  20   3.830  -1.179   9.233
  141    HB   THR  20           HB       THR  20   2.745   0.937  11.068
  142    HG1  THR  20           HG1      THR  20   5.454   0.602  10.298
  143   1HG2  THR  20          1HG2      THR  20   4.564  -1.464  11.342
  144   2HG2  THR  20          3HG2      THR  20   4.241  -0.334  12.656
  145   3HG2  THR  20          2HG2      THR  20   2.925  -1.287  11.969
  146    H    VAL  21           HN       VAL  21   1.267   1.135   8.610
  147    HA   VAL  21           HA       VAL  21  -0.871  -0.450   9.769
  148    HB   VAL  21           HB       VAL  21  -1.066   1.637   7.603
  149   1HG1  VAL  21          3HG1      VAL  21  -3.022   0.542   9.638
  150   2HG1  VAL  21          2HG1      VAL  21  -3.335   1.966   8.647
  151   3HG1  VAL  21          1HG1      VAL  21  -3.120   0.391   7.884
  152   1HG2  VAL  21          1HG2      VAL  21   0.184   2.427   9.644
  153   2HG2  VAL  21          3HG2      VAL  21  -1.332   3.285   9.368
  154   3HG2  VAL  21          2HG2      VAL  21  -1.241   2.032  10.605
  155    H    LEU  22           HN       LEU  22   0.451   0.002   6.534
  156    HA   LEU  22           HA       LEU  22  -1.438  -1.728   5.212
  157   1HB   LEU  22          2HB       LEU  22   1.299  -0.706   4.428
  158   2HB   LEU  22          1HB       LEU  22   0.224  -1.587   3.337
  159    HG   LEU  22           HG       LEU  22  -0.535   0.972   4.782
  160   1HD1  LEU  22          3HD1      LEU  22   0.791   0.423   2.157
  161   2HD1  LEU  22          2HD1      LEU  22  -0.439   1.689   2.197
  162   3HD1  LEU  22          1HD1      LEU  22   0.977   1.802   3.242
  163   1HD2  LEU  22          3HD2      LEU  22  -1.847  -0.761   2.669
  164   2HD2  LEU  22          2HD2      LEU  22  -2.497  -0.283   4.237
  165   3HD2  LEU  22          1HD2      LEU  22  -2.333   0.911   2.948
  166    H    VAL  23           HN       VAL  23   1.950  -2.204   6.283
  167    HA   VAL  23           HA       VAL  23   2.222  -4.877   5.359
  168    HB   VAL  23           HB       VAL  23   4.120  -3.495   6.163
  169   1HG1  VAL  23          1HG1      VAL  23   2.781  -2.590   8.149
  170   2HG1  VAL  23          3HG1      VAL  23   3.164  -4.106   8.964
  171   3HG1  VAL  23          2HG1      VAL  23   4.462  -3.020   8.471
  172   1HG2  VAL  23          1HG2      VAL  23   3.911  -6.159   6.298
  173   2HG2  VAL  23          3HG2      VAL  23   5.346  -5.316   6.881
  174   3HG2  VAL  23          2HG2      VAL  23   4.104  -5.835   8.021
  175    H    GLN  24           HN       GLN  24   0.619  -3.585   8.194
  176    HA   GLN  24           HA       GLN  24   0.414  -6.067   9.649
  177   1HB   GLN  24          2HB       GLN  24  -1.066  -3.441   9.753
  178   2HB   GLN  24          1HB       GLN  24  -1.559  -4.804  10.752
  179   1HG   GLN  24          2HG       GLN  24   1.321  -4.388  10.872
  180   2HG   GLN  24          1HG       GLN  24   0.442  -2.943  11.361
  181   1HE2  GLN  24          2HE2      GLN  24  -1.299  -4.855  14.019
  182   2HE2  GLN  24          1HE2      GLN  24  -1.752  -3.878  12.709
  183    H    THR  25           HN       THR  25  -1.791  -4.373   7.406
  184    HA   THR  25           HA       THR  25  -3.916  -6.299   7.607
  185    HB   THR  25           HB       THR  25  -3.416  -4.722   5.100
  186    HG1  THR  25           HG1      THR  25  -4.100  -2.889   6.126
  187   1HG2  THR  25          1HG2      THR  25  -5.465  -6.298   5.856
  188   2HG2  THR  25          3HG2      THR  25  -6.001  -4.775   6.567
  189   3HG2  THR  25          2HG2      THR  25  -5.687  -4.878   4.834
  190    H    ALA  26           HN       ALA  26  -1.583  -5.801   4.929
  191    HA   ALA  26           HA       ALA  26  -2.219  -8.157   3.499
  192   1HB   ALA  26          2HB       ALA  26   0.436  -6.707   3.692
  193   2HB   ALA  26          1HB       ALA  26   0.020  -7.899   2.459
  194   3HB   ALA  26          3HB       ALA  26  -0.851  -6.368   2.536
  195    H    SER  27           HN       SER  27  -0.387  -7.774   6.439
  196    HA   SER  27           HA       SER  27   1.259 -10.087   6.333
  197   1HB   SER  27          2HB       SER  27   1.566  -8.480   8.110
  198   2HB   SER  27          1HB       SER  27  -0.084  -8.715   8.676
  199    HG   SER  27           HG       SER  27   0.480 -10.554   9.587
  200    H    LYS  28           HN       LYS  28  -2.124  -9.697   7.350
  201    HA   LYS  28           HA       LYS  28  -2.473 -12.430   8.201
  202   1HB   LYS  28          2HB       LYS  28  -4.270 -10.121   7.587
  203   2HB   LYS  28          1HB       LYS  28  -4.985 -11.733   7.639
  204   1HG   LYS  28          2HG       LYS  28  -5.164 -10.970   9.867
  205   2HG   LYS  28          1HG       LYS  28  -3.731 -11.998   9.888
  206   1HD   LYS  28          2HD       LYS  28  -2.338  -9.934   9.501
  207   2HD   LYS  28          1HD       LYS  28  -3.803  -8.974   9.718
  208   1HE   LYS  28          2HE       LYS  28  -4.066  -9.722  11.978
  209   2HE   LYS  28          1HE       LYS  28  -2.833 -10.967  11.778
  210   1HZ   LYS  28          2HZ       LYS  28  -2.174  -8.125  11.361
  211   2HZ   LYS  28          1HZ       LYS  28  -2.203  -8.778  12.930
  212   3HZ   LYS  28          3HZ       LYS  28  -1.143  -9.413  11.767
  213    H    TYR  29           HN       TYR  29  -2.591 -10.827   5.086
  214    HA   TYR  29           HA       TYR  29  -3.879 -13.154   3.802
  215   1HB   TYR  29          2HB       TYR  29  -2.780 -10.587   2.605
  216   2HB   TYR  29          1HB       TYR  29  -3.697 -11.817   1.733
  217    HD1  TYR  29          2HD       TYR  29  -6.078 -12.231   2.254
  218    HD2  TYR  29          1HD       TYR  29  -3.872  -9.073   4.155
  219    HE1  TYR  29          2HE       TYR  29  -8.202 -11.208   3.020
  220    HE2  TYR  29          1HE       TYR  29  -5.997  -8.051   4.922
  221    HH   TYR  29           HH       TYR  29  -8.962  -9.691   4.826
  222    H    ASP  30           HN       ASP  30  -2.693 -14.840   3.122
  223    HA   ASP  30           HA       ASP  30   0.194 -14.829   3.173
  224   1HB   ASP  30          2HB       ASP  30  -1.758 -16.819   1.978
  225   2HB   ASP  30          1HB       ASP  30  -0.031 -17.105   2.193
  226    H    ALA  31           HN       ALA  31  -2.137 -13.954   0.757
  227    HA   ALA  31           HA       ALA  31  -0.730 -14.545  -1.630
  228   1HB   ALA  31          1HB       ALA  31  -3.107 -13.552  -1.294
  229   2HB   ALA  31          3HB       ALA  31  -2.288 -11.990  -1.271
  230   3HB   ALA  31          2HB       ALA  31  -2.177 -13.023  -2.696
  231    H    ASP  32           HN       ASP  32   0.760 -13.319  -2.864
  232    HA   ASP  32           HA       ASP  32   2.502 -11.568  -1.250
  233   1HB   ASP  32          2HB       ASP  32   2.810 -12.637  -4.071
  234   2HB   ASP  32          1HB       ASP  32   4.040 -11.736  -3.185
  235    H    VAL  33           HN       VAL  33   1.294  -9.631  -1.117
  236    HA   VAL  33           HA       VAL  33   0.478  -8.311  -3.639
  237    HB   VAL  33           HB       VAL  33  -0.611  -6.660  -2.209
  238   1HG1  VAL  33          2HG1      VAL  33  -1.290  -9.352  -2.330
  239   2HG1  VAL  33          1HG1      VAL  33  -1.379  -8.996  -0.605
  240   3HG1  VAL  33          3HG1      VAL  33  -2.332  -8.054  -1.752
  241   1HG2  VAL  33          2HG2      VAL  33   0.886  -8.072   0.015
  242   2HG2  VAL  33          1HG2      VAL  33   0.965  -6.368  -0.425
  243   3HG2  VAL  33          3HG2      VAL  33  -0.494  -7.020   0.317
  244    H    ASN  34           HN       ASN  34   1.914  -7.016  -4.672
  245    HA   ASN  34           HA       ASN  34   4.095  -5.775  -3.039
  246   1HB   ASN  34          2HB       ASN  34   4.143  -6.602  -5.956
  247   2HB   ASN  34          1HB       ASN  34   5.481  -5.864  -5.075
  248   1HD2  ASN  34          2HD2      ASN  34   6.495  -9.237  -4.524
  249   2HD2  ASN  34          1HD2      ASN  34   6.797  -7.826  -5.420
  250    H    LEU  35           HN       LEU  35   4.319  -3.590  -3.147
  251    HA   LEU  35           HA       LEU  35   2.372  -2.067  -4.774
  252   1HB   LEU  35          2HB       LEU  35   3.043  -1.620  -2.279
  253   2HB   LEU  35          1HB       LEU  35   4.459  -0.841  -2.980
  254    HG   LEU  35           HG       LEU  35   2.151   0.061  -4.431
  255   1HD1  LEU  35          2HD1      LEU  35   1.248  -0.688  -1.996
  256   2HD1  LEU  35          1HD1      LEU  35   1.819   0.934  -1.609
  257   3HD1  LEU  35          3HD1      LEU  35   0.606   0.703  -2.868
  258   1HD2  LEU  35          2HD2      LEU  35   4.285   1.224  -2.678
  259   2HD2  LEU  35          1HD2      LEU  35   3.929   1.551  -4.373
  260   3HD2  LEU  35          3HD2      LEU  35   2.910   2.241  -3.109
  261    H    GLU  36           HN       GLU  36   3.019  -0.598  -6.411
  262    HA   GLU  36           HA       GLU  36   5.874  -0.858  -7.276
  263   1HB   GLU  36          2HB       GLU  36   4.091  -1.933  -8.751
  264   2HB   GLU  36          1HB       GLU  36   3.520  -0.298  -9.092
  265   1HG   GLU  36          2HG       GLU  36   5.834   0.292  -9.853
  266   2HG   GLU  36          1HG       GLU  36   6.289  -1.399  -9.647
  267    H    TYR  37           HN       TYR  37   6.998   1.023  -7.409
  268    HA   TYR  37           HA       TYR  37   5.698   3.549  -8.099
  269   1HB   TYR  37          2HB       TYR  37   5.231   3.300  -5.638
  270   2HB   TYR  37          1HB       TYR  37   6.973   3.295  -5.360
  271    HD1  TYR  37          1HD       TYR  37   4.403   5.299  -7.230
  272    HD2  TYR  37          2HD       TYR  37   7.996   5.330  -4.877
  273    HE1  TYR  37          1HE       TYR  37   4.425   7.778  -7.297
  274    HE2  TYR  37          2HE       TYR  37   8.018   7.810  -4.944
  275    HH   TYR  37           HH       TYR  37   7.125   9.616  -6.383
  276    H    ASN  38           HN       ASN  38   7.204   5.008  -8.910
  277    HA   ASN  38           HA       ASN  38   9.259   5.770  -9.735
  278   1HB   ASN  38          2HB       ASN  38   9.862   4.665  -7.061
  279   2HB   ASN  38          1HB       ASN  38  11.251   4.755  -8.143
  280   1HD2  ASN  38          2HD2      ASN  38  11.299   8.324  -8.221
  281   2HD2  ASN  38          1HD2      ASN  38  11.812   6.920  -9.025
  282    H    GLY  39           HN       GLY  39   8.144   3.249 -10.700
  283   1HA   GLY  39          2HA       GLY  39   8.780   1.501 -12.129
  284   2HA   GLY  39          1HA       GLY  39  10.330   2.327 -12.286
  285    H    LYS  40           HN       LYS  40   9.072   1.276  -9.187
  286    HA   LYS  40           HA       LYS  40  11.128  -0.898  -9.134
  287   1HB   LYS  40          2HB       LYS  40  10.370   1.037  -6.920
  288   2HB   LYS  40          1HB       LYS  40  11.435  -0.354  -6.711
  289   1HG   LYS  40          2HG       LYS  40  12.920   0.579  -8.499
  290   2HG   LYS  40          1HG       LYS  40  11.900   2.017  -8.541
  291   1HD   LYS  40          2HD       LYS  40  12.334   2.148  -5.989
  292   2HD   LYS  40          1HD       LYS  40  13.665   1.033  -6.303
  293   1HE   LYS  40          2HE       LYS  40  14.168   2.808  -8.249
  294   2HE   LYS  40          1HE       LYS  40  13.347   3.885  -7.118
  295   1HZ   LYS  40          1HZ       LYS  40  14.885   2.982  -5.378
  296   2HZ   LYS  40          3HZ       LYS  40  15.764   2.243  -6.627
  297   3HZ   LYS  40          2HZ       LYS  40  15.626   3.935  -6.575
  298    H    THR  41           HN       THR  41  10.570  -2.403  -7.131
  299    HA   THR  41           HA       THR  41   7.654  -2.626  -6.690
  300    HB   THR  41           HB       THR  41   9.240  -4.946  -7.822
  301    HG1  THR  41           HG1      THR  41   7.334  -3.254  -9.065
  302   1HG2  THR  41          1HG2      THR  41   6.466  -4.520  -6.820
  303   2HG2  THR  41          3HG2      THR  41   6.663  -5.552  -8.237
  304   3HG2  THR  41          2HG2      THR  41   7.486  -5.957  -6.732
  305    H    VAL  42           HN       VAL  42   7.846  -2.476  -4.480
  306    HA   VAL  42           HA       VAL  42   9.715  -4.374  -3.125
  307    HB   VAL  42           HB       VAL  42   9.009  -2.922  -1.052
  308   1HG1  VAL  42          3HG1      VAL  42  11.200  -2.972  -2.702
  309   2HG1  VAL  42          2HG1      VAL  42  10.748  -1.268  -2.748
  310   3HG1  VAL  42          1HG1      VAL  42  11.080  -2.053  -1.201
  311   1HG2  VAL  42          1HG2      VAL  42   7.266  -1.645  -2.324
  312   2HG2  VAL  42          3HG2      VAL  42   8.476  -0.606  -1.570
  313   3HG2  VAL  42          2HG2      VAL  42   8.551  -0.936  -3.300
  314    H    ASN  43           HN       ASN  43   8.909  -5.758  -1.527
  315    HA   ASN  43           HA       ASN  43   6.158  -6.607  -1.843
  316   1HB   ASN  43          2HB       ASN  43   8.138  -8.074  -1.159
  317   2HB   ASN  43          1HB       ASN  43   8.032  -7.316   0.431
  318   1HD2  ASN  43          2HD2      ASN  43   4.717  -9.478  -0.716
  319   2HD2  ASN  43          1HD2      ASN  43   5.487  -8.485  -1.856
  320    H    LEU  44           HN       LEU  44   4.393  -6.129  -0.470
  321    HA   LEU  44           HA       LEU  44   4.511  -3.681   0.997
  322   1HB   LEU  44          2HB       LEU  44   2.418  -4.725   0.042
  323   2HB   LEU  44          1HB       LEU  44   2.437  -5.830   1.424
  324    HG   LEU  44           HG       LEU  44   2.754  -3.573   2.784
  325   1HD1  LEU  44          1HD1      LEU  44   1.522  -2.724   0.178
  326   2HD1  LEU  44          3HD1      LEU  44   1.289  -1.814   1.673
  327   3HD1  LEU  44          2HD1      LEU  44   2.914  -2.032   1.016
  328   1HD2  LEU  44          2HD2      LEU  44   0.342  -4.965   1.767
  329   2HD2  LEU  44          1HD2      LEU  44   0.918  -4.752   3.420
  330   3HD2  LEU  44          3HD2      LEU  44   0.100  -3.425   2.593
  331    H    LYS  45           HN       LYS  45   5.498  -6.851   1.902
  332    HA   LYS  45           HA       LYS  45   5.215  -6.297   4.788
  333   1HB   LYS  45          2HB       LYS  45   6.428  -8.620   3.251
  334   2HB   LYS  45          1HB       LYS  45   6.391  -8.519   5.011
  335   1HG   LYS  45          2HG       LYS  45   4.404  -9.617   4.778
  336   2HG   LYS  45          1HG       LYS  45   3.780  -8.003   4.437
  337   1HD   LYS  45          2HD       LYS  45   4.129  -8.372   2.023
  338   2HD   LYS  45          1HD       LYS  45   4.759  -9.985   2.360
  339   1HE   LYS  45          2HE       LYS  45   2.106  -9.362   3.537
  340   2HE   LYS  45          1HE       LYS  45   2.156  -9.509   1.780
  341   1HZ   LYS  45          2HZ       LYS  45   3.253 -11.517   3.672
  342   2HZ   LYS  45          1HZ       LYS  45   1.737 -11.634   2.915
  343   3HZ   LYS  45          3HZ       LYS  45   3.153 -11.665   1.982
  344    H    SER  46           HN       SER  46   6.667  -4.297   3.620
  345    HA   SER  46           HA       SER  46   9.350  -4.732   4.784
  346   1HB   SER  46          2HB       SER  46   9.382  -5.332   2.272
  347   2HB   SER  46          1HB       SER  46   9.130  -3.615   1.973
  348    HG   SER  46           HG       SER  46  11.070  -3.174   2.821
  349    H    ILE  47           HN       ILE  47   8.681  -3.191   6.325
  350    HA   ILE  47           HA       ILE  47   7.577  -0.623   5.602
  351    HB   ILE  47           HB       ILE  47   8.995  -1.390   8.165
  352   1HG1  ILE  47          2HG1      ILE  47   6.088  -1.692   7.321
  353   2HG1  ILE  47          1HG1      ILE  47   7.217  -3.004   7.644
  354   1HG2  ILE  47          3HG2      ILE  47   8.182   1.082   7.352
  355   2HG2  ILE  47          2HG2      ILE  47   6.700   0.490   8.103
  356   3HG2  ILE  47          1HG2      ILE  47   8.192   0.568   9.039
  357   1HD1  ILE  47          2HD1      ILE  47   7.448  -1.691   9.975
  358   2HD1  ILE  47          1HD1      ILE  47   5.803  -1.217   9.558
  359   3HD1  ILE  47          3HD1      ILE  47   6.217  -2.925   9.708
  360    H    MET  48           HN       MET  48  10.842  -1.704   6.544
  361    HA   MET  48           HA       MET  48  12.063   0.889   6.350
  362   1HB   MET  48          2HB       MET  48  13.061  -1.096   7.521
  363   2HB   MET  48          1HB       MET  48  13.379  -1.810   5.940
  364   1HG   MET  48          2HG       MET  48  14.543   0.502   5.454
  365   2HG   MET  48          1HG       MET  48  14.631   0.602   7.212
  366   1HE   MET  48          1HE       MET  48  17.004   0.960   6.108
  367   2HE   MET  48          3HE       MET  48  18.181  -0.350   5.940
  368   3HE   MET  48          2HE       MET  48  17.082   0.025   4.616
  369    H    GLY  49           HN       GLY  49  11.246  -1.553   3.975
  370   1HA   GLY  49          2HA       GLY  49  12.972  -0.531   1.880
  371   2HA   GLY  49          1HA       GLY  49  11.634  -1.655   1.655
  372    H    VAL  50           HN       VAL  50   9.600   0.020   2.841
  373    HA   VAL  50           HA       VAL  50   8.855   1.575   0.544
  374    HB   VAL  50           HB       VAL  50   7.773   1.782   3.372
  375   1HG1  VAL  50          1HG1      VAL  50   6.761   2.629   0.653
  376   2HG1  VAL  50          3HG1      VAL  50   5.671   2.398   2.021
  377   3HG1  VAL  50          2HG1      VAL  50   6.945   3.615   2.103
  378   1HG2  VAL  50          2HG2      VAL  50   7.844  -0.507   1.908
  379   2HG2  VAL  50          1HG2      VAL  50   6.526  -0.107   3.010
  380   3HG2  VAL  50          3HG2      VAL  50   6.359   0.210   1.284
  381    H    VAL  51           HN       VAL  51  10.404   2.408   3.616
  382    HA   VAL  51           HA       VAL  51  10.224   5.254   3.359
  383    HB   VAL  51           HB       VAL  51  12.423   3.657   4.708
  384   1HG1  VAL  51          2HG1      VAL  51  12.554   6.246   4.290
  385   2HG1  VAL  51          1HG1      VAL  51  11.351   6.328   5.578
  386   3HG1  VAL  51          3HG1      VAL  51  12.931   5.610   5.892
  387   1HG2  VAL  51          2HG2      VAL  51   9.589   4.263   5.450
  388   2HG2  VAL  51          1HG2      VAL  51  10.555   2.830   5.798
  389   3HG2  VAL  51          3HG2      VAL  51  10.804   4.308   6.727
  390    H    SER  52           HN       SER  52  12.394   2.878   1.952
  391    HA   SER  52           HA       SER  52  14.487   4.646   1.138
  392   1HB   SER  52          2HB       SER  52  15.202   2.886  -0.302
  393   2HB   SER  52          1HB       SER  52  14.472   2.081   1.083
  394    HG   SER  52           HG       SER  52  13.453   1.130  -0.547
  395    H    LEU  53           HN       LEU  53  11.348   3.880  -0.271
  396    HA   LEU  53           HA       LEU  53  11.862   5.230  -2.794
  397   1HB   LEU  53          2HB       LEU  53   9.337   4.290  -1.415
  398   2HB   LEU  53          1HB       LEU  53   9.312   5.123  -2.969
  399    HG   LEU  53           HG       LEU  53  11.239   3.233  -3.426
  400   1HD1  LEU  53          1HD1      LEU  53  10.286   2.386  -1.034
  401   2HD1  LEU  53          3HD1      LEU  53   9.168   1.556  -2.114
  402   3HD1  LEU  53          2HD1      LEU  53  10.904   1.288  -2.268
  403   1HD2  LEU  53          2HD2      LEU  53   8.236   2.999  -3.791
  404   2HD2  LEU  53          1HD2      LEU  53   9.379   3.720  -4.924
  405   3HD2  LEU  53          3HD2      LEU  53   9.420   1.984  -4.614
  406    H    GLY  54           HN       GLY  54   9.848   6.072   0.047
  407   1HA   GLY  54          2HA       GLY  54   9.453   8.187   1.009
  408   2HA   GLY  54          1HA       GLY  54  10.679   8.856  -0.069
  409    H    ILE  55           HN       ILE  55   7.394   7.438  -0.303
  410    HA   ILE  55           HA       ILE  55   6.786   8.935  -2.722
  411    HB   ILE  55           HB       ILE  55   4.870   7.546  -0.819
  412   1HG1  ILE  55          2HG1      ILE  55   5.840   6.319  -3.373
  413   2HG1  ILE  55          1HG1      ILE  55   6.908   6.258  -1.972
  414   1HG2  ILE  55          1HG2      ILE  55   4.686   8.590  -3.644
  415   2HG2  ILE  55          3HG2      ILE  55   3.614   7.312  -3.072
  416   3HG2  ILE  55          2HG2      ILE  55   3.599   8.892  -2.288
  417   1HD1  ILE  55          2HD1      ILE  55   4.022   5.462  -1.696
  418   2HD1  ILE  55          1HD1      ILE  55   5.196   4.317  -2.343
  419   3HD1  ILE  55          3HD1      ILE  55   5.406   4.971  -0.719
  420    H    ALA  56           HN       ALA  56   4.982  10.537  -2.810
  421    HA   ALA  56           HA       ALA  56   4.640  12.061  -0.269
  422   1HB   ALA  56          1HB       ALA  56   6.375  12.863  -2.258
  423   2HB   ALA  56          3HB       ALA  56   4.902  13.744  -2.668
  424   3HB   ALA  56          2HB       ALA  56   5.630  13.937  -1.073
  425    H    LYS  57           HN       LYS  57   3.059  14.087  -1.092
  426    HA   LYS  57           HA       LYS  57   0.557  12.730  -1.736
  427   1HB   LYS  57          2HB       LYS  57  -0.406  15.039  -1.561
  428   2HB   LYS  57          1HB       LYS  57   0.516  14.561  -0.137
  429   1HG   LYS  57          2HG       LYS  57   2.206  15.828  -2.166
  430   2HG   LYS  57          1HG       LYS  57   0.900  16.885  -1.635
  431   1HD   LYS  57          2HD       LYS  57   2.266  15.424   0.543
  432   2HD   LYS  57          1HD       LYS  57   3.272  16.598  -0.305
  433   1HE   LYS  57          2HE       LYS  57   1.057  18.092  -0.015
  434   2HE   LYS  57          1HE       LYS  57   0.860  17.040   1.387
  435   1HZ   LYS  57          3HZ       LYS  57   3.432  18.376   0.823
  436   2HZ   LYS  57          2HZ       LYS  57   2.198  19.172   1.677
  437   3HZ   LYS  57          1HZ       LYS  57   2.869  17.737   2.290
  438    H    GLY  58           HN       GLY  58  -0.620  12.895  -3.652
  439   1HA   GLY  58          2HA       GLY  58  -1.105  13.599  -5.874
  440   2HA   GLY  58          1HA       GLY  58   0.316  14.643  -5.825
  441    H    ALA  59           HN       ALA  59   0.158  11.166  -5.118
  442    HA   ALA  59           HA       ALA  59   1.864  10.683  -7.527
  443   1HB   ALA  59          1HB       ALA  59   2.929  10.622  -5.083
  444   2HB   ALA  59          3HB       ALA  59   2.227   9.004  -5.079
  445   3HB   ALA  59          2HB       ALA  59   3.403   9.452  -6.315
  446    H    GLU  60           HN       GLU  60   1.829   8.301  -8.145
  447    HA   GLU  60           HA       GLU  60  -0.823   7.076  -7.496
  448   1HB   GLU  60          2HB       GLU  60   0.492   7.588 -10.141
  449   2HB   GLU  60          1HB       GLU  60  -0.504   6.144  -9.959
  450   1HG   GLU  60          2HG       GLU  60  -2.195   7.876  -8.854
  451   2HG   GLU  60          1HG       GLU  60  -1.304   9.024  -9.852
  452    H    ILE  61           HN       ILE  61  -0.574   5.095  -6.612
  453    HA   ILE  61           HA       ILE  61   1.952   3.597  -7.190
  454    HB   ILE  61           HB       ILE  61   1.522   2.461  -4.994
  455   1HG1  ILE  61          2HG1      ILE  61  -0.594   4.615  -4.682
  456   2HG1  ILE  61          1HG1      ILE  61  -0.946   2.914  -4.992
  457   1HG2  ILE  61          1HG2      ILE  61   3.033   4.424  -5.182
  458   2HG2  ILE  61          3HG2      ILE  61   1.664   5.490  -4.866
  459   3HG2  ILE  61          2HG2      ILE  61   2.218   4.372  -3.619
  460   1HD1  ILE  61          2HD1      ILE  61   0.748   2.691  -2.871
  461   2HD1  ILE  61          1HD1      ILE  61  -0.027   4.231  -2.503
  462   3HD1  ILE  61          3HD1      ILE  61  -1.007   2.781  -2.714
  463    H    THR  62           HN       THR  62   1.764   1.498  -7.944
  464    HA   THR  62           HA       THR  62  -1.019   0.532  -8.451
  465    HB   THR  62           HB       THR  62   1.334  -0.620  -9.889
  466    HG1  THR  62           HG1      THR  62   1.722   1.146 -10.956
  467   1HG2  THR  62          2HG2      THR  62  -1.003  -1.423 -10.222
  468   2HG2  THR  62          1HG2      THR  62  -1.448   0.191 -10.776
  469   3HG2  THR  62          3HG2      THR  62  -0.293  -0.770 -11.698
  470    H    ILE  63           HN       ILE  63  -1.546  -0.911  -6.881
  471    HA   ILE  63           HA       ILE  63   0.523  -2.722  -5.778
  472    HB   ILE  63           HB       ILE  63  -2.379  -2.246  -5.015
  473   1HG1  ILE  63          2HG1      ILE  63   0.209  -1.487  -3.622
  474   2HG1  ILE  63          1HG1      ILE  63  -0.783  -0.377  -4.567
  475   1HG2  ILE  63          1HG2      ILE  63  -0.255  -4.074  -3.881
  476   2HG2  ILE  63          3HG2      ILE  63  -1.607  -3.504  -2.901
  477   3HG2  ILE  63          2HG2      ILE  63  -1.912  -4.474  -4.343
  478   1HD1  ILE  63          2HD1      ILE  63  -2.671  -1.399  -2.908
  479   2HD1  ILE  63          1HD1      ILE  63  -1.254  -1.499  -1.862
  480   3HD1  ILE  63          3HD1      ILE  63  -1.743   0.056  -2.538
  481    H    SER  64           HN       SER  64   0.117  -5.063  -5.728
  482    HA   SER  64           HA       SER  64  -1.943  -6.099  -7.571
  483   1HB   SER  64          2HB       SER  64   0.024  -7.527  -8.611
  484   2HB   SER  64          1HB       SER  64  -0.334  -5.921  -9.236
  485    HG   SER  64           HG       SER  64   1.921  -6.788  -8.189
  486    H    ALA  65           HN       ALA  65  -2.884  -7.486  -6.137
  487    HA   ALA  65           HA       ALA  65  -1.212  -9.088  -4.297
  488   1HB   ALA  65          2HB       ALA  65  -3.395  -8.003  -3.588
  489   2HB   ALA  65          1HB       ALA  65  -4.223  -9.155  -4.634
  490   3HB   ALA  65          3HB       ALA  65  -3.287  -9.732  -3.256
  491    H    SER  66           HN       SER  66  -0.555 -11.120  -4.855
  492    HA   SER  66           HA       SER  66  -2.207 -12.668  -6.792
  493   1HB   SER  66          2HB       SER  66   0.718 -12.968  -7.066
  494   2HB   SER  66          1HB       SER  66  -0.529 -12.964  -8.304
  495    HG   SER  66           HG       SER  66   0.095 -10.992  -8.649
  496    H    GLY  67           HN       GLY  67  -2.839 -14.372  -5.554
  497   1HA   GLY  67          2HA       GLY  67  -1.074 -16.413  -4.734
  498   2HA   GLY  67          1HA       GLY  67  -1.362 -15.400  -3.318
  499    H    ALA  68           HN       ALA  68  -2.653 -16.828  -2.146
  500    HA   ALA  68           HA       ALA  68  -4.921 -18.193  -3.405
  501   1HB   ALA  68          3HB       ALA  68  -3.936 -17.984  -0.550
  502   2HB   ALA  68          2HB       ALA  68  -5.403 -18.858  -0.989
  503   3HB   ALA  68          1HB       ALA  68  -3.842 -19.379  -1.624
  504    H    ASP  69           HN       ASP  69  -4.722 -15.936  -0.630
  505    HA   ASP  69           HA       ASP  69  -7.480 -15.023  -1.264
  506   1HB   ASP  69          2HB       ASP  69  -7.303 -13.879   0.976
  507   2HB   ASP  69          1HB       ASP  69  -7.140 -15.633   1.055
  508    H    GLU  70           HN       GLU  70  -5.447 -14.212  -3.047
  509    HA   GLU  70           HA       GLU  70  -4.254 -11.708  -2.481
  510   1HB   GLU  70          2HB       GLU  70  -4.350 -11.379  -5.022
  511   2HB   GLU  70          1HB       GLU  70  -3.491 -12.797  -4.432
  512   1HG   GLU  70          2HG       GLU  70  -4.808 -14.075  -5.736
  513   2HG   GLU  70          1HG       GLU  70  -6.183 -13.615  -4.743
  514    H    ASN  71           HN       ASN  71  -7.433 -12.327  -4.047
  515    HA   ASN  71           HA       ASN  71  -8.137  -9.593  -4.397
  516   1HB   ASN  71          2HB       ASN  71  -9.637 -12.171  -4.250
  517   2HB   ASN  71          1HB       ASN  71 -10.559 -10.675  -4.096
  518   1HD2  ASN  71          2HD2      ASN  71  -9.376  -9.564  -7.432
  519   2HD2  ASN  71          1HD2      ASN  71  -9.353  -8.941  -5.853
  520    H    ASP  72           HN       ASP  72  -8.507 -11.763  -1.625
  521    HA   ASP  72           HA       ASP  72 -10.124  -9.927  -0.077
  522   1HB   ASP  72          2HB       ASP  72  -8.409 -12.225   0.898
  523   2HB   ASP  72          1HB       ASP  72  -9.734 -11.460   1.774
  524    H    ALA  73           HN       ALA  73  -6.689 -10.236  -0.621
  525    HA   ALA  73           HA       ALA  73  -5.938  -8.777   1.796
  526   1HB   ALA  73          3HB       ALA  73  -4.474 -10.445   0.524
  527   2HB   ALA  73          2HB       ALA  73  -4.218  -9.154  -0.651
  528   3HB   ALA  73          1HB       ALA  73  -3.707  -8.937   1.023
  529    H    LEU  74           HN       LEU  74  -6.038  -7.961  -1.697
  530    HA   LEU  74           HA       LEU  74  -5.135  -5.288  -1.388
  531   1HB   LEU  74          2HB       LEU  74  -6.196  -4.868  -3.595
  532   2HB   LEU  74          1HB       LEU  74  -5.214  -6.328  -3.573
  533    HG   LEU  74           HG       LEU  74  -7.576  -7.407  -2.873
  534   1HD1  LEU  74          2HD1      LEU  74  -8.395  -4.859  -3.311
  535   2HD1  LEU  74          1HD1      LEU  74  -8.553  -5.507  -4.946
  536   3HD1  LEU  74          3HD1      LEU  74  -9.426  -6.259  -3.609
  537   1HD2  LEU  74          1HD2      LEU  74  -6.229  -6.875  -5.478
  538   2HD2  LEU  74          3HD2      LEU  74  -6.578  -8.412  -4.691
  539   3HD2  LEU  74          2HD2      LEU  74  -7.859  -7.546  -5.539
  540    H    ASN  75           HN       ASN  75  -8.491  -6.547  -1.394
  541    HA   ASN  75           HA       ASN  75  -9.647  -3.924  -1.061
  542   1HB   ASN  75          2HB       ASN  75 -11.738  -5.078  -0.536
  543   2HB   ASN  75          1HB       ASN  75 -10.964  -5.849  -1.916
  544   1HD2  ASN  75          2HD2      ASN  75 -11.973  -8.236   1.001
  545   2HD2  ASN  75          1HD2      ASN  75 -12.764  -6.814   0.518
  546    H    ALA  76           HN       ALA  76  -8.279  -6.264   1.163
  547    HA   ALA  76           HA       ALA  76  -9.448  -5.244   3.581
  548   1HB   ALA  76          3HB       ALA  76  -7.835  -7.342   3.053
  549   2HB   ALA  76          2HB       ALA  76  -6.631  -6.208   3.656
  550   3HB   ALA  76          1HB       ALA  76  -8.001  -6.662   4.669
  551    H    LEU  77           HN       LEU  77  -6.257  -4.577   2.087
  552    HA   LEU  77           HA       LEU  77  -5.558  -2.456   3.866
  553   1HB   LEU  77          2HB       LEU  77  -4.695  -2.770   0.981
  554   2HB   LEU  77          1HB       LEU  77  -3.842  -1.896   2.251
  555    HG   LEU  77           HG       LEU  77  -4.354  -4.579   3.172
  556   1HD1  LEU  77          2HD1      LEU  77  -4.312  -4.725   0.496
  557   2HD1  LEU  77          1HD1      LEU  77  -2.572  -4.706   0.785
  558   3HD1  LEU  77          3HD1      LEU  77  -3.574  -5.963   1.512
  559   1HD2  LEU  77          1HD2      LEU  77  -1.873  -3.004   2.435
  560   2HD2  LEU  77          3HD2      LEU  77  -2.546  -3.261   4.044
  561   3HD2  LEU  77          2HD2      LEU  77  -1.811  -4.605   3.172
  562    H    GLU  78           HN       GLU  78  -7.560  -2.543   0.974
  563    HA   GLU  78           HA       GLU  78  -7.563   0.251   0.372
  564   1HB   GLU  78          2HB       GLU  78  -8.485  -1.525  -1.120
  565   2HB   GLU  78          1HB       GLU  78  -9.829  -1.732   0.000
  566   1HG   GLU  78          2HG       GLU  78 -10.844   0.213  -0.643
  567   2HG   GLU  78          1HG       GLU  78  -9.312   1.054  -0.875
  568    H    GLU  79           HN       GLU  79  -9.937  -1.640   2.296
  569    HA   GLU  79           HA       GLU  79 -11.486   0.592   3.133
  570   1HB   GLU  79          2HB       GLU  79 -12.242  -0.915   4.985
  571   2HB   GLU  79          1HB       GLU  79 -12.316  -1.678   3.397
  572   1HG   GLU  79          2HG       GLU  79 -10.380  -2.975   3.798
  573   2HG   GLU  79          1HG       GLU  79  -9.890  -1.973   5.166
  574    H    THR  80           HN       THR  80  -8.433  -0.669   4.308
  575    HA   THR  80           HA       THR  80  -8.459   0.744   6.839
  576    HB   THR  80           HB       THR  80  -6.067  -0.196   5.226
  577    HG1  THR  80           HG1      THR  80  -7.505  -1.542   7.262
  578   1HG2  THR  80          3HG2      THR  80  -6.448   0.327   8.187
  579   2HG2  THR  80          2HG2      THR  80  -4.975  -0.286   7.436
  580   3HG2  THR  80          1HG2      THR  80  -5.537   1.347   7.074
  581    H    MET  81           HN       MET  81  -7.431   1.481   3.560
  582    HA   MET  81           HA       MET  81  -6.056   3.945   4.200
  583   1HB   MET  81          2HB       MET  81  -7.298   2.984   1.601
  584   2HB   MET  81          1HB       MET  81  -6.207   4.359   1.754
  585   1HG   MET  81          2HG       MET  81  -5.356   1.689   2.827
  586   2HG   MET  81          1HG       MET  81  -5.249   1.996   1.094
  587   1HE   MET  81          2HE       MET  81  -3.272   2.543   0.142
  588   2HE   MET  81          1HE       MET  81  -3.951   4.168   0.074
  589   3HE   MET  81          3HE       MET  81  -2.259   3.931   0.532
  590    H    LYS  82           HN       LYS  82  -9.372   3.050   3.455
  591    HA   LYS  82           HA       LYS  82 -10.270   5.824   3.181
  592   1HB   LYS  82          2HB       LYS  82 -11.687   3.155   3.286
  593   2HB   LYS  82          1HB       LYS  82 -12.568   4.683   3.235
  594   1HG   LYS  82          2HG       LYS  82 -11.921   5.146   1.070
  595   2HG   LYS  82          1HG       LYS  82 -10.389   4.287   1.234
  596   1HD   LYS  82          2HD       LYS  82 -11.474   2.148   1.050
  597   2HD   LYS  82          1HD       LYS  82 -13.072   2.885   1.171
  598   1HE   LYS  82          2HE       LYS  82 -11.321   3.890  -1.011
  599   2HE   LYS  82          1HE       LYS  82 -11.938   2.248  -1.194
  600   1HZ   LYS  82          2HZ       LYS  82 -13.694   4.518  -0.477
  601   2HZ   LYS  82          1HZ       LYS  82 -13.369   4.107  -2.093
  602   3HZ   LYS  82          3HZ       LYS  82 -14.139   2.991  -1.075
  603    H    SER  83           HN       SER  83  -9.858   3.543   5.777
  604    HA   SER  83           HA       SER  83 -11.807   4.476   7.620
  605   1HB   SER  83          2HB       SER  83 -10.486   3.415   9.319
  606   2HB   SER  83          1HB       SER  83 -10.310   2.438   7.864
  607    HG   SER  83           HG       SER  83  -8.349   3.169   9.154
  608    H    GLU  84           HN       GLU  84  -8.522   5.655   6.931
  609    HA   GLU  84           HA       GLU  84  -9.072   7.983   8.726
  610   1HB   GLU  84          2HB       GLU  84  -6.481   6.707   7.823
  611   2HB   GLU  84          1HB       GLU  84  -6.543   8.282   8.614
  612   1HG   GLU  84          2HG       GLU  84  -8.009   6.026   9.909
  613   2HG   GLU  84          1HG       GLU  84  -6.248   6.028  10.019
  614    H    GLY  85           HN       GLY  85  -7.472   7.130   5.641
  615   1HA   GLY  85          2HA       GLY  85  -8.317   8.477   3.653
  616   2HA   GLY  85          1HA       GLY  85  -8.103   9.894   4.682
  617    H    LEU  86           HN       LEU  86  -6.086   7.032   3.941
  618    HA   LEU  86           HA       LEU  86  -3.691   8.736   3.856
  619   1HB   LEU  86          2HB       LEU  86  -4.130   5.762   3.511
  620   2HB   LEU  86          1HB       LEU  86  -2.547   6.527   3.373
  621    HG   LEU  86           HG       LEU  86  -4.347   6.751   5.802
  622   1HD1  LEU  86          3HD1      LEU  86  -3.198   4.459   5.123
  623   2HD1  LEU  86          2HD1      LEU  86  -1.759   5.247   5.769
  624   3HD1  LEU  86          1HD1      LEU  86  -3.174   5.015   6.796
  625   1HD2  LEU  86          2HD2      LEU  86  -1.612   7.768   5.061
  626   2HD2  LEU  86          1HD2      LEU  86  -2.938   8.625   5.846
  627   3HD2  LEU  86          3HD2      LEU  86  -1.998   7.440   6.750
  628    H    GLY  87           HN       GLY  87  -5.017   6.288   1.591
  629   1HA   GLY  87          2HA       GLY  87  -4.507   8.162  -0.655
  630   2HA   GLY  87          1HA       GLY  87  -3.688   6.600  -0.696
  631    H    GLU  88           HN       GLU  88  -6.369   8.177  -1.801
  632    HA   GLU  88           HA       GLU  88  -7.741   5.604  -2.356
  633   1HB   GLU  88          2HB       GLU  88  -9.953   6.724  -1.884
  634   2HB   GLU  88          1HB       GLU  88  -8.969   6.435  -0.451
  635   1HG   GLU  88          2HG       GLU  88  -8.452   9.030  -1.759
  636   2HG   GLU  88          1HG       GLU  88 -10.085   8.861  -1.117
   
  No H/Q in entry =         636